#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nlf s THR 3 N 0.00 1.81 0.17 0.00 -4.23 -1.26 -5.03 115.64 107.10 1nlf s THR 3 Ca 0.00 -0.94 0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1nlf s THR 3 Cb 0.00 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 1nlf s THR 3 CO 0.00 0.51 -0.24 -1.00 -0.54 0.00 0.00 174.62 173.34 1nlf s HIS 4 N -0.13 2.25 0.12 3.99 0.09 -1.26 -5.04 115.29 115.30 1nlf s HIS 4 Ca -0.02 -0.37 -0.12 0.00 -0.00 0.00 0.00 55.06 54.54 1nlf s HIS 4 Cb -0.12 -1.15 -0.06 0.00 -0.00 0.00 0.00 32.58 31.24 1nlf s HIS 4 CO 0.03 0.43 0.47 0.15 -0.00 0.00 0.00 174.74 175.82 1nlf s LYS 5 N -2.45 3.86 0.71 1.40 1.02 -1.26 -5.04 119.74 117.98 1nlf s LYS 5 Ca 0.18 0.32 -0.16 0.00 0.02 0.00 0.00 55.97 56.33 1nlf s LYS 5 Cb -0.09 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 1nlf s LYS 5 CO 0.08 0.51 0.86 -2.30 -0.92 0.00 0.00 175.35 173.58 1nlf n PRO 6 N 0.80 0.47 -2.67 -1.68 -0.02 -1.26 -4.91 135.00 125.74 1nlf n PRO 6 Ca -0.06 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1nlf n PRO 6 Cb 0.52 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1nlf n PRO 6 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nlf s ILE 7 N -1.83 4.37 -0.69 4.25 -1.09 -1.26 -4.97 121.20 119.99 1nlf s ILE 7 Ca 0.71 1.95 -0.25 0.00 -2.23 0.00 0.00 60.65 60.83 1nlf s ILE 7 Cb -0.35 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.33 1nlf s ILE 7 CO 0.52 0.29 1.13 0.21 -1.23 0.00 0.00 174.94 175.86 1nlf s ASN 8 N 0.10 6.19 0.10 3.58 3.84 -1.26 -4.90 114.94 122.59 1nlf s ASN 8 Ca 0.48 -0.62 -0.30 0.00 0.21 0.00 0.00 52.86 52.64 1nlf s ASN 8 Cb -0.25 -2.50 -0.12 0.00 -0.55 0.00 0.00 41.25 37.84 1nlf s ASN 8 CO 0.31 -1.63 1.62 0.40 -2.79 0.00 0.00 177.10 175.01 1nlf h ILE 9 N 6.01 0.33 -0.77 -5.21 1.08 -1.99 -1.92 117.51 115.04 1nlf h ILE 9 Ca -0.28 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.33 1nlf h ILE 9 Cb 1.06 0.33 -0.09 0.00 -3.07 0.00 0.00 36.82 35.05 1nlf h ILE 9 CO 1.23 0.00 0.34 -0.07 -0.69 0.00 0.00 178.15 178.95 1nlf h LEU 10 N -0.65 0.36 -0.65 1.44 4.07 -2.00 -1.33 115.31 116.55 1nlf h LEU 10 Ca -0.01 0.10 -0.10 0.00 0.08 0.00 0.00 57.88 57.95 1nlf h LEU 10 Cb 0.60 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.38 1nlf h LEU 10 CO -0.09 0.15 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.01 1nlf h GLU 11 N 0.50 0.98 -0.43 1.13 5.08 -1.94 -1.67 114.58 118.23 1nlf h GLU 11 Ca 0.42 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1nlf h GLU 11 Cb 0.60 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1nlf h GLU 11 CO -0.38 1.01 0.13 0.00 -1.00 0.00 0.00 179.01 178.77 1nlf h ALA 12 N 1.02 1.42 0.04 3.43 0.00 -0.46 0.11 119.26 124.82 1nlf h ALA 12 Ca 0.14 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nlf h ALA 12 Cb 0.62 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nlf h ALA 12 CO 0.04 0.43 -0.02 0.74 0.00 0.00 0.00 179.25 180.44 1nlf h PHE 13 N 0.62 -0.06 -0.07 0.00 0.05 -1.02 -3.37 116.94 113.09 1nlf h PHE 13 Ca 0.15 -0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.82 1nlf h PHE 13 Cb 0.20 0.02 0.01 0.00 2.00 0.00 0.00 35.95 38.17 1nlf h PHE 13 CO 0.01 0.40 -0.39 0.00 -0.18 0.00 0.00 178.31 178.15 1nlf h ALA 14 N 0.39 0.15 -2.38 2.45 0.00 -1.10 -3.46 119.26 115.30 1nlf h ALA 14 Ca -0.01 -0.47 -0.50 0.00 0.00 0.00 0.00 54.91 53.93 1nlf h ALA 14 Cb 0.48 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1nlf h ALA 14 CO 0.01 0.25 0.08 0.00 0.00 0.00 0.00 179.25 179.60 1nlf s ALA 15 N -3.61 3.37 0.05 0.00 0.00 0.36 -5.03 121.76 116.89 1nlf s ALA 15 Ca -0.14 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1nlf s ALA 15 Cb 0.04 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 1nlf s ALA 15 CO 0.79 0.35 1.16 0.00 0.00 0.00 0.00 175.76 178.06 1nlf s ALA 16 N -1.84 3.35 0.22 0.00 0.00 -1.26 -4.75 121.76 117.48 1nlf s ALA 16 Ca 0.50 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.95 1nlf s ALA 16 Cb -0.12 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 1nlf s ALA 16 CO 0.19 -0.40 1.54 -1.25 0.00 0.00 0.00 175.76 175.83 1nlf s PRO 17 N 1.06 4.21 0.44 0.00 0.04 -1.26 -4.94 135.00 134.55 1nlf s PRO 17 Ca 0.58 2.39 -0.25 0.00 0.04 0.00 0.00 61.00 63.76 1nlf s PRO 17 Cb -0.28 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.06 1nlf s PRO 17 CO 0.29 -0.55 1.26 -2.30 0.04 0.00 0.00 177.00 175.73 1nlf n PRO 18 N 3.08 1.84 -1.68 0.56 -0.02 -1.26 -4.87 135.00 132.65 1nlf n PRO 18 Ca 0.10 0.66 -0.44 0.00 -2.02 0.00 0.00 63.50 61.80 1nlf n PRO 18 Cb 0.39 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 1nlf n PRO 18 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nlf n PRO 19 N -0.12 2.11 -1.74 0.52 -0.02 -1.26 -4.88 135.00 129.62 1nlf n PRO 19 Ca 0.07 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 1nlf n PRO 19 Cb 0.40 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 1nlf n PRO 19 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nlf n LEU 20 N 1.83 4.16 -4.50 2.45 4.32 -1.26 -4.94 117.00 119.06 1nlf n LEU 20 Ca 0.10 1.20 -0.43 0.00 -0.02 0.00 0.00 56.01 56.86 1nlf n LEU 20 Cb 0.33 -1.56 -0.08 0.00 -1.62 0.00 0.00 43.42 40.49 1nlf n LEU 20 CO 0.63 -0.10 0.16 -0.62 -1.22 0.00 0.00 177.39 176.24 1nlf s ASP 21 N -0.02 6.22 -0.23 -1.43 2.15 -1.26 -5.05 116.67 117.06 1nlf s ASP 21 Ca 0.57 -0.54 -0.12 0.00 0.43 0.00 0.00 52.55 52.89 1nlf s ASP 21 Cb -0.52 -2.24 -0.05 0.00 -0.30 0.00 0.00 42.92 39.81 1nlf s ASP 21 CO 0.59 -0.59 0.25 -0.31 -0.17 0.00 0.00 175.17 174.94 1nlf s TYR 22 N 2.27 3.33 0.10 -5.34 1.51 -1.26 -0.13 117.35 117.82 1nlf s TYR 22 Ca 0.14 0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 56.50 1nlf s TYR 22 Cb -0.16 -2.37 -0.20 0.00 -0.11 0.00 0.00 41.96 39.11 1nlf s TYR 22 CO 0.14 0.02 1.21 -0.24 -1.11 0.00 0.00 175.55 175.57 1nlf h VAL 23 N 5.05 1.41 -4.22 0.71 3.04 -1.51 -3.41 116.25 117.32 1nlf h VAL 23 Ca -0.37 -2.67 -0.18 0.00 -1.01 0.00 0.00 66.70 62.47 1nlf h VAL 23 Cb 1.17 2.67 -0.15 0.00 -2.01 0.00 0.00 31.29 32.97 1nlf h VAL 23 CO 0.67 0.79 -0.66 -0.76 -1.01 0.00 0.00 177.57 176.60 1nlf s LEU 24 N -7.55 2.12 -0.16 3.16 1.43 -1.23 -4.81 118.68 111.64 1nlf s LEU 24 Ca -0.06 -1.12 -0.37 0.00 -1.03 0.00 0.00 54.13 51.55 1nlf s LEU 24 Cb 0.07 0.18 -0.14 0.00 0.03 0.00 0.00 46.19 46.34 1nlf s LEU 24 CO 0.89 -0.64 1.78 -2.65 0.23 0.00 0.00 176.35 175.96 1nlf n PRO 25 N -0.04 1.66 -0.84 1.29 -0.02 -1.26 -0.82 135.00 134.97 1nlf n PRO 25 Ca -0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1nlf n PRO 25 Cb 0.62 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1nlf n PRO 25 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nlf n ASN 26 N 5.75 -0.26 -4.42 2.55 5.03 -1.26 -4.99 115.26 117.66 1nlf n ASN 26 Ca 0.24 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.33 1nlf n ASN 26 Cb 0.21 -0.90 -0.13 0.00 -1.02 0.00 0.00 39.78 37.94 1nlf n ASN 26 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1nlf s MET 27 N -0.37 3.59 0.11 3.52 1.75 -0.00 -4.49 119.30 123.41 1nlf s MET 27 Ca 0.00 -0.51 -0.30 0.00 -1.25 0.00 0.00 55.69 53.62 1nlf s MET 27 Cb 0.00 -3.23 -0.07 0.00 2.84 0.00 0.00 34.83 34.37 1nlf s MET 27 CO 0.00 -0.17 1.22 0.08 -0.65 0.00 0.00 175.02 175.50 1nlf s VAL 28 N 1.53 3.77 0.37 10.11 1.01 -1.26 -1.37 120.40 134.56 1nlf s VAL 28 Ca 0.06 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.10 1nlf s VAL 28 Cb -0.15 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1nlf s VAL 28 CO 0.02 0.14 1.48 0.00 0.00 0.00 0.00 175.10 176.74 1nlf n ALA 29 N 3.41 2.30 -0.34 5.51 0.00 0.81 -2.97 120.51 129.23 1nlf n ALA 29 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1nlf n ALA 29 Cb 0.45 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1nlf n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nlf n GLY 30 N 0.53 0.81 3.61 0.00 0.00 -1.24 -4.96 105.19 103.95 1nlf n GLY 30 Ca 0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1nlf n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nlf s THR 31 N -2.00 0.64 -0.07 2.61 -4.23 -1.16 -3.54 115.64 107.89 1nlf s THR 31 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1nlf s THR 31 Cb 0.00 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 1nlf s THR 31 CO 0.00 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.38 1nlf s VAL 32 N -3.09 4.17 0.22 2.29 1.01 -1.26 -1.59 120.40 122.15 1nlf s VAL 32 Ca 0.15 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.69 1nlf s VAL 32 Cb 0.01 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 1nlf s VAL 32 CO 0.11 0.56 0.31 -0.83 0.00 0.00 0.00 175.10 175.25 1nlf s GLY 33 N -1.00 0.89 0.05 4.51 0.00 0.35 -4.20 107.32 107.92 1nlf s GLY 33 Ca 0.14 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.69 1nlf s GLY 33 CO 0.04 -0.96 -0.10 0.00 0.00 0.00 0.00 173.10 172.07 1nlf s ALA 34 N -4.07 0.82 -0.24 