#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su1 s MET 2 N 0.00 0.08 -0.08 3.17 -2.45 -1.26 -5.04 119.30 113.72 1su1 s MET 2 Ca 0.00 0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.71 1su1 s MET 2 Cb 0.00 -0.09 0.01 0.00 1.25 0.00 0.00 34.83 36.00 1su1 s MET 2 CO 0.00 -0.10 -0.17 0.21 1.05 0.00 0.00 175.02 176.01 1su1 s LYS 3 N 0.66 2.25 0.02 4.11 2.20 -1.26 -1.27 119.74 126.44 1su1 s LYS 3 Ca -0.05 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 1su1 s LYS 3 Cb -0.07 -1.79 -0.01 0.00 -1.51 0.00 0.00 37.83 34.45 1su1 s LYS 3 CO -0.03 0.06 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.45 1su1 s LEU 4 N 0.61 2.13 -0.07 5.43 1.43 -0.71 -2.17 118.68 125.33 1su1 s LEU 4 Ca -0.15 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1su1 s LEU 4 Cb -0.16 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.82 1su1 s LEU 4 CO 0.05 -0.07 -0.07 -0.32 0.23 0.00 0.00 176.35 176.16 1su1 s MET 5 N -0.84 2.80 -0.07 1.70 -2.45 -1.04 0.03 119.30 119.42 1su1 s MET 5 Ca -0.04 -0.56 0.05 0.00 -1.25 0.00 0.00 55.69 53.89 1su1 s MET 5 Cb -0.06 -2.59 -0.01 0.00 1.25 0.00 0.00 34.83 33.42 1su1 s MET 5 CO 0.00 0.63 -0.24 -0.06 1.05 0.00 0.00 175.02 176.39 1su1 s PHE 6 N -0.71 2.42 -0.02 4.11 0.40 0.66 -0.04 117.98 124.81 1su1 s PHE 6 Ca 0.11 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.67 1su1 s PHE 6 Cb -0.11 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.82 1su1 s PHE 6 CO 0.02 -0.26 -0.07 0.00 0.70 0.00 0.00 175.22 175.60 1su1 s ALA 7 N -0.03 0.71 0.05 5.36 0.00 -0.49 -0.66 121.76 126.71 1su1 s ALA 7 Ca -0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1su1 s ALA 7 Cb -0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1su1 s ALA 7 CO 0.05 0.12 0.07 0.45 0.00 0.00 0.00 175.76 176.45 1su1 s SER 8 N 0.12 0.26 -1.17 0.00 0.15 -1.26 -1.27 113.70 110.54 1su1 s SER 8 Ca -0.01 -0.69 -0.24 0.00 0.70 0.00 0.00 55.95 55.71 1su1 s SER 8 Cb -0.07 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1su1 s SER 8 CO 0.00 -0.56 0.75 0.47 1.20 0.00 0.00 173.24 175.10 1su1 n ASP 9 N 0.48 -4.84 -0.06 5.45 8.00 -0.85 -2.16 116.55 122.57 1su1 n ASP 9 Ca -0.17 -1.09 -0.15 0.00 0.71 0.00 0.00 54.79 54.09 1su1 n ASP 9 Cb 0.60 -2.95 -0.06 0.00 -0.02 0.00 0.00 41.12 38.69 1su1 n ASP 9 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1su1 h ILE 10 N -2.08 1.32 -5.60 0.53 2.04 -1.52 -3.33 117.51 108.88 1su1 h ILE 10 Ca -0.68 -1.65 -0.42 0.00 1.00 0.00 0.00 64.86 63.11 1su1 h ILE 10 Cb 1.37 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 39.24 1su1 h ILE 10 CO 0.50 0.52 -0.63 1.41 0.00 0.00 0.00 178.15 179.94 1su1 n HIS 11 N -4.21 -1.92 -0.99 1.37 8.25 -0.32 -2.32 115.22 115.08 1su1 n HIS 11 Ca -0.06 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 1su1 n HIS 11 Cb 0.55 -3.38 0.00 0.00 1.12 0.00 0.00 29.99 28.29 1su1 n HIS 11 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1su1 n GLY 12 N -1.35 0.56 3.60 -1.41 0.00 0.45 -3.91 105.19 103.13 1su1 n GLY 12 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1su1 n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1su1 s SER 13 N -2.20 6.32 0.19 1.61 0.15 -0.98 -0.95 113.70 117.83 1su1 s SER 13 Ca 0.00 0.79 -0.09 0.00 0.70 0.00 0.00 55.95 57.35 1su1 s SER 13 Cb 0.00 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1su1 s SER 13 CO 0.00 -1.45 1.69 0.25 1.20 0.00 0.00 173.24 174.93 1su1 h LEU 14 N 12.26 1.02 -0.10 3.45 5.85 -1.44 -2.39 115.31 133.96 1su1 h LEU 14 Ca -0.27 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1su1 h LEU 14 Cb 1.10 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1su1 h LEU 14 CO 1.09 1.01 0.06 -0.65 -0.34 0.00 0.00 178.44 179.61 1su1 h PRO 15 N 0.99 0.13 -0.85 5.25 0.11 -1.82 -0.07 132.00 135.75 1su1 h PRO 15 Ca 0.20 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.37 1su1 h PRO 15 Cb 0.41 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.43 1su1 h PRO 15 CO 0.01 0.13 0.52 0.00 -0.21 0.00 0.00 178.00 178.45 1su1 h ALA 16 N 1.00 1.17 -0.19 -0.75 0.00 -1.84 -2.17 119.26 116.49 1su1 h ALA 16 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1su1 h ALA 16 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1su1 h ALA 16 CO -0.01 0.24 0.09 1.15 0.00 0.00 0.00 179.25 180.73 1su1 h THR 17 N 0.93 1.12 -0.55 0.00 2.02 -0.88 -0.16 112.91 115.39 1su1 h THR 17 Ca 0.38 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1su1 h THR 17 Cb 0.20 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1su1 h THR 17 CO -0.18 0.11 0.16 -0.33 0.37 0.00 0.00 175.52 175.65 1su1 h GLU 18 N 0.18 0.83 -0.24 6.66 5.08 -0.74 -1.39 114.58 124.97 1su1 h GLU 18 Ca 0.06 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1su1 h GLU 18 Cb 0.10 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1su1 h GLU 18 CO -0.01 0.73 -0.23 -0.09 -1.00 0.00 0.00 179.01 178.42 1su1 h ARG 19 N 0.81 0.58 -0.48 2.33 9.65 -1.22 -1.64 114.38 124.41 1su1 h ARG 19 Ca 0.18 -0.30 0.06 0.00 -1.10 0.00 0.00 59.98 58.82 1su1 h ARG 19 Cb 0.26 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 1su1 h ARG 19 CO -0.01 0.89 0.18 0.28 2.80 0.00 0.00 179.97 184.12 1su1 h VAL 20 N 0.29 0.86 -0.18 0.20 2.07 -0.80 -0.78 116.25 117.91 1su1 h VAL 20 Ca 0.04 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1su1 h VAL 20 Cb 0.78 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1su1 h VAL 20 CO 0.06 0.07 -0.20 -0.07 0.02 0.00 0.00 177.57 177.44 1su1 h LEU 21 N 0.36 0.30 -0.07 2.57 4.07 -1.12 0.20 115.31 121.63 1su1 h LEU 21 Ca 0.22 -0.08 -0.25 0.00 0.08 0.00 0.00 57.88 57.85 1su1 h LEU 21 Cb 0.22 -0.08 0.02 0.00 1.08 0.00 0.00 40.66 41.89 1su1 h LEU 21 CO -0.22 0.51 -0.99 1.05 -1.08 0.00 0.00 178.44 177.71 1su1 h GLU 22 N 0.28 0.64 -0.77 1.13 4.11 -0.75 -2.08 114.58 117.14 1su1 h GLU 22 Ca 0.05 -0.67 -0.05 0.00 0.07 0.00 0.00 59.36 58.76 1su1 h GLU 22 Cb 0.52 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1su1 h GLU 22 CO 0.03 1.26 0.29 -0.07 0.07 0.00 0.00 179.01 180.60 1su1 h LEU 23 N 0.37 1.09 -0.54 3.06 3.38 -0.96 -2.33 115.31 119.38 1su1 h LEU 23 Ca -0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1su1 h LEU 23 Cb 1.64 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 1su1 h LEU 23 CO 0.19 0.98 0.32 0.15 0.09 0.00 0.00 178.44 180.16 1su1 h PHE 24 N 1.13 0.72 0.00 1.13 3.57 -0.53 -0.59 116.94 122.38 1su1 h PHE 24 Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1su1 