#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su1 s LYS 3 N 0.00 0.97 -0.01 0.03 2.20 -1.26 -4.04 119.74 117.63 1su1 s LYS 3 Ca 0.00 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 1su1 s LYS 3 Cb 0.00 -2.25 -0.03 0.00 -1.51 0.00 0.00 37.83 34.04 1su1 s LYS 3 CO 0.00 -0.69 -0.14 -0.51 -0.36 0.00 0.00 175.35 173.65 1su1 s LEU 4 N 1.66 2.79 -0.00 5.43 1.43 -0.58 -2.37 118.68 127.05 1su1 s LEU 4 Ca -0.00 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1su1 s LEU 4 Cb -0.18 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1su1 s LEU 4 CO -0.10 0.30 -0.11 -0.32 0.23 0.00 0.00 176.35 176.35 1su1 s MET 5 N -1.13 2.44 0.01 1.70 -2.45 -0.93 0.11 119.30 119.04 1su1 s MET 5 Ca 0.14 -0.77 0.07 0.00 -1.25 0.00 0.00 55.69 53.88 1su1 s MET 5 Cb -0.11 -2.41 -0.02 0.00 1.25 0.00 0.00 34.83 33.54 1su1 s MET 5 CO 0.04 0.59 -0.22 -0.06 1.05 0.00 0.00 175.02 176.43 1su1 s PHE 6 N -0.92 1.92 -0.03 4.11 0.40 0.43 -0.79 117.98 123.09 1su1 s PHE 6 Ca 0.15 -0.37 -0.06 0.00 -0.60 0.00 0.00 56.93 56.05 1su1 s PHE 6 Cb -0.11 -1.19 0.01 0.00 0.51 0.00 0.00 43.02 42.24 1su1 s PHE 6 CO 0.05 0.03 0.13 0.00 0.70 0.00 0.00 175.22 176.14 1su1 s ALA 7 N -0.65 -0.32 0.04 5.36 0.00 -0.31 -0.94 121.76 124.95 1su1 s ALA 7 Ca 0.08 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1su1 s ALA 7 Cb -0.09 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1su1 s ALA 7 CO 0.00 -0.14 0.40 0.45 0.00 0.00 0.00 175.76 176.48 1su1 s SER 8 N -0.65 -0.27 -0.96 0.00 0.15 -1.26 -1.90 113.70 108.80 1su1 s SER 8 Ca -0.07 0.00 -0.10 0.00 0.70 0.00 0.00 55.95 56.48 1su1 s SER 8 Cb -0.04 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 1su1 s SER 8 CO 0.01 -0.65 0.74 0.47 1.20 0.00 0.00 173.24 175.01 1su1 n ASP 9 N 0.56 -6.01 0.13 5.45 8.00 -0.88 -2.37 116.55 121.42 1su1 n ASP 9 Ca -0.19 -0.73 -0.22 0.00 0.71 0.00 0.00 54.79 54.36 1su1 n ASP 9 Cb 0.59 -3.71 -0.15 0.00 -0.02 0.00 0.00 41.12 37.84 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 -0.88 1.34 -6.48 0.53 2.04 -1.35 -3.32 117.51 109.38 1su1 h ILE 10 Ca -0.48 -2.81 -0.50 0.00 1.00 0.00 0.00 64.86 62.06 1su1 h ILE 10 Cb 1.27 3.00 -0.09 0.00 -0.74 0.00 0.00 36.82 40.26 1su1 h ILE 10 CO 0.41 0.84 -0.82 1.41 0.00 0.00 0.00 178.15 179.99 1su1 n HIS 11 N -3.65 -1.92 -0.92 1.37 8.25 -0.59 -2.26 115.22 115.50 1su1 n HIS 11 Ca -0.14 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1su1 n HIS 11 Cb 1.08 -3.61 0.00 0.00 1.12 0.00 0.00 29.99 28.58 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 -1.64 0.78 3.60 -1.41 0.00 -0.32 -3.84 105.19 102.35 1su1 n GLY 12 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.74 6.12 0.14 1.61 0.15 -0.96 -0.99 113.70 117.04 1su1 s SER 13 Ca 0.00 1.00 -0.14 0.00 0.70 0.00 0.00 55.95 57.51 1su1 s SER 13 Cb 0.00 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1su1 s SER 13 CO 0.00 -1.57 1.62 0.25 1.20 0.00 0.00 173.24 174.73 1su1 h LEU 14 N 12.92 0.73 -0.89 3.45 5.85 -1.56 -1.76 115.31 134.05 1su1 h LEU 14 Ca -0.30 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.10 1su1 h LEU 14 Cb 1.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1su1 h LEU 14 CO 1.07 0.81 0.25 -0.65 -0.34 0.00 0.00 178.44 179.58 1su1 h PRO 15 N 0.62 1.06 -0.43 5.25 0.11 -1.77 -0.28 132.00 136.56 1su1 h PRO 15 Ca 0.14 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 1su1 h PRO 15 Cb 0.40 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1su1 h PRO 15 CO 0.01 0.88 0.17 0.00 -0.21 0.00 0.00 178.00 178.85 1su1 h ALA 16 N 1.24 0.56 -0.39 -0.75 0.00 -1.83 -2.00 119.26 116.09 1su1 h ALA 16 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1su1 h ALA 16 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1su1 h ALA 16 CO -0.01 0.17 0.25 1.15 0.00 0.00 0.00 179.25 180.80 1su1 h THR 17 N 0.55 1.11 -0.14 0.00 2.02 -0.88 -1.07 112.91 114.50 1su1 h THR 17 Ca 0.14 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1su1 h THR 17 Cb 0.20 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1su1 h THR 17 CO -0.01 0.11 -0.25 -0.33 0.37 0.00 0.00 175.52 175.41 1su1 h GLU 18 N 0.52 0.25 -0.23 6.66 5.08 -0.95 -0.88 114.58 125.04 1su1 h GLU 18 Ca 0.14 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1su1 h GLU 18 Cb -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1su1 h GLU 18 CO -0.03 0.49 -0.56 -0.09 -1.00 0.00 0.00 179.01 177.82 1su1 h ARG 19 N 0.23 0.70 -0.00 2.33 9.65 -1.03 -2.01 114.38 124.25 1su1 h ARG 19 Ca 0.04 -0.45 -0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1su1 h ARG 19 Cb 0.57 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1su1 h ARG 19 CO 0.04 1.07 0.00 0.28 2.80 0.00 0.00 179.97 184.16 1su1 h VAL 20 N 0.54 1.15 0.00 0.20 2.07 -0.73 -1.83 116.25 117.65 1su1 h VAL 20 Ca 0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1su1 h VAL 20 Cb 1.14 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1su1 h VAL 20 CO 0.11 0.11 -0.07 -0.07 0.02 0.00 0.00 177.57 177.68 1su1 h LEU 21 N -0.18 0.00 0.07 2.57 3.38 -1.15 0.78 115.31 120.78 1su1 h LEU 21 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1su1 h LEU 21 Cb 0.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1su1 h LEU 21 CO -0.00 0.07 -0.75 -0.08 0.09 0.00 0.00 178.44 177.77 1su1 h GLU 22 N 0.00 0.38 -0.15 1.13 4.81 -1.08 -2.70 114.58 116.98 1su1 h GLU 22 Ca -0.00 -0.51 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 1su1 h GLU 22 Cb 0.19 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1su1 h GLU 22 CO 0.01 1.19 -0.26 -0.07 -0.73 0.00 0.00 179.01 179.14 1su1 h LEU 23 N -0.18 0.26 -0.16 1.64 3.38 -0.84 -1.85 115.31 117.56 1su1 h LEU 23 Ca -0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1su1 h LEU 23 Cb 1.50 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1su1 h LEU 23 CO 0.14 0.53 0.03 0.15 0.09 0.00 0.00 178.44 179.39 1su1 h PHE 24 N 0.24 0.28 -0.87 1.13 -0.00 -0.90 0.44 116.94 117.26 1su1 h PHE 24 Ca 0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 1su1 h PHE 24 Cb 0.59 -0.08 -0.04 0.00 -0.00 0.00 0.00 35.95 36.43 1su1 h PHE 24 CO 0.01 0.42 0.45 0.00 -0.00 0.00 0.00 178.31 179.20 1su1 h ALA 25 N 0.83 1.12 0.00 2.41 0.00 -1.24 -2.94 119.26 119.44 1su1 h ALA 25 Ca 0.05 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1su1 h ALA 25 Cb 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1su1 h ALA 25 CO 0.00 0.66 -0.78 1.96 0.00 0.00 0.00 179.25 181.09 1su1 h GLN 26 N 1.23 0.00 -0.46 0.00 4.20 -1.22 -3.30 115.11 115.56 1su1 h GLN 26 Ca 0.30 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.90 1su1 h GLN 26 Cb 0.07 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1su1 h GLN 26 CO -0.04 0.78 -0.17 0.66 -0.67 0.00 0.00 178.83 179.38 1su1 h SER 27 N 0.00 0.91 0.00 1.46 4.64 -0.74 -3.47 113.55 116.35 1su1 h SER 27 Ca -0.01 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1su1 h SER 27 Cb 1.51 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1su1 h SER 27 CO 0.10 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.73 1su1 n GLY 28 N -0.25 1.23 3.37 -0.77 0.00 -1.13 -5.04 105.19 102.61 1su1 n GLY 28 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1su1 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1su1 n ALA 29 N -1.65 -2.14 -0.00 4.61 0.00 -1.26 -4.92 120.51 115.15 1su1 n ALA 29 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1su1 n ALA 29 Cb 0.00 -1.63 -0.14 0.00 0.00 0.00 0.00 19.45 17.68 1su1 n ALA 29 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1su1 h GLN 30 N 0.39 0.02 -4.86 0.00 4.20 -1.85 -3.48 115.11 109.52 1su1 h GLN 30 Ca -0.41 -0.04 -0.31 0.00 0.06 0.00 0.00 58.65 57.95 1su1 h GLN 30 Cb 1.42 0.01 -0.20 0.00 0.30 0.00 0.00 27.48 29.02 1su1 h GLN 30 CO 0.47 0.64 -0.74 -1.58 -0.67 0.00 0.00 178.83 176.95 1su1 s TRP 31 N -2.62 0.92 -0.25 2.96 0.51 -1.26 -4.86 118.94 114.34 1su1 s TRP 31 Ca -0.04 -0.57 -0.00 0.00 -2.12 0.00 0.00 56.10 53.37 1su1 s TRP 31 Cb 0.08 -0.53 0.04 0.00 -0.81 0.00 0.00 33.47 32.25 1su1 s TRP 31 CO 0.82 -0.03 -0.08 -1.17 -0.51 0.00 0.00 176.95 175.98 1su1 s LEU 32 N -1.97 3.27 -0.25 2.99 2.96 0.16 -2.19 118.68 123.65 1su1 s LEU 32 Ca -0.02 -1.05 -0.16 0.00 -0.22 0.00 0.00 54.13 52.67 1su1 s LEU 32 Cb -0.07 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1su1 s LEU 32 CO 0.00 -0.15 0.45 -0.69 -1.32 0.00 0.00 176.35 174.63 1su1 s VAL 33 N 1.25 5.13 -0.28 1.68 1.01 0.03 -1.99 120.40 127.23 1su1 s VAL 33 Ca -0.03 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1su1 s VAL 33 Cb -0.18 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1su1 s VAL 33 CO -0.05 0.14 0.02 -0.63 0.00 0.00 0.00 175.10 174.58 1su1 s ILE 34 N 2.07 3.46 -1.25 2.22 1.01 -0.54 -1.16 121.20 127.02 1su1 s ILE 34 Ca 0.19 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1su1 s ILE 34 Cb -0.16 -2.80 0.09 0.00 0.01 0.00 0.00 42.46 39.61 1su1 s ILE 34 CO 0.09 0.10 0.78 0.18 0.00 0.00 0.00 174.94 176.09 1su1 n LEU 35 N 4.77 1.23 0.00 2.97 4.77 -0.80 -2.91 117.00 127.03 1su1 n LEU 35 Ca -0.15 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1su1 n LEU 35 Cb 0.47 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1su1 n LEU 35 CO 0.29 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1su1 n GLY 36 N 0.25 1.95 2.98 -0.72 0.00 -1.21 -4.16 105.19 104.28 1su1 n GLY 36 Ca 0.03 -2.00 -0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 -7.39 -0.10 1.61 9.92 -1.26 -2.07 116.55 117.26 1su1 n ASP 37 Ca 0.00 -0.11 -0.24 0.00 -0.53 0.00 0.00 54.79 53.92 1su1 n ASP 37 Cb 0.00 -5.06 -0.11 0.00 -0.64 0.00 0.00 41.12 35.31 1su1 n ASP 37 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1su1 n VAL 38 N -1.82 1.57 -0.07 2.53 0.31 -1.26 -1.21 118.33 118.37 1su1 n VAL 38 Ca -0.00 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.97 1su1 n VAL 38 Cb 0.51 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 1su1 n VAL 38 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1su1 n LEU 39 N -4.18 2.80 -4.67 7.52 4.77 -1.26 -1.18 117.00 120.80 1su1 n LEU 39 Ca -0.39 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 1su1 n LEU 39 Cb 0.81 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1su1 n LEU 39 CO 0.18 0.71 1.19 0.21 -1.33 0.00 0.00 177.39 178.35 1su1 s ASN 40 N -5.52 6.82 0.51 -1.43 3.84 -1.26 -2.27 114.94 115.62 1su1 s ASN 40 Ca -0.20 2.03 0.15 0.00 0.21 0.00 0.00 52.86 55.05 1su1 s ASN 40 Cb 0.05 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.45 1su1 s ASN 40 CO 0.33 -0.80 2.14 1.12 -2.79 0.00 0.00 177.10 177.10 1su1 h HIS 41 N 8.51 0.04 0.00 0.43 2.07 -1.95 -3.40 115.15 120.85 1su1 h HIS 41 Ca -0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 1su1 h HIS 41 Cb 1.16 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1su1 h HIS 41 CO 0.81 0.03 0.00 0.41 -3.07 0.00 0.00 177.93 176.11 1su1 n GLY 42 N -1.54 1.96 0.33 6.13 0.00 -1.26 -4.67 105.19 106.14 1su1 n GLY 42 Ca -0.02 -1.18 0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 0.07 -0.63 1.61 0.11 -1.99 -0.64 132.00 130.52 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 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1su1 h PRO 43 CO 0.00 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 178.37 1su1 n ARG 44 N -5.37 2.73 -4.28 1.05 1.74 -1.26 -4.94 116.66 106.34 1su1 n ARG 44 Ca 0.25 -2.33 -0.27 0.00 -0.77 0.00 0.00 57.85 54.73 1su1 n ARG 44 Cb 0.82 -1.59 -0.09 0.00 -1.02 0.00 0.00 32.46 30.58 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 -0.95 4.34 0.55 0.55 0.01 -0.25 -5.12 114.94 114.07 1su1 s ASN 45 Ca 0.43 -0.55 -0.15 0.00 -0.71 0.00 0.00 52.86 51.88 1su1 s ASN 45 Cb 0.24 -0.77 -0.07 0.00 0.41 0.00 0.00 41.25 41.07 1su1 s ASN 45 CO 0.26 0.10 1.00 0.00 -1.51 0.00 0.00 177.10 176.96 1su1 s ALA 46 N -1.71 3.04 0.35 0.60 0.00 -1.26 -4.77 121.76 118.01 1su1 s ALA 46 Ca 0.25 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1su1 s ALA 46 Cb -0.09 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 1su1 s ALA 46 CO 0.16 -0.40 1.47 -0.51 0.00 0.00 0.00 175.76 176.48 1su1 s LEU 47 N -4.37 4.34 0.81 0.00 1.43 -1.26 -4.96 118.68 114.66 1su1 s LEU 47 Ca 0.58 2.97 -0.10 0.00 -1.03 0.00 0.00 54.13 56.55 1su1 s LEU 47 Cb -0.11 -3.66 0.11 0.00 0.03 0.00 0.00 46.19 42.56 1su1 s LEU 47 CO 0.37 -0.83 1.15 -2.16 0.23 0.00 0.00 176.35 175.11 1su1 s PRO 48 N -1.77 1.68 0.18 1.29 