3.20 0.00 -0.31 -1.26 121.76 119.91 1nlf s ALA 34 Ca 0.28 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1nlf s ALA 34 Cb 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1nlf s ALA 34 CO 0.09 0.08 -0.10 -1.17 0.00 0.00 0.00 175.76 174.66 1nlf s LEU 35 N -1.47 3.06 0.10 0.00 2.96 -0.70 -0.30 118.68 122.34 1nlf s LEU 35 Ca -0.05 -0.98 0.09 0.00 -0.22 0.00 0.00 54.13 52.96 1nlf s LEU 35 Cb -0.09 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1nlf s LEU 35 CO 0.01 -0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.04 1nlf s VAL 36 N 1.26 2.80 0.00 1.68 1.01 0.30 -1.77 120.40 125.67 1nlf s VAL 36 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1nlf s VAL 36 Cb -0.17 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1nlf s VAL 36 CO -0.06 0.16 0.00 -1.54 0.00 0.00 0.00 175.10 173.65 1nlf n SER 37 N 0.98 0.00 -4.75 3.32 3.41 -1.08 -2.12 113.62 113.38 1nlf n SER 37 Ca -0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.11 1nlf n SER 37 Cb 0.53 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.54 1nlf n SER 37 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1nlf s PRO 38 N -2.00 2.59 0.35 4.33 0.02 -1.26 0.09 135.00 139.12 1nlf s PRO 38 Ca 0.00 1.67 -0.28 0.00 0.02 0.00 0.00 61.00 62.41 1nlf s PRO 38 Cb 0.00 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.50 1nlf s PRO 38 CO 0.00 -1.46 1.36 0.41 -0.33 0.00 0.00 177.00 176.97 1nlf n GLY 39 N 0.16 0.79 1.72 0.52 0.00 -1.26 -2.43 105.19 104.68 1nlf n GLY 39 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1nlf n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nlf n GLY 40 N 0.73 1.15 0.25 -0.02 0.00 -1.26 -4.92 105.19 101.12 1nlf n GLY 40 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 1nlf n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nlf h ALA 41 N 0.00 1.02 0.00 4.61 0.00 -1.84 -3.47 119.26 119.59 1nlf h ALA 41 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nlf h ALA 41 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1nlf h ALA 41 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1nlf n GLY 42 N 0.09 1.81 0.17 0.00 0.00 -1.26 -4.88 105.19 101.11 1nlf n GLY 42 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1nlf n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nlf h LYS 43 N 0.05 0.32 -0.78 1.61 1.57 -1.91 -1.91 116.57 115.52 1nlf h LYS 43 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1nlf h LYS 43 Cb 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1nlf h LYS 43 CO 0.00 0.21 0.52 0.77 -0.57 0.00 0.00 179.45 180.38 1nlf h SER 44 N 0.33 0.83 -0.04 0.86 0.02 -1.98 0.11 113.55 113.69 1nlf h SER 44 Ca 0.18 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1nlf h SER 44 Cb 0.15 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1nlf h SER 44 CO -0.17 0.57 -0.12 -0.03 -1.14 0.00 0.00 176.83 175.94 1nlf h MET 45 N 0.96 0.14 -0.29 3.45 1.85 -1.87 -2.06 114.93 117.12 1nlf h MET 45 Ca 0.31 -0.11 0.03 0.00 -0.61 0.00 0.00 59.70 59.32 1nlf h MET 45 Cb 0.04 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.06 1nlf h MET 45 CO -0.09 0.74 0.11 1.25 -0.40 0.00 0.00 176.91 178.52 1nlf h LEU 46 N -0.42 0.13 -0.77 3.39 5.85 -1.10 -0.60 115.31 121.79 1nlf h LEU 46 Ca -0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1nlf h LEU 46 Cb 0.75 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1nlf h LEU 46 CO 0.03 0.11 0.49 0.00 -0.34 0.00 0.00 178.44 178.72 1nlf h ALA 47 N 1.18 1.01 -0.47 1.25 0.00 -0.83 0.12 119.26 121.51 1nlf h ALA 47 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1nlf h ALA 47 Cb 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1nlf h ALA 47 CO -0.12 0.29 0.18 1.25 0.00 0.00 0.00 179.25 180.84 1nlf h LEU 48 N 0.95 0.66 -0.58 0.00 5.85 -0.86 0.13 115.31 121.46 1nlf h LEU 48 Ca 0.31 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1nlf h LEU 48 Cb 0.01 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1nlf h LEU 48 CO -0.11 0.66 0.09 1.56 -0.34 0.00 0.00 178.44 180.31 1nlf h GLN 49 N 0.62 0.96 -0.58 1.25 4.20 -0.61 0.28 115.11 121.24 1nlf h GLN 49 Ca 0.16 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1nlf h GLN 49 Cb 0.22 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1nlf h GLN 49 CO -0.01 0.91 0.19 -0.07 -0.67 0.00 0.00 178.83 179.19 1nlf h LEU 50 N 0.86 0.83 -0.65 1.46 4.07 -0.85 -1.38 115.31 119.66 1nlf h LEU 50 Ca 0.18 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1nlf h LEU 50 Cb 0.42 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 1nlf h LEU 50 CO 0.01 0.81 0.31 0.00 -1.08 0.00 0.00 178.44 178.49 1nlf h ALA 51 N 1.06 0.84 -0.63 1.53 0.00 -0.67 -1.85 119.26 119.54 1nlf h ALA 51 Ca 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1nlf h ALA 51 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1nlf h ALA 51 CO -0.01 0.41 0.20 0.00 0.00 0.00 0.00 179.25 179.85 1nlf h ALA 52 N 1.14 1.16 0.31 0.00 0.00 -0.67 -0.95 119.26 120.24 1nlf h ALA 52 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nlf h ALA 52 Cb 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nlf h ALA 52 CO -0.03 0.59 -0.15 0.37 0.00 0.00 0.00 179.25 180.03 1nlf h GLN 53 N 0.93 -0.40 -0.35 0.00 4.15 -0.85 0.31 115.11 118.89 1nlf h GLN 53 Ca 0.21 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1nlf h GLN 53 Cb 0.27 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1nlf h GLN 53 CO -0.01 -0.15 0.22 0.82 -1.93 0.00 0.00 178.83 177.78 1nlf h ILE 54 N -0.60 1.10 0.00 2.39 2.04 -1.26 -0.43 117.51 120.75 1nlf h ILE 54 Ca -0.04 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1nlf h ILE 54 Cb 0.44 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1nlf h ILE 54 CO 0.07 0.10 -0.01 0.00 0.00 0.00 0.00 178.15 178.31 1nlf h ALA 55 N 1.76 1.02 0.00 1.87 0.00 -0.97 0.67 119.26 123.60 1nlf h ALA 55 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nlf h ALA 55 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nlf h ALA 55 CO -0.03 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1nlf n GLY 56 N -0.42 -0.36 3.86 0.00 0.00 -0.19 -4.16 105.19 103.92 1nlf n GLY 56 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1nlf n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nlf s GLY 57 N -0.02 1.75 0.75 -0.02 0.00 0.10 -4.70 107.32 105.19 1nlf s GLY 57 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.41 1nlf s GLY 57 CO 0.00 -0.38 1.08 -4.14 0.00 0.00 0.00 173.10 169.66 1nlf s PRO 58 N -5.82 2.43 -1.23 2.90 0.02 -1.26 -4.52 135.00 127.53 1nlf s PRO 58 Ca 0.74 0.95 -0.09 0.00 0.02 0.00 0.00 61.00 62.62 1nlf s PRO 58 Cb -0.04 -1.93 0.20 0.00 0.02 0.00 0.00 34.50 32.74 1nlf s PRO 58 CO 0.54 -1.45 1.71 -3.47 -0.33 0.00 0.00 177.00 174.00 1nlf n ASP 59 N -3.37 5.37 0.05 2.53 2.03 -1.26 -4.49 116.55 117.41 1nlf n ASP 59 Ca 0.08 -3.14 0.01 0.00 0.52 0.00 0.00 54.79 52.25 1nlf n ASP 59 Cb 0.54 -1.45 0.33 0.00 -0.72 0.00 0.00 41.12 39.82 1nlf n ASP 59 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1nlf h LEU 60 N 7.66 0.37 0.00 -2.67 3.38 -1.93 -2.79 115.31 119.32 1nlf h LEU 60 Ca 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1nlf h LEU 60 Cb 0.67 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1nlf h LEU 60 CO 1.50 0.49 0.00 0.18 0.09 0.00 0.00 178.44 180.70 1nlf n LEU 61 N -4.27 0.00 -1.73 1.67 4.77 -1.26 -4.34 117.00 111.84 1nlf n LEU 61 Ca 0.00 0.46 -0.16 0.00 -0.03 0.00 0.00 56.01 56.29 1nlf n LEU 61 Cb 0.26 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1nlf n LEU 61 CO 0.39 -0.09 -0.20 1.21 -1.33 0.00 0.00 177.39 177.37 1nlf n GLU 62 N -1.46 -1.24 -1.35 3.23 4.07 -1.05 -4.61 120.64 118.22 1nlf n GLU 62 Ca 0.07 0.80 -0.13 0.00 -0.06 0.00 0.00 57.16 57.84 1nlf n GLU 62 Cb 0.26 -5.15 0.08 0.00 -0.06 0.00 0.00 31.44 26.57 1nlf n GLU 62 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1nlf n VAL 63 N -3.85 0.00 -1.98 6.31 0.24 -1.26 -5.02 118.33 112.78 1nlf n VAL 63 Ca -0.18 -0.67 -0.35 0.00 -2.04 0.00 0.00 64.34 61.09 1nlf n VAL 63 Cb 0.63 -1.37 0.03 0.00 -1.47 0.00 0.00 33.84 31.66 1nlf n VAL 63 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1nlf s GLY 64 N -4.00 2.65 0.39 7.63 0.00 -1.26 -4.93 107.32 107.80 1nlf s GLY 64 Ca 0.35 0.94 -0.28 0.00 0.00 0.00 0.00 44.72 45.72 1nlf s GLY 64 CO 0.23 1.32 1.47 1.85 0.00 0.00 0.00 173.10 177.98 1nlf s GLU 65 N -3.43 4.05 0.12 2.90 2.56 -1.26 -4.99 118.70 118.65 1nlf s GLU 65 Ca 0.76 2.54 0.09 0.00 0.00 0.00 0.00 54.97 58.35 1nlf s GLU 65 Cb -0.28 -2.92 -0.04 0.00 2.00 0.00 0.00 34.13 32.88 1nlf s GLU 65 CO 0.34 -0.57 -0.22 -0.51 -0.56 0.00 0.00 175.26 173.74 1nlf s LEU 66 N -2.18 2.33 0.50 2.70 1.43 -1.26 -5.09 118.68 117.10 1nlf s LEU 66 Ca 0.54 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 1nlf s LEU 66 Cb -0.46 -0.