h PHE 24 Cb 0.25 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1su1 h PHE 24 CO 0.02 0.50 -0.04 0.00 -2.23 0.00 0.00 178.31 176.56 1su1 h ALA 25 N 1.15 1.81 0.00 2.41 0.00 -0.99 -2.75 119.26 120.89 1su1 h ALA 25 Ca 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1su1 h ALA 25 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1su1 h ALA 25 CO -0.03 0.05 -1.12 1.96 0.00 0.00 0.00 179.25 180.11 1su1 h GLN 26 N 0.00 0.00 -0.46 0.00 4.20 -0.84 -3.39 115.11 114.62 1su1 h GLN 26 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1su1 h GLN 26 Cb 0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1su1 h GLN 26 CO 0.01 0.11 0.12 0.66 -0.67 0.00 0.00 178.83 179.05 1su1 h SER 27 N 0.00 0.63 -0.02 1.46 4.64 -0.81 -3.47 113.55 115.98 1su1 h SER 27 Ca -0.06 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1su1 h SER 27 Cb 1.21 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1su1 h SER 27 CO 0.02 0.62 -0.01 0.61 -0.87 0.00 0.00 176.83 177.20 1su1 n GLY 28 N -0.98 0.47 3.77 -0.77 0.00 -1.25 -5.01 105.19 101.42 1su1 n GLY 28 Ca 0.03 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1su1 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su1 s ALA 29 N -1.96 3.16 0.21 4.61 0.00 -1.26 -4.95 121.76 121.57 1su1 s ALA 29 Ca 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.69 1su1 s ALA 29 Cb 0.00 -3.30 0.16 0.00 0.00 0.00 0.00 23.12 19.98 1su1 s ALA 29 CO 0.00 -0.26 1.63 1.96 0.00 0.00 0.00 175.76 179.09 1su1 h GLN 30 N 2.81 0.84 -4.47 0.00 7.50 -1.83 -3.46 115.11 116.50 1su1 h GLN 30 Ca -0.48 -0.33 -0.24 0.00 0.50 0.00 0.00 58.65 58.11 1su1 h GLN 30 Cb 1.22 -0.04 -0.19 0.00 0.05 0.00 0.00 27.48 28.51 1su1 h GLN 30 CO 0.63 0.96 -0.72 -1.58 -1.50 0.00 0.00 178.83 176.62 1su1 s TRP 31 N -4.68 0.65 -0.33 2.96 0.52 -1.26 -4.95 118.94 111.85 1su1 s TRP 31 Ca -0.10 -0.64 -0.09 0.00 0.02 0.00 0.00 56.10 55.29 1su1 s TRP 31 Cb 0.13 -0.39 0.01 0.00 -1.15 0.00 0.00 33.47 32.06 1su1 s TRP 31 CO 0.84 -0.14 0.15 -1.17 0.02 0.00 0.00 176.95 176.65 1su1 s LEU 32 N -1.98 4.22 -0.47 2.99 2.96 -0.42 -2.51 118.68 123.47 1su1 s LEU 32 Ca -0.05 -0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 52.97 1su1 s LEU 32 Cb -0.05 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.72 1su1 s LEU 32 CO -0.02 -0.25 0.48 -0.69 -1.32 0.00 0.00 176.35 174.56 1su1 s VAL 33 N 1.56 5.07 -0.35 1.68 1.01 0.95 -1.79 120.40 128.53 1su1 s VAL 33 Ca 0.03 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1su1 s VAL 33 Cb -0.18 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1su1 s VAL 33 CO 0.05 -0.62 0.52 -0.63 0.00 0.00 0.00 175.10 174.43 1su1 s ILE 34 N 2.11 5.01 -0.81 2.22 1.01 -0.47 -1.39 121.20 128.87 1su1 s ILE 34 Ca 0.10 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.14 1su1 s ILE 34 Cb -0.21 -3.98 0.24 0.00 0.01 0.00 0.00 42.46 38.53 1su1 s ILE 34 CO 0.10 -0.23 0.87 0.18 0.00 0.00 0.00 174.94 175.86 1su1 n LEU 35 N 5.77 2.35 0.00 2.97 4.77 -0.39 -2.02 117.00 130.44 1su1 n LEU 35 Ca -0.04 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1su1 n LEU 35 Cb 0.49 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1su1 n LEU 35 CO 0.45 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1su1 n GLY 36 N 0.19 2.31 2.25 -0.72 0.00 -1.11 -4.18 105.19 103.93 1su1 n GLY 36 Ca 0.08 -1.83 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 1su1 n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1su1 n ASP 37 N 0.00 -4.82 -0.06 1.61 9.92 -1.26 -2.00 116.55 119.94 1su1 n ASP 37 Ca 0.00 -0.01 -0.04 0.00 -0.53 0.00 0.00 54.79 54.21 1su1 n ASP 37 Cb 0.00 -3.09 -0.02 0.00 -0.64 0.00 0.00 41.12 37.37 1su1 n ASP 37 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1su1 h VAL 38 N 0.27 0.17 0.00 2.53 2.07 -1.94 -0.59 116.25 118.77 1su1 h VAL 38 Ca 0.00 -1.15 -0.27 0.00 0.82 0.00 0.00 66.70 66.09 1su1 h VAL 38 Cb 0.96 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1su1 h VAL 38 CO 0.14 0.06 -2.04 0.18 0.02 0.00 0.00 177.57 175.93 1su1 n LEU 39 N -4.69 1.61 -4.71 2.57 4.77 -1.26 -0.41 117.00 114.88 1su1 n LEU 39 Ca -0.05 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 1su1 n LEU 39 Cb 0.17 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1su1 n LEU 39 CO 0.07 0.61 0.75 0.21 -1.33 0.00 0.00 177.39 177.70 1su1 s ASN 40 N -5.35 7.29 0.46 -1.43 2.47 -1.26 -3.06 114.94 114.06 1su1 s ASN 40 Ca -0.17 1.81 0.21 0.00 0.42 0.00 0.00 52.86 55.13 1su1 s ASN 40 Cb 0.05 -2.58 1.12 0.00 -1.45 0.00 0.00 41.25 38.39 1su1 s ASN 40 CO 0.51 -0.30 1.96 1.12 -3.72 0.00 0.00 177.10 176.67 1su1 h HIS 41 N 6.58 0.00 -0.10 0.43 2.07 -1.94 -3.40 115.15 118.78 1su1 h HIS 41 Ca -0.42 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1su1 h HIS 41 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1su1 h HIS 41 CO 0.67 0.21 0.00 0.41 -3.07 0.00 0.00 177.93 176.15 1su1 n GLY 42 N -0.56 0.67 0.41 6.13 0.00 -1.26 -4.42 105.19 106.15 1su1 n GLY 42 Ca -0.02 -1.20 0.22 0.00 0.00 0.00 0.00 46.02 45.02 1su1 n GLY 42 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1su1 h PRO 43 N 0.00 0.00 0.00 1.61 0.11 -1.99 -0.60 132.00 131.12 1su1 h PRO 43 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1su1 h PRO 43 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1su1 h PRO 43 CO 0.00 0.00 -0.83 0.54 -0.21 0.00 0.00 178.00 177.50 1su1 n ARG 44 N -3.67 0.15 -3.96 1.05 1.74 -1.26 -4.93 116.66 105.78 1su1 n ARG 44 Ca 0.09 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1su1 n ARG 44 Cb 0.73 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1su1 n ARG 44 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1su1 s ASN 45 N -3.51 6.14 0.59 0.55 0.01 -0.23 -5.09 114.94 113.39 1su1 s ASN 45 Ca 0.07 0.23 -0.14 0.00 -0.71 0.00 0.00 52.86 52.30 1su1 s ASN 45 Cb 0.16 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.92 1su1 s ASN 45 CO 0.77 0.20 1.03 0.00 -1.51 0.00 0.00 177.10 177.60 1su1 s ALA 46 N -1.41 2.88 0.43 0.60 0.00 -1.26 -4.74 121.76 118.25 1su1 s ALA 46 Ca 0.31 0.