#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 1.49 0.06 0.00 -4.23 -1.26 -5.03 115.64 106.67 1nlf s THR 3 Ca 0.00 -1.10 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1nlf s THR 3 Cb 0.00 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 1nlf s THR 3 CO 0.00 0.17 -0.16 -1.00 -0.54 0.00 0.00 174.62 173.09 1nlf s HIS 4 N -0.78 1.35 0.41 3.99 4.02 -1.26 -5.04 115.29 117.98 1nlf s HIS 4 Ca 0.06 -0.39 -0.15 0.00 1.02 0.00 0.00 55.06 55.60 1nlf s HIS 4 Cb -0.08 -0.78 -0.08 0.00 -1.02 0.00 0.00 32.58 30.62 1nlf s HIS 4 CO 0.01 0.07 0.83 -1.59 1.02 0.00 0.00 174.74 175.08 1nlf s LYS 5 N -1.40 3.95 0.65 1.40 -2.85 -1.26 -5.01 119.74 115.22 1nlf s LYS 5 Ca 0.02 0.73 -0.17 0.00 -1.00 0.00 0.00 55.97 55.54 1nlf s LYS 5 Cb -0.09 -2.32 -0.02 0.00 -2.06 0.00 0.00 37.83 33.34 1nlf s LYS 5 CO 0.02 -0.02 1.07 -2.30 0.10 0.00 0.00 175.35 174.22 1nlf n PRO 6 N -0.97 0.85 -2.38 1.78 -0.02 -1.26 -4.93 135.00 128.07 1nlf n PRO 6 Ca 0.04 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1nlf n PRO 6 Cb 0.54 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.56 3.39 -0.82 4.25 -1.09 -1.26 -4.95 121.20 119.16 1nlf s ILE 7 Ca 0.78 1.31 -0.23 0.00 -2.23 0.00 0.00 60.65 60.28 1nlf s ILE 7 Cb -0.38 -3.84 0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1nlf s ILE 7 CO 0.45 0.27 1.18 0.21 -1.23 0.00 0.00 174.94 175.82 1nlf s ASN 8 N -0.44 6.35 0.10 3.58 3.84 -1.26 -4.89 114.94 122.21 1nlf s ASN 8 Ca 0.48 -1.24 -0.23 0.00 0.21 0.00 0.00 52.86 52.08 1nlf s ASN 8 Cb -0.33 -2.48 -0.13 0.00 -0.55 0.00 0.00 41.25 37.76 1nlf s ASN 8 CO 0.41 -1.45 1.73 0.40 -2.79 0.00 0.00 177.10 175.40 1nlf h ILE 9 N 6.13 0.94 -1.01 -5.21 1.08 -2.00 -2.38 117.51 115.07 1nlf h ILE 9 Ca -0.07 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.45 1nlf h ILE 9 Cb 1.04 0.94 -0.06 0.00 -3.07 0.00 0.00 36.82 35.67 1nlf h ILE 9 CO 1.24 0.00 0.66 0.25 -0.69 0.00 0.00 178.15 179.60 1nlf h LEU 10 N -0.04 1.08 -0.57 1.44 5.85 -2.00 -1.95 115.31 119.11 1nlf h LEU 10 Ca 0.01 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1nlf h LEU 10 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1nlf h LEU 10 CO -0.03 0.71 0.14 -0.08 -0.34 0.00 0.00 178.44 178.85 1nlf h GLU 11 N 1.23 0.91 -0.59 1.25 4.81 -1.94 -0.67 114.58 119.59 1nlf h GLU 11 Ca 0.42 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1nlf h GLU 11 Cb 0.08 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1nlf h GLU 11 CO -0.15 0.84 0.28 0.00 -0.73 0.00 0.00 179.01 179.25 1nlf h ALA 12 N 1.03 1.39 0.06 2.92 0.00 -0.87 -2.37 119.26 121.41 1nlf h ALA 12 Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nlf h ALA 12 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nlf h ALA 12 CO 0.00 0.48 -0.03 0.74 0.00 0.00 0.00 179.25 180.44 1nlf h PHE 13 N 0.83 -0.08 -0.22 0.00 0.05 -1.09 -3.36 116.94 113.07 1nlf h PHE 13 Ca 0.20 -0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.95 1nlf h PHE 13 Cb 0.09 0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 1nlf h PHE 13 CO 0.01 0.45 -0.04 0.00 -0.18 0.00 0.00 178.31 178.55 1nlf h ALA 14 N 0.18 1.54 -3.32 2.45 0.00 -1.00 -3.45 119.26 115.66 1nlf h ALA 14 Ca -0.01 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 1nlf h ALA 14 Cb 0.56 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.03 1nlf h ALA 14 CO 0.01 0.34 -0.75 0.00 0.00 0.00 0.00 179.25 178.85 1nlf s ALA 15 N -4.90 0.75 -0.04 0.00 0.00 -0.90 -5.10 121.76 111.56 1nlf s ALA 15 Ca -0.06 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1nlf s ALA 15 Cb 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1nlf s ALA 15 CO 0.74 0.05 1.52 0.00 0.00 0.00 0.00 175.76 178.07 1nlf s ALA 16 N -1.23 3.62 0.67 0.00 0.00 -1.26 -4.67 121.76 118.90 1nlf s ALA 16 Ca -0.06 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1nlf s ALA 16 Cb -0.09 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1nlf s ALA 16 CO 0.01 -1.18 1.13 -2.14 0.00 0.00 0.00 175.76 173.57 1nlf s PRO 17 N 3.29 2.69 0.58 0.00 0.02 -1.26 -4.96 135.00 135.36 1nlf s PRO 17 Ca 0.68 1.45 -0.20 0.00 0.02 0.00 0.00 61.00 62.95 1nlf s PRO 17 Cb -0.32 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 1nlf s PRO 17 CO 0.27 -1.35 1.18 -2.30 -0.33 0.00 0.00 177.00 174.47 1nlf n PRO 18 N -2.47 1.26 -1.64 5.54 -0.02 -1.26 -4.90 135.00 131.51 1nlf n PRO 18 Ca 0.11 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 1nlf n PRO 18 Cb 0.52 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.12 0.98 -1.77 0.52 -0.02 -1.26 -4.91 135.00 127.43 1nlf n PRO 19 Ca 0.13 