0.04 -1.26 -4.97 135.00 130.19 1su1 s PRO 48 Ca 0.54 -0.22 -0.33 0.00 0.04 0.00 0.00 61.00 61.03 1su1 s PRO 48 Cb -0.46 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 31.92 1su1 s PRO 48 CO 0.59 -1.68 1.41 -1.91 0.04 0.00 0.00 177.00 175.45 1su1 n GLU 49 N -3.27 1.81 -3.75 4.56 2.13 -1.26 -2.55 120.64 118.31 1su1 n GLU 49 Ca 0.10 0.65 -0.29 0.00 0.66 0.00 0.00 57.16 58.28 1su1 n GLU 49 Cb 0.60 -2.31 0.02 0.00 0.27 0.00 0.00 31.44 30.02 1su1 n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1su1 n GLY 50 N 2.59 -0.50 3.68 8.31 0.00 -1.26 -4.07 105.19 113.94 1su1 n GLY 50 Ca 0.15 0.17 -0.50 0.00 0.00 0.00 0.00 46.02 45.84 1su1 n GLY 50 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1su1 n TYR 51 N -4.52 2.23 -2.72 1.61 9.36 -1.06 -2.07 117.16 120.00 1su1 n TYR 51 Ca 0.02 0.16 -0.06 0.00 3.32 0.00 0.00 57.90 61.34 1su1 n TYR 51 Cb 0.53 -2.60 0.06 0.00 -0.63 0.00 0.00 39.34 36.70 1su1 n TYR 51 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1su1 n ALA 52 N 5.79 -2.31 -0.31 2.98 0.00 -0.17 -4.90 120.51 121.58 1su1 n ALA 52 Ca 0.22 -0.93 0.02 0.00 0.00 0.00 0.00 53.44 52.76 1su1 n ALA 52 Cb 0.26 -2.10 0.10 0.00 0.00 0.00 0.00 19.45 17.70 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 3.79 -0.01 0.00 0.00 0.11 -1.83 0.19 132.00 134.25 1su1 h PRO 53 Ca -0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 1su1 h PRO 53 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1su1 h PRO 53 CO 0.11 -0.01 -0.01 0.00 -0.21 0.00 0.00 178.00 177.88 1su1 h ALA 54 N 1.74 1.33 0.01 -0.75 0.00 -1.96 -0.62 119.26 119.02 1su1 h ALA 54 Ca 0.40 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.99 1su1 h ALA 54 Cb 0.63 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1su1 h ALA 54 CO -0.89 0.01 -1.81 1.63 0.00 0.00 0.00 179.25 178.18 1su1 n LYS 55 N -3.57 0.65 -0.23 0.00 4.01 0.58 -3.20 118.16 116.39 1su1 n LYS 55 Ca -0.03 0.26 -0.08 0.00 -0.51 0.00 0.00 58.31 57.95 1su1 n LYS 55 Cb 0.09 -1.75 0.03 0.00 -0.51 0.00 0.00 35.03 32.89 1su1 n LYS 55 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1su1 h VAL 56 N 0.01 1.27 -0.35 -0.18 2.07 -0.53 -2.43 116.25 116.10 1su1 h VAL 56 Ca -0.33 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.15 1su1 h VAL 56 Cb 2.04 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 1su1 h VAL 56 CO 0.07 0.40 0.12 0.58 0.02 0.00 0.00 177.57 178.77 1su1 h VAL 57 N 1.02 0.90 -0.73 2.57 2.07 -1.24 0.81 116.25 121.65 1su1 h VAL 57 Ca 0.19 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 1su1 h VAL 57 Cb 0.49 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1su1 h VAL 57 CO 0.02 0.05 0.28 -0.33 0.02 0.00 0.00 177.57 177.61 1su1 h GLU 58 N 0.27 1.09 -0.01 1.57 5.08 -1.47 -0.91 114.58 120.20 1su1 h GLU 58 Ca 0.16 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1su1 h GLU 58 Cb 0.13 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1su1 h GLU 58 CO -0.16 0.89 -0.01 0.00 -1.00 0.00 0.00 179.01 178.74 1su1 h ARG 59 N 1.07 0.02 -0.82 2.33 2.47 -0.96 -3.25 114.38 115.23 1su1 h ARG 59 Ca 0.25 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 1su1 h ARG 59 Cb 0.22 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 1su1 h ARG 59 CO -0.02 0.52 0.42 -0.07 0.56 0.00 0.00 179.97 181.39 1su1 h LEU 60 N -0.49 1.05 0.00 3.04 3.38 -0.81 -2.34 115.31 119.14 1su1 h LEU 60 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1su1 h LEU 60 Cb 0.52 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1su1 h LEU 60 CO 0.00 0.86 0.00 0.59 0.09 0.00 0.00 178.44 179.98 1su1 n ASN 61 N -4.33 0.00 0.20 -0.43 5.03 -0.35 -1.73 115.26 113.65 1su1 n ASN 61 Ca 0.08 0.47 0.12 0.00 0.87 0.00 0.00 54.58 56.12 1su1 n ASN 61 Cb 0.12 -0.48 0.15 0.00 -1.02 0.00 0.00 39.78 38.55 1su1 n ASN 61 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1su1 h GLU 62 N 0.00 0.00 0.00 3.52 5.08 -1.46 -3.24 114.58 118.47 1su1 h GLU 62 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1su1 h GLU 62 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1su1 h GLU 62 CO 0.00 0.00 -0.36 1.33 -1.00 0.00 0.00 179.01 178.98 1su1 n VAL 63 N -3.00 1.91 -0.24 3.13 0.24 -0.70 -4.81 118.33 114.86 1su1 n VAL 63 Ca 0.03 -2.70 0.13 0.00 -2.04 0.00 0.00 64.34 59.77 1su1 n VAL 63 Cb 0.53 -0.15 0.42 0.00 -1.47 0.00 0.00 33.84 33.17 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 0.63 1.92 0.00 2.33 0.00 -1.55 -0.36 119.26 122.23 1su1 h ALA 64 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su1 h ALA 64 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1su1 h ALA 64 CO 0.01 -0.16 0.00 -2.39 0.00 0.00 0.00 179.25 176.71 1su1 n HIS 65 N -4.54 0.03 -0.35 0.00 1.44 -1.26 -2.58 115.22 107.96 1su1 n HIS 65 Ca 0.17 0.01 0.05 0.00 -2.01 0.00 0.00 57.72 55.93 1su1 n HIS 65 Cb 0.49 -0.52 0.13 0.00 0.12 0.00 0.00 29.99 30.21 1su1 n HIS 65 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1su1 n LYS 66 N -1.52 2.76 -4.21 -1.40 5.02 -0.15 -5.01 118.16 113.65 1su1 n LYS 66 Ca 0.04 -2.07 -0.35 0.00 -2.02 0.00 0.00 58.31 53.90 1su1 n LYS 66 Cb 0.19 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.49 4.67 -0.11 -0.18 1.01 -1.06 -0.66 120.40 122.57 1su1 s VAL 67 Ca 0.20 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1su1 s VAL 67 Cb 0.14 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1su1 s VAL 67 CO 0.09 0.59 -0.18 -0.63 0.00 0.00 0.00 175.10 174.97 1su1 s ILE 68 N -0.76 1.70 0.08 2.22 1.01 -0.84 -4.89 121.20 119.72 1su1 s ILE 68 Ca 0.12 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 1su1 s ILE 68 Cb -0.12 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.83 1su1 s ILE 68 CO 0.03 0.48 0.19 0.00 0.00 0.00 0.00 174.94 175.63 1su1 s ALA 69 N 0.81 -0.23 0.17 9.38 0.00 -1.26 -1.46 121.76 129.18 1su1 s ALA 69 Ca -0.09 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.36 1su1 s ALA 69 Cb -0.16 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1su1 s ALA 69 CO 0.00 -0.48 -0.16 0.14 0.00 0.00 0.00 175.76 175.26 1su1 s VAL 70 N -3.67 1.68 -0.11 0.00 -7.23 -1.15 -4.51 120.40 105.42 1su1 s VAL 70 Ca 0.03 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 1su1 s VAL 70 Cb 