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.75 1nlf s LEU 66 CO 0.62 0.07 1.40 -2.84 0.23 0.00 0.00 176.35 175.83 1nlf s PRO 67 N -2.09 3.42 0.20 1.29 0.02 -1.26 -4.90 135.00 131.68 1nlf s PRO 67 Ca 0.10 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 1nlf s PRO 67 Cb -0.09 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.91 1nlf s PRO 67 CO 0.05 -1.00 0.41 0.95 -0.33 0.00 0.00 177.00 177.07 1nlf s THR 68 N -1.24 5.18 -0.12 0.99 -4.23 -1.26 -4.75 115.64 110.21 1nlf s THR 68 Ca 0.66 -0.25 -0.33 0.00 -1.18 0.00 0.00 61.69 60.59 1nlf s THR 68 Cb -0.42 -3.71 0.14 0.00 1.34 0.00 0.00 72.50 69.84 1nlf s THR 68 CO 0.53 -0.15 1.34 -0.83 -0.54 0.00 0.00 174.62 174.96 1nlf s GLY 69 N -3.03 -0.39 0.36 3.99 0.00 0.23 -5.02 107.32 103.46 1nlf s GLY 69 Ca 0.39 1.14 -0.28 0.00 0.00 0.00 0.00 44.72 45.97 1nlf s GLY 69 CO 0.28 0.29 1.42 -4.14 0.00 0.00 0.00 173.10 170.96 1nlf s PRO 70 N -2.24 4.20 -0.01 2.90 0.02 -1.26 -3.75 135.00 134.86 1nlf s PRO 70 Ca 0.13 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.64 1nlf s PRO 70 Cb 0.04 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 1nlf s PRO 70 CO -0.05 -0.41 -0.15 0.08 -0.33 0.00 0.00 177.00 176.14 1nlf s VAL 71 N -1.09 1.19 -0.12 3.83 1.01 -0.10 -0.05 120.40 125.06 1nlf s VAL 71 Ca 0.52 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1nlf s VAL 71 Cb -0.44 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1nlf s VAL 71 CO 0.59 0.34 -0.17 -0.51 0.00 0.00 0.00 175.10 175.34 1nlf s ILE 72 N -0.34 1.69 -0.20 2.22 2.07 -0.05 -0.89 121.20 125.70 1nlf s ILE 72 Ca 0.06 -0.75 -0.04 0.00 -1.41 0.00 0.00 60.65 58.50 1nlf s ILE 72 Cb -0.06 -1.53 -0.02 0.00 0.13 0.00 0.00 42.46 40.98 1nlf s ILE 72 CO -0.01 0.48 -0.02 -0.47 -1.91 0.00 0.00 174.94 173.01 1nlf s TYR 73 N 0.99 3.00 -0.71 3.50 5.04 0.58 -1.46 117.35 128.29 1nlf s TYR 73 Ca -0.05 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1nlf s TYR 73 Cb -0.15 -2.07 0.18 0.00 0.35 0.00 0.00 41.96 40.27 1nlf s TYR 73 CO -0.03 -0.30 0.53 -0.51 -1.34 0.00 0.00 175.55 173.90 1nlf s LEU 74 N 1.04 5.09 -0.30 6.97 1.43 0.10 -2.00 118.68 131.01 1nlf s LEU 74 Ca 0.01 -3.39 -0.29 0.00 -1.03 0.00 0.00 54.13 49.44 1nlf s LEU 74 Cb -0.14 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1nlf s LEU 74 CO 0.01 -0.22 1.08 -2.16 0.23 0.00 0.00 176.35 175.29 1nlf s PRO 75 N -0.83 4.10 0.00 1.29 0.04 -1.25 -2.26 135.00 136.09 1nlf s PRO 75 Ca 0.22 1.14 0.14 0.00 0.04 0.00 0.00 61.00 62.53 1nlf s PRO 75 Cb -0.14 -3.72 0.15 0.00 0.04 0.00 0.00 34.50 30.83 1nlf s PRO 75 CO -0.09 -0.86 0.99 0.00 0.04 0.00 0.00 177.00 177.08 1nlf n ALA 76 N 6.79 2.44 0.01 8.56 0.00 0.15 -0.87 120.51 137.60 1nlf n ALA 76 Ca 0.12 -0.69 0.01 0.00 0.00 0.00 0.00 53.44 52.88 1nlf n ALA 76 Cb 0.47 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 1nlf n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nlf n GLU 77 N 0.77 0.72 -3.60 0.00 1.02 -1.22 -3.85 120.64 114.47 1nlf n GLU 77 Ca 0.09 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 1nlf n GLU 77 Cb 0.36 -1.00 -0.07 0.00 -0.02 0.00 0.00 31.44 30.72 1nlf n GLU 77 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nlf s ASP 78 N -2.10 6.52 0.46 1.62 -0.00 -1.26 -5.02 116.67 116.89 1nlf s ASP 78 Ca -0.01 0.61 -0.23 0.00 -0.00 0.00 0.00 52.55 52.92 1nlf s ASP 78 Cb 0.01 -2.17 -0.07 0.00 -0.00 0.00 0.00 42.92 40.68 1nlf s ASP 78 CO 0.08 0.22 1.20 -2.16 -0.00 0.00 0.00 175.17 174.51 1nlf s PRO 79 N -0.25 3.73 0.31 8.23 0.04 -1.26 -4.71 135.00 141.10 1nlf s PRO 79 Ca 0.18 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.17 1nlf s PRO 79 Cb -0.14 -2.45 0.85 0.00 0.04 0.00 0.00 34.50 32.80 1nlf s PRO 79 CO 0.06 -0.60 1.69 -1.35 0.04 0.00 0.00 177.00 176.84 1nlf h PRO 80 N 2.10 0.38 -0.15 0.56 0.11 -1.97 -1.10 132.00 131.93 1nlf h PRO 80 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1nlf h PRO 80 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1nlf h PRO 80 CO 0.60 0.25 -0.03 1.79 -0.21 0.00 0.00 178.00 180.40 1nlf h THR 81 N 0.39 1.12 -0.07 -1.15 1.35 -2.00 -1.40 112.91 111.15 1nlf h THR 81 Ca 0.62 -0.47 -0.12 0.00 -0.55 0.00 0.00 66.41 65.90 1nlf h THR 81 Cb 1.26 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1nlf h THR 81 CO -0.56 0.15 -0.49 0.00 -0.25 0.00 0.00 175.52 174.37 1nlf h ALA 82 N 1.77 1.04 -0.22 6.62 0.00 -1.56 -2.58 119.26 124.34 1nlf h ALA 82 Ca 0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1nlf h ALA 82 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1nlf h ALA 82 CO 0.01 0.64 -0.53 0.82 0.00 0.00 0.00 179.25 180.19 1nlf h ILE 83 N 0.15 1.31 -0.40 0.00 1.08 -1.21 -1.76 117.51 116.67 1nlf h ILE 83 Ca 0.01 -1.76 0.01 0.00 -0.39 0.00 0.00 64.86 62.72 1nlf h ILE 83 Cb 0.92 1.71 -0.02 0.00 -3.07 0.00 0.00 36.82 36.37 1nlf h ILE 83 CO 0.07 0.55 0.26 0.45 -0.69 0.00 0.00 178.15 178.80 1nlf h HIS 84 N 0.49 0.50 -0.65 1.37 3.86 -1.07 -1.27 115.15 118.37 1nlf h HIS 84 Ca 0.01 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 1nlf h HIS 84 Cb 1.09 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 1nlf h HIS 84 CO 0.05 0.31 0.12 0.45 0.86 0.00 0.00 177.93 179.72 1nlf h HIS 85 N 0.53 1.13 -0.74 2.45 3.86 -1.36 -1.24 115.15 119.79 1nlf h HIS 85 Ca 0.15 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1nlf h HIS 85 Cb -0.06 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.07 1nlf h HIS 85 CO -0.05 0.95 0.37 -0.09 0.86 0.00 0.00 177.93 179.97 1nlf h ARG 86 N 0.99 1.06 -0.62 2.45 2.43 -1.01 -1.52 114.38 118.16 1nlf h ARG 86 Ca 0.20 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1nlf h ARG 86 Cb 0.41 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1nlf h ARG 86 CO 0.01 0.81 0.09 -0.07 -1.51 0.00 0.00 179.97 179.30 1nlf h LEU 87 N 1.03 0.99 -1.02 3.80 3.38 -1.01 -1.87 115.31 120.61 1nlf h LEU 87 Ca 0.26 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1nlf h LEU 87 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1nlf h LEU 87 CO -0.04 1.01 0.04 -0.74 0.09 0.00 0.00 178.44 178.80 1nlf h HIS 88 N 0.94 0.78 -0.14 1.13 2.76 -0.83 0.40 115.15 120.20 1nlf h HIS 88 Ca 0.19 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1nlf h HIS 88 Cb 0.44 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 1nlf h HIS 88 CO 0.03 0.71 -0.01 0.00 -1.30 0.00 0.00 177.93 177.35 1nlf h ALA 89 N 1.34 0.19 -0.44 5.26 0.00 -1.04 -2.91 119.26 121.66 1nlf h ALA 89 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1nlf h ALA 89 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1nlf h ALA 89 CO 0.01 -0.10 0.17 1.25 0.00 0.00 0.00 179.25 180.59 1nlf h LEU 90 N -0.03 0.56 -2.09 0.00 5.85 -1.12 -2.61 115.31 115.87 1nlf h LEU 90 Ca 0.04 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1nlf h LEU 90 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1nlf h LEU 90 CO 0.01 0.51 0.20 1.23 -0.34 0.00 0.00 178.44 180.06 1nlf h GLY 91 N 0.77 0.00 2.00 3.75 0.00 -0.71 -0.69 103.07 108.20 1nlf h GLY 91 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1nlf h GLY 91 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 1nlf n ALA 92 N -2.50 1.40 0.31 3.60 0.00 -0.98 -1.48 120.51 120.85 1nlf n ALA 92 Ca 0.03 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.71 1nlf n ALA 92 Cb 0.35 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.65 1nlf n ALA 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nlf n HIS 93 N -2.23 0.46 -5.23 0.00 -0.00 -0.26 -4.94 115.22 103.01 1nlf n HIS 93 Ca 0.01 -0.24 -0.31 0.00 -0.00 0.00 0.00 57.72 57.18 1nlf n HIS 93 Cb 0.15 -0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.98 1nlf n HIS 93 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1nlf s LEU 94 N -1.46 2.07 0.86 2.41 1.02 -0.55 -5.07 118.68 117.96 1nlf s LEU 94 Ca 0.37 -0.48 -0.12 0.00 0.02 0.00 0.00 54.13 53.92 1nlf s LEU 94 Cb 0.22 -1.31 0.11 0.00 0.02 0.00 0.00 46.19 45.22 1nlf s LEU 94 CO 0.30 0.31 1.16 -0.94 0.02 0.00 0.00 176.35 177.20 1nlf s SER 95 N -0.69 4.01 0.20 2.29 1.04 -1.26 -4.75 113.70 114.53 1nlf s SER 95 Ca 0.10 0.88 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 1nlf s SER 95 Cb -0.10 -1.42 0.22 0.00 0.10 0.00 0.00 66.02 64.82 1nlf s SER 95 CO -0.01 -2.23 1.76 0.00 0.98 0.00 0.00 173.24 173.75 1nlf h ALA 96 N -1.28 0.73 -0.67 5.32 0.00 -1.99 0.30 119.26 121.67 1nlf h ALA 96 Ca -0.48 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1nlf h ALA 96 Cb 1.33 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1nlf h ALA 96 CO 0.64 -0.14 0.15 1.49 0.00 0.00 0.00 179.25 181.38 1nlf h GLU 97 N 0.45 1.08 -0.27 0.00 4.22 -2.00 -2.45 114.58 115.62 1nlf h GLU 97 Ca 0.27 -0.26 -0.15 0.00 0.08 0.00 0.00 59.36 59.30 1nlf h GLU 97 Cb 0.27 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1nlf h GLU 97 CO -0.24 0.97 -0.42 0.93 -2.18 0.00 0.00 179.01 178.06 1nlf h GLU 98 N 1.02 0.68 -0.61 1.92 5.08 -1.75 -1.64 114.58 119.28 1nlf h GLU 98 Ca 0.21 