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.60 1nlf n PRO 19 Cb 0.46 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 1nlf n PRO 19 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nlf s LEU 20 N -2.49 3.83 -0.31 2.45 1.43 -1.26 -4.98 118.68 117.36 1nlf s LEU 20 Ca 0.77 2.78 -0.11 0.00 -1.03 0.00 0.00 54.13 56.54 1nlf s LEU 20 Cb -0.41 -4.29 -0.02 0.00 0.03 0.00 0.00 46.19 41.50 1nlf s LEU 20 CO 0.46 -1.61 0.18 -0.62 0.23 0.00 0.00 176.35 174.99 1nlf s ASP 21 N -0.96 5.75 -0.21 2.29 2.15 -1.26 -5.07 116.67 119.37 1nlf s ASP 21 Ca 0.72 -0.35 -0.09 0.00 0.43 0.00 0.00 52.55 53.27 1nlf s ASP 21 Cb -0.41 -2.06 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 1nlf s ASP 21 CO 0.48 -0.16 0.10 -0.31 -0.17 0.00 0.00 175.17 175.11 1nlf s TYR 22 N 1.68 3.25 0.10 -5.34 1.51 -1.26 -0.29 117.35 116.99 1nlf s TYR 22 Ca 0.06 0.05 -0.00 0.00 -1.01 0.00 0.00 57.07 56.16 1nlf s TYR 22 Cb -0.17 -2.17 -0.23 0.00 -0.11 0.00 0.00 41.96 39.27 1nlf s TYR 22 CO 0.08 0.04 1.21 -0.24 -1.11 0.00 0.00 175.55 175.53 1nlf h VAL 23 N 5.03 1.56 -4.11 0.71 3.04 -1.50 -3.41 116.25 117.57 1nlf h VAL 23 Ca -0.37 -3.12 -0.12 0.00 -1.01 0.00 0.00 66.70 62.07 1nlf h VAL 23 Cb 1.17 2.87 -0.14 0.00 -2.01 0.00 0.00 31.29 33.17 1nlf h VAL 23 CO 0.67 0.91 -0.53 -0.76 -1.01 0.00 0.00 177.57 176.85 1nlf s LEU 24 N -7.06 1.76 -0.28 3.16 1.43 -1.23 -4.80 118.68 111.66 1nlf s LEU 24 Ca -0.02 -0.93 -0.40 0.00 -1.03 0.00 0.00 54.13 51.75 1nlf s LEU 24 Cb 0.08 0.62 -0.15 0.00 0.03 0.00 0.00 46.19 46.77 1nlf s LEU 24 CO 0.86 -0.72 1.79 -2.65 0.23 0.00 0.00 176.35 175.86 1nlf n PRO 25 N -0.04 1.20 -0.82 1.29 -0.02 -1.26 -0.58 135.00 134.77 1nlf n PRO 25 Ca -0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1nlf n PRO 25 Cb 0.62 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 5.78 -0.87 -4.42 2.55 4.13 -1.26 -4.99 115.26 116.18 1nlf n ASN 26 Ca 0.28 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.17 1nlf n ASN 26 Cb 0.14 -1.28 -0.13 0.00 -1.54 0.00 0.00 39.78 36.98 1nlf n ASN 26 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1nlf s MET 27 N -0.54 3.58 0.13 3.52 1.75 0.25 -4.41 119.30 123.59 1nlf s MET 27 Ca 0.00 -0.52 -0.30 0.00 -1.25 0.00 0.00 55.69 53.62 1nlf s MET 27 Cb 0.00 -3.28 -0.07 0.00 2.84 0.00 0.00 34.83 34.32 1nlf s MET 27 CO 0.00 -0.21 1.14 0.08 -0.65 0.00 0.00 175.02 175.39 1nlf s VAL 28 N 1.59 3.91 0.31 10.11 1.01 -1.26 -1.36 120.40 134.71 1nlf s VAL 28 Ca 0.06 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.28 1nlf s VAL 28 Cb -0.15 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1nlf s VAL 28 CO 0.03 0.21 1.56 0.00 0.00 0.00 0.00 175.10 176.89 1nlf s ALA 29 N 0.26 3.70 0.00 5.51 0.00 0.60 -2.90 121.76 128.93 1nlf s ALA 29 Ca 0.53 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1nlf s ALA 29 Cb -0.30 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1nlf s ALA 29 CO 0.33 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.52 1nlf n GLY 30 N 1.78 0.95 2.92 0.00 0.00 -1.25 -4.98 105.19 104.61 1nlf n GLY 30 Ca 0.06 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1nlf n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nlf n THR 31 N -2.10 0.00 -4.72 2.61 -2.24 -1.14 -3.60 114.28 103.08 1nlf n THR 31 Ca 0.00 -1.99 -0.33 0.00 -2.27 0.00 0.00 64.05 59.46 1nlf n THR 31 Cb 0.00 0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 68.65 1nlf n THR 31 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nlf s VAL 32 N -2.65 3.44 0.19 2.28 1.01 -1.26 -1.96 120.40 121.45 1nlf s VAL 32 Ca 0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1nlf s VAL 32 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1nlf s VAL 32 CO 0.05 0.58 0.13 -0.83 0.00 0.00 0.00 175.10 175.04 1nlf s GLY 33 N -0.82 1.28 0.03 4.51 0.00 0.40 -4.26 107.32 108.46 1nlf s GLY 33 Ca 0.12 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.27 1nlf s GLY 33 CO 0.01 -1.35 -0.08 0.00 0.00 0.00 0.00 173.10 171.68 1nlf s ALA 34 N -4.13 0.66 -0.23 3.20 0.00 -0.70 -1.58 121.76 118.98 1nlf s ALA 34 Ca 0.35 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1nlf s ALA 34 Cb 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.20 1nlf s ALA 34 CO 0.09 0.06 -0.13 -1.17 0.00 0.00 0.00 175.76 174.61 1nlf s LEU 35 N -1.16 2.96 0.13 0.00 2.96 -0.57 -0.71 118.68 122.28 1nlf s LEU 35 Ca -0.05 -1.14 0.10 0.00 -0.22 0.00 0.00 54.13 52.82 1nlf s LEU 35 Cb -0.08 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1nlf s LEU 35 CO 0.00 -0.13 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.99 1nlf s VAL 36 N 1.18 2.54 