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.23 1su1 s ALA 46 Cb -0.13 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1su1 s ALA 46 CO 0.23 -0.69 1.14 1.28 0.00 0.00 0.00 175.76 177.72 1su1 n LEU 47 N -2.20 3.39 -4.85 0.00 4.77 -1.26 -4.97 117.00 111.88 1su1 n LEU 47 Ca 0.07 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 1su1 n LEU 47 Cb 0.53 -1.43 0.17 0.00 -2.33 0.00 0.00 43.42 40.36 1su1 n LEU 47 CO 0.50 -1.07 0.79 -2.84 -1.33 0.00 0.00 177.39 173.44 1su1 s PRO 48 N -2.14 0.70 0.09 3.23 0.02 -1.26 -4.98 135.00 130.65 1su1 s PRO 48 Ca 0.63 -0.12 -0.31 0.00 0.02 0.00 0.00 61.00 61.22 1su1 s PRO 48 Cb -0.53 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.10 1su1 s PRO 48 CO 0.57 -2.42 1.24 -1.21 -0.33 0.00 0.00 177.00 174.85 1su1 s GLU 49 N -5.64 4.41 -0.87 5.54 2.02 -1.26 -3.31 118.70 119.59 1su1 s GLU 49 Ca 0.69 1.85 -0.03 0.00 0.02 0.00 0.00 54.97 57.50 1su1 s GLU 49 Cb -0.08 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1su1 s GLU 49 CO 0.53 -0.28 0.43 0.41 0.02 0.00 0.00 175.26 176.37 1su1 n GLY 50 N 3.16 0.02 3.60 -1.39 0.00 -1.26 -4.49 105.19 104.83 1su1 n GLY 50 Ca 0.09 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1su1 n GLY 50 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1su1 s TYR 51 N -2.97 1.32 -0.43 1.61 5.04 -1.21 -1.35 117.35 119.36 1su1 s TYR 51 Ca 0.21 0.58 0.08 0.00 -2.44 0.00 0.00 57.07 55.50 1su1 s TYR 51 Cb -0.09 -3.97 0.28 0.00 0.35 0.00 0.00 41.96 38.52 1su1 s TYR 51 CO 0.26 -3.77 0.80 0.00 -1.34 0.00 0.00 175.55 171.50 1su1 n ALA 52 N 11.43 0.42 -0.30 3.97 0.00 -0.13 -4.93 120.51 130.98 1su1 n ALA 52 Ca 0.28 -2.34 0.06 0.00 0.00 0.00 0.00 53.44 51.44 1su1 n ALA 52 Cb 0.46 -1.08 0.16 0.00 0.00 0.00 0.00 19.45 18.99 1su1 n ALA 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1su1 h PRO 53 N 3.62 0.03 -0.62 0.00 0.11 -1.85 -0.40 132.00 132.89 1su1 h PRO 53 Ca -0.03 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.15 1su1 h PRO 53 Cb 0.99 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 1su1 h PRO 53 CO 0.36 0.02 0.30 0.00 -0.21 0.00 0.00 178.00 178.47 1su1 h ALA 54 N 1.85 0.82 -0.07 -0.75 0.00 -1.95 -1.83 119.26 117.33 1su1 h ALA 54 Ca 0.45 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.18 1su1 h ALA 54 Cb 0.77 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1su1 h ALA 54 CO -0.84 -0.06 -0.87 -0.22 0.00 0.00 0.00 179.25 177.25 1su1 h LYS 55 N 0.55 0.60 -0.99 0.00 1.63 -1.54 -3.10 116.57 113.72 1su1 h LYS 55 Ca 0.29 -0.56 0.13 0.00 -0.85 0.00 0.00 60.65 59.67 1su1 h LYS 55 Cb 0.26 0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 31.94 1su1 h LYS 55 CO -0.22 1.17 0.62 0.28 -3.45 0.00 0.00 179.45 177.85 1su1 h VAL 56 N 0.38 0.87 -0.01 2.00 2.07 -0.76 -1.81 116.25 118.99 1su1 h VAL 56 Ca -0.07 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1su1 h VAL 56 Cb 1.49 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1su1 h VAL 56 CO 0.16 0.17 -0.06 0.58 0.02 0.00 0.00 177.57 178.44 1su1 h VAL 57 N 0.92 0.83 -0.54 2.57 2.07 -1.28 -0.51 116.25 120.32 1su1 h VAL 57 Ca 0.51 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.11 1su1 h VAL 57 Cb 0.59 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1su1 h VAL 57 CO -0.28 0.00 0.17 -0.33 0.02 0.00 0.00 177.57 177.16 1su1 h GLU 58 N -0.11 0.33 -0.11 1.57 5.08 -1.34 -2.00 114.58 118.01 1su1 h GLU 58 Ca 0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1su1 h GLU 58 Cb 0.14 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1su1 h GLU 58 CO -0.07 0.22 0.01 0.00 -1.00 0.00 0.00 179.01 178.16 1su1 h ARG 59 N 0.34 0.19 -0.55 2.33 2.47 -1.05 -3.15 114.38 114.95 1su1 h ARG 59 Ca 0.27 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.90 1su1 h ARG 59 Cb 0.33 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 1su1 h ARG 59 CO -0.29 0.41 0.20 -0.07 0.56 0.00 0.00 179.97 180.78 1su1 h LEU 60 N -0.06 0.74 -2.56 3.04 3.38 -0.97 -2.45 115.31 116.44 1su1 h LEU 60 Ca 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1su1 h LEU 60 Cb 0.32 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1su1 h LEU 60 CO 0.00 0.69 -0.01 0.78 0.09 0.00 0.00 178.44 179.99 1su1 h ASN 61 N 0.80 0.00 0.19 -0.43 2.35 -1.32 -2.05 115.58 115.12 1su1 h ASN 61 Ca 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1su1 h ASN 61 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1su1 h ASN 61 CO -0.01 0.01 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.28 1su1 h GLU 62 N 0.00 0.00 -0.12 0.81 5.08 -1.42 -2.75 114.58 116.18 1su1 h GLU 62 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1su1 h GLU 62 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1su1 h GLU 62 CO 0.00 0.16 -0.10 1.33 -1.00 0.00 0.00 179.01 179.41 1su1 n VAL 63 N -4.22 2.15 -0.33 3.13 0.24 -0.79 -4.81 118.33 113.70 1su1 n VAL 63 Ca -0.02 -2.41 0.18 0.00 -2.04 0.00 0.00 64.34 60.05 1su1 n VAL 63 Cb 0.23 -0.26 0.39 0.00 -1.47 0.00 0.00 33.84 32.74 1su1 n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su1 h ALA 64 N 0.79 1.74 0.00 2.33 0.00 -1.33 0.46 119.26 123.25 1su1 h ALA 64 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1su1 h ALA 64 Cb 1.22 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1su1 h ALA 64 CO 0.12 -0.39 0.00 0.72 0.00 0.00 0.00 179.25 179.70 1su1 n HIS 65 N -4.99 0.00 -0.74 0.00 8.25 -1.26 -2.53 115.22 113.95 1su1 n HIS 65 Ca 0.27 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.77 1su1 n HIS 65 Cb 0.80 -0.17 0.05 0.00 1.12 0.00 0.00 29.99 31.79 1su1 n HIS 65 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1su1 n LYS 66 N -1.17 1.65 -4.01 -0.41 5.02 0.15 -5.04 118.16 114.35 1su1 n LYS 66 Ca 0.06 -1.69 -0.36 0.00 -2.02 0.00 0.00 58.31 54.31 1su1 n LYS 66 Cb 0.07 -1.05 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1su1 n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1su1 s VAL 67 N -1.41 5.17 -0.16 -0.18 1.01 -1.05 -1.31 120.40 122.47 1su1 s VAL 67 Ca 0.11 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1su1 s VAL 67 Cb 0.10 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.25 1su1 s VAL 67 CO 0.01 0.57 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1su1 s ILE 68 N -1.04 1.20 0.21 2.22 -1.09 -0.74 -4.88 121.20 117.09 1su1 s ILE 68 Ca 0.16 -0.63 0.05 0.00 -2.23 0.00 0.00 60.65 58.01 1su1 s ILE 68 Cb -0.12 -1.32 -0.05 0.00 -1.58 0.00 0.00 42.46 39.39 1su1 s ILE 68 CO 0.06 0.20 -0.06 0.00 -1.23 0.00 0.00 174.94 173.90 1su1 s ALA 69 N 1.60 1.84 0.03 9.38 0.00 -1.26 -1.37 121.76 131.98 1su1 s ALA 69 Ca 0.01 -1.69 0.04 0.00 0.00 0.00 0.00 51.96 50.32 1su1 s ALA 69 Cb -0.15 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1su1 s ALA 69 CO -0.08 -0.12 -0.11 0.14 0.00 0.00 0.00 175.76 175.59 1su1 s VAL 70 N -3.25 0.86 0.17 0.00 -7.23 -0.86 -4.69 120.40 105.41 1su1 s VAL 70 Ca 0.24 -0.90 -0.32 0.00 -1.81 0.00 0.00 61.98 59.19 1su1 s VAL 70 Cb 0.03 -0.81 -0.10 0.00 0.56 0.00 0.00 36.38 36.06 1su1 s VAL 70 CO 0.07 -0.08 1.61 -0.60 -0.31 0.00 0.00 175.10 175.79 1su1 s ARG 71 N -1.10 4.19 0.20 4.82 3.52 0.17 -2.75 118.95 128.01 1su1 s ARG 71 Ca -0.01 2.42 0.05 0.00 -0.13 0.00 0.00 55.73 58.06 1su1 s ARG 71 Cb -0.07 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1su1 s ARG 71 CO 0.01 -0.65 0.24 0.20 -0.81 0.00 0.00 175.30 174.29 1su1 s GLY 72 N 1.22 1.51 0.49 8.12 0.00 -1.26 -4.36 107.32 113.04 1su1 s GLY 72 Ca 0.71 -1.24 0.32 0.00 0.00 0.00 0.00 44.72 44.52 1su1 s GLY 72 CO 0.31 -1.25 1.97 3.45 0.00 0.00 0.00 173.10 177.58 1su1 h ASN 73 N 1.80 0.00 -0.02 1.64 -1.07 -1.96 -1.02 115.58 114.95 1su1 h ASN 73 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1su1 h ASN 73 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1su1 h ASN 73 CO 0.63 0.00 -0.43 0.00 0.07 0.00 0.00 177.43 177.70 1su1 s ASP 75 N -2.39 7.34 0.32 0.00 1.01 -0.39 -4.58 116.67 117.99 1su1 s ASP 75 Ca 0.19 1.63 0.03 0.00 0.71 0.00 0.00 52.55 55.10 1su1 s ASP 75 Cb 0.18 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 1su1 s ASP 75 CO 0.54 0.17 0.10 -1.54 0.21 0.00 0.00 175.17 174.65 1su1 n SER 76 N 1.41 1.35 -0.05 0.27 3.41 -1.26 -4.86 113.62 113.90 1su1 n SER 76 Ca -0.05 -2.69 -0.02 0.00 -0.26 0.00 0.00 58.87 55.86 1su1 n SER 76 Cb 0.49 0.75 0.23 0.00 -0.26 0.00 0.00 64.21 65.42 1su1 n SER 76 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1su1 h GLU 77 N 0.00 0.64 -0.79 4.33 5.08 -2.00 -2.66 114.58 119.19 1su1 h GLU 77 Ca -0.25 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1su1 h GLU 77 Cb 0.95 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.07 1su1 h GLU 77 CO 0.40 0.67 0.46 -0.24 -1.00 0.00 0.00 179.01 179.30 1su1 h VAL 78 N 0.61 1.22 -0.64 3.13 3.04 -1.99 -1.09 116.25 120.53 1su1 h VAL 78 Ca 0.12 -0.50 -0.03 0.00 -1.01 0.00 0.00 66.70 65.28 1su1 h VAL 78 Cb 0.39 0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.77 1su1 h VAL 78 CO 0.02 0.24 0.26 0.44 -1.01 0.00 0.00 177.57 177.52 1su1 h ASP 79 N 1.08 0.87 -0.08 3.17 3.32 -1.89 -1.83 116.42 121.07 1su1 h ASP 79 Ca 0.28 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 1su1 h ASP 79 Cb -0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1su1 h ASP 79 CO -0.05 0.80 -0.19 -0.61 -1.72 0.00 0.00 179.24 177.47 1su1 h GLN 80 N 0.89 0.47 0.00 3.56 5.75 -1.21 -0.58 115.11 124.00 1su1 h GLN 80 Ca 0.21 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 1su1 h GLN 80 Cb 0.19 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1su1 h GLN 80 CO -0.02 0.64 -0.35 1.98 -2.65 0.00 0.00 178.83 178.43 1su1 h MET 81 N 0.42 0.00 0.16 1.69 4.05 -0.67 -3.24 114.93 117.35 1su1 h MET 81 Ca 0.07 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.17 1su1 h MET 81 Cb 0.57 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1su1 h MET 81 CO 0.04 0.35 -1.59 -0.07 0.23 0.00 0.00 176.91 175.86 1su1 h LEU 82 N 0.00 0.55 -9.64 3.39 3.38 -0.80 -3.46 115.31 108.72 1su1 h LEU 82 Ca -0.00 -0.91 -0.52 0.00 0.09 0.00 0.00 57.88 56.53 1su1 h LEU 82 Cb 0.78 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1su1 h LEU 82 CO 0.04 1.72 0.26 -0.76 0.09 0.00 0.00 178.44 179.79 1su1 s LEU 83 N -7.42 4.55 -0.18 1.67 1.43 -0.27 -4.98 118.68 113.47 1su1 s LEU 83 Ca -0.17 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 1su1 s LEU 83 Cb 0.05 -3.43 0.41 0.00 0.03 0.00 0.00 46.19 43.25 1su1 s LEU 83 CO 0.83 0.07 1.33 1.41 0.23 0.00 0.00 176.35 180.23 1su1 n HIS 84 N 2.19 1.40 -4.04 0.29 8.25 -1.26 -4.83 115.22 117.22 1su1 n HIS 84 Ca -0.02 -0.79 -0.11 0.00 -0.26 0.00 0.00 57.72 56.55 1su1 n HIS 84 Cb 0.49 -0.47 -0.11 0.00 1.12 0.00 0.00 29.99 31.02 1su1 n HIS 84 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1su1 s PHE 85 N -1.89 0.54 -0.00 4.41 -0.71 -1.26 -4.83 117.98 114.23 1su1 s PHE 85 Ca 0.31 -0.59 -0.30 0.00 -1.04 0.00 0.00 56.93 55.31 1su1 s PHE 85 Cb 0.24 -0.34 -0.07 0.00 -1.21 0.00 0.00 43.02 41.64 1su1 s PHE 85 CO 0.07 -0.15 1.81 -2.14 -1.34 0.00 0.00 175.22 173.47 1su1 s PRO 86 N -1.89 4.16 0.00 1.99 0.02 -1.26 -4.90 135.00 133.12 1su1 s PRO 86 Ca -0.09 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1su1 s PRO 86 Cb -0.07 -4.05 0.00 0.00 0.02 0.00 0.00 34.50 30.39 1su1 s PRO 86 CO -0.01 -0.89 0.61 0.44 -0.33 0.00 0.00 177.00 176.81 1su1 n ILE 87 N 5.48 0.29 0.14 2.83 -5.35 -1.26 -4.08 119.36 117.40 1su1 n ILE 87 Ca 0.18 -0.59 0.06 0.00 -0.27 0.00 0.00 62.75 62.13 1su1 n ILE 87 Cb 0.42 0.93 0.04 0.00 -1.74 0.00 0.00 39.64 39.29 1su1 n ILE 87 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1su1 h THR 88 N 0.17 0.42 -2.85 7.28 1.35 -1.90 -2.66 112.91 114.72 1su1 h THR 88 Ca 0.00 -1.65 -0.53 0.00 -0.55 0.00 0.00 66.41 63.68 1su1 h THR 88 Cb 0.21 2.09 0.07 0.00 -1.73 0.00 0.00 68.15 68.79 1su1 h THR 88 CO 0.00 0.24 0.93 0.00 -0.25 0.00 0.00 175.52 176.44 1su1 n ALA 89 N -2.21 2.52 0.31 6.62 0.00 -1.26 -4.47 120.51 122.02 1su1 n ALA 89 Ca 0.00 0.39 0.14 0.00 0.00 0.00 0.00 53.44 53.98 1su1 n ALA 89 Cb 0.67 -2.47 0.44 0.00 0.00 0.00 0.00 19.45 18.08 1su1 n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1su1 h PRO 90 N 5.83 0.00 -2.26 0.00 0.13 -1.90 0.52 132.00 134.32 1su1 h PRO 90 Ca -0.45 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1su1 h PRO 90 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1su1 h PRO 90 CO 0.88 0.00 0.48 1.67 -0.23 0.00 0.00 178.00 180.80 1su1 s TRP 91 N -3.39 -0.36 0.31 1.56 -2.14 -1.26 -4.41 118.94 109.25 1su1 s TRP 91 Ca 0.05 0.25 -0.09 0.00 2.66 0.00 0.00 56.10 58.97 1su1 s TRP 91 Cb 0.08 0.53 0.01 0.00 -3.10 0.00 0.00 33.47 30.99 1su1 s TRP 91 CO 0.58 -0.54 0.52 -0.65 -2.66 0.00 0.00 176.95 174.20 1su1 s GLN 92 N -3.00 1.81 0.06 3.25 -0.21 -0.84 -5.02 119.66 115.72 1su1 s GLN 92 Ca 0.04 -1.50 0.03 0.00 0.02 0.00 0.00 55.36 53.95 1su1 s GLN 92 Cb -0.01 0.48 -0.03 0.00 1.00 0.00 0.00 33.01 34.45 1su1 s GLN 92 CO -0.08 -0.77 -0.09 -0.65 -2.12 0.00 0.00 175.29 171.58 1su1 s GLN 93 N -3.35 0.67 -0.09 2.91 -1.52 -1.26 -2.08 119.66 114.93 1su1 s GLN 93 Ca 0.25 -0.95 0.02 0.00 -1.95 0.00 0.00 55.36 52.73 1su1 s GLN 93 Cb -0.01 -0.37 0.01 0.00 -0.22 0.00 0.00 33.01 32.42 1su1 s GLN 93 CO 0.14 0.06 -0.15 0.08 -0.25 0.00 0.00 175.29 175.17 1su1 s VAL 94 N -1.95 1.44 -0.19 1.09 1.01 -0.91 -4.99 120.40 