0.04 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 1su1 s VAL 70 CO -0.10 -0.47 1.50 -0.60 -0.31 0.00 0.00 175.10 175.13 1su1 s ARG 71 N -3.16 4.17 0.54 4.82 3.52 0.80 -3.34 118.95 126.31 1su1 s ARG 71 Ca 0.17 1.96 -0.07 0.00 -0.13 0.00 0.00 55.73 57.65 1su1 s ARG 71 Cb -0.03 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 1su1 s ARG 71 CO 0.06 -0.82 0.89 0.20 -0.81 0.00 0.00 175.30 174.81 1su1 s GLY 72 N 2.89 1.56 0.62 8.12 0.00 -1.26 -4.46 107.32 114.78 1su1 s GLY 72 Ca 0.66 -0.36 0.39 0.00 0.00 0.00 0.00 44.72 45.41 1su1 s GLY 72 CO 0.24 -0.14 2.25 3.45 0.00 0.00 0.00 173.10 178.89 1su1 h ASN 73 N -0.01 0.00 0.01 1.64 -1.07 -1.95 -2.12 115.58 112.08 1su1 h ASN 73 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 1su1 h ASN 73 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1su1 h ASN 73 CO 0.62 0.02 -0.14 0.00 0.07 0.00 0.00 177.43 178.00 1su1 s ASP 75 N -2.17 7.26 0.36 0.00 1.01 -0.80 -4.62 116.67 117.71 1su1 s ASP 75 Ca 0.28 1.54 0.04 0.00 0.71 0.00 0.00 52.55 55.12 1su1 s ASP 75 Cb 0.20 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1su1 s ASP 75 CO 0.40 0.18 0.14 -0.94 0.21 0.00 0.00 175.17 175.16 1su1 s SER 76 N -1.27 2.25 0.27 0.27 1.04 -1.26 -4.85 113.70 110.15 1su1 s SER 76 Ca 0.37 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1su1 s SER 76 Cb -0.21 0.40 0.54 0.00 0.10 0.00 0.00 66.02 66.85 1su1 s SER 76 CO 0.24 -0.89 1.82 -0.33 0.98 0.00 0.00 173.24 175.06 1su1 h GLU 77 N 1.99 0.87 -0.33 4.02 5.08 -2.00 0.68 114.58 124.90 1su1 h GLU 77 Ca -0.35 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 1su1 h GLU 77 Cb 1.26 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1su1 h GLU 77 CO 0.55 0.58 0.01 -0.24 -1.00 0.00 0.00 179.01 178.91 1su1 h VAL 78 N 0.90 1.19 -0.43 3.13 3.04 -1.99 -1.85 116.25 120.23 1su1 h VAL 78 Ca 0.48 -0.72 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1su1 h VAL 78 Cb 0.52 0.93 -0.02 0.00 -2.01 0.00 0.00 31.29 30.70 1su1 h VAL 78 CO -0.28 0.25 0.23 0.44 -1.01 0.00 0.00 177.57 177.19 1su1 h ASP 79 N 0.48 0.55 -0.44 3.17 3.32 -1.27 -2.23 116.42 119.99 1su1 h ASP 79 Ca 0.11 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1su1 h ASP 79 Cb 0.29 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1su1 h ASP 79 CO 0.01 0.49 0.18 -0.61 -1.72 0.00 0.00 179.24 177.59 1su1 h GLN 80 N 0.56 0.71 0.00 3.56 5.75 -1.01 -1.11 115.11 123.57 1su1 h GLN 80 Ca 0.15 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1su1 h GLN 80 Cb 0.07 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.50 1su1 h GLN 80 CO -0.02 0.60 -0.05 1.98 -2.65 0.00 0.00 178.83 178.69 1su1 h MET 81 N 0.71 0.00 0.03 1.69 4.05 -0.76 -3.07 114.93 117.57 1su1 h MET 81 Ca 0.17 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.22 1su1 h MET 81 Cb 0.16 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.91 1su1 h MET 81 CO -0.01 0.05 -2.25 1.28 0.23 0.00 0.00 176.91 176.21 1su1 n LEU 82 N -3.48 1.83 -4.70 3.39 4.77 -0.62 -4.92 117.00 113.26 1su1 n LEU 82 Ca -0.02 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 1su1 n LEU 82 Cb 0.17 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1su1 n LEU 82 CO 0.27 0.73 0.55 -0.76 -1.33 0.00 0.00 177.39 176.84 1su1 s LEU 83 N -6.30 4.30 -0.00 2.23 1.43 -0.52 -4.96 118.68 114.86 1su1 s LEU 83 Ca -0.21 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1su1 s LEU 83 Cb 0.08 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 43.03 1su1 s LEU 83 CO 0.73 -0.23 0.72 1.41 0.23 0.00 0.00 176.35 179.21 1su1 n HIS 84 N 4.17 0.05 -4.12 0.29 8.25 -1.26 -4.77 115.22 117.83 1su1 n HIS 84 Ca 0.03 -0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1su1 n HIS 84 Cb 0.51 -0.07 -0.11 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.41 0.93 -0.06 4.41 -0.12 -1.26 -4.89 117.98 115.59 1su1 s PHE 85 Ca 0.02 -0.53 -0.30 0.00 -0.05 0.00 0.00 56.93 56.07 1su1 s PHE 85 Cb 0.01 -0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 41.81 1su1 s PHE 85 CO 0.01 -0.02 1.63 -2.14 -0.05 0.00 0.00 175.22 174.65 1su1 s PRO 86 N -1.94 4.18 0.00 1.99 0.02 -1.26 -4.91 135.00 133.08 1su1 s PRO 86 Ca -0.04 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1su1 s PRO 86 Cb -0.08 -3.97 0.00 0.00 0.02 0.00 0.00 34.50 30.46 1su1 s PRO 86 CO 0.01 -0.84 0.00 0.44 -0.33 0.00 0.00 177.00 176.28 1su1 n ILE 87 N 5.47 0.00 0.25 2.83 -5.35 -1.26 -4.00 119.36 117.30 1su1 n ILE 87 Ca 0.17 -0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.53 1su1 n ILE 87 Cb 0.43 0.75 0.57 0.00 -1.74 0.00 0.00 39.64 39.65 1su1 n ILE 87 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1su1 n THR 88 N -1.06 0.94 -2.28 7.28 -2.24 -1.26 -0.14 114.28 115.51 1su1 n THR 88 Ca 0.00 0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 61.92 1su1 n THR 88 Cb 0.00 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 66.66 1su1 n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1su1 s ALA 89 N -3.49 3.54 0.53 6.98 0.00 -1.26 -4.61 121.76 123.46 1su1 s ALA 89 Ca -0.00 0.87 0.26 0.00 0.00 0.00 0.00 51.96 53.09 1su1 s ALA 89 Cb 0.07 -3.55 1.61 0.00 0.00 0.00 0.00 23.12 21.25 1su1 s ALA 89 CO 0.28 -0.78 2.18 -1.35 0.00 0.00 0.00 175.76 176.09 1su1 h PRO 90 N 7.48 0.00 -2.27 0.00 0.11 -1.88 0.04 132.00 135.48 1su1 h PRO 90 Ca -0.38 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.78 1su1 h PRO 90 Cb 1.18 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 1su1 h PRO 90 CO 0.88 0.04 0.41 1.67 -0.21 0.00 0.00 178.00 180.79 1su1 s TRP 91 N -4.58 -0.43 -0.05 0.65 1.48 -1.26 -4.33 118.94 110.42 1su1 s TRP 91 Ca -0.04 0.42 -0.11 0.00 -1.06 0.00 0.00 56.10 55.31 1su1 s TRP 91 Cb 0.15 0.51 0.02 0.00 -1.16 0.00 0.00 33.47 32.99 1su1 s TRP 91 CO 0.58 -0.58 0.26 -0.65 -4.06 0.00 0.00 176.95 172.50 1su1 s GLN 92 N -2.66 0.48 -0.01 3.25 -0.21 -0.62 -5.02 119.66 114.87 1su1 s GLN 92 Ca 0.01 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1su1 s GLN 92 Cb -0.01 0.21 -0.04 0.00 1.00 0.00 0.00 33.01 34.18 1su1 s GLN 92 CO -0.06 -0.10 0.05 -0.65 -2.12 0.00 0.00 175.29 172.41 1su1 s GLN 93 N -0.66 2.98 -0.18 2.91 -0.21 -1.26 -0.45 119.66 122.80 1su1 s GLN 93 Ca -0.08 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1su1 s GLN 93 Cb -0.04 -2.80 0.03 0.00 1.00 0.00 0.00 33.01 31.19 1su1 s GLN 93 CO 0.02 0.64 -0.17 0.08 -2.12 0.00 0.00 175.29 173.74 1su1 s VAL 94 N -1.15 1.90 -0.20 1.09 1.01 0.41 -4.96 120.40 118.50 1su1 s VAL 94 Ca 0.21 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 1su1 s VAL 94 Cb -0.12 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1su1 s VAL 94 CO 0.12 0.44 0.75 -0.76 0.00 0.00 0.00 175.10 175.65 1su1 s LEU 95 N 1.34 4.14 0.39 3.92 1.02 -1.26 -0.97 118.68 127.25 1su1 s LEU 95 Ca 0.03 1.00 0.08 0.00 0.02 0.00 0.00 54.13 55.26 1su1 s LEU 95 Cb -0.14 -3.08 -0.06 0.00 0.02 0.00 0.00 46.19 42.93 1su1 s LEU 95 CO -0.11 -0.38 0.09 -0.76 0.02 0.00 0.00 176.35 175.21 1su1 s LEU 96 N 2.22 3.01 0.12 1.79 1.43 -0.52 -5.02 118.68 121.71 1su1 s LEU 96 Ca 0.34 -1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 51.99 1su1 s LEU 96 Cb -0.16 -1.26 -0.11 0.00 0.03 0.00 0.00 46.19 44.69 1su1 s LEU 96 CO 0.10 -0.43 1.51 -0.33 0.23 0.00 0.00 176.35 177.43 1su1 h GLU 97 N 1.63 -0.43 -0.50 1.70 5.08 -2.04 -3.20 114.58 116.82 1su1 h GLU 97 Ca -0.43 0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 57.72 1su1 h GLU 97 Cb 1.25 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.45 1su1 h GLU 97 CO 0.72 -0.28 0.10 1.63 -1.00 0.00 0.00 179.01 180.18 1su1 n LYS 98 N -5.21 2.11 0.00 2.33 5.02 -1.26 -5.03 118.16 116.12 1su1 n LYS 98 Ca -0.04 -3.12 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 1su1 n LYS 98 Cb 0.33 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1su1 n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1su1 n GLN 99 N -1.03 0.00 -4.42 1.97 10.64 -1.21 -5.00 117.38 118.32 1su1 n GLN 99 Ca 0.38 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 55.23 1su1 n GLN 99 Cb 1.18 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 30.46 1su1 n GLN 99 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1su1 s ARG 100 N -2.00 2.64 -0.17 2.61 0.52 -1.26 -1.43 118.95 119.85 1su1 s ARG 100 Ca 0.00 -0.67 -0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1su1 s ARG 100 Cb 0.00 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 1su1 s ARG 100 CO 0.00 0.61 -0.05 -0.51 0.02 0.00 0.00 175.30 175.37 1su1 s LEU 101 N -1.40 3.03 -0.43 2.53 1.43 -0.15 -1.13 118.68 122.57 1su1 s LEU 101 Ca 0.17 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 1su1 s LEU 101 Cb -0.11 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.45 1su1 s LEU 101 CO 0.08 0.10 0.28 0.12 0.23 0.00 0.00 176.35 177.16 1su1 s PHE 102 N 0.75 3.32 -0.17 0.29 2.19 0.32 -0.45 117.98 124.23 1su1 s PHE 102 Ca -0.02 -1.41 -0.16 0.00 0.33 0.00 0.00 56.93 55.67 1su1 s PHE 102 Cb -0.15 -2.98 -0.04 0.00 -1.31 0.00 0.00 43.02 38.55 1su1 s PHE 102 CO 0.02 -0.83 0.40 -0.51 1.83 0.00 0.00 175.22 176.13 1su1 s LEU 103 N 1.47 4.20 0.04 6.12 1.43 0.41 -0.69 118.68 131.66 1su1 s LEU 103 Ca 0.03 0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 53.48 1su1 s LEU 103 Cb -0.23 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.51 1su1 s LEU 103 CO 0.03 -0.02 0.56 0.28 0.23 0.00 0.00 176.35 177.43 1su1 s THR 104 N 0.98 0.02 0.04 5.49 -1.32 -0.65 -1.59 115.64 118.60 1su1 s THR 104 Ca 0.20 -0.16 -0.24 0.00 -1.21 0.00 0.00 61.69 60.29 1su1 s THR 104 Cb -0.14 -0.98 -0.16 0.00 -1.51 0.00 0.00 72.50 69.71 1su1 s THR 104 CO 0.08 -0.09 1.49 -0.74 -2.21 0.00 0.00 174.62 173.15 1su1 h HIS 105 N 2.75 0.08 0.00 9.09 2.76 -1.75 -3.31 115.15 124.77 1su1 h HIS 105 Ca -0.30 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1su1 h HIS 105 Cb 1.21 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.15 1su1 h HIS 105 CO 0.35 0.32 0.00 0.41 -1.30 0.00 0.00 177.93 177.71 1su1 n GLY 106 N -0.37 1.16 0.09 5.26 0.00 -1.21 -0.06 105.19 110.06 1su1 n GLY 106 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1su1 n GLY 106 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1su1 h HIS 107 N 0.00 0.00 0.00 1.61 2.07 -1.93 -3.39 115.15 113.52 1su1 h HIS 107 Ca 0.00 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 57.09 1su1 h HIS 107 Cb 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.91 1su1 h HIS 107 CO 0.00 0.83 -2.47 1.28 -3.07 0.00 0.00 177.93 174.50 1su1 n LEU 108 N -3.25 2.22 -4.27 6.12 4.77 -1.26 -4.98 117.00 116.34 1su1 n LEU 108 Ca -0.02 0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.88 1su1 n LEU 108 Cb 0.88 -0.81 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 1su1 n LEU 108 CO 0.45 0.67 -0.53 -0.36 -1.33 0.00 0.00 177.39 176.28 1su1 s PHE 109 N -2.49 1.93 -1.86 -1.77 0.08 -1.26 -4.84 117.98 107.77 1su1 s PHE 109 Ca -0.36 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.31 1su1 s PHE 109 Cb 0.13 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 1su1 s PHE 109 CO 0.50 0.10 0.00 0.41 -0.10 0.00 0.00 175.22 176.14 1su1 n GLY 110 N 1.80 -0.99 0.41 4.36 0.00 -1.06 -3.35 105.19 106.36 1su1 n GLY 110 Ca -0.17 -0.89 0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 0.00 1.61 0.11 -2.00 0.05 132.00 131.77 1su1 h PRO 111 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1su1 h PRO 111 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1su1 h PRO 111 CO 0.00 0.00 -0.95 0.39 -0.21 0.00 0.00 178.00 177.23 1su1 n GLU 112 N -3.48 0.34 -3.24 1.05 -0.58 -1.26 -4.60 120.64 108.87 1su1 n GLU 112 Ca 0.10 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.60 1su1 n GLU 112 Cb 0.81 -1.45 -0.08 0.00 -0.57 0.00 0.00 31.44 30.15 1su1 n GLU 112 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1su1 n ASN 113 N -1.48 -0.38 -4.76 1.62 4.05 -0.02 -5.13 115.26 109.17 1su1 n ASN 113 Ca 0.04 -2.59 -0.41 0.00 0.45 0.00 0.00 54.58 52.08 1su1 n ASN 113 Cb 0.31 -0.41 -0.03 0.00 1.23 0.00 0.00 39.78 40.88 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 -0.55 4.47 0.40 1.20 1.43 -1.08 -2.58 118.68 121.98 1su1 s LEU 114 Ca 0.34 2.49 -0.09 0.00 -1.03 0.00 0.00 54.13 55.84 1su1 s LEU 114 Cb 0.11 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.64 1su1 s LEU 114 CO -0.15 -0.38 0.74 -2.84 0.23 0.00 0.00 176.35 173.95 1su1 s PRO 115 N -1.44 3.71 -0.01 