0.00 1.68 1.01 -0.39 -1.21 120.40 125.21 1nlf s VAL 36 Ca -0.04 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1nlf s VAL 36 Cb -0.18 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1nlf s VAL 36 CO -0.08 0.09 0.00 -1.54 0.00 0.00 0.00 175.10 173.57 1nlf n SER 37 N 0.83 0.00 -4.74 3.32 3.41 -1.00 -2.23 113.62 113.21 1nlf n SER 37 Ca -0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.12 1nlf n SER 37 Cb 0.53 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.57 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 2.12 0.38 4.33 0.02 -1.26 -1.26 135.00 137.33 1nlf s PRO 38 Ca 0.00 1.46 -0.28 0.00 0.02 0.00 0.00 61.00 62.20 1nlf s PRO 38 Cb 0.00 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 1nlf s PRO 38 CO 0.00 -1.79 1.50 0.20 -0.33 0.00 0.00 177.00 176.58 1nlf s GLY 39 N -2.68 2.94 0.00 0.52 0.00 -1.26 -2.59 107.32 104.25 1nlf s GLY 39 Ca 0.67 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.99 1nlf s GLY 39 CO 0.50 2.28 0.00 0.61 0.00 0.00 0.00 173.10 176.49 1nlf n GLY 40 N 0.44 1.14 0.24 0.20 0.00 -1.26 -4.93 105.19 101.01 1nlf n GLY 40 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 1.18 0.00 4.61 0.00 -1.86 -3.46 119.26 119.73 1nlf h ALA 41 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nlf h ALA 41 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nlf h ALA 41 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1nlf n GLY 42 N -0.34 1.80 0.27 0.00 0.00 -1.26 -4.88 105.19 100.77 1nlf n GLY 42 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 0.79 -0.66 1.61 1.57 -1.91 -1.14 116.57 116.88 1nlf h LYS 43 Ca 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1nlf h LYS 43 Cb 0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1nlf h LYS 43 CO 0.00 0.52 0.25 0.77 -0.57 0.00 0.00 179.45 180.42 1nlf h SER 44 N 0.81 0.90 -0.08 0.86 0.02 -1.98 0.18 113.55 114.26 1nlf h SER 44 Ca 0.29 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1nlf h SER 44 Cb 0.09 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1nlf h SER 44 CO -0.14 0.82 -0.14 -0.03 -1.14 0.00 0.00 176.83 176.20 1nlf h MET 45 N 0.96 0.23 -0.50 3.45 1.85 -1.86 -2.12 114.93 116.93 1nlf h MET 45 Ca 0.22 -0.14 0.01 0.00 -0.61 0.00 0.00 59.70 59.18 1nlf h MET 45 Cb 0.21 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.22 1nlf h MET 45 CO -0.02 0.72 0.32 1.25 -0.40 0.00 0.00 176.91 178.79 1nlf h LEU 46 N -0.24 0.54 -0.66 3.39 5.85 -1.06 -1.56 115.31 121.57 1nlf h LEU 46 Ca 0.00 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1nlf h LEU 46 Cb 0.71 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1nlf h LEU 46 CO 0.03 0.39 0.42 0.00 -0.34 0.00 0.00 178.44 178.94 1nlf h ALA 47 N 1.20 0.86 -0.67 1.25 0.00 -0.65 -0.61 119.26 120.64 1nlf h ALA 47 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nlf h ALA 47 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1nlf h ALA 47 CO -0.06 0.19 0.25 1.25 0.00 0.00 0.00 179.25 180.88 1nlf h LEU 48 N 0.82 0.94 -0.59 0.00 5.85 -1.11 -0.50 115.31 120.73 1nlf h LEU 48 Ca 0.26 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1nlf h LEU 48 Cb -0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1nlf h LEU 48 CO -0.10 0.87 0.01 1.56 -0.34 0.00 0.00 178.44 180.44 1nlf h GLN 49 N 0.95 1.04 -0.33 1.25 4.20 -0.66 0.27 115.11 121.84 1nlf h GLN 49 Ca 0.22 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.47 1nlf h GLN 49 Cb 0.24 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1nlf h GLN 49 CO -0.01 1.02 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.74 1nlf h LEU 50 N 0.93 0.78 -0.49 1.46 -0.00 -0.98 -1.97 115.31 115.04 1nlf h LEU 50 Ca 0.17 -0.33 -0.02 0.00 -0.00 0.00 0.00 57.88 57.70 1nlf h LEU 50 Cb 0.55 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1nlf h LEU 50 CO 0.03 1.05 0.23 0.00 -0.00 0.00 0.00 178.44 179.75 1nlf h ALA 51 N 0.99 0.63 -0.36 1.53 0.00 -0.84 -1.15 119.26 120.06 1nlf h ALA 51 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1nlf h ALA 51 Cb 0.89 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1nlf h ALA 51 CO 0.08 0.20 0.02 0.00 0.00 0.00 0.00 179.25 179.55 1nlf h ALA 52 N 1.07 1.37 -0.09 0.00 0.00 -0.79 -0.78 119.26 120.04 1nlf h ALA 52 Ca 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1nlf h ALA 52 Cb 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nlf h ALA 52 CO -0.02 0.44 -0.15 0.37 0.00 0.00 0.00 179.25 179.90 1nlf h GLN 53 N 0.54 0.26 -0.09 0.00 4.15 -0.91 0.23 115.11 119.28 1nlf h GLN 53 Ca 0.12 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 