115.90 1su1 s VAL 94 Ca -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1su1 s VAL 94 Cb -0.06 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1su1 s VAL 94 CO -0.00 0.43 -0.06 -0.76 0.00 0.00 0.00 175.10 174.70 1su1 s LEU 95 N 0.79 2.91 0.00 3.92 1.43 -1.26 -0.50 118.68 125.97 1su1 s LEU 95 Ca -0.11 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1su1 s LEU 95 Cb -0.16 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1su1 s LEU 95 CO 0.02 0.05 0.00 0.18 0.23 0.00 0.00 176.35 176.83 1su1 n LEU 96 N 4.33 0.00 0.49 1.79 4.77 -0.09 -5.02 117.00 123.25 1su1 n LEU 96 Ca -0.18 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.60 1su1 n LEU 96 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1su1 n LEU 96 CO 0.30 0.00 0.54 -0.33 -1.33 0.00 0.00 177.39 176.57 1su1 h GLU 97 N 0.00 -1.23 0.00 3.23 5.08 -1.99 -3.38 114.58 116.29 1su1 h GLU 97 Ca 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1su1 h GLU 97 Cb 0.00 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1su1 h GLU 97 CO 0.00 -0.82 -0.15 1.63 -1.00 0.00 0.00 179.01 178.67 1su1 n LYS 98 N -5.57 1.01 -3.97 2.33 5.02 -1.26 -5.08 118.16 110.65 1su1 n LYS 98 Ca -0.16 -1.52 -0.09 0.00 -2.02 0.00 0.00 58.31 54.52 1su1 n LYS 98 Cb 0.51 -0.93 -0.08 0.00 -0.02 0.00 0.00 35.03 34.52 1su1 n LYS 98 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1su1 s GLN 99 N -1.14 0.91 0.10 1.97 -2.07 -1.26 -4.98 119.66 113.19 1su1 s GLN 99 Ca 0.10 -1.14 0.07 0.00 -1.82 0.00 0.00 55.36 52.57 1su1 s GLN 99 Cb 0.09 0.31 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 1su1 s GLN 99 CO 0.01 -0.29 -0.18 -0.98 -1.32 0.00 0.00 175.29 172.54 1su1 s ARG 100 N -3.93 1.04 -0.20 9.60 1.70 -1.26 -0.92 118.95 124.97 1su1 s ARG 100 Ca 0.12 -1.14 -0.06 0.00 -0.47 0.00 0.00 55.73 54.18 1su1 s ARG 100 Cb 0.05 -1.16 -0.03 0.00 -0.57 0.00 0.00 34.95 33.25 1su1 s ARG 100 CO -0.06 0.26 0.04 -0.51 -1.08 0.00 0.00 175.30 173.95 1su1 s LEU 101 N -2.01 3.47 -0.45 -1.89 1.43 0.34 -1.51 118.68 118.06 1su1 s LEU 101 Ca 0.05 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1su1 s LEU 101 Cb -0.09 -1.89 0.06 0.00 0.03 0.00 0.00 46.19 44.30 1su1 s LEU 101 CO 0.04 0.08 0.36 0.12 0.23 0.00 0.00 176.35 177.18 1su1 s PHE 102 N 0.94 3.25 -0.28 0.29 5.36 0.34 -2.13 117.98 125.74 1su1 s PHE 102 Ca 0.03 -0.91 -0.21 0.00 -0.96 0.00 0.00 56.93 54.88 1su1 s PHE 102 Cb -0.14 -3.02 -0.01 0.00 -0.34 0.00 0.00 43.02 39.51 1su1 s PHE 102 CO 0.02 -0.76 0.67 -0.51 -1.46 0.00 0.00 175.22 173.19 1su1 s LEU 103 N 1.63 4.09 0.14 6.12 1.43 -0.88 -0.88 118.68 130.33 1su1 s LEU 103 Ca 0.04 0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 53.63 1su1 s LEU 103 Cb -0.23 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.11 1su1 s LEU 103 CO 0.07 -0.46 0.39 0.28 0.23 0.00 0.00 176.35 176.86 1su1 s THR 104 N 2.65 0.07 0.05 5.49 -1.32 -0.54 -1.98 115.64 120.04 1su1 s THR 104 Ca 0.28 -0.79 -0.19 0.00 -1.21 0.00 0.00 61.69 59.78 1su1 s THR 104 Cb -0.15 -1.36 -0.15 0.00 -1.51 0.00 0.00 72.50 69.33 1su1 s THR 104 CO 0.10 -0.31 1.29 -0.74 -2.21 0.00 0.00 174.62 172.75 1su1 h HIS 105 N 2.40 0.59 0.00 9.09 2.76 -1.76 -3.33 115.15 124.90 1su1 h HIS 105 Ca -0.33 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 1su1 h HIS 105 Cb 1.25 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1su1 h HIS 105 CO 0.35 0.93 0.00 0.41 -1.30 0.00 0.00 177.93 178.33 1su1 n GLY 106 N 0.44 1.11 0.09 5.26 0.00 -1.24 -0.95 105.19 109.90 1su1 n GLY 106 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1su1 n GLY 106 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1su1 n HIS 107 N 0.00 0.74 -0.04 1.61 1.44 -1.26 -4.43 115.22 113.28 1su1 n HIS 107 Ca 0.00 0.22 -0.03 0.00 -2.01 0.00 0.00 57.72 55.90 1su1 n HIS 107 Cb 0.00 -0.88 -0.01 0.00 0.12 0.00 0.00 29.99 29.22 1su1 n HIS 107 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1su1 n LEU 108 N -2.61 0.89 -4.53 2.39 4.77 -1.26 -4.96 117.00 111.68 1su1 n LEU 108 Ca -0.03 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 1su1 n LEU 108 Cb 0.60 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 1su1 n LEU 108 CO 0.42 -0.44 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.26 1su1 s PHE 109 N -1.75 2.79 0.00 -1.77 0.08 -1.26 -4.91 117.98 111.15 1su1 s PHE 109 Ca -0.10 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1su1 s PHE 109 Cb 0.01 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1su1 s PHE 109 CO 0.16 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.97 1su1 n GLY 110 N 1.93 1.14 0.39 4.36 0.00 -0.06 -3.59 105.19 109.36 1su1 n GLY 110 Ca -0.17 -0.79 0.20 0.00 0.00 0.00 0.00 46.02 45.26 1su1 n GLY 110 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1su1 h PRO 111 N 0.00 0.11 -0.47 1.61 0.11 -1.99 -1.06 132.00 130.31 1su1 h PRO 111 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1su1 h PRO 111 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1su1 h PRO 111 CO 0.00 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.26 1su1 n GLU 112 N -4.39 3.42 -2.73 1.05 1.02 -1.26 -4.64 120.64 113.12 1su1 n GLU 112 Ca 0.12 -2.72 -0.05 0.00 -0.02 0.00 0.00 57.16 54.50 1su1 n GLU 112 Cb 0.64 -1.77 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 1su1 n GLU 112 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1su1 n ASN 113 N 0.52 -2.66 -4.75 1.62 4.05 -0.43 -5.16 115.26 108.45 1su1 n ASN 113 Ca 0.22 -2.38 -0.41 0.00 0.45 0.00 0.00 54.58 52.46 1su1 n ASN 113 Cb 0.81 1.42 -0.04 0.00 1.23 0.00 0.00 39.78 43.20 1su1 n ASN 113 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1su1 s LEU 114 N 0.53 4.52 0.81 1.20 1.43 -1.05 -0.89 118.68 125.23 1su1 s LEU 114 Ca 0.28 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 1su1 s LEU 114 Cb 0.09 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.77 1su1 s LEU 114 CO -0.10 -0.21 1.14 -2.84 0.23 0.00 0.00 176.35 174.56 1su1 s PRO 115 N -1.09 2.00 -0.06 1.29 0.02 -1.26 -4.96 135.00 130.94 1su1 s PRO 115 Ca 0.47 0.32 -0.30 0.00 0.02 0.00 0.00 61.00 61.51 1su1 s PRO 115 Cb -0.32 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 1su1 s PRO 115 CO 0.40 -1.61 1.08 0.00 -0.33 0.00 0.00 177.00 176.54 1su1 s ALA 116 N -3.39 3.39 0.06 -1.55 0.00 -1.26 -5.01 121.76 113.99 1su1 s ALA 116 Ca 0.61 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 53.09 1su1 s ALA 116 Cb -0.12 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1su1 