1.29 0.02 -1.26 -5.01 135.00 132.30 1su1 s PRO 115 Ca 0.48 0.35 -0.30 0.00 0.02 0.00 0.00 61.00 61.55 1su1 s PRO 115 Cb -0.36 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.68 1su1 s PRO 115 CO 0.46 -0.04 1.33 0.00 -0.33 0.00 0.00 177.00 178.43 1su1 s ALA 116 N -2.41 3.55 0.21 -1.55 0.00 -1.26 -5.00 121.76 115.30 1su1 s ALA 116 Ca 0.49 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 1su1 s ALA 116 Cb -0.10 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1su1 s ALA 116 CO 0.34 -0.85 0.19 -0.51 0.00 0.00 0.00 175.76 174.93 1su1 s LEU 117 N 2.29 1.03 0.30 0.00 1.43 -1.26 -5.16 118.68 117.30 1su1 s LEU 117 Ca 0.61 -1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1su1 s LEU 117 Cb -0.29 0.61 -0.06 0.00 0.03 0.00 0.00 46.19 46.49 1su1 s LEU 117 CO 0.25 -0.90 0.58 0.20 0.23 0.00 0.00 176.35 176.71 1su1 s ASN 118 N -3.14 6.47 0.17 2.29 0.02 -1.26 -5.00 114.94 114.49 1su1 s ASN 118 Ca 0.36 0.79 -0.33 0.00 -1.02 0.00 0.00 52.86 52.66 1su1 s ASN 118 Cb 0.06 -2.17 -0.15 0.00 0.02 0.00 0.00 41.25 39.01 1su1 s ASN 118 CO 0.12 -0.21 1.41 1.67 0.02 0.00 0.00 177.10 180.11 1su1 n GLN 119 N -0.90 1.74 -0.99 -0.60 7.27 -1.26 -1.10 117.38 121.54 1su1 n GLN 119 Ca -0.01 0.62 0.00 0.00 0.07 0.00 0.00 57.00 57.68 1su1 n GLN 119 Cb 0.54 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.90 1su1 n GLN 119 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1su1 n ASN 120 N 2.62 -2.07 -4.58 1.69 3.02 0.27 -4.97 115.26 111.23 1su1 n ASN 120 Ca 0.15 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.41 1su1 n ASN 120 Cb 0.27 -0.53 0.14 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.33 3.48 -0.11 6.41 1.01 -0.26 -4.75 116.67 120.12 1su1 s ASP 121 Ca 0.00 0.72 0.02 0.00 0.71 0.00 0.00 52.55 54.00 1su1 s ASP 121 Cb 0.00 -1.12 0.01 0.00 1.01 0.00 0.00 42.92 42.83 1su1 s ASP 121 CO 0.00 -2.55 -0.17 -0.69 0.21 0.00 0.00 175.17 171.97 1su1 s VAL 122 N -3.48 1.65 -0.40 -1.27 1.01 -0.28 -1.79 120.40 115.83 1su1 s VAL 122 Ca 0.66 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1su1 s VAL 122 Cb -0.11 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1su1 s VAL 122 CO 0.52 0.47 0.73 -0.22 0.00 0.00 0.00 175.10 176.61 1su1 s LEU 123 N 0.82 4.25 -0.24 3.92 0.20 0.35 -0.52 118.68 127.45 1su1 s LEU 123 Ca -0.09 0.06 -0.05 0.00 0.69 0.00 0.00 54.13 54.73 1su1 s LEU 123 Cb -0.16 -2.91 -0.01 0.00 -0.43 0.00 0.00 46.19 42.68 1su1 s LEU 123 CO 0.00 -0.77 0.01 -0.69 -0.29 0.00 0.00 176.35 174.61 1su1 s VAL 124 N 3.05 3.73 0.24 1.68 1.01 0.14 -0.63 120.40 129.62 1su1 s VAL 124 Ca 0.28 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 1su1 s VAL 124 Cb -0.13 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1su1 s VAL 124 CO 0.19 0.36 0.49 -0.72 0.00 0.00 0.00 175.10 175.42 1su1 s TYR 125 N 1.52 0.28 0.00 5.22 -0.85 -0.60 -1.64 117.35 121.28 1su1 s TYR 125 Ca 0.06 -0.65 0.00 0.00 -0.52 0.00 0.00 57.07 55.96 1su1 s TYR 125 Cb -0.15 0.24 0.00 0.00 0.38 0.00 0.00 41.96 42.43 1su1 s TYR 125 CO -0.00 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 173.44 1su1 n GLY 126 N -0.38 3.75 4.54 5.49 0.00 0.91 -4.05 105.19 115.46 1su1 n GLY 126 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.25 1.61 -0.00 -1.14 -4.55 115.22 111.40 1su1 n HIS 127 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1su1 n HIS 127 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.12 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 0.00 -0.46 3.57 1.35 -1.94 -3.48 112.91 111.95 1su1 h THR 128 Ca 0.00 -0.90 -0.20 0.00 -0.55 0.00 0.00 66.41 64.76 1su1 h THR 128 Cb 0.00 1.67 -0.08 0.00 -1.73 0.00 0.00 68.15 68.01 1su1 h THR 128 CO 0.00 0.00 -0.18 1.41 -0.25 0.00 0.00 175.52 176.50 1su1 n HIS 129 N -2.76 0.00 -4.54 4.73 8.25 -1.26 -4.79 115.22 114.85 1su1 n HIS 129 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.15 1su1 n HIS 129 Cb 0.52 -2.15 -0.14 0.00 1.12 0.00 0.00 29.99 29.34 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 -2.22 2.84 0.35 2.41 1.43 -1.26 -2.72 118.68 119.51 1su1 s LEU 130 Ca 0.00 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 1su1 s LEU 130 Cb 0.00 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 1su1 s LEU 130 CO 0.00 0.13 1.35 -2.84 0.23 0.00 0.00 176.35 175.22 1su1 s PRO 131 N 0.57 4.24 -0.14 1.29 0.02 -1.26 -4.32 135.00 135.41 1su1 s PRO 131 Ca -0.06 2.29 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 1su1 s PRO 131 Cb -0.15 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.40 1su1 s PRO 131 CO 0.03 -0.31 0.37 0.08 -0.33 0.00 0.00 177.00 176.84 1su1 s VAL 132 N -1.15 -0.00 -0.48 3.83 1.01 -0.23 -4.92 120.40 118.45 1su1 s VAL 132 Ca 0.51 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.56 1su1 s VAL 132 Cb -0.41 -0.52 0.19 0.00 0.00 0.00 0.00 36.38 35.64 1su1 s VAL 132 CO 0.55 0.01 0.76 0.00 0.00 0.00 0.00 175.10 176.41 1su1 s ALA 133 N 0.37 -2.46 0.25 5.51 0.00 -1.24 -1.09 121.76 123.10 1su1 s ALA 133 Ca -0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.62 1su1 s ALA 133 Cb -0.03 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.34 1su1 s ALA 133 CO -0.01 -2.27 0.59 -1.83 0.00 0.00 0.00 175.76 172.24 1su1 s GLU 134 N 1.10 1.63 -0.12 0.00 -1.05 -0.96 -4.19 118.70 115.11 1su1 s GLU 134 Ca 0.26 -1.07 -0.12 0.00 -0.15 0.00 0.00 54.97 53.89 1su1 s GLU 134 Cb 0.01 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.19 1su1 s GLU 134 CO -0.06 -0.71 0.26 -1.14 0.95 0.00 0.00 175.26 174.55 1su1 s GLN 135 N -3.95 3.98 -0.18 -4.83 0.74 -1.26 -0.52 119.66 113.63 1su1 s GLN 135 Ca 0.15 0.06 -0.04 0.00 0.05 0.00 0.00 55.36 55.59 1su1 s GLN 135 Cb -0.03 -3.33 0.06 0.00 1.10 0.00 0.00 33.01 30.81 1su1 s GLN 135 CO 0.06 0.47 0.07 1.03 -0.55 0.00 0.00 175.29 176.37 1su1 s ARG 136 N -0.22 0.30 5.08 1.67 0.52 0.22 -4.93 118.95 121.59 1su1 s ARG 136 Ca 0.17 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1su1 s ARG 136 Cb -0.13 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1su1 s ARG 136 CO 0.05 -0.66 0.00 0.41 0.02 0.00 0.00 175.30 175.12 1su1 n GLY 137 N 5.19 0.74 0.44 -3.53 0.00 -1.26 -3.13 105.19 103.64 1su1 n GLY 137 Ca -0.08 