1nlf h GLN 53 Cb 0.31 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1nlf h GLN 53 CO 0.01 0.73 -0.27 0.82 -1.93 0.00 0.00 178.83 178.19 1nlf h ILE 54 N -0.19 1.24 0.00 2.39 2.04 -1.10 -1.72 117.51 120.17 1nlf h ILE 54 Ca 0.01 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1nlf h ILE 54 Cb 0.71 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1nlf h ILE 54 CO 0.03 0.33 -0.11 0.00 0.00 0.00 0.00 178.15 178.40 1nlf h ALA 55 N 1.57 1.35 0.00 1.87 0.00 -1.07 -0.26 119.26 122.72 1nlf h ALA 55 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nlf h ALA 55 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1nlf h ALA 55 CO 0.04 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1nlf n GLY 56 N -0.79 -0.17 3.68 0.00 0.00 -0.66 -4.18 105.19 103.08 1nlf n GLY 56 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 1.64 0.71 -0.02 0.00 0.78 -4.72 107.32 105.70 1nlf s GLY 57 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 1nlf s GLY 57 CO 0.00 -0.18 1.08 2.56 0.00 0.00 0.00 173.10 176.56 1nlf s PRO 58 N -5.56 2.87 -1.31 2.90 0.04 -1.26 -4.56 135.00 128.11 1nlf s PRO 58 Ca 0.72 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1nlf s PRO 58 Cb -0.08 -2.01 0.14 0.00 0.04 0.00 0.00 34.50 32.59 1nlf s PRO 58 CO 0.55 -1.06 1.89 -3.47 0.04 0.00 0.00 177.00 174.94 1nlf n ASP 59 N -3.06 4.85 0.01 6.66 2.03 -1.26 -4.57 116.55 121.21 1nlf n ASP 59 Ca 0.07 -3.03 0.02 0.00 0.52 0.00 0.00 54.79 52.37 1nlf n ASP 59 Cb 0.56 -1.54 0.37 0.00 -0.72 0.00 0.00 41.12 39.79 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 8.77 0.45 -0.10 -2.67 3.38 -1.93 -2.02 115.31 121.19 1nlf h LEU 60 Ca 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1nlf h LEU 60 Cb 0.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1nlf h LEU 60 CO 1.62 0.43 0.00 0.18 0.09 0.00 0.00 178.44 180.76 1nlf n LEU 61 N -4.38 0.44 -3.68 1.67 4.77 -1.26 -4.34 117.00 110.22 1nlf n LEU 61 Ca 0.02 0.56 -0.25 0.00 -0.03 0.00 0.00 56.01 56.31 1nlf n LEU 61 Cb 0.15 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1nlf n LEU 61 CO 0.37 -0.18 0.16 -0.62 -1.33 0.00 0.00 177.39 175.78 1nlf n GLU 62 N -1.93 -6.80 -0.32 3.23 1.02 -0.76 -4.62 120.64 110.47 1nlf n GLU 62 Ca 0.05 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1nlf n GLU 62 Cb 0.34 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.06 1nlf n GLU 62 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1nlf n VAL 63 N -4.72 0.00 -1.19 2.62 0.24 -1.26 -5.03 118.33 108.98 1nlf n VAL 63 Ca -0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.95 1nlf n VAL 63 Cb 0.58 -1.45 0.13 0.00 -1.47 0.00 0.00 33.84 31.63 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 -1.86 1.63 0.16 7.63 0.00 -1.26 -4.95 107.32 108.66 1nlf s GLY 64 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 1nlf s GLY 64 CO 0.00 0.47 1.24 1.85 0.00 0.00 0.00 173.10 176.66 1nlf s GLU 65 N -4.91 4.44 0.09 2.90 2.56 -1.26 -5.01 118.70 117.51 1nlf s GLU 65 Ca 0.63 1.91 0.10 0.00 0.00 0.00 0.00 54.97 57.61 1nlf s GLU 65 Cb -0.18 -3.25 -0.03 0.00 2.00 0.00 0.00 34.13 32.66 1nlf s GLU 65 CO 0.57 -0.19 -0.26 -0.51 -0.56 0.00 0.00 175.26 174.31 1nlf s LEU 66 N 0.15 2.26 0.71 2.70 1.43 -1.26 -5.09 118.68 119.57 1nlf s LEU 66 Ca 0.56 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 1nlf s LEU 66 Cb -0.33 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1nlf s LEU 66 CO 0.35 0.20 1.11 -2.65 0.23 0.00 0.00 176.35 175.59 1nlf n PRO 67 N 1.28 0.66 -4.00 1.29 -0.02 -1.26 -4.91 135.00 128.04 1nlf n PRO 67 Ca -0.18 0.29 -0.28 0.00 -2.02 0.00 0.00 63.50 61.31 1nlf n PRO 67 Cb 0.53 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1nlf n PRO 67 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nlf s THR 68 N -1.72 4.94 -0.19 3.45 -4.23 -1.26 -4.75 115.64 111.89 1nlf s THR 68 Ca 0.77 -0.77 -0.35 0.00 -1.18 0.00 0.00 61.69 60.15 1nlf s THR 68 Cb -0.35 -3.49 0.14 0.00 1.34 0.00 0.00 72.50 70.14 1nlf s THR 68 CO 0.47 -0.02 1.25 -0.83 -0.54 0.00 0.00 174.62 174.95 1nlf s GLY 69 N -2.93 -0.29 0.33 3.99 0.00 -0.11 -5.03 107.32 103.28 1nlf s GLY 69 Ca 0.33 1.55 -0.29 0.00 0.00 0.00 0.00 44.72 46.31 1nlf s GLY 69 CO 0.26 0.50 1.40 -1.05 0.00 0.00 0.00 173.10 174.21 1nlf n PRO 70 N -0.12 2.33 -4.61 2.90 -0.02 -1.26 -3.74 135.00 130.48 1nlf n PRO 70 Ca 0.00 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.07 1nlf n PRO 70 Cb 0.58 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 1nlf n PRO 70 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nlf s VAL 71 N -0.81 1.44 -0.10 -1.45 1.01 0.13 -0.96 120.40 119.66 1nlf s VAL 71 Ca 0.58 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1nlf s VAL 71 Cb -0.55 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1nlf s VAL 71 CO 0.59 0.20 -0.14 -0.51 0.00 0.00 0.00 175.10 175.24 1nlf s ILE 72 N -0.71 1.39 -0.18 2.22 2.07 -0.59 -0.37 121.20 125.03 1nlf s ILE 72 Ca 0.06 -0.58 -0.03 0.00 -1.41 0.00 0.00 60.65 58.69 1nlf s ILE 72 Cb -0.08 -1.28 -0.01 0.00 0.13 0.00 0.00 42.46 41.21 1nlf s ILE 72 CO 0.01 0.42 -0.07 -0.47 -1.91 0.00 0.00 174.94 172.92 1nlf s TYR 73 N 1.02 2.93 -0.63 3.50 5.04 0.10 -1.57 117.35 127.74 1nlf s TYR 73 Ca -0.06 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 1nlf s TYR 73 Cb -0.15 -1.99 0.16 0.00 0.35 0.00 0.00 41.96 40.33 1nlf s TYR 73 CO -0.02 -0.33 0.43 -0.51 -1.34 0.00 0.00 175.55 173.78 1nlf s LEU 74 N 0.89 4.93 -0.24 6.97 1.43 0.15 -1.78 118.68 131.03 1nlf s LEU 74 Ca -0.01 -3.12 -0.25 0.00 -1.03 0.00 0.00 54.13 49.72 1nlf s LEU 74 Cb -0.15 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1nlf s LEU 74 CO 0.01 -0.27 0.83 -2.16 0.23 0.00 0.00 176.35 174.99 1nlf s PRO 75 N -0.45 4.19 0.00 1.29 0.04 -1.25 -2.09 135.00 136.73 1nlf s PRO 75 Ca 0.19 0.95 0.10 0.00 0.04 0.00 0.00 61.00 62.27 1nlf s PRO 75 Cb -0.19 -3.64 0.16 0.00 0.04 0.00 0.00 34.50 30.87 1nlf s PRO 75 CO -0.05 -0.50 0.99 0.00 0.04 0.00 0.00 177.00 177.48 1nlf n ALA 76 N 5.94 2.34 0.04 8.56 0.00 0.06 -1.05 120.51 136.40 1nlf n ALA 76 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 53.44 52.69 1nlf n ALA 76 Cb 0.48 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 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 0.48 3.35 -3.89 0.00 1.02 -1.23 -3.95 120.64 116.42 1nlf n GLU 77 Ca 0.08 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.84 1nlf n GLU 77 Cb 0.31 -0.80 -0.06 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.66 6.35 0.45 1.62 -0.00 -1.26 -5.04 116.67 117.13 1nlf s ASP 78 Ca 0.00 0.45 -0.23 0.00 -0.00 0.00 0.00 52.55 52.76 1nlf s ASP 78 Cb 0.01 -2.06 -0.07 0.00 -0.00 0.00 0.00 42.92 40.80 1nlf s ASP 78 CO 0.07 0.40 1.20 -2.84 -0.00 0.00 0.00 175.17 173.99 1nlf s PRO 79 N -0.95 3.77 0.25 8.23 0.02 -1.26 -4.69 135.00 140.37 1nlf s PRO 79 Ca 0.15 1.87 -0.03 0.00 0.02 0.00 0.00 61.00 63.00 1nlf s PRO 79 Cb -0.12 -2.47 0.48 0.00 0.02 0.00 0.00 34.50 32.40 1nlf s PRO 79 CO 0.04 -0.57 1.74 -1.35 -0.33 0.00 0.00 177.00 176.53 1nlf h PRO 80 N 2.16 0.47 0.00 5.54 0.11 -1.98 -1.33 132.00 136.97 1nlf h PRO 80 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1nlf h PRO 80 Cb 1.25 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nlf h PRO 80 CO 0.61 0.31 -0.05 1.79 -0.21 0.00 0.00 178.00 180.44 1nlf h THR 81 N 0.48 0.56 -0.04 -1.15 1.35 -2.00 -0.62 112.91 111.48 1nlf h THR 81 Ca 0.43 -0.24 -0.20 0.00 -0.55 0.00 0.00 66.41 65.85 1nlf h THR 81 Cb 0.64 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1nlf h THR 81 CO -0.39 0.05 -0.81 0.00 -0.25 0.00 0.00 175.52 174.12 1nlf h ALA 82 N 1.95 0.51 -0.32 6.62 0.00 -1.61 -2.77 119.26 123.63 1nlf h ALA 82 Ca -0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 1nlf h ALA 82 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1nlf h ALA 82 CO 0.01 0.79 -0.24 0.82 0.00 0.00 0.00 179.25 180.64 1nlf h ILE 83 N 0.24 1.27 0.05 0.00 1.08 -0.94 -1.46 117.51 117.75 1nlf h ILE 83 Ca -0.05 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1nlf h ILE 83 Cb 1.41 1.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.44 1nlf h ILE 83 CO 0.14 0.43 -0.03 0.45 -0.69 0.00 0.00 178.15 178.45 1nlf h HIS 84 N 0.56 -0.07 -0.82 1.37 3.86 -1.16 -0.59 115.15 118.29 1nlf h HIS 84 Ca 0.08 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1nlf h HIS 84 Cb 0.70 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.16 1nlf h HIS 84 CO 0.03 -0.05 0.52 0.45 0.86 0.00 0.00 177.93 179.74 1nlf h HIS 85 N -0.07 1.05 -0.43 2.45 3.86 -1.27 -0.10 115.15 120.64 1nlf h HIS 85 Ca -0.00 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 1nlf h HIS 85 Cb 0.06 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1nlf h HIS 85 CO -0.08 0.68 -0.05 -0.09 0.86 0.00 0.00 177.93 179.25 1nlf h ARG 86 N 1.12 0.79 -0.60 2.45 2.43 -0.93 -1.61 114.38 118.02 1nlf h ARG 86 Ca 0.30 -0.28 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1nlf h ARG 86 Cb -0.09 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1nlf h ARG 86 CO -0.06 0.88 0.14 -0.07 -1.51 0.00 0.00 179.97 179.35 1nlf h LEU 87 N 0.62 0.92 -0.76 3.80 3.38 -0.62 -1.61 115.31 121.04 1nlf h LEU 87 Ca 