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1nlf h GLU 98 Cb 0.38 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1nlf h GLU 98 CO 0.00 0.97 0.36 0.00 -1.00 0.00 0.00 179.01 179.35 1nlf h ARG 99 N 0.55 0.84 -0.54 2.33 3.08 -0.74 -1.17 114.38 118.73 1nlf h ARG 99 Ca 0.04 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 1nlf h ARG 99 Cb 0.96 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1nlf h ARG 99 CO 0.09 0.61 -0.03 0.37 -1.07 0.00 0.00 179.97 179.93 1nlf h GLN 100 N 0.83 0.95 -0.49 0.04 5.75 -1.30 -0.41 115.11 120.48 1nlf h GLN 100 Ca 0.22 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1nlf h GLN 100 Cb -0.01 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1nlf h GLN 100 CO -0.04 0.95 0.24 0.00 -2.65 0.00 0.00 178.83 177.33 1nlf h ALA 101 N 1.09 0.63 -0.20 3.38 0.00 -0.88 0.58 119.26 123.86 1nlf h ALA 101 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nlf h ALA 101 Cb 0.55 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1nlf h ALA 101 CO 0.03 0.19 0.06 0.28 0.00 0.00 0.00 179.25 179.81 1nlf h VAL 102 N 0.64 1.19 -0.34 0.00 2.07 -0.94 -1.93 116.25 116.94 1nlf h VAL 102 Ca 0.17 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1nlf h VAL 102 Cb 0.12 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1nlf h VAL 102 CO -0.02 0.19 0.16 0.00 0.02 0.00 0.00 177.57 177.92 1nlf h ALA 103 N 0.88 1.64 -0.04 1.67 0.00 -0.87 0.43 119.26 122.97 1nlf h ALA 103 Ca 0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1nlf h ALA 103 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nlf h ALA 103 CO -0.00 0.29 -0.62 -0.44 0.00 0.00 0.00 179.25 178.48 1nlf h ASP 104 N 0.47 0.16 -0.01 0.00 3.32 -0.54 -3.34 116.42 116.49 1nlf h ASP 104 Ca 0.12 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1nlf h ASP 104 Cb 0.06 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1nlf h ASP 104 CO -0.02 0.74 -0.32 0.61 -1.72 0.00 0.00 179.24 178.53 1nlf n GLY 105 N 0.29 -0.10 3.31 2.75 0.00 -0.76 -4.98 105.19 105.70 1nlf n GLY 105 Ca -0.02 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 1nlf n GLY 105 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nlf s LEU 106 N -1.96 2.36 -0.14 0.99 2.96 0.10 -0.93 118.68 122.06 1nlf s LEU 106 Ca 0.11 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1nlf s LEU 106 Cb 0.11 -1.48 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1nlf s LEU 106 CO 0.37 0.20 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.19 1nlf s LEU 107 N 0.09 2.25 -0.23 -0.68 2.96 -0.07 -4.79 118.68 118.21 1nlf s LEU 107 Ca -0.09 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.29 1nlf s LEU 107 Cb -0.15 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.09 1nlf s LEU 107 CO 0.06 0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.43 1nlf s ILE 108 N 0.70 2.29 -0.34 6.68 1.01 -1.26 -0.31 121.20 129.97 1nlf s ILE 108 Ca -0.09 -1.27 -0.02 0.00 0.00 0.00 0.00 60.65 59.27 1nlf s ILE 108 Cb -0.16 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.20 1nlf s ILE 108 CO 0.01 0.21 0.08 -1.58 0.00 0.00 0.00 174.94 173.66 1nlf s GLN 109 N 1.21 2.24 0.37 2.79 2.00 -0.84 -4.99 119.66 122.43 1nlf s GLN 109 Ca -0.02 -1.49 -0.28 0.00 -2.00 0.00 0.00 55.36 51.57 1nlf s GLN 109 Cb -0.17 -3.34 -0.10 0.00 0.80 0.00 0.00 33.01 30.19 1nlf s GLN 109 CO -0.08 -0.80 1.42 -2.14 -0.50 0.00 0.00 175.29 173.19 1nlf s PRO 110 N 1.20 4.15 -0.04 1.67 0.02 -1.26 -3.93 135.00 136.81 1nlf s PRO 110 Ca 0.01 2.43 0.05 0.00 0.02 0.00 0.00 61.00 63.51 1nlf s PRO 110 Cb -0.21 -2.97 0.08 0.00 0.02 0.00 0.00 34.50 31.43 1nlf s PRO 110 CO -0.02 -0.44 0.93 1.28 -0.33 0.00 0.00 177.00 178.42 1nlf n LEU 111 N 0.50 1.11 -4.70 -5.54 4.77 -0.05 -4.96 117.00 108.13 1nlf n LEU 111 Ca 0.01 -1.60 -0.42 0.00 -0.03 0.00 0.00 56.01 53.97 1nlf n LEU 111 Cb 0.40 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1nlf n LEU 111 CO 0.62 0.38 1.38 -0.51 -1.33 0.00 0.00 177.39 177.93 1nlf s ILE 112 N -1.04 2.50 0.00 -0.08 2.07 -1.25 -1.12 121.20 122.27 1nlf s ILE 112 Ca 0.09 0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 1nlf s ILE 112 Cb 0.08 -3.12 0.00 0.00 0.13 0.00 0.00 42.46 39.55 1nlf s ILE 112 CO 0.01 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1nlf n GLY 113 N 4.04 1.59 0.16 1.50 0.00 -1.26 -4.87 105.19 106.36 1nlf n GLY 113 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1nlf n GLY 113 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nlf h SER 114 N 0.00 0.00 -5.90 1.61 0.02 -1.49 -3.48 113.55 104.31 1nlf h SER 114 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 1nlf h SER 114 Cb 0.00 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.65 1nlf h SER 114 CO 0.00 0.00 -0.85 0.18 -1.14 0.00 0.00 176.83 175.02 1nlf n LEU 115 N -2.63 -3.78 -4.76 5.07 4.77 -1.26 -4.95 117.00 109.47 1nlf n LEU 115 Ca 0.04 -0.80 -0.39 0.00 -0.03 0.00 0.00 56.01 54.84 1nlf n LEU 115 Cb 0.44 -2.82 0.01 0.00 -2.33 0.00 0.00 43.42 38.73 1nlf n LEU 115 CO 0.31 0.35 0.97 -2.84 -1.33 0.00 0.00 177.39 174.84 1nlf s PRO 116 N -5.53 3.59 -0.29 3.23 0.02 -1.25 -5.00 135.00 129.77 1nlf s PRO 116 Ca 0.18 2.17 -0.02 0.00 0.02 0.00 0.00 61.00 63.35 1nlf s PRO 116 Cb -0.04 -2.50 0.12 0.00 0.02 0.00 0.00 34.50 32.09 1nlf s PRO 116 CO 0.79 -0.81 0.22 1.21 -0.33 0.00 0.00 177.00 178.08 1nlf s ASN 117 N -0.88 2.54 0.44 2.53 2.47 -1.26 -3.92 114.94 116.88 1nlf s ASN 117 Ca 0.64 -1.04 0.30 0.00 0.42 0.00 0.00 52.86 53.18 1nlf s ASN 117 Cb -0.38 0.10 1.62 0.00 -1.45 0.00 0.00 41.25 41.14 1nlf s ASN 117 CO 0.47 -0.41 1.92 -0.29 -3.72 0.00 0.00 177.10 175.07 1nlf h ILE 118 N 6.29 0.00 -0.00 -5.21 2.10 -1.39 0.12 117.51 119.42 1nlf h ILE 118 Ca -0.16 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1nlf h ILE 118 Cb 1.04 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 1nlf h ILE 118 CO 0.38 0.00 -0.13 0.23 -1.08 0.00 0.00 178.15 177.55 1nlf n MET 119 N -2.55 0.31 -3.48 2.19 2.81 -1.26 -4.19 117.12 110.96 1nlf n MET 119 Ca -0.02 -0.09 -0.37 0.00 -1.81 0.00 0.00 57.70 55.42 1nlf n MET 119 Cb 0.05 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.99 1nlf n MET 119 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nlf s ALA 120 N -2.75 3.57 0.25 3.04 0.00 0.41 -5.00 121.76 121.29 1nlf s ALA 120 Ca 0.21 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1nlf s ALA 120 Cb 0.19 -2.47 0.46 0.00 0.00 0.00 0.00 23.12 21.31 1nlf s ALA 120 CO 0.53 -0.00 1.62 -1.35 0.00 0.00 0.00 175.76 176.56 1nlf h PRO 121 N 6.84 0.07 -0.71 0.00 0.11 -1.85 -1.00 132.00 135.46 1nlf h PRO 121 Ca -0.40 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.78 1nlf h PRO 121 Cb 1.17 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 1nlf h PRO 121 CO 0.75 0.05 0.39 0.93 -0.21 0.00 0.00 178.00 179.90 1nlf h GLU 122 N 0.07 0.67 0.08 1.05 3.07 -1.94 -0.80 114.58 116.78 1nlf h GLU 122 Ca 0.44 -0.04 -0.26 0.00 -0.50 0.00 0.00 59.36 58.99 1nlf h GLU 122 Cb 0.77 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.54 1nlf h GLU 122 CO -0.74 0.44 -1.12 -1.49 -1.40 0.00 0.00 179.01 174.70 1nlf h TRP 123 N 0.69 0.68 -0.35 4.33 4.06 -1.47 -2.06 115.95 121.82 1nlf h TRP 123 Ca 0.33 -0.42 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1nlf h TRP 123 Cb 0.27 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 1nlf h TRP 123 CO -0.08 1.28 0.19 0.35 -3.56 0.00 0.00 178.44 176.62 1nlf h PHE 124 N 0.19 0.49 -0.44 0.49 3.57 -0.97 -0.70 116.94 119.56 1nlf h PHE 124 Ca -0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1nlf h PHE 124 Cb 1.80 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 1nlf h PHE 124 CO 0.08 0.39 0.25 -0.44 -2.23 0.00 0.00 178.31 176.36 1nlf h ASP 125 N 0.45 0.54 -0.60 0.41 3.45 -1.20 -0.91 116.42 118.57 1nlf h ASP 125 Ca 0.12 -0.08 -0.06 0.00 0.43 0.00 0.00 57.03 57.45 1nlf h ASP 125 Cb 0.06 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1nlf h ASP 125 CO -0.02 0.46 0.14 1.23 -1.57 0.00 0.00 179.24 179.48 1nlf h GLY 126 N 0.58 1.04 1.03 2.75 0.00 -1.15 -0.40 103.07 106.93 1nlf h GLY 126 Ca 0.16 -0.66 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 1nlf h GLY 126 CO -0.03 0.62 -0.18 1.41 0.00 0.00 0.00 176.54 178.36 1nlf h LEU 127 N 0.88 0.88 -0.71 3.11 3.38 -1.03 -1.00 115.31 120.81 1nlf h LEU 127 Ca 0.19 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1nlf h LEU 127 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1nlf h LEU 127 CO 0.00 1.08 0.39 0.50 0.09 0.00 0.00 178.44 180.50 1nlf h LYS 128 N 0.67 1.00 -0.80 1.13 3.64 -1.02 -1.20 116.57 119.99 1nlf h LYS 128 Ca 0.09 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1nlf h LYS 128 Cb 0.74 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1nlf h LYS 128 CO 0.06 0.74 0.39 -0.09 -2.27 0.00 0.00 179.45 178.28 1nlf h ARG 129 N 0.98 1.16 0.00 1.90 1.12 -0.87 -2.25 114.38 116.42 1nlf