s ALA 116 CO 0.51 -0.57 -0.04 -0.51 0.00 0.00 0.00 175.76 175.15 1su1 s LEU 117 N 1.81 2.47 0.63 0.00 1.43 -1.26 -5.16 118.68 118.60 1su1 s LEU 117 Ca 0.52 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1su1 s LEU 117 Cb -0.22 0.14 0.05 0.00 0.03 0.00 0.00 46.19 46.19 1su1 s LEU 117 CO 0.22 -0.54 0.90 0.21 0.23 0.00 0.00 176.35 177.36 1su1 s ASN 118 N -2.80 5.01 0.28 2.29 3.04 -1.26 -5.00 114.94 116.50 1su1 s ASN 118 Ca 0.06 0.18 -0.30 0.00 0.04 0.00 0.00 52.86 52.84 1su1 s ASN 118 Cb 0.06 -0.93 -0.11 0.00 -1.54 0.00 0.00 41.25 38.72 1su1 s ASN 118 CO -0.08 -1.39 1.59 -1.58 -3.04 0.00 0.00 177.10 172.60 1su1 s GLN 119 N -5.00 4.14 -0.29 0.43 0.74 -1.26 -2.38 119.66 116.04 1su1 s GLN 119 Ca 0.59 2.54 0.00 0.00 0.05 0.00 0.00 55.36 58.55 1su1 s GLN 119 Cb -0.10 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1su1 s GLN 119 CO 0.42 -0.62 0.00 0.09 -0.55 0.00 0.00 175.29 174.63 1su1 n ASN 120 N 2.42 -3.76 -4.90 6.67 3.02 0.44 -4.99 115.26 114.16 1su1 n ASN 120 Ca 0.09 0.07 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 1su1 n ASN 120 Cb 0.38 -1.50 0.07 0.00 -0.61 0.00 0.00 39.78 38.12 1su1 n ASN 120 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1su1 s ASP 121 N -2.45 4.77 -0.09 6.41 1.01 -1.00 -4.70 116.67 120.62 1su1 s ASP 121 Ca 0.00 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.68 1su1 s ASP 121 Cb 0.00 -1.03 0.01 0.00 1.01 0.00 0.00 42.92 42.91 1su1 s ASP 121 CO 0.00 -1.62 -0.16 -0.69 0.21 0.00 0.00 175.17 172.92 1su1 s VAL 122 N -3.24 1.46 -0.43 -1.27 1.01 -0.57 -0.32 120.40 117.03 1su1 s VAL 122 Ca 0.61 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1su1 s VAL 122 Cb -0.10 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1su1 s VAL 122 CO 0.45 0.43 0.61 -0.22 0.00 0.00 0.00 175.10 176.36 1su1 s LEU 123 N 0.77 4.56 -0.33 3.92 2.96 0.13 -0.51 118.68 130.19 1su1 s LEU 123 Ca -0.11 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 1su1 s LEU 123 Cb -0.16 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1su1 s LEU 123 CO 0.02 -0.74 0.19 -0.69 -1.32 0.00 0.00 176.35 173.81 1su1 s VAL 124 N 2.70 4.83 0.21 1.68 1.01 -0.06 -1.65 120.40 129.12 1su1 s VAL 124 Ca 0.21 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1su1 s VAL 124 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1su1 s VAL 124 CO 0.18 0.02 0.29 -0.72 0.00 0.00 0.00 175.10 174.87 1su1 s TYR 125 N 1.65 0.71 0.00 5.22 1.13 -0.62 -1.47 117.35 123.96 1su1 s TYR 125 Ca 0.05 -1.01 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 1su1 s TYR 125 Cb -0.17 -0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.51 1su1 s TYR 125 CO 0.08 -0.79 0.00 0.41 -2.51 0.00 0.00 175.55 172.74 1su1 n GLY 126 N -0.30 2.71 4.82 5.49 0.00 -0.13 -4.01 105.19 113.77 1su1 n GLY 126 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1su1 n GLY 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1su1 n HIS 127 N 0.00 0.00 0.18 1.61 -0.00 -1.09 -4.43 115.22 111.49 1su1 n HIS 127 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 1su1 n HIS 127 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 1su1 n HIS 127 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1su1 h THR 128 N 0.00 0.43 -1.43 3.57 1.35 -1.93 -3.47 112.91 111.43 1su1 h THR 128 Ca 0.00 -1.62 -0.23 0.00 -0.55 0.00 0.00 66.41 64.01 1su1 h THR 128 Cb 0.00 2.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.60 1su1 h THR 128 CO 0.00 0.25 -0.28 1.41 -0.25 0.00 0.00 175.52 176.65 1su1 n HIS 129 N -3.16 -0.44 -4.09 4.73 8.25 -1.26 -4.84 115.22 114.41 1su1 n HIS 129 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 1su1 n HIS 129 Cb 0.63 -2.54 -0.17 0.00 1.12 0.00 0.00 29.99 29.03 1su1 n HIS 129 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1su1 s LEU 130 N -3.18 1.49 0.36 2.41 1.43 -1.26 -1.96 118.68 117.97 1su1 s LEU 130 Ca 0.00 -0.39 -0.28 0.00 -1.03 0.00 0.00 54.13 52.43 1su1 s LEU 130 Cb 0.00 -1.01 -0.10 0.00 0.03 0.00 0.00 46.19 45.12 1su1 s LEU 130 CO 0.00 -0.06 1.27 -2.16 0.23 0.00 0.00 176.35 175.63 1su1 s PRO 131 N 1.43 4.24 -0.06 1.29 0.04 -1.26 -4.37 135.00 136.30 1su1 s PRO 131 Ca 0.02 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 63.09 1su1 s PRO 131 Cb -0.13 -2.95 0.02 0.00 0.04 0.00 0.00 34.50 31.48 1su1 s PRO 131 CO -0.07 -0.25 0.23 0.08 0.04 0.00 0.00 177.00 177.03 1su1 s VAL 132 N -1.21 0.02 -0.31 -0.36 1.01 -0.00 -4.93 120.40 114.62 1su1 s VAL 132 Ca 0.52 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.34 1su1 s VAL 132 Cb -0.38 -0.40 0.19 0.00 0.00 0.00 0.00 36.38 35.80 1su1 s VAL 132 CO 0.49 -0.11 0.67 0.00 0.00 0.00 0.00 175.10 176.16 1su1 s ALA 133 N -0.35 -2.68 0.02 5.51 0.00 -1.24 -1.20 121.76 121.82 1su1 s ALA 133 Ca -0.05 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 1su1 s ALA 133 Cb -0.03 -2.63 0.10 0.00 0.00 0.00 0.00 23.12 20.56 1su1 s ALA 133 CO 0.01 -1.95 1.17 -1.83 0.00 0.00 0.00 175.76 173.16 1su1 s GLU 134 N 2.66 0.65 -0.27 0.00 -1.05 -0.98 -4.56 118.70 115.16 1su1 s GLU 134 Ca 0.13 -0.35 -0.14 0.00 -0.15 0.00 0.00 54.97 54.47 1su1 s GLU 134 Cb -0.08 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.80 1su1 s GLU 134 CO -0.22 -0.30 0.34 -1.14 0.95 0.00 0.00 175.26 174.89 1su1 s GLN 135 N -2.71 4.01 -0.47 -4.83 0.74 -1.26 -1.22 119.66 113.92 1su1 s GLN 135 Ca 0.13 -0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.53 1su1 s GLN 135 Cb 0.02 -3.65 0.12 0.00 1.10 0.00 0.00 33.01 30.61 1su1 s GLN 135 CO -0.02 -0.24 0.23 0.50 -0.55 0.00 0.00 175.29 175.21 1su1 s ARG 136 N 1.96 1.97 5.09 1.67 6.06 -0.27 -4.97 118.95 130.45 1su1 s ARG 136 Ca 0.14 -2.25 0.00 0.00 -2.50 0.00 0.00 55.73 51.12 1su1 s ARG 136 Cb -0.16 -3.43 0.00 0.00 0.06 0.00 0.00 34.95 31.42 1su1 s ARG 136 CO 0.10 -1.07 0.00 0.41 -2.50 0.00 0.00 175.30 172.24 1su1 n GLY 137 N 3.79 1.61 0.04 8.12 0.00 -1.26 -3.44 105.19 114.04 1su1 n GLY 137 Ca 0.04 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.66 1su1 n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1su1 n GLU 138 N 1.79 3.44 -4.59 1.61 0.00 -1.26 -5.02 120.64 116.62 1su1 n GLU 138 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 57.16 56.78 1su1 n GLU 138 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 31.44 30.35 1su1 n GLU 138 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1su1 s ILE 139 N -1.85 1.92 -0.11 3.84 -4.36 -1.22 -0.42 121.20 118.99 