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1nlf h LEU 87 Cb 0.56 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1nlf h LEU 87 CO 0.03 0.92 0.48 -0.74 0.09 0.00 0.00 178.44 179.23 1nlf h HIS 88 N 0.88 0.99 -0.10 1.13 2.76 -0.84 0.11 115.15 120.08 1nlf h HIS 88 Ca 0.19 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1nlf h HIS 88 Cb 0.37 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1nlf h HIS 88 CO 0.03 0.64 0.07 0.00 -1.30 0.00 0.00 177.93 177.37 1nlf h ALA 89 N 1.26 0.13 -0.94 5.26 0.00 -1.00 -2.54 119.26 121.43 1nlf h ALA 89 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nlf h ALA 89 Cb -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1nlf h ALA 89 CO -0.06 -0.37 0.60 1.25 0.00 0.00 0.00 179.25 180.68 1nlf h LEU 90 N 0.13 1.09 -1.97 0.00 5.85 -0.93 -2.51 115.31 116.98 1nlf h LEU 90 Ca 0.04 -0.04 0.21 0.00 0.84 0.00 0.00 57.88 58.92 1nlf h LEU 90 Cb 0.00 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 1nlf h LEU 90 CO -0.01 0.81 0.57 1.23 -0.34 0.00 0.00 178.44 180.70 1nlf h GLY 91 N 1.28 0.00 2.00 3.75 0.00 -0.35 0.16 103.07 109.91 1nlf h GLY 91 Ca 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 1nlf h GLY 91 CO -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.46 1nlf h ALA 92 N 1.54 1.02 -0.17 3.60 0.00 -1.38 -2.11 119.26 121.76 1nlf h ALA 92 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1nlf h ALA 92 Cb 1.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1nlf h ALA 92 CO -0.00 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1nlf n HIS 93 N -3.12 0.19 -4.65 0.00 -0.00 0.56 -4.94 115.22 103.26 1nlf n HIS 93 Ca -0.02 -0.10 -0.31 0.00 -0.00 0.00 0.00 57.72 57.30 1nlf n HIS 93 Cb 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.03 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 -1.79 2.70 0.92 2.41 2.01 -0.79 -5.08 118.68 119.05 1nlf s LEU 94 Ca 0.33 -0.36 -0.13 0.00 0.01 0.00 0.00 54.13 53.98 1nlf s LEU 94 Cb 0.21 -1.57 0.14 0.00 0.01 0.00 0.00 46.19 44.98 1nlf s LEU 94 CO 0.31 0.27 1.17 -0.94 1.01 0.00 0.00 176.35 178.16 1nlf s SER 95 N -1.37 3.49 0.27 2.29 1.04 -1.26 -4.76 113.70 113.40 1nlf s SER 95 Ca 0.15 0.81 -0.02 0.00 0.48 0.00 0.00 55.95 57.37 1nlf s SER 95 Cb -0.11 -1.28 0.37 0.00 0.10 0.00 0.00 66.02 65.11 1nlf s SER 95 CO 0.05 -2.54 1.80 0.00 0.98 0.00 0.00 173.24 173.53 1nlf h ALA 96 N -1.50 1.17 -0.22 5.32 0.00 -1.99 0.22 119.26 122.27 1nlf h ALA 96 Ca -0.48 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 1nlf h ALA 96 Cb 1.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1nlf h ALA 96 CO 0.58 0.56 -0.48 1.49 0.00 0.00 0.00 179.25 181.39 1nlf h GLU 97 N 0.80 0.58 -0.27 0.00 4.81 -2.00 -2.64 114.58 115.86 1nlf h GLU 97 Ca 0.17 -0.33 -0.19 0.00 -0.13 0.00 0.00 59.36 58.88 1nlf h GLU 97 Cb 0.33 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1nlf h GLU 97 CO 0.00 0.93 -0.59 0.93 -0.73 0.00 0.00 179.01 179.56 1nlf h GLU 98 N 0.46 0.87 -0.81 1.92 5.08 -1.82 -2.09 114.58 118.18 1nlf h GLU 98 Ca 0.02 -0.57 0.03 0.00 -1.00 0.00 0.00 59.36 57.84 1nlf h GLU 98 Cb 1.01 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1nlf h GLU 98 CO 0.09 1.20 0.53 0.00 -1.00 0.00 0.00 179.01 179.84 1nlf h ARG 99 N 0.65 1.00 -0.24 2.33 3.08 -0.92 -0.89 114.38 119.39 1nlf h ARG 99 Ca 0.00 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1nlf h ARG 99 Cb 1.20 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1nlf h ARG 99 CO 0.13 0.66 -0.07 0.37 -1.07 0.00 0.00 179.97 179.99 1nlf h GLN 100 N 1.03 0.47 -0.85 0.04 5.75 -1.32 -1.76 115.11 118.47 1nlf h GLN 100 Ca 0.32 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1nlf h GLN 100 Cb -0.00 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 1nlf h GLN 100 CO -0.09 0.71 0.52 0.00 -2.65 0.00 0.00 178.83 177.32 1nlf h ALA 101 N 0.75 1.09 -0.15 3.38 0.00 -0.81 0.42 119.26 123.94 1nlf h ALA 101 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1nlf h ALA 101 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nlf h ALA 101 CO 0.03 0.55 0.06 0.28 0.00 0.00 0.00 179.25 180.17 1nlf h VAL 102 N 1.17 1.15 -0.07 0.00 2.07 -1.09 -2.14 116.25 117.34 1nlf h VAL 102 Ca 0.31 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1nlf h VAL 102 Cb -0.05 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1nlf h VAL 102 CO -0.06 0.14 -0.13 0.00 0.02 0.00 0.00 177.57 177.55 1nlf h ALA 103 N 0.91 1.66 0.00 1.67 0.00 -0.98 0.18 119.26 122.70 1nlf h ALA 103 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1nlf h ALA 103 Cb 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1nlf