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 12.29 1.29 -4.56 1.61 0.00 -1.26 -4.94 120.64 125.06 1su1 n GLU 138 Ca 0.00 -0.89 -0.26 0.00 0.00 0.00 0.00 57.16 56.01 1su1 n GLU 138 Cb 0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 31.44 29.85 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 -2.33 1.68 0.05 3.84 -5.25 -1.18 0.96 121.20 118.96 1su1 s ILE 139 Ca 0.26 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.93 1su1 s ILE 139 Cb 0.19 -2.90 -0.04 0.00 2.95 0.00 0.00 42.46 42.66 1su1 s ILE 139 CO 0.47 0.00 0.14 -0.36 -1.79 0.00 0.00 174.94 173.40 1su1 s PHE 140 N -2.93 3.37 -0.09 1.37 0.40 -0.74 -0.61 117.98 118.76 1su1 s PHE 140 Ca 0.35 0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 1su1 s PHE 140 Cb 0.09 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1su1 s PHE 140 CO 0.17 0.56 -0.14 -1.01 0.70 0.00 0.00 175.22 175.50 1su1 s HIS 141 N -1.41 2.74 -0.03 0.36 3.76 0.32 -0.50 115.29 120.52 1su1 s HIS 141 Ca 0.31 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1su1 s HIS 141 Cb -0.13 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.87 1su1 s HIS 141 CO 0.23 -0.02 0.04 0.12 -0.85 0.00 0.00 174.74 174.26 1su1 s PHE 142 N -0.20 0.06 -0.14 1.40 5.36 0.20 -2.26 117.98 122.41 1su1 s PHE 142 Ca 0.00 0.18 -0.03 0.00 -0.96 0.00 0.00 56.93 56.12 1su1 s PHE 142 Cb -0.13 -0.36 0.05 0.00 -0.34 0.00 0.00 43.02 42.23 1su1 s PHE 142 CO 0.03 -0.14 0.05 1.21 -1.46 0.00 0.00 175.22 174.91 1su1 s ASN 143 N 1.60 2.19 0.00 6.13 3.84 -0.25 -1.56 114.94 126.89 1su1 s ASN 143 Ca -0.02 -0.47 0.12 0.00 0.21 0.00 0.00 52.86 52.70 1su1 s ASN 143 Cb -0.13 -0.37 0.73 0.00 -0.55 0.00 0.00 41.25 40.94 1su1 s ASN 143 CO -0.03 -0.29 1.21 -0.81 -2.79 0.00 0.00 177.10 174.39 1su1 n PRO 144 N 5.19 0.62 0.00 0.43 -0.04 -1.26 -1.07 135.00 138.87 1su1 n PRO 144 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1su1 n PRO 144 Cb 0.49 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.19 -1.63 3.79 0.55 0.00 -1.26 -3.25 105.19 103.59 1su1 n GLY 145 Ca 0.09 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.00 5.74 0.00 1.61 0.15 -1.26 -4.22 113.70 111.72 1su1 s SER 146 Ca 0.00 0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.08 1su1 s SER 146 Cb 0.00 -1.66 0.83 0.00 -1.71 0.00 0.00 66.02 63.48 1su1 s SER 146 CO 0.00 0.27 1.62 1.33 1.20 0.00 0.00 173.24 177.66 1su1 n VAL 147 N 1.14 0.00 0.00 4.45 0.24 -1.00 -1.03 118.33 122.13 1su1 n VAL 147 Ca -0.13 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1su1 n VAL 147 Cb 0.53 0.27 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 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 -0.81 0.74 -3.02 -1.34 3.41 -1.25 -4.69 113.62 106.66 1su1 n SER 148 Ca 0.12 -0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.53 1su1 n SER 148 Cb 0.33 0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1su1 n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1su1 n ILE 149 N -0.29 -0.34 -2.00 -1.33 3.06 -1.26 -4.69 119.36 112.51 1su1 n ILE 149 Ca 0.00 -3.12 -0.39 0.00 -2.50 0.00 0.00 62.75 56.74 1su1 n ILE 149 Cb 0.00 -0.32 0.01 0.00 0.54 0.00 0.00 39.64 39.87 1su1 n ILE 149 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 1su1 s PRO 150 N -0.69 3.70 0.21 9.51 0.04 -1.26 -4.85 135.00 141.66 1su1 s PRO 150 Ca 0.34 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1su1 s PRO 150 Cb 0.23 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1su1 s PRO 150 CO -0.14 -0.70 0.06 1.63 0.04 0.00 0.00 177.00 177.89 1su1 n LYS 151 N -0.30 1.38 0.00 4.56 5.02 -1.10 -4.81 118.16 122.92 1su1 n LYS 151 Ca 0.06 -1.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 1su1 n LYS 151 Cb 0.45 0.30 0.00 0.00 -0.02 0.00 0.00 35.03 35.75 1su1 n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1su1 n GLY 152 N 2.53 1.05 0.00 0.72 0.00 -1.26 -2.71 105.19 105.52 1su1 n GLY 152 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -0.73 3.88 -0.02 0.00 -1.26 -5.15 105.19 101.90 1su1 n GLY 153 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 6.49 0.73 1.61 0.01 -1.10 -5.08 114.94 117.60 1su1 s ASN 154 Ca 0.00 1.16 -0.11 0.00 -0.71 0.00 0.00 52.86 53.20 1su1 s ASN 154 Cb 0.00 -2.34 0.03 0.00 0.41 0.00 0.00 41.25 39.35 1su1 s ASN 154 CO 0.00 -0.46 1.09 -2.84 -1.51 0.00 0.00 177.10 173.39 1su1 s PRO 155 N -4.02 2.64 0.49 -0.60 0.02 -1.26 -4.58 135.00 127.69 1su1 s PRO 155 Ca 0.52 0.56 -0.23 0.00 0.02 0.00 0.00 61.00 61.87 1su1 s PRO 155 Cb -0.10 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 1su1 s PRO 155 CO 0.34 -1.21 1.25 0.00 -0.33 0.00 0.00 177.00 177.04 1su1 n ALA 156 N -3.14 1.20 -3.17 -1.55 0.00 -1.26 -4.84 120.51 107.74 1su1 n ALA 156 Ca 0.07 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1su1 n ALA 156 Cb 0.56 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 1su1 n ALA 156 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1su1 s SER 157 N -0.78 -0.10 0.29 0.00 1.04 -0.20 -1.77 113.70 112.18 1su1 s SER 157 Ca 0.67 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 56.28 1su1 s SER 157 Cb -0.46 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1su1 s SER 157 CO 0.53 -1.11 0.25 -0.72 0.98 0.00 0.00 173.24 173.17 1su1 s TYR 158 N -3.99 1.49 0.27 5.02 1.13 0.32 -3.33 117.35 118.25 1su1 s TYR 158 Ca 0.20 -1.53 0.11 0.00 -1.41 0.00 0.00 57.07 54.44 1su1 s TYR 158 Cb -0.00 -0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 40.20 1su1 s TYR 158 CO 0.07 -0.81 -0.19 0.20 -2.51 0.00 0.00 175.55 172.30 1su1 s GLY 159 N -3.29 1.81 -0.11 5.49 0.00 -0.12 -0.12 107.32 110.98 1su1 s GLY 159 Ca 0.39 -1.