h ARG 129 Ca 0.25 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1nlf h ARG 129 Cb 0.04 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 29.79 1nlf h ARG 129 CO -0.04 0.89 0.00 0.00 -3.11 0.00 0.00 179.97 177.71 1nlf h ALA 130 N 1.20 1.00 0.00 2.80 0.00 -0.57 -2.88 119.26 120.81 1nlf h ALA 130 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1nlf h ALA 130 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nlf h ALA 130 CO -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 179.25 178.81 1nlf h ALA 131 N 2.10 0.81 -2.45 0.00 0.00 -0.63 -3.45 119.26 115.64 1nlf h ALA 131 Ca 0.00 -0.12 -0.56 0.00 0.00 0.00 0.00 54.91 54.23 1nlf h ALA 131 Cb 0.56 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.43 1nlf h ALA 131 CO 0.00 0.15 0.80 0.39 0.00 0.00 0.00 179.25 180.59 1nlf n GLU 132 N -3.00 2.33 -0.88 0.00 1.02 -1.09 -1.65 120.64 117.37 1nlf n GLU 132 Ca 0.02 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1nlf n GLU 132 Cb 0.59 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 1nlf n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nlf n GLY 133 N 2.88 0.58 3.78 0.62 0.00 -1.26 -5.00 105.19 106.79 1nlf n GLY 133 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1nlf n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nlf s ARG 134 N -0.42 2.82 -0.11 1.61 0.52 -0.66 -4.65 118.95 118.06 1nlf s ARG 134 Ca 0.00 -0.99 -0.09 0.00 -0.52 0.00 0.00 55.73 54.12 1nlf s ARG 134 Cb 0.00 -2.56 -0.27 0.00 0.52 0.00 0.00 34.95 32.65 1nlf s ARG 134 CO 0.00 0.44 0.42 -0.09 0.02 0.00 0.00 175.30 176.10 1nlf h ARG 135 N 2.08 0.27 -3.23 3.54 9.65 -0.75 -3.29 114.38 122.65 1nlf h ARG 135 Ca -0.48 -0.46 -0.18 0.00 -1.10 0.00 0.00 59.98 57.77 1nlf h ARG 135 Cb 1.22 0.17 -0.26 0.00 -1.39 0.00 0.00 29.97 29.71 1nlf h ARG 135 CO 0.62 1.22 -0.47 -1.17 2.80 0.00 0.00 179.97 182.96 1nlf s LEU 136 N -7.20 1.20 -0.11 3.80 2.96 -1.12 -1.72 118.68 116.49 1nlf s LEU 136 Ca -0.22 0.42 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 1nlf s LEU 136 Cb 0.06 0.71 0.01 0.00 0.50 0.00 0.00 46.19 47.48 1nlf s LEU 136 CO 0.77 -0.07 -0.15 -0.32 -1.32 0.00 0.00 176.35 175.25 1nlf s MET 137 N 0.12 2.25 -0.18 1.98 -2.45 -0.30 -0.87 119.30 119.85 1nlf s MET 137 Ca -0.00 -0.57 -0.02 0.00 -1.25 0.00 0.00 55.69 53.85 1nlf s MET 137 Cb -0.02 -1.92 -0.01 0.00 1.25 0.00 0.00 34.83 34.13 1nlf s MET 137 CO 0.00 -0.07 -0.08 0.08 1.05 0.00 0.00 175.02 176.01 1nlf s VAL 138 N 1.01 3.32 -0.25 10.11 1.01 -0.53 -1.70 120.40 133.37 1nlf s VAL 138 Ca -0.06 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1nlf s VAL 138 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1nlf s VAL 138 CO -0.02 0.47 0.08 -0.76 0.00 0.00 0.00 175.10 174.87 1nlf s LEU 139 N 0.87 3.50 -0.36 3.92 1.43 -0.61 -0.73 118.68 126.70 1nlf s LEU 139 Ca -0.02 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1nlf s LEU 139 Cb -0.15 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.24 1nlf s LEU 139 CO 0.01 -0.03 0.12 -0.62 0.23 0.00 0.00 176.35 176.06 1nlf s ASP 140 N 1.59 4.19 0.42 2.29 -1.08 -0.96 -0.69 116.67 122.44 1nlf s ASP 140 Ca 0.06 -2.09 0.07 0.00 -0.52 0.00 0.00 52.55 50.07 1nlf s ASP 140 Cb -0.15 -1.18 -0.06 0.00 -1.46 0.00 0.00 42.92 40.07 1nlf s ASP 140 CO 0.04 -0.36 0.10 0.42 0.52 0.00 0.00 175.17 175.89 1nlf s THR 141 N 1.01 2.09 0.30 1.71 -4.23 -1.26 -0.67 115.64 114.59 1nlf s THR 141 Ca 0.12 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1nlf s THR 141 Cb -0.20 -2.93 0.31 0.00 1.34 0.00 0.00 72.50 71.02 1nlf s THR 141 CO -0.13 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 175.86 1nlf h LEU 142 N 1.56 0.22 -1.95 4.79 5.85 -1.23 -1.70 115.31 122.85 1nlf h LEU 142 Ca -0.43 0.18 0.25 0.00 0.84 0.00 0.00 57.88 58.72 1nlf h LEU 142 Cb 1.25 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 1nlf h LEU 142 CO 0.75 -0.10 0.68 -0.09 -0.34 0.00 0.00 178.44 179.34 1nlf h ARG 143 N 0.30 0.00 -0.55 1.25 9.65 -1.91 0.14 114.38 123.25 1nlf h ARG 143 Ca 0.60 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.48 1nlf h ARG 143 Cb 1.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 1nlf h ARG 143 CO -0.61 0.00 0.00 0.54 2.80 0.00 0.00 179.97 182.70 1nlf n ARG 144 N -4.09 2.48 -0.03 0.20 5.12 -0.64 -3.98 116.66 115.72 1nlf n ARG 144 Ca 0.18 -1.86 0.01 0.00 -1.93 0.00 0.00 57.85 54.25 1nlf n ARG 144 Cb 0.99 -1.52 0.03 0.00 -1.16 0.00 0.00 32.46 30.79 1nlf n ARG 144 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1nlf n PHE 145 N 0.84 0.08 -3.59 -1.55 3.01 0.48 -3.93 117.46 112.81 1nlf n PHE 145 Ca 0.17 -0.40 -0.11 0.00 1.01 0.00 0.00 57.45 58.12 1nlf n PHE 145 Cb 0.52 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.92 1nlf n PHE 145 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1nlf s HIS 146 N -0.84 -0.31 -0.21 1.38 -3.43 -1.24 -0.96 115.29 109.68 1nlf s HIS 146 Ca 0.05 0.02 0.13 0.00 -0.80 0.00 0.00 55.06 54.45 1nlf s HIS 146 Cb 0.02 0.43 0.41 0.00 -1.43 0.00 0.00 32.58 32.01 1nlf s HIS 146 CO 0.03 -0.83 1.26 0.44 -2.00 0.00 0.00 174.74 173.64 1nlf n ILE 147 N -0.32 2.21 -2.94 -5.38 -5.35 -1.26 -4.92 119.36 101.40 1nlf n ILE 147 Ca -0.14 -2.87 -0.20 0.00 -0.27 0.00 0.00 62.75 59.26 1nlf n ILE 147 Cb 0.64 -0.26 0.07 0.00 -1.74 0.00 0.00 39.64 38.35 1nlf n ILE 147 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1nlf s GLU 148 N -3.14 2.17 -0.28 6.28 0.41 -1.26 -5.07 118.70 117.82 1nlf s GLU 148 Ca 0.38 -1.52 -0.21 0.00 -0.41 0.00 0.00 54.97 53.21 1nlf s GLU 148 Cb 0.36 -2.58 -0.01 0.00 -1.78 0.00 0.00 34.13 30.11 1nlf s GLU 148 CO -0.03 -0.98 0.67 -2.00 -0.49 0.00 0.00 175.26 172.43 1nlf s GLU 149 N -4.77 4.04 0.02 1.61 2.56 -1.26 -4.93 118.70 115.96 1nlf s GLU 149 Ca 0.63 0.53 0.14 0.00 0.00 0.00 0.00 54.97 56.27 1nlf s GLU 149 Cb -0.06 -3.68 0.61 0.00 2.00 0.00 0.00 34.13 33.00 1nlf s GLU 149 CO 0.40 -0.51 1.45 0.39 -0.56 0.00 0.00 175.26 176.43 1nlf n GLU 150 N 5.87 0.01 -0.16 4.30 1.02 -1.26 -1.62 120.64 128.81 1nlf n GLU 150 Ca 0.01 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.54 1nlf n GLU 150 Cb 0.49 -1.53 0.23 0.00 -0.02 0.00 0.00 31.44 30.61 1nlf n GLU 150 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1nlf n ASN 151 N -1.55 3.16 -4.43 1.62 0.23 -1.26 -4.65 115.26 108.37 1nlf n ASN 151 Ca 0.03 -1.95 -0.43 0.00 -0.53 0.00 0.00 54.58 51.70 1nlf n ASN 151 Cb 0.16 -0.21 -0.10 0.00 -2.08 0.00 0.00 39.78 37.55 1nlf n ASN 151 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nlf s ALA 152 N -1.58 3.44 0.26 -2.53 0.00 -0.64 -4.98 121.76 115.73 1nlf s ALA 152 Ca 0.37 -1.77 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 1nlf s ALA 152 Cb 0.22 -2.85 0.36 0.00 0.00 0.00 0.00 23.12 20.85 1nlf s ALA 152 CO 0.31 -1.48 1.88 0.66 0.00 0.00 0.00 175.76 177.13 1nlf h SER 153 N 8.60 1.01 0.93 0.00 4.64 -1.87 -2.07 113.55 124.79 1nlf h SER 153 Ca -0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1nlf h SER 153 Cb 1.11 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1nlf h SER 153 CO 0.73 0.66 -0.45 1.23 -0.87 0.00 0.00 176.83 178.14 1nlf h GLY 154 N 1.16 -1.31 0.71 -0.77 0.00 -1.95 -1.47 103.07 99.45 1nlf h GLY 154 Ca 0.41 0.48 0.05 0.00 0.00 0.00 0.00 47.33 48.27 1nlf h GLY 154 CO -0.16 -0.48 0.27 -2.55 0.00 0.00 0.00 176.54 173.63 1nlf h PRO 155 N -1.32 0.51 0.00 4.80 0.11 -1.89 -1.99 132.00 132.23 1nlf h PRO 155 Ca -0.13 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 1nlf h PRO 155 Cb 0.96 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1nlf h PRO 155 CO 0.21 0.34 -0.14 0.52 -0.21 0.00 0.00 178.00 178.72 1nlf h MET 156 N 0.53 0.00 -0.60 1.05 2.86 -1.41 -1.77 114.93 115.60 1nlf h MET 156 Ca 0.24 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1nlf h MET 156 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1nlf h MET 156 CO -0.16 0.14 -0.00 0.00 1.06 0.00 0.00 176.91 177.94 1nlf h ALA 157 N 1.86 0.86 -0.29 6.32 0.00 -0.49 0.32 119.26 127.85 1nlf h ALA 157 Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1nlf h ALA 157 Cb 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1nlf h ALA 157 CO 0.02 0.66 -0.30 1.96 0.00 0.00 0.00 179.25 181.59 1nlf h GLN 158 N 0.96 0.72 0.25 0.00 4.20 -1.18 0.13 115.11 120.17 1nlf h GLN 158 Ca 0.17 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1nlf h GLN 158 Cb 0.56 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1nlf h GLN 158 CO 0.03 1.00 -0.12 0.28 -0.67 0.00 0.00 178.83 179.35 1nlf h VAL 159 N 0.46 0.81 -0.42 -0.54 2.07 -1.14 -1.34 116.25 116.14 1nlf h VAL 159 Ca 0.04 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1nlf h VAL 159 Cb 0.88 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1nlf h VAL 159 CO 0.07 0.08 -0.09 0.40 0.02 0.00 0.00 177.57 178.05 1nlf h ILE 160 N -0.52 1.25 -0.78 4.57 2.04 -1.00 -2.66 117.51 120.40 1nlf h ILE 160 Ca -0.03 