h ALA 103 CO -0.00 0.26 -0.59 -0.44 0.00 0.00 0.00 179.25 178.47 1nlf h ASP 104 N 0.11 0.00 -0.01 0.00 3.32 -0.49 -3.33 116.42 116.02 1nlf h ASP 104 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nlf h ASP 104 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1nlf h ASP 104 CO 0.02 0.59 -0.02 0.61 -1.72 0.00 0.00 179.24 178.73 1nlf n GLY 105 N 0.29 -0.60 3.29 2.75 0.00 -0.84 -5.00 105.19 105.08 1nlf n GLY 105 Ca -0.01 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.76 2.34 -0.13 0.99 2.96 0.01 0.20 118.68 124.29 1nlf s LEU 106 Ca 0.09 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1nlf s LEU 106 Cb 0.07 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.27 1nlf s LEU 106 CO 0.11 0.18 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.92 1nlf s LEU 107 N 0.21 2.36 -0.25 -0.68 2.96 0.50 -4.79 118.68 119.00 1nlf s LEU 107 Ca -0.12 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1nlf s LEU 107 Cb -0.16 -1.51 0.05 0.00 0.50 0.00 0.00 46.19 45.07 1nlf s LEU 107 CO 0.07 0.13 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.48 1nlf s ILE 108 N 0.57 2.26 -0.34 6.68 1.01 -1.26 0.01 121.20 130.13 1nlf s ILE 108 Ca -0.11 -1.46 -0.02 0.00 0.00 0.00 0.00 60.65 59.06 1nlf s ILE 108 Cb -0.16 -2.26 0.07 0.00 0.01 0.00 0.00 42.46 40.12 1nlf s ILE 108 CO 0.04 0.07 0.07 -1.58 0.00 0.00 0.00 174.94 173.54 1nlf s GLN 109 N 1.16 2.22 0.31 2.79 2.00 -0.73 -4.99 119.66 122.41 1nlf s GLN 109 Ca -0.06 -1.49 -0.29 0.00 -2.00 0.00 0.00 55.36 51.52 1nlf s GLN 109 Cb -0.19 -3.31 -0.10 0.00 0.80 0.00 0.00 33.01 30.21 1nlf s GLN 109 CO -0.06 -0.79 1.39 -2.14 -0.50 0.00 0.00 175.29 173.20 1nlf s PRO 110 N 1.19 4.28 -0.05 1.67 0.02 -1.26 -3.85 135.00 136.99 1nlf s PRO 110 Ca 0.00 2.32 0.07 0.00 0.02 0.00 0.00 61.00 63.41 1nlf s PRO 110 Cb -0.21 -3.07 0.11 0.00 0.02 0.00 0.00 34.50 31.36 1nlf s PRO 110 CO -0.03 -0.34 0.99 1.28 -0.33 0.00 0.00 177.00 178.57 1nlf n LEU 111 N 1.36 1.21 -4.71 -5.54 4.77 -0.22 -4.97 117.00 108.91 1nlf n LEU 111 Ca 0.03 -1.83 -0.42 0.00 -0.03 0.00 0.00 56.01 53.76 1nlf n LEU 111 Cb 0.41 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1nlf n LEU 111 CO 0.61 0.43 1.37 -0.51 -1.33 0.00 0.00 177.39 177.96 1nlf s ILE 112 N -1.26 2.42 0.00 -0.08 2.07 -1.25 -1.19 121.20 121.92 1nlf s ILE 112 Ca 0.12 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1nlf s ILE 112 Cb 0.11 -3.11 0.00 0.00 0.13 0.00 0.00 42.46 39.59 1nlf s ILE 112 CO 0.01 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1nlf n GLY 113 N 4.02 0.90 0.11 1.50 0.00 -1.26 -4.87 105.19 105.59 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 -6.04 1.61 0.02 -1.52 -3.48 113.55 104.13 1nlf h SER 114 Ca 0.00 -0.04 -0.38 0.00 -0.84 0.00 0.00 61.79 60.53 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 0.02 -0.90 0.18 -1.14 0.00 0.00 176.83 174.99 1nlf n LEU 115 N -2.33 -3.53 -4.76 5.07 4.77 -1.26 -4.94 117.00 110.02 1nlf n LEU 115 Ca 0.05 -0.93 -0.41 0.00 -0.03 0.00 0.00 56.01 54.69 1nlf n LEU 115 Cb 0.45 -2.58 -0.03 0.00 -2.33 0.00 0.00 43.42 38.92 1nlf n LEU 115 CO 0.32 0.36 0.90 -2.84 -1.33 0.00 0.00 177.39 174.80 1nlf s PRO 116 N -5.55 4.48 -0.27 3.23 0.02 -1.25 -5.01 135.00 130.65 1nlf s PRO 116 Ca 0.46 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 63.45 1nlf s PRO 116 Cb -0.14 -3.15 0.09 0.00 0.02 0.00 0.00 34.50 31.32 1nlf s PRO 116 CO 0.83 -0.03 0.10 1.21 -0.33 0.00 0.00 177.00 178.78 1nlf s ASN 117 N -0.47 3.48 0.54 2.53 2.47 -1.26 -3.68 114.94 118.56 1nlf s ASN 117 Ca 0.49 -1.26 0.36 0.00 0.42 0.00 0.00 52.86 52.87 1nlf s ASN 117 Cb -0.36 -0.55 1.87 0.00 -1.45 0.00 0.00 41.25 40.77 1nlf s ASN 117 CO 0.45 -0.40 2.10 -0.29 -3.72 0.00 0.00 177.10 175.24 1nlf h ILE 118 N 6.45 0.00 -0.00 -5.21 2.10 -1.39 -0.02 117.51 119.45 1nlf h ILE 118 Ca -0.17 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.67 1nlf h ILE 118 Cb 1.04 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1nlf h ILE 118 CO 0.42 0.00 -0.06 0.23 -1.08 0.00 0.00 178.15 177.66 1nlf n MET 119 N -2.84 0.45 -3.65 2.19 2.81 -1.26 -4.20 117.12 110.63 1nlf n MET 119 Ca -0.02 -0.08 -0.36 0.00 -1.81 0.00 0.00 57.70 55.43 1nlf n MET 119 Cb 0.11 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.05 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 -2.61 3.68 0.25 3.04 0.00 -0.02 -5.00 121.76 121.11 1nlf s ALA 120 Ca 0.26 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 1nlf s ALA 120 Cb 0.20 -2.25 0.52 0.00 0.00 0.00 0.00 23.12 21.58 1nlf s ALA 120 CO 0.48 0.25 1.69 -1.35 0.00 0.00 0.00 