1su1 s ILE 139 Ca 0.05 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.44 1su1 s ILE 139 Cb 0.08 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 40.86 1su1 s ILE 139 CO 0.39 0.00 0.00 -0.36 0.24 0.00 0.00 174.94 175.21 1su1 s PHE 140 N -2.72 3.15 -0.12 1.37 0.08 0.56 -1.12 117.98 119.18 1su1 s PHE 140 Ca 0.32 0.08 -0.03 0.00 0.12 0.00 0.00 56.93 57.42 1su1 s PHE 140 Cb 0.08 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1su1 s PHE 140 CO 0.17 0.33 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.60 1su1 s HIS 141 N -0.46 3.11 -0.05 0.36 3.76 -0.36 0.20 115.29 121.85 1su1 s HIS 141 Ca 0.08 0.00 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1su1 s HIS 141 Cb -0.12 -1.88 0.04 0.00 1.11 0.00 0.00 32.58 31.73 1su1 s HIS 141 CO 0.02 0.25 0.10 0.12 -0.85 0.00 0.00 174.74 174.38 1su1 s PHE 142 N -0.29 -0.06 -0.11 1.40 5.36 -0.66 -2.31 117.98 121.31 1su1 s PHE 142 Ca 0.06 0.39 -0.02 0.00 -0.96 0.00 0.00 56.93 56.39 1su1 s PHE 142 Cb -0.12 -0.30 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 1su1 s PHE 142 CO 0.02 -0.19 0.04 1.21 -1.46 0.00 0.00 175.22 174.83 1su1 s ASN 143 N 1.83 1.93 0.00 6.13 3.84 -0.34 -1.59 114.94 126.74 1su1 s ASN 143 Ca -0.01 -0.31 0.00 0.00 0.21 0.00 0.00 52.86 52.75 1su1 s ASN 143 Cb -0.12 -0.38 0.00 0.00 -0.55 0.00 0.00 41.25 40.20 1su1 s ASN 143 CO -0.04 -0.26 0.90 -0.81 -2.79 0.00 0.00 177.10 174.10 1su1 n PRO 144 N 5.18 0.99 -0.27 0.43 -0.04 -1.26 -0.82 135.00 139.21 1su1 n PRO 144 Ca -0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1su1 n PRO 144 Cb 0.49 -1.09 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 1su1 n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1su1 n GLY 145 N 0.41 -1.54 3.85 0.55 0.00 -1.26 -3.47 105.19 103.73 1su1 n GLY 145 Ca 0.00 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1su1 n GLY 145 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1su1 s SER 146 N -4.39 6.66 0.00 1.61 0.15 -1.26 -4.24 113.70 112.23 1su1 s SER 146 Ca 0.00 0.79 0.30 0.00 0.70 0.00 0.00 55.95 57.74 1su1 s SER 146 Cb 0.00 -2.19 1.52 0.00 -1.71 0.00 0.00 66.02 63.64 1su1 s SER 146 CO 0.00 0.34 2.01 1.33 1.20 0.00 0.00 173.24 178.13 1su1 n VAL 147 N 1.79 0.00 0.00 4.45 0.24 -0.92 -1.88 118.33 122.01 1su1 n VAL 147 Ca -0.15 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1su1 n VAL 147 Cb 0.53 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1su1 n VAL 147 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1su1 n SER 148 N -0.70 0.00 -3.14 -1.34 3.41 -1.25 -4.65 113.62 105.95 1su1 n SER 148 Ca 0.20 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.60 1su1 n SER 148 Cb 0.22 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 1su1 n SER 148 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1su1 n ILE 149 N -0.21 0.62 -1.54 -1.33 5.41 -1.26 -4.71 119.36 116.34 1su1 n ILE 149 Ca 0.00 -4.80 -0.37 0.00 1.00 0.00 0.00 62.75 58.58 1su1 n ILE 149 Cb 0.00 -0.67 0.07 0.00 -0.71 0.00 0.00 39.64 38.33 1su1 n ILE 149 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1su1 n PRO 150 N 0.24 0.79 -4.53 0.38 -0.02 -1.26 -4.83 135.00 125.76 1su1 n PRO 150 Ca 0.26 0.32 -0.25 0.00 -2.02 0.00 0.00 63.50 61.82 1su1 n PRO 150 Cb 0.58 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.65 1su1 n PRO 150 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1su1 s LYS 151 N -3.19 1.79 -1.24 -0.52 1.02 -0.83 -4.78 119.74 111.99 1su1 s LYS 151 Ca 0.77 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1su1 s LYS 151 Cb -0.38 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1su1 s LYS 151 CO 0.46 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 1su1 n GLY 152 N -0.81 0.77 2.34 -3.33 0.00 -1.26 -2.92 105.19 99.98 1su1 n GLY 152 Ca -0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 1su1 n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1su1 n GLY 153 N -1.27 0.45 3.90 -0.02 0.00 -1.26 -5.02 105.19 101.96 1su1 n GLY 153 Ca -0.14 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1su1 n GLY 153 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1su1 s ASN 154 N -2.18 5.99 0.59 1.61 0.01 -1.15 -5.07 114.94 114.74 1su1 s ASN 154 Ca 0.00 1.05 -0.08 0.00 -0.71 0.00 0.00 52.86 53.11 1su1 s ASN 154 Cb 0.00 -2.15 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1su1 s ASN 154 CO 0.00 -0.87 0.95 -2.84 -1.51 0.00 0.00 177.10 172.83 1su1 s PRO 155 N -5.00 3.32 0.42 -0.60 0.02 -1.26 -4.65 135.00 127.24 1su1 s PRO 155 Ca 0.52 0.39 -0.26 0.00 0.02 0.00 0.00 61.00 61.68 1su1 s PRO 155 Cb -0.11 -2.19 -0.09 0.00 0.02 0.00 0.00 34.50 32.13 1su1 s PRO 155 CO 0.48 -0.58 1.39 0.00 -0.33 0.00 0.00 177.00 177.97 1su1 s ALA 156 N -3.05 3.32 0.24 -1.55 0.00 -1.26 -4.83 121.76 114.64 1su1 s ALA 156 Ca 0.53 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.84 1su1 s ALA 156 Cb -0.11 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1su1 s ALA 156 CO 0.49 -1.02 0.32 -1.54 0.00 0.00 0.00 175.76 174.01 1su1 s SER 157 N -0.51 0.22 0.30 0.00 1.04 -0.79 -0.55 113.70 113.42 1su1 s SER 157 Ca 0.57 -1.24 0.07 0.00 0.48 0.00 0.00 55.95 55.84 1su1 s SER 157 Cb -0.42 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1su1 s SER 157 CO 0.55 -1.03 0.26 0.00 0.98 0.00 0.00 173.24 174.01 1su1 n TYR 158 N -0.37 -0.75 -4.19 5.02 4.11 -0.54 -3.38 117.16 117.06 1su1 n TYR 158 Ca 0.01 -2.53 -0.11 0.00 -0.00 0.00 0.00 57.90 55.26 1su1 n TYR 158 Cb 0.64 0.27 -0.10 0.00 -0.00 0.00 0.00 39.34 40.15 1su1 n TYR 158 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1su1 s GLY 159 N -3.11 1.07 -0.01 -7.48 0.00 0.17 -0.90 107.32 97.05 1su1 s GLY 159 Ca 0.36 -1.51 -0.10 0.00 0.00 0.00 0.00 44.72 43.47 1su1 s GLY 159 CO 0.25 -1.44 0.21 -0.29 0.00 0.00 0.00 173.10 171.83 1su1 s MET 160 N -3.98 0.53 -0.17 2.90 1.75 -0.38 -0.25 119.30 119.71 1su1 s MET 160 Ca 0.23 -0.26 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 1su1 s MET 160 Cb 0.07 0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.98 1su1 s MET 160 CO 0.02 -0.13 -0.19 -1.17 -0.65 0.00 0.00 175.02 172.90 1su1 s LEU 161 N -1.23 2.20 -0.71 4.11 1.98 0.10 -1.25 118.68 123.88 1su1 s LEU 161 Ca -0.13 -0.61 0.05 0.00 -2.89 0.00 0.00 54.13 50.55 1su1 s LEU 161 Cb -0.06 -1.49 0.18 0.00 0.66 0.00 0.00 46.19 45.48 1su1 s LEU 161 CO 0.02 0.03 0.54 -0.67 -1.89 0.00 0.00 176.35 174.38 1su1 n ASP 162 N 4.45 3.18 0.00 3.68 2.03 -0.38 -1.73 116.55 