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.17 1su1 s GLY 159 CO 0.22 -1.93 0.30 -0.29 0.00 0.00 0.00 173.10 171.40 1su1 s MET 160 N -3.53 0.35 -0.24 2.90 1.75 0.17 -0.43 119.30 120.27 1su1 s MET 160 Ca 0.29 0.42 -0.02 0.00 -1.25 0.00 0.00 55.69 55.13 1su1 s MET 160 Cb -0.04 0.17 0.02 0.00 2.84 0.00 0.00 34.83 37.82 1su1 s MET 160 CO 0.14 -0.04 -0.07 -1.17 -0.65 0.00 0.00 175.02 173.22 1su1 s LEU 161 N 0.16 3.04 -0.14 4.11 0.20 0.12 -1.06 118.68 125.10 1su1 s LEU 161 Ca -0.00 -0.77 -0.07 0.00 0.69 0.00 0.00 54.13 53.97 1su1 s LEU 161 Cb -0.02 -1.66 0.05 0.00 -0.43 0.00 0.00 46.19 44.14 1su1 s LEU 161 CO 0.00 -0.10 0.33 -0.62 -0.29 0.00 0.00 176.35 175.68 1su1 s ASP 162 N 1.35 -0.38 -1.53 3.68 2.15 -0.80 -1.53 116.67 119.61 1su1 s ASP 162 Ca 0.02 0.73 -0.12 0.00 0.43 0.00 0.00 52.55 53.60 1su1 s ASP 162 Cb -0.16 0.62 0.08 0.00 -0.30 0.00 0.00 42.92 43.17 1su1 s ASP 162 CO -0.05 -0.18 0.90 0.59 -0.17 0.00 0.00 175.17 176.26 1su1 n ASN 163 N 4.30 -3.99 -2.16 -0.34 3.02 -1.26 -0.74 115.26 114.10 1su1 n ASN 163 Ca -0.24 -0.83 -0.20 0.00 -0.03 0.00 0.00 54.58 53.28 1su1 n ASN 163 Cb 0.54 -3.70 -0.03 0.00 -0.61 0.00 0.00 39.78 35.98 1su1 n ASN 163 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1su1 n ASP 164 N -2.84 -5.72 -4.08 6.41 8.00 -1.26 -4.97 116.55 112.10 1su1 n ASP 164 Ca -0.01 0.09 -0.31 0.00 0.71 0.00 0.00 54.79 55.28 1su1 n ASP 164 Cb 0.54 -4.79 -0.16 0.00 -0.02 0.00 0.00 41.12 36.69 1su1 n ASP 164 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1su1 s VAL 165 N -2.96 1.72 -0.23 2.53 1.01 0.08 -0.89 120.40 121.67 1su1 s VAL 165 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.04 1su1 s VAL 165 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1su1 s VAL 165 CO 0.00 0.48 0.53 -0.76 0.00 0.00 0.00 175.10 175.35 1su1 s LEU 166 N 1.16 4.09 -0.02 3.92 1.43 -0.16 -1.90 118.68 127.19 1su1 s LEU 166 Ca -0.01 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1su1 s LEU 166 Cb -0.14 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 1su1 s LEU 166 CO -0.06 -0.25 -0.15 -0.44 0.23 0.00 0.00 176.35 175.68 1su1 s SER 167 N 1.36 1.83 -0.28 2.29 0.01 -0.22 -1.08 113.70 117.61 1su1 s SER 167 Ca 0.23 -0.29 -0.10 0.00 1.31 0.00 0.00 55.95 57.11 1su1 s SER 167 Cb -0.15 -0.34 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 1su1 s SER 167 CO 0.09 0.16 0.14 -0.69 0.41 0.00 0.00 173.24 173.35 1su1 s VAL 168 N -0.15 4.82 -0.01 3.43 1.01 0.11 -0.66 120.40 128.95 1su1 s VAL 168 Ca 0.02 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1su1 s VAL 168 Cb -0.08 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1su1 s VAL 168 CO 0.00 0.23 -0.22 -0.63 0.00 0.00 0.00 175.10 174.49 1su1 s ILE 169 N 1.68 2.46 0.14 2.22 1.01 0.83 -0.81 121.20 128.73 1su1 s ILE 169 Ca 0.06 -1.03 -0.31 0.00 0.00 0.00 0.00 60.65 59.37 1su1 s ILE 169 Cb -0.16 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 1su1 s ILE 169 CO 0.07 0.53 1.32 0.00 0.00 0.00 0.00 174.94 176.87 1su1 s ALA 170 N -0.71 3.53 0.46 9.38 0.00 -0.61 -0.52 121.76 133.30 1su1 s ALA 170 Ca 0.11 1.07 0.19 0.00 0.00 0.00 0.00 51.96 53.33 1su1 s ALA 170 Cb -0.10 -3.50 1.17 0.00 0.00 0.00 0.00 23.12 20.69 1su1 s ALA 170 CO 0.01 -0.55 1.93 -0.07 0.00 0.00 0.00 175.76 177.08 1su1 h LEU 171 N 6.18 0.27 0.00 0.00 3.38 -1.67 -0.84 115.31 122.64 1su1 h LEU 171 Ca -0.43 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1su1 h LEU 171 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1su1 h LEU 171 CO 0.82 0.14 -0.34 0.59 0.09 0.00 0.00 178.44 179.73 1su1 n ASN 172 N -4.44 0.84 -0.27 -0.43 4.13 -1.26 -4.66 115.26 109.16 1su1 n ASN 172 Ca 0.14 0.13 0.01 0.00 1.68 0.00 0.00 54.58 56.55 1su1 n ASN 172 Cb 0.59 -0.47 0.09 0.00 -1.54 0.00 0.00 39.78 38.44 1su1 n ASN 172 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 1su1 h ASP 173 N -0.34 -0.75 -0.08 6.41 1.82 -1.95 -3.44 116.42 118.10 1su1 h ASP 173 Ca 0.00 0.23 -0.03 0.00 -0.39 0.00 0.00 57.03 56.84 1su1 h ASP 173 Cb 0.34 0.49 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 1su1 h ASP 173 CO 0.00 -0.26 -0.03 1.67 -1.61 0.00 0.00 179.24 179.01 1su1 n GLN 174 N -5.50 -0.16 -3.20 0.28 7.27 -0.32 -4.98 117.38 110.77 1su1 n GLN 174 Ca 0.10 0.45 -0.32 0.00 0.07 0.00 0.00 57.00 57.30 1su1 n GLN 174 Cb 0.39 -3.93 -0.06 0.00 2.41 0.00 0.00 30.24 29.05 1su1 n GLN 174 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1su1 s SER 175 N -2.74 6.73 -0.50 1.69 1.04 -1.26 -4.66 113.70 113.99 1su1 s SER 175 Ca 0.00 1.19 -0.29 0.00 0.48 0.00 0.00 55.95 57.33 1su1 s SER 175 Cb 0.00 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.81 1su1 s SER 175 CO 0.00 -0.18 1.15 -0.63 0.98 0.00 0.00 173.24 174.56 1su1 s ILE 176 N -1.96 4.16 0.04 -1.02 1.01 -1.26 -1.57 121.20 120.60 1su1 s ILE 176 Ca 0.53 1.13 -0.17 0.00 0.00 0.00 0.00 60.65 62.13 1su1 s ILE 176 Cb -0.10 -4.64 -0.23 0.00 0.01 0.00 0.00 42.46 37.50 1su1 s ILE 176 CO 0.19 -1.10 1.15 0.40 0.00 0.00 0.00 174.94 175.57 1su1 h ILE 177 N 6.22 1.36 -2.22 2.92 2.04 -1.34 -3.48 117.51 123.01 1su1 h ILE 177 Ca -0.24 -2.13 -0.05 0.00 1.00 0.00 0.00 64.86 63.45 1su1 h ILE 177 Cb 1.06 2.48 -0.17 0.00 -0.74 0.00 0.00 36.82 39.44 1su1 h ILE 177 CO 1.14 0.64 0.20 0.00 0.00 0.00 0.00 178.15 180.13 1su1 s ALA 178 N -3.29 -1.74 0.02 1.87 0.00 -1.20 -5.00 121.76 112.43 1su1 s ALA 178 Ca -0.12 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.70 1su1 s ALA 178 Cb 0.05 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.45 1su1 s ALA 178 CO 0.86 -0.46 0.80 1.14 0.00 0.00 0.00 175.76 178.10 1su1 s GLN 179 N -1.78 0.95 -0.25 0.00 -2.07 -1.26 0.05 119.66 115.29 1su1 s GLN 179 Ca -0.08 -0.27 -0.17 0.00 -1.82 0.00 0.00 55.36 53.02 1su1 s GLN 179 Cb -0.00 0.44 0.07 0.00 -1.09 0.00 0.00 33.01 32.43 1su1 s GLN 179 CO 0.05 -0.40 0.64 0.54 -1.32 0.00 0.00 175.29 174.79 1su1 s VAL 180 N -2.99 -0.00 0.22 3.63 0.11 -0.24 -4.81 120.40 116.31 1su1 s VAL 180 Ca 0.02 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 1su1 s VAL 180 Cb -0.01 -0.91 -0.08 0.00 -1.53 0.00 0.00 36.38 33.84 1su1 s VAL 180 CO -0.08 0.01 1.02 0.00 -3.33 0.00 0.00 175.10 172.71 1su1 s ALA 181 N 1.20 3.35 -1.49 1.54 0.00 -1.26 -0.99 121.76 124.11 1su1 s ALA 181 Ca -0.07 0.72 0.13 0.00 0.00 0.00 0.00 51.96 52.74 1su1 s ALA 181 Cb -0.05 -3.28 0.14 0.00 0.00 0.00 0.00 23.12 19.93 1su1 s ALA 181 CO -0.12 -0.01 0.97 0.44 0.00 0.00 0.00 175.76 177.04 1su1 n ILE 182 N 1.80 0.17 0.07 0.00 -5.35 -0.07 -4.94 119.36 111.05 1su1 n ILE 182 Ca -0.00 -0.59 0.01 0.00 -0.27 0.00 0.00 62.75 61.90 1su1 n ILE 182 Cb 0.47 1.13 0.01 0.00 -1.74 0.00 0.00 39.64 39.50 1su1 n ILE 182 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38