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 64.75 1nlf h ILE 160 Cb 0.39 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1nlf h ILE 160 CO 0.06 0.38 0.51 1.23 0.00 0.00 0.00 178.15 180.33 1nlf h GLY 161 N 0.97 1.09 1.64 5.37 0.00 -0.59 -1.16 103.07 110.39 1nlf h GLY 161 Ca 0.12 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1nlf h GLY 161 CO 0.03 0.30 -0.41 3.21 0.00 0.00 0.00 176.54 179.67 1nlf h ARG 162 N 0.91 0.39 -0.39 4.80 3.08 -0.89 -0.78 114.38 121.51 1nlf h ARG 162 Ca 0.32 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1nlf h ARG 162 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1nlf h ARG 162 CO -0.10 0.74 -0.25 0.52 -1.07 0.00 0.00 179.97 179.81 1nlf h MET 163 N 0.33 0.79 -0.73 0.04 2.86 -1.19 -1.85 114.93 115.18 1nlf h MET 163 Ca 0.03 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1nlf h MET 163 Cb 0.86 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1nlf h MET 163 CO 0.07 0.96 0.21 0.93 1.06 0.00 0.00 176.91 180.14 1nlf h GLU 164 N 0.69 1.15 -0.68 1.72 5.08 -0.85 -1.52 114.58 120.15 1nlf h GLU 164 Ca 0.09 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1nlf h GLU 164 Cb 0.78 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1nlf h GLU 164 CO 0.06 0.99 0.32 0.00 -1.00 0.00 0.00 179.01 179.38 1nlf h ALA 165 N 1.12 0.88 -0.17 3.43 0.00 -0.82 -0.73 119.26 122.96 1nlf h ALA 165 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1nlf h ALA 165 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nlf h ALA 165 CO -0.00 0.45 0.02 0.82 0.00 0.00 0.00 179.25 180.54 1nlf h ILE 166 N 0.95 1.23 -0.67 0.00 2.04 -1.08 -1.56 117.51 118.42 1nlf h ILE 166 Ca 0.23 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1nlf h ILE 166 Cb 0.13 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1nlf h ILE 166 CO -0.03 0.23 0.32 0.00 0.00 0.00 0.00 178.15 178.67 1nlf h ALA 167 N 0.81 0.87 -0.27 1.87 0.00 -1.15 -1.18 119.26 120.20 1nlf h ALA 167 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1nlf h ALA 167 Cb 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nlf h ALA 167 CO 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 179.25 179.52 1nlf h ALA 168 N 1.15 0.39 -0.33 0.00 0.00 -1.12 0.15 119.26 119.49 1nlf h ALA 168 Ca 0.23 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1nlf h ALA 168 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nlf h ALA 168 CO -0.03 0.29 -0.45 0.22 0.00 0.00 0.00 179.25 179.29 1nlf h ASP 169 N 0.33 0.97 0.52 0.00 -0.00 -1.21 -3.33 116.42 113.70 1nlf h ASP 169 Ca 0.06 -0.50 -0.13 0.00 -0.00 0.00 0.00 57.03 56.46 1nlf h ASP 169 Cb 0.69 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 39.72 1nlf h ASP 169 CO 0.05 1.28 -1.59 0.35 -0.00 0.00 0.00 179.24 179.32 1nlf n THR 170 N -4.06 0.88 -0.16 2.25 -2.24 -0.45 -4.96 114.28 105.54 1nlf n THR 170 Ca -0.03 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1nlf n THR 170 Cb 0.58 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1nlf n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nlf n GLY 171 N 1.38 1.24 3.65 3.38 0.00 0.51 -4.61 105.19 110.74 1nlf n GLY 171 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1nlf n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nlf s SER 173 N 1.29 5.52 -0.10 0.00 0.01 -0.70 -4.06 113.70 115.66 1nlf s SER 173 Ca 0.41 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.70 1nlf s SER 173 Cb -0.15 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.54 1nlf s SER 173 CO 0.07 -1.35 -0.12 -0.63 0.41 0.00 0.00 173.24 171.61 1nlf s ILE 174 N -2.16 1.27 -0.12 1.44 1.01 -0.62 -1.15 121.20 120.88 1nlf s ILE 174 Ca 0.68 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1nlf s ILE 174 Cb -0.20 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1nlf s ILE 174 CO 0.34 0.40 -0.19 -0.69 0.00 0.00 0.00 174.94 174.80 1nlf s VAL 175 N 1.07 1.79 0.00 2.92 1.01 -0.69 -0.49 120.40 126.01 1nlf s VAL 175 Ca -0.06 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.13 1nlf s VAL 175 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1nlf s VAL 175 CO -0.02 0.50 -0.10 0.72 0.00 0.00 0.00 175.10 176.20 1nlf s PHE 176 N 0.84 2.80 0.29 5.22 -0.12 -0.38 -1.57 117.98 125.05 1nlf s PHE 176 Ca -0.08 -0.10 -0.09 0.00 -0.05 0.00 0.00 56.93 56.61 1nlf s PHE 176 Cb -0.15 -1.58 -0.07 0.00 -0.63 0.00 0.00 43.02 40.58 1nlf s PHE 176 CO -0.01 0.32 0.62 -0.51 -0.05 0.00 0.00 175.22 175.59 1nlf s LEU 177 N -1.31 4.06 -0.12 -1.99 1.43 0.13 -1.71 118.68 119.17 1nlf s LEU 177 Ca 0.16 0.95 -0.06 0.00 -1.03 0.00 0.00 54.13 54.15 1nlf s LEU 177 Cb -0.11 -3.76 0.05 0.00 0.03 0.00 0.00 46.19 42.41 1nlf s LEU 177 CO 0.06 -0.19 0.28 -2.28 0.23 0.00 0.00 176.35 174.45 1nlf s HIS 178 N -2.03 -0.41 -0.10 0.29 5.65 -0.73 -1.03 115.29 116.94 1nlf s HIS 178 Ca 0.48 0.93 -0.28 0.00 0.25 0.00 0.00 55.06 56.44 1nlf s HIS 178 Cb -0.11 0.07 -0.02 0.00 -1.18 0.00 0.00 32.58 31.34 1nlf s HIS 178 CO 0.25 -0.29 0.92 -1.01 -0.65 0.00 0.00 174.74 173.96 1nlf s HIS 179 N 1.59 3.52 -0.22 3.88 3.76 -1.26 -2.63 115.29 123.93 1nlf s HIS 179 Ca -0.07 1.48 -0.38 0.00 -0.15 0.00 0.00 55.06 55.94 1nlf s HIS 179 Cb -0.11 -3.08 -0.14 0.00 1.11 0.00 0.00 32.58 30.36 1nlf s HIS 179 CO -0.09 -0.15 1.80 0.00 -0.85 0.00 0.00 174.74 175.45 1nlf n ALA 180 N 4.70 0.18 0.00 -1.40 0.00 0.11 -4.90 120.51 119.20 1nlf n ALA 180 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1nlf n ALA 180 Cb 0.49 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1nlf n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nlf n VAL 201 N 4.82 0.00 -0.00 0.00 0.31 -1.26 -4.85 118.33 117.35 1nlf n VAL 201 Ca 0.25 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.59 1nlf n VAL 201 Cb 0.18 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.10 1nlf n VAL 201 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1nlf n LEU 202 N 0.00 0.00 0.16 7.52 7.94 -1.26 -4.54 117.00 126.82 1nlf n LEU 202 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.01 1nlf n LEU 202 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 1nlf n LEU 202 CO 0.00 0.00 0.44 1.62 -1.11 0.00 0.00 177.39 178.34 1nlf h VAL 203 N 0.00 0.06 0.00 1.96 3.04 -1.98 -3.25 116.25 116.08 1nlf h VAL 203 Ca -0.00 -1.10 0.00 0.00 -1.01 0.00 0.00 66.70 64.59 1nlf h VAL 203 Cb 0.13 1.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1nlf h VAL 203 CO 0.00 0.04 0.00 0.44 -1.01 0.00 0.00 177.57 177.04 1nlf h ASP 204 N 0.00 0.00 -0.13 3.17 3.45 -2.04 -2.29 116.42 118.58 1nlf h ASP 204 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1nlf h ASP 204 Cb 1.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 1nlf h ASP 204 CO 0.00 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.26 1nlf n ASN 205 N -3.02 3.10 -4.47 6.45 5.03 -1.23 -4.94 115.26 116.18 1nlf n ASN 205 Ca -0.00 -1.98 -0.32 0.00 0.87 0.00 0.00 54.58 53.15 1nlf n ASN 205 Cb 0.23 -0.07 -0.13 0.00 -1.02 0.00 0.00 39.78 38.79 1nlf n ASN 205 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nlf s ILE 206 N -1.81 2.97 -0.34 2.41 -1.09 -0.86 -5.03 121.20 117.45 1nlf s ILE 206 Ca 0.31 -0.92 0.22 0.00 -2.23 0.00 0.00 60.65 58.03 1nlf s ILE 206 Cb 0.20 -2.20 -0.17 0.00 -1.58 0.00 0.00 42.46 38.71 1nlf s ILE 206 CO 0.30 0.48 0.84 0.54 -1.23 0.00 0.00 174.94 175.86 1nlf n ARG 207 N 1.95 0.48 -4.31 2.79 1.74 -1.26 -4.87 116.66 113.17 1nlf n ARG 207 Ca -0.16 -0.04 -0.23 0.00 -0.77 0.00 0.00 57.85 56.64 1nlf n ARG 207 Cb 0.52 -1.62 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 1nlf n ARG 207 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1nlf s TRP 208 N -3.34 1.20 -0.04 -1.55 -0.00 -1.26 -3.87 118.94 110.09 1nlf s TRP 208 Ca -0.01 -0.45 -0.02 0.00 -0.00 0.00 0.00 56.10 55.62 1nlf s TRP 208 Cb 0.13 -0.96 0.03 0.00 -0.00 0.00 0.00 33.47 32.67 1nlf s TRP 208 CO 0.84 -0.29 0.10 -1.14 -0.00 0.00 0.00 176.95 176.46 1nlf s GLN 209 N 0.96 0.06 0.32 5.86 0.74 -0.31 -1.16 119.66 126.13 1nlf s GLN 209 Ca -0.10 0.25 0.08 0.00 0.05 0.00 0.00 55.36 55.64 1nlf s GLN 209 Cb -0.15 -0.13 -0.06 0.00 1.10 0.00 0.00 33.01 33.77 1nlf s GLN 209 CO 0.00 -0.12 -0.06 -1.54 -0.55 0.00 0.00 175.29 173.02 1nlf s SER 210 N 0.81 3.22 0.18 6.67 1.04 0.59 -0.44 113.70 125.78 1nlf s SER 210 Ca -0.06 -1.22 -0.08 0.00 0.48 0.00 0.00 55.95 55.06 1nlf s SER 210 Cb -0.09 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1nlf s SER 210 CO -0.03 -0.32 0.29 -0.72 0.98 0.00 0.00 173.24 173.44 1nlf s TYR 211 N -2.85 0.51 -0.02 5.02 -0.85 -0.36 -0.54 117.35 118.27 1nlf s TYR 211 Ca 0.32 -0.85 0.04 0.00 -0.52 0.00 0.00 57.07 56.05 1nlf s TYR 211 Cb 0.04 -0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 1nlf s TYR 211 CO 0.15 -0.75 -0.13 -1.17 -1.52 0.00 0.00 175.55 172.13 1nlf s LEU 212 N -3.00 1.97 -0.15 -3.49 2.96 -0.90 -2.73 118.68 113.33 1nlf s LEU 212 Ca 0.21 