127.78 1su1 n ASP 162 Ca -0.20 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 51.87 1su1 n ASP 162 Cb 0.51 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 1su1 n ASP 162 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1su1 n ASN 163 N 1.85 0.00 -0.05 1.67 3.02 -0.40 -3.07 115.26 118.28 1su1 n ASN 163 Ca 0.21 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.78 1su1 n ASN 163 Cb 0.36 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1su1 n ASN 163 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1su1 n ASP 164 N 2.09 1.68 -4.04 6.41 5.68 -1.26 -4.79 116.55 122.32 1su1 n ASP 164 Ca 0.00 -2.12 -0.21 0.00 -0.50 0.00 0.00 54.79 51.97 1su1 n ASP 164 Cb 0.00 -0.11 -0.15 0.00 -1.14 0.00 0.00 41.12 39.71 1su1 n ASP 164 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1su1 s VAL 165 N -1.24 0.89 -0.18 2.12 1.01 -1.18 -1.64 120.40 120.18 1su1 s VAL 165 Ca 0.08 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1su1 s VAL 165 Cb 0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1su1 s VAL 165 CO 0.01 0.26 -0.08 -0.76 0.00 0.00 0.00 175.10 174.53 1su1 s LEU 166 N -0.07 2.86 -0.02 3.92 1.43 -0.33 -1.25 118.68 125.22 1su1 s LEU 166 Ca 0.01 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1su1 s LEU 166 Cb -0.06 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1su1 s LEU 166 CO 0.00 0.07 -0.16 -0.44 0.23 0.00 0.00 176.35 176.06 1su1 s SER 167 N 0.92 1.85 -0.24 2.29 0.01 -0.38 -1.05 113.70 117.11 1su1 s SER 167 Ca -0.01 -0.29 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1su1 s SER 167 Cb -0.15 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 1su1 s SER 167 CO 0.00 0.18 0.27 -0.69 0.41 0.00 0.00 173.24 173.41 1su1 s VAL 168 N -0.31 5.28 -0.07 3.43 1.01 0.20 -1.25 120.40 128.70 1su1 s VAL 168 Ca 0.05 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.47 1su1 s VAL 168 Cb -0.07 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1su1 s VAL 168 CO -0.00 0.28 -0.21 -0.63 0.00 0.00 0.00 175.10 174.54 1su1 s ILE 169 N 1.36 1.77 0.26 2.22 1.01 -0.08 -0.36 121.20 127.39 1su1 s ILE 169 Ca 0.12 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1su1 s ILE 169 Cb -0.14 -1.52 -0.11 0.00 0.01 0.00 0.00 42.46 40.69 1su1 s ILE 169 CO 0.07 0.50 1.57 0.00 0.00 0.00 0.00 174.94 177.07 1su1 s ALA 170 N 0.14 3.74 0.35 9.38 0.00 -0.03 -1.47 121.76 133.87 1su1 s ALA 170 Ca -0.10 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.41 1su1 s ALA 170 Cb -0.15 -3.63 0.64 0.00 0.00 0.00 0.00 23.12 19.98 1su1 s ALA 170 CO 0.05 -0.90 1.89 -0.07 0.00 0.00 0.00 175.76 176.74 1su1 h LEU 171 N 5.30 0.47 0.00 0.00 3.38 -1.15 -1.39 115.31 121.91 1su1 h LEU 171 Ca -0.46 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1su1 h LEU 171 Cb 1.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1su1 h LEU 171 CO 0.82 0.53 -0.07 -0.55 0.09 0.00 0.00 178.44 179.25 1su1 h ASN 172 N 0.49 0.00 -0.68 -0.43 7.08 -1.91 -3.41 115.58 116.72 1su1 h ASN 172 Ca 0.11 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.31 1su1 h ASN 172 Cb 0.30 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.50 1su1 h ASN 172 CO 0.01 0.22 0.36 0.44 -2.08 0.00 0.00 177.43 176.38 1su1 h ASP 173 N -0.37 0.87 -1.24 6.14 3.32 -1.96 -3.46 116.42 119.72 1su1 h ASP 173 Ca 0.00 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.79 1su1 h ASP 173 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1su1 h ASP 173 CO 0.00 0.71 -0.23 0.00 -1.72 0.00 0.00 179.24 178.00 1su1 n GLN 174 N -4.36 -0.72 -3.57 3.56 6.02 -0.52 -5.01 117.38 112.78 1su1 n GLN 174 Ca 0.07 0.47 -0.31 0.00 -0.01 0.00 0.00 57.00 57.22 1su1 n GLN 174 Cb 0.11 -4.47 -0.05 0.00 1.02 0.00 0.00 30.24 26.85 1su1 n GLN 174 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1su1 s SER 175 N -2.61 6.52 -0.18 1.08 1.04 -1.26 -4.78 113.70 113.51 1su1 s SER 175 Ca 0.00 0.69 -0.29 0.00 0.48 0.00 0.00 55.95 56.83 1su1 s SER 175 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 1su1 s SER 175 CO 0.00 -0.01 1.37 -0.63 0.98 0.00 0.00 173.24 174.95 1su1 s ILE 176 N -1.75 4.09 -0.07 -1.02 -1.09 -1.26 -0.85 121.20 119.24 1su1 s ILE 176 Ca 0.43 1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 60.13 1su1 s ILE 176 Cb -0.12 -3.92 -0.26 0.00 -1.58 0.00 0.00 42.46 36.58 1su1 s ILE 176 CO 0.24 -0.22 0.56 0.40 -1.23 0.00 0.00 174.94 174.69 1su1 h ILE 177 N 5.68 0.80 -1.56 2.92 2.04 -1.06 -3.48 117.51 122.85 1su1 h ILE 177 Ca -0.29 -2.53 0.10 0.00 1.00 0.00 0.00 64.86 63.14 1su1 h ILE 177 Cb 1.12 2.55 -0.23 0.00 -0.74 0.00 0.00 36.82 39.52 1su1 h ILE 177 CO 0.98 0.77 0.58 0.00 0.00 0.00 0.00 178.15 180.49 1su1 s ALA 178 N -2.58 -1.95 0.09 1.87 0.00 -1.15 -4.99 121.76 113.05 1su1 s ALA 178 Ca -0.15 1.58 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 1su1 s ALA 178 Cb 0.07 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.56 1su1 s ALA 178 CO 0.81 -0.34 0.58 1.14 0.00 0.00 0.00 175.76 177.95 1su1 s GLN 179 N -1.26 1.15 -0.09 0.00 -2.07 -1.26 0.61 119.66 116.73 1su1 s GLN 179 Ca -0.00 -0.28 -0.12 0.00 -1.82 0.00 0.00 55.36 53.13 1su1 s GLN 179 Cb -0.01 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.47 1su1 s GLN 179 CO -0.00 -0.45 0.32 0.54 -1.32 0.00 0.00 175.29 174.37 1su1 s VAL 180 N -2.91 0.02 -0.17 3.63 0.11 -0.22 -4.81 120.40 116.06 1su1 s VAL 180 Ca -0.03 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.76 1su1 s VAL 180 Cb -0.00 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1su1 s VAL 180 CO -0.05 -0.07 0.27 0.00 -3.33 0.00 0.00 175.10 171.92 1su1 s ALA 181 N -0.22 3.60 -0.29 1.54 0.00 -1.26 -1.19 121.76 123.94 1su1 s ALA 181 Ca -0.04 -0.48 0.12 0.00 0.00 0.00 0.00 51.96 51.56 1su1 s ALA 181 Cb -0.03 -2.37 0.77 0.00 0.00 0.00 0.00 23.12 21.50 1su1 s ALA 181 CO 0.01 0.10 1.78 0.44 0.00 0.00 0.00 175.76 178.09 1su1 n ILE 182 N 3.58 2.87 -2.11 0.00 -5.35 -0.65 -4.96 119.36 112.73 1su1 n ILE 182 Ca -0.12 -1.57 -0.42 0.00 -0.27 0.00 0.00 62.75 60.37 1su1 n ILE 182 Cb 0.52 -0.33 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 1su1 n ILE 182 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1su1 s ASN 183 N -0.98 6.76 0.00 7.28 0.01 -1.26 -5.05 114.94 121.70 1su1 s ASN 183 Ca 0.55 2.37 0.00 0.00 -0.71 0.00 0.00 52.86 55.07 1su1 s ASN 183 Cb 0.43 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.51 1su1 s ASN 183 CO 0.14 -0.72 0.00 -2.65 -1.51 0.00 0.00 177.10 172.36