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.84 1nlf s LEU 212 Cb 0.03 -0.68 0.08 0.00 0.50 0.00 0.00 46.19 46.12 1nlf s LEU 212 CO 0.03 0.14 0.23 -0.44 -1.32 0.00 0.00 176.35 174.99 1nlf s SER 213 N -0.18 0.87 0.41 3.68 0.01 -0.47 -4.60 113.70 113.42 1nlf s SER 213 Ca 0.03 0.18 -0.27 0.00 1.31 0.00 0.00 55.95 57.20 1nlf s SER 213 Cb -0.06 0.49 -0.10 0.00 0.21 0.00 0.00 66.02 66.56 1nlf s SER 213 CO -0.00 -0.28 1.45 -0.44 0.41 0.00 0.00 173.24 174.38 1nlf s SER 214 N 2.36 6.15 0.18 2.44 0.01 -1.26 -1.10 113.70 122.48 1nlf s SER 214 Ca 0.04 2.97 -0.33 0.00 1.31 0.00 0.00 55.95 59.94 1nlf s SER 214 Cb -0.14 -2.66 -0.13 0.00 0.21 0.00 0.00 66.02 63.31 1nlf s SER 214 CO -0.10 -0.99 1.67 0.80 0.41 0.00 0.00 173.24 175.03 1nlf n MET 215 N 0.17 2.51 -2.64 12.44 1.56 -0.71 -4.87 117.12 125.59 1nlf n MET 215 Ca 0.03 0.91 -0.22 0.00 -0.27 0.00 0.00 57.70 58.15 1nlf n MET 215 Cb 0.41 -2.72 0.04 0.00 2.15 0.00 0.00 33.22 33.09 1nlf n MET 215 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1nlf s THR 216 N 1.13 2.83 0.19 1.12 -4.23 -1.26 -4.80 115.64 110.62 1nlf s THR 216 Ca 0.77 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 60.57 1nlf s THR 216 Cb -0.58 -3.07 0.10 0.00 1.34 0.00 0.00 72.50 70.29 1nlf s THR 216 CO 0.35 -0.05 1.83 0.28 -0.54 0.00 0.00 174.62 176.49 1nlf h SER 217 N 0.05 0.60 -0.89 3.99 0.02 -1.99 -0.90 113.55 114.43 1nlf h SER 217 Ca -0.43 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1nlf h SER 217 Cb 1.29 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1nlf h SER 217 CO 0.54 0.43 0.58 0.00 -1.14 0.00 0.00 176.83 177.24 1nlf h ALA 218 N 1.25 1.15 -0.09 3.77 0.00 -2.00 -2.34 119.26 121.01 1nlf h ALA 218 Ca 0.24 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1nlf h ALA 218 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1nlf h ALA 218 CO -0.09 0.49 -0.60 0.93 0.00 0.00 0.00 179.25 179.97 1nlf h GLU 219 N 1.17 0.29 -0.53 0.00 5.08 -1.81 -2.44 114.58 116.34 1nlf h GLU 219 Ca 0.34 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1nlf h GLU 219 Cb -0.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1nlf h GLU 219 CO -0.09 0.81 0.22 0.00 -1.00 0.00 0.00 179.01 178.95 1nlf h ALA 220 N 1.15 0.69 -0.01 3.43 0.00 -0.76 0.42 119.26 124.17 1nlf h ALA 220 Ca -0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1nlf h ALA 220 Cb 1.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1nlf h ALA 220 CO 0.10 0.30 -0.46 0.93 0.00 0.00 0.00 179.25 180.11 1nlf h GLU 221 N 0.72 0.03 0.00 0.00 4.39 -1.39 0.18 114.58 118.51 1nlf h GLU 221 Ca 0.18 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 1nlf h GLU 221 Cb 0.19 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1nlf h GLU 221 CO -0.02 0.48 -0.42 1.49 -1.16 0.00 0.00 179.01 179.39 1nlf h GLU 222 N 0.03 0.00 -0.34 2.33 4.57 -0.87 -3.24 114.58 117.06 1nlf h GLU 222 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1nlf h GLU 222 Cb 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1nlf h GLU 222 CO 0.06 0.42 0.00 0.91 -1.18 0.00 0.00 179.01 179.22 1nlf n TRP 223 N -3.46 0.80 -1.28 0.92 7.02 0.07 -1.58 117.44 119.93 1nlf n TRP 223 Ca 0.00 -0.68 -0.07 0.00 -1.02 0.00 0.00 57.50 55.74 1nlf n TRP 223 Cb 0.57 -0.18 -0.03 0.00 -2.42 0.00 0.00 31.31 29.25 1nlf n TRP 223 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1nlf n GLY 224 N 0.14 0.82 3.58 6.99 0.00 -0.65 -4.20 105.19 111.87 1nlf n GLY 224 Ca 0.17 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 1nlf n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nlf s VAL 225 N -2.26 5.00 0.61 1.61 1.01 0.53 -5.02 120.40 121.88 1nlf s VAL 225 Ca 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 1nlf s VAL 225 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1nlf s VAL 225 CO 0.00 0.32 1.11 1.51 0.00 0.00 0.00 175.10 178.05 1nlf s ASP 226 N 1.38 5.36 1.32 3.32 3.84 -1.26 -3.89 116.67 126.73 1nlf s ASP 226 Ca 0.06 2.05 -0.20 0.00 -0.00 0.00 0.00 52.55 54.46 1nlf s ASP 226 Cb -0.15 -2.56 0.32 0.00 -1.38 0.00 0.00 42.92 39.15 1nlf s ASP 226 CO 0.06 -1.46 0.74 -0.67 -0.00 0.00 0.00 175.17 173.84 1nlf n ASP 227 N -2.00 -3.49 0.00 2.11 2.03 -1.26 -2.21 116.55 111.72 1nlf n ASP 227 Ca 0.11 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.79 1nlf n ASP 227 Cb 0.52 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 1nlf n ASP 227 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1nlf n ASP 228 N -4.55 0.00 -0.00 1.67 5.68 -1.26 -4.52 116.55 113.58 1nlf n ASP 228 Ca 0.10 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.41 1nlf n ASP 228 Cb 0.54 -0.73 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 1nlf n ASP 228 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nlf n GLN 229 N -1.77 4.95 0.32 0.11 1.13 -0.94 -4.64 117.38 116.55 1nlf n GLN 229 Ca 0.00 -0.00 0.21 0.00 -1.94 0.00 0.00 57.00 55.27 1nlf n GLN 229 Cb 0.00 -0.79 1.10 0.00 0.11 0.00 0.00 30.24 30.67 1nlf n GLN 229 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 1nlf h ARG 230 N 0.00 0.00 0.00 -1.09 0.11 -1.79 -2.09 114.38 109.52 1nlf h ARG 230 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1nlf h ARG 230 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1nlf h ARG 230 CO 0.00 0.01 0.00 0.07 0.10 0.00 0.00 179.97 180.15 1nlf h ARG 231 N 0.00 0.00 0.00 0.08 0.11 -1.87 -2.25 114.38 110.45 1nlf h ARG 231 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1nlf h ARG 231 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1nlf h ARG 231 CO 0.00 0.00 -0.25 1.19 0.10 0.00 0.00 179.97 181.01 1nlf n PHE 232 N -3.07 0.02 -4.51 4.08 3.01 -0.79 -4.92 117.46 111.29 1nlf n PHE 232 Ca -0.03 0.01 -0.30 0.00 1.01 0.00 0.00 57.45 58.14 1nlf n PHE 232 Cb 0.08 -0.39 -0.12 0.00 -0.01 0.00 0.00 39.48 39.03 1nlf n PHE 232 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1nlf s PHE 233 N -3.00 2.49 -0.02 1.38 0.40 -0.85 -0.29 117.98 118.09 1nlf s PHE 233 Ca 0.12 -0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1nlf s PHE 233 Cb 0.18 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.34 1nlf s PHE 233 CO 0.62 0.30 0.09 0.08 0.70 0.00 0.00 175.22 177.00 1nlf s VAL 234 N -1.02 0.02 -0.07 -0.44 1.01 -0.79 -1.75 120.40 117.37 1nlf s VAL 234 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1nlf s VAL 234 Cb -0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1nlf s VAL 234 CO 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 175.10 175.07 1nlf s ARG 235 N -0.31 2.99 -0.03 2.72 1.70 -0.26 -0.93 118.95 124.82 1nlf s ARG 235 Ca -0.04 -0.42 0.07 0.00 -0.47 0.00 0.00 55.73 54.87 1nlf s ARG 235 Cb -0.03 -2.80 -0.02 0.00 -0.57 0.00 0.00 34.95 31.53 1nlf s ARG 235 CO 0.00 0.70 -0.24 0.12 -1.08 0.00 0.00 175.30 174.80 1nlf s PHE 236 N -0.93 2.42 0.13 5.89 5.36 0.27 -1.37 117.98 129.75 1nlf s PHE 236 Ca 0.14 -0.46 -0.25 0.00 -0.96 0.00 0.00 56.93 55.40 1nlf s PHE 236 Cb -0.11 -1.55 0.07 0.00 -0.34 0.00 0.00 43.02 41.09 1nlf s PHE 236 CO 0.04 -0.05 0.79 0.20 -1.46 0.00 0.00 175.22 174.74 1nlf s GLY 237 N -0.52 -0.38 -0.35 13.12 0.00 -1.10 -0.53 107.32 117.56 1nlf s GLY 237 Ca 0.07 0.40 -0.14 0.00 0.00 0.00 0.00 44.72 45.05 1nlf s GLY 237 CO 0.00 0.12 0.29 0.14 0.00 0.00 0.00 173.10 173.66 1nlf s VAL 238 N -3.49 5.24 -0.21 1.40 1.01 -1.26 -1.22 120.40 121.88 1nlf s VAL 238 Ca 0.07 -0.18 0.21 0.00 0.00 0.00 0.00 61.98 62.08 1nlf s VAL 238 Cb -0.02 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1nlf s VAL 238 CO -0.04 -0.07 1.00 0.77 0.00 0.00 0.00 175.10 176.75 1nlf h SER 239 N 8.50 0.00 -3.16 3.32 4.64 -1.08 -3.46 113.55 122.32 1nlf h SER 239 Ca -0.30 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.77 1nlf h SER 239 Cb 1.15 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.91 1nlf h SER 239 CO 0.66 0.13 -0.58 -0.75 -0.87 0.00 0.00 176.83 175.42 1nlf s LYS 240 N -3.27 0.10 0.01 4.77 2.20 -0.79 -4.95 119.74 117.82 1nlf s LYS 240 Ca -0.01 0.56 -0.25 0.00 -0.36 0.00 0.00 55.97 55.90 1nlf s LYS 240 Cb 0.09 -0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.30 1nlf s LYS 240 CO 0.79 -0.24 0.58 0.00 -0.36 0.00 0.00 175.35 176.12 1nlf s ALA 241 N 1.89 -1.49 -0.05 3.13 0.00 -1.25 -1.16 121.76 122.82 1nlf s ALA 241 Ca -0.02 0.87 0.08 0.00 0.00 0.00 0.00 51.96 52.88 1nlf s ALA 241 Cb -0.12 0.24 -0.12 0.00 0.00 0.00 0.00 23.12 23.13 1nlf s ALA 241 CO -0.07 -0.45 0.10 0.09 0.00 0.00 0.00 175.76 175.43 1nlf n ASN 242 N 0.62 3.00 -4.30 0.00 3.02 -1.26 -5.06 115.26 111.28 1nlf n ASN 242 Ca -0.19 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.20 1nlf n ASN 242 Cb 0.59 1.02 -0.10 0.00 -0.61 0.00 0.00 39.78 40.68 1nlf n ASN 242 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nlf s TYR 243 N -2.38 1.45 0.00 3.10 2.02 -1.26 -5.12 117.35 115.15 1nlf s TYR 243 Ca -0.04 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.70 1nlf s TYR 243 Cb 0.04 -0.83 0.00 0.00 -0.40 0.00 0.00 41.96 40.77 1nlf s TYR 243 CO 0.35 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.63 1nlf n GLY 244 N -0.36 -0.35 3.76 0.71 0.00 -1.26 -4.58 105.19 103.11 1nlf n GLY 244 Ca -0.05 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1nlf n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nlf s ALA 245 N -3.01 2.49 0.25 4.61 0.00 -1.26 -4.92 121.76 119.92 1nlf s ALA 245 Ca 0.00 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.48 1nlf s ALA 245 Cb 0.00 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1nlf s ALA 245 CO 0.00 -1.22 1.38 -2.30 0.00 0.00 0.00 175.76 173.63 1nlf n PRO 246 N -1.91 2.02 -3.58 0.00 -0.02 -1.26 -4.84 135.00 125.40 1nlf n PRO 246 Ca 0.12 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.94 1nlf n PRO 246 Cb 0.51 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 1nlf n PRO 246 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1nlf s PHE 247 N -0.20 3.26 0.12 6.00 5.36 -1.26 -5.06 117.98 126.20 1nlf s PHE 247 Ca 0.66 0.21 -0.30 0.00 -0.96 0.00 0.00 56.93 56.54 1nlf s PHE 247 Cb -0.64 -2.37 -0.06 0.00 -0.34 0.00 0.00 43.02 39.60 1nlf s PHE 247 CO 0.51 -0.09 1.07 0.00 -1.46 0.00 0.00 175.22 175.25 1nlf s ALA 248 N 1.55 3.32 0.40 11.12 0.00 -1.26 -4.70 121.76 132.19 1nlf s ALA 248 Ca 0.09 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 1nlf s ALA 248 Cb -0.15 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.51 1nlf s ALA 248 CO 0.09 -0.20 0.91 -0.25 0.00 0.00 0.00 175.76 176.31 1nlf n ASP 249 N 2.90 0.81 -4.25 0.00 10.43 -1.26 -4.94 116.55 120.24 1nlf n ASP 249 Ca 0.04 1.03 -0.26 0.00 2.57 0.00 0.00 54.79 58.17 1nlf n ASP 249 Cb 0.47 -1.29 -0.15 0.00 1.84 0.00 0.00 41.12 42.00 1nlf n ASP 249 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1nlf s ARG 250 N -1.86 1.50 -0.21 -1.24 0.52 0.31 -4.97 118.95 113.01 1nlf s ARG 250 Ca 0.63 -0.89 -0.09 0.00 -0.52 0.00 0.00 55.73 54.86 1nlf s ARG 250 Cb -0.59 -1.57 -0.04 0.00 0.52 0.00 0.00 34.95 33.26 1nlf s ARG 250 CO 0.57 0.41 0.10 -1.58 0.02 0.00 0.00 175.30 174.82 1nlf s TRP 251 N -0.71 3.27 0.08 -0.53 0.52 -1.26 -0.57 118.94 119.74 1nlf s TRP 251 Ca 0.08 0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.38 1nlf s TRP 251 Cb -0.09 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 1nlf s TRP 251 CO 0.01 0.09 -0.18 -0.06 0.02 0.00 0.00 176.95 176.83 1nlf s PHE 252 N 0.70 2.54 -0.12 -1.98 2.99 -0.11 -4.47 117.98 117.54 1nlf s PHE 252 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 56.93 56.67 1nlf s PHE 252 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 43.02 41.45 1nlf s PHE 252 CO 0.02 0.32 0.08 0.50 -0.00 0.00 0.00 175.22 176.13 1nlf s ARG 253 N -1.78 3.34 -0.38 0.44 3.52 0.12 -1.88 118.95 122.33 1nlf s ARG 253 Ca 0.16 -0.25 -0.24 0.00 -0.13 0.00 0.00 55.73 55.27 1nlf s ARG 253 Cb -0.11 -3.06 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1nlf s ARG 253 CO 0.08 0.70 0.82 1.03 -0.81 0.00 0.00 175.30 177.11 1nlf s ARG 254 N -0.82 3.71 0.49 5.12 0.52 0.61 -2.27 118.95 126.31 1nlf s ARG 254 Ca 0.13 0.30 0.08 0.00 -0.52 0.00 0.00 55.73 55.72 1nlf s ARG 254 Cb -0.12 -3.83 0.08 0.00 0.52 0.00 0.00 34.95 31.60 1nlf s ARG 254 CO 0.03 -0.92 0.67 0.72 0.02 0.00 0.00 175.30 175.81 1nlf n HIS 255 N 6.57 -2.38 -1.55 -0.53 8.25 0.16 -4.93 115.22 120.81 1nlf n HIS 255 Ca 0.04 -1.78 -0.46 0.00 -0.26 0.00 0.00 57.72 55.25 1nlf n HIS 255 Cb 0.48 -0.46 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 1nlf n HIS 255 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1nlf n ASP 256 N -2.43 0.81 0.00 0.41 8.00 -1.26 0.04 116.55 122.12 1nlf n ASP 256 Ca 0.14 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.80 1nlf n ASP 256 Cb 0.50 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 1nlf n ASP 256 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nlf n GLY 257 N 1.52 1.62 0.56 0.44 0.00 -1.26 -2.98 105.19 105.09 1nlf n GLY 257 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1nlf n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nlf n GLY 258 N -2.00 0.61 3.69 -0.02 0.00 0.11 -4.95 105.19 102.62 1nlf n GLY 258 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1nlf n GLY 258 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nlf n VAL 259 N -2.01 0.21 -3.54 1.61 0.31 -1.16 -4.54 118.33 109.22 1nlf n VAL 259 Ca 0.00 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.90 1nlf n VAL 259 Cb 0.00 -1.73 -0.06 0.00 -0.91 0.00 0.00 33.84 31.13 1nlf n VAL 259 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1nlf s LEU 260 N 0.76 4.34 0.05 7.52 1.43 -1.26 -0.66 118.68 130.86 1nlf s LEU 260 Ca 0.75 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 1nlf s LEU 260 Cb -0.59 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1nlf s LEU 260 CO 0.38 0.20 -0.08 -0.54 0.23 0.00 0.00 176.35 176.54 1nlf s LYS 261 N -0.21 0.56 0.07 1.70 -0.14 -0.96 -4.66 119.74 116.10 1nlf s LYS 261 Ca 0.20 -0.81 -0.16 0.00 -1.36 0.00 0.00 55.97 53.83 1nlf s LYS 261 Cb -0.14 -0.29 -0.05 0.00 -1.68 0.00 0.00 37.83 35.66 1nlf s LYS 261 CO 0.08 0.05 1.28 -1.35 -0.76 0.00 0.00 175.35 174.64 1nlf h PRO 262 N 4.35 -0.15 -5.96 -1.68 0.11 -1.81 0.34 132.00 127.20 1nlf h PRO 262 Ca -0.36 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1nlf h PRO 262 Cb 1.20 0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.35 1nlf h PRO 262 CO 0.43 -0.10 -0.97 0.00 -0.21 0.00 0.00 178.00 177.15 1nlf n ALA 263 N -2.95 -2.59 -2.19 -0.75 0.00 -1.26 -3.89 120.51 106.87 1nlf n ALA 263 Ca -0.01 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1nlf n ALA 263 Cb 0.16 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 1nlf n ALA 263 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nlf s VAL 264 N -1.56 3.72 0.34 0.00 1.01 -1.26 -4.72 120.40 117.93 1nlf s VAL 264 Ca 0.15 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.56 1nlf s VAL 264 Cb -0.02 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1nlf s VAL 264 CO 0.55 0.17 0.12 -0.76 0.00 0.00 0.00 175.10 175.18 1nlf s LEU 265 N 0.34 3.23 -0.00 3.92 1.43 -1.26 -5.14 118.68 121.19 1nlf s LEU 265 Ca 0.56 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1nlf s LEU 265 Cb -0.32 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1nlf s LEU 265 CO 0.33 -0.28 -0.13 -1.61 0.23 0.00 0.00 176.35 174.89 1nlf s GLU 266 N -3.83 1.07 0.36 1.70 2.02 -1.26 -5.12 118.70 113.64 1nlf s GLU 266 Ca 0.37 -0.51 -0.28 0.00 0.02 0.00 0.00 54.97 54.57 1nlf s GLU 266 Cb -0.02 -1.04 -0.11 0.00 0.10 0.00 0.00 34.13 33.06 1nlf s GLU 266 CO 0.22 0.28 1.44 1.03 0.02 0.00 0.00 175.26 178.26 1nlf s ARG 267 N -0.41 4.17 -0.74 1.61 0.52 -1.26 -4.16 118.95 118.68 1nlf s ARG 267 Ca 0.05 2.48 -0.21 0.00 -0.52 0.00 0.00 55.73 57.53 1nlf s ARG 267 Cb -0.05 -3.00 0.10 0.00 0.52 0.00 0.00 34.95 32.51 1nlf s ARG 267 CO -0.00 -0.45 0.97 -0.65 0.02 0.00 0.00 175.30 175.19 1nlf s GLN 268 N -1.93 3.27 0.10 3.54 -1.52 -0.62 -4.91 119.66 117.60 1nlf s GLN 268 Ca 0.52 -1.25 -0.33 0.00 -1.95 0.00 0.00 55.36 52.35 1nlf s GLN 268 Cb -0.45 -4.47 -0.14 0.00 -0.22 0.00 0.00 33.01 27.73 1nlf s GLN 268 CO 0.60 -1.75 1.58 0.00 -0.25 0.00 0.00 175.29 175.47 1nlf h ARG 269 N 9.24 -0.80 -5.35 2.91 -0.00 -1.92 -3.40 114.38 115.05 1nlf h ARG 269 Ca -0.14 0.05 -0.60 0.00 -0.50 0.00 0.00 59.98 58.80 1nlf h ARG 269 Cb 1.06 0.18 -0.11 0.00 0.00 0.00 0.00 29.97 31.10 1nlf h ARG 269 CO 1.14 -0.54 -0.44 0.15 0.00 0.00 0.00 179.97 180.28 1nlf s LYS 270 N -5.91 4.17 0.89 0.04 1.02 -1.26 -5.07 119.74 113.61 1nlf s LYS 270 Ca -0.17 -0.13 -0.11 0.00 0.02 0.00 0.00 55.97 55.57 1nlf s LYS 270 Cb 0.06 -3.41 0.11 0.00 -0.52 0.00 0.00 37.83 34.07 1nlf s LYS 270 CO 0.62 0.31 1.04 -1.13 -0.92 0.00 0.00 175.35 175.27 1nlf n SER 271 N 3.45 0.12 -0.48 2.83 3.41 -1.26 -4.92 113.62 116.78 1nlf n SER 271 Ca -0.15 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.04 1nlf n SER 271 Cb 0.52 -1.44 0.29 0.00 -0.26 0.00 0.00 64.21 63.32 1nlf n SER 271 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nlf n LYS 272 N -3.55 1.38 0.00 4.33 5.02 -1.26 -4.99 118.16 119.09 1nlf n LYS 272 Ca 0.12 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 1nlf n LYS 272 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1nlf n LYS 272 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nlf n GLY 273 N 1.31 1.38 3.15 0.72 0.00 -1.26 -5.10 105.19 105.39 1nlf n GLY 273 Ca 0.14 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1nlf n GLY 273 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nlf s VAL 274 N 0.12 3.10 -1.77 1.61 1.01 -1.26 -5.20 120.40 118.01 1nlf s VAL 274 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1nlf s VAL 274 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1nlf s VAL 274 CO 0.00 -0.37 0.44 -2.65 0.00 0.00 0.00 175.10 172.52