175.76 176.83 1nlf h PRO 121 N 6.16 0.30 -0.61 0.00 0.11 -1.85 -0.99 132.00 135.11 1nlf h PRO 121 Ca -0.45 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1nlf h PRO 121 Cb 1.18 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 1nlf h PRO 121 CO 0.71 0.20 0.29 0.93 -0.21 0.00 0.00 178.00 179.91 1nlf h GLU 122 N 0.31 0.50 0.15 1.05 3.07 -1.94 -0.72 114.58 117.00 1nlf h GLU 122 Ca 0.45 -0.03 -0.29 0.00 -0.50 0.00 0.00 59.36 58.99 1nlf h GLU 122 Cb 0.78 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1nlf h GLU 122 CO -0.51 0.33 -1.32 -1.49 -1.40 0.00 0.00 179.01 174.63 1nlf h TRP 123 N 0.52 0.59 -0.50 4.33 4.06 -1.56 -2.49 115.95 120.90 1nlf h TRP 123 Ca 0.29 -0.43 -0.02 0.00 2.06 0.00 0.00 58.89 60.79 1nlf h TRP 123 Cb 0.28 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 1nlf h TRP 123 CO -0.12 1.35 0.22 0.35 -3.56 0.00 0.00 178.44 176.67 1nlf h PHE 124 N 0.09 0.74 -0.24 0.49 3.57 -1.05 0.25 116.94 120.78 1nlf h PHE 124 Ca -0.17 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1nlf h PHE 124 Cb 2.02 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1nlf h PHE 124 CO 0.08 0.60 0.14 0.22 -2.23 0.00 0.00 178.31 177.13 1nlf h ASP 125 N 0.66 0.29 -0.41 0.41 1.82 -1.21 -0.66 116.42 117.34 1nlf h ASP 125 Ca 0.17 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1nlf h ASP 125 Cb 0.16 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 1nlf h ASP 125 CO -0.02 0.26 0.14 1.23 -1.61 0.00 0.00 179.24 179.24 1nlf h GLY 126 N 0.30 0.67 1.04 -0.78 0.00 -1.25 -0.89 103.07 102.16 1nlf h GLY 126 Ca 0.09 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1nlf h GLY 126 CO -0.02 0.36 0.15 1.41 0.00 0.00 0.00 176.54 178.45 1nlf h LEU 127 N 0.51 0.98 -0.64 3.11 3.38 -0.86 -0.16 115.31 121.63 1nlf h LEU 127 Ca 0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1nlf h LEU 127 Cb 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1nlf h LEU 127 CO -0.01 0.96 0.24 0.50 0.09 0.00 0.00 178.44 180.22 1nlf h LYS 128 N 0.95 0.96 -0.39 1.13 3.64 -0.95 -1.15 116.57 120.77 1nlf h LYS 128 Ca 0.20 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1nlf h LYS 128 Cb 0.37 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1nlf h LYS 128 CO 0.00 0.82 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.89 1nlf h ARG 129 N 0.90 0.63 0.00 1.90 9.65 -0.81 -1.97 114.38 124.68 1nlf h ARG 129 Ca 0.21 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1nlf h ARG 129 Cb 0.23 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1nlf h ARG 129 CO -0.01 0.66 0.00 0.00 2.80 0.00 0.00 179.97 183.42 1nlf h ALA 130 N 1.39 1.00 0.00 2.80 0.00 -0.48 -3.01 119.26 120.96 1nlf h ALA 130 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1nlf h ALA 130 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nlf h ALA 130 CO 0.02 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.43 1nlf h ALA 131 N 2.11 0.63 -2.76 0.00 0.00 -0.46 -3.45 119.26 115.34 1nlf h ALA 131 Ca 0.00 -0.14 -0.53 0.00 0.00 0.00 0.00 54.91 54.25 1nlf h ALA 131 Cb 0.61 0.03 0.08 0.00 0.00 0.00 0.00 17.79 18.51 1nlf h ALA 131 CO 0.00 0.16 0.94 -1.21 0.00 0.00 0.00 179.25 179.13 1nlf s GLU 132 N -3.25 4.11 0.00 0.00 2.02 -1.04 -1.65 118.70 118.89 1nlf s GLU 132 Ca 0.01 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.60 1nlf s GLU 132 Cb 0.08 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1nlf s GLU 132 CO 0.77 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1nlf n GLY 133 N 2.79 1.10 3.80 -1.39 0.00 -1.26 -5.01 105.19 105.22 1nlf n GLY 133 Ca 0.11 0.00 -0.22 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 -0.10 2.83 -0.18 1.61 0.52 -0.66 -4.66 118.95 118.32 1nlf s ARG 134 Ca 0.00 -1.11 0.18 0.00 -0.52 0.00 0.00 55.73 54.28 1nlf s ARG 134 Cb 0.00 -2.50 -0.25 0.00 0.52 0.00 0.00 34.95 32.71 1nlf s ARG 134 CO 0.00 0.39 0.13 -2.13 0.02 0.00 0.00 175.30 173.71 1nlf n ARG 135 N -1.14 0.68 -3.79 3.54 0.63 -0.13 -3.61 116.66 112.83 1nlf n ARG 135 Ca -0.07 -0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.73 1nlf n ARG 135 Cb 0.58 -1.54 -0.12 0.00 0.45 0.00 0.00 32.46 31.84 1nlf n ARG 135 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1nlf s LEU 136 N -5.46 1.08 -0.10 6.15 2.96 -1.18 -1.06 118.68 121.08 1nlf s LEU 136 Ca -0.10 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1nlf s LEU 136 Cb 0.07 0.79 0.01 0.00 0.50 0.00 0.00 46.19 47.56 1nlf s LEU 136 CO 0.83 -0.08 -0.15 -0.32 -1.32 0.00 0.00 176.35 175.31 1nlf s MET 137 N 0.18 2.10 -0.18 1.98 -2.45 -0.06 -1.54 119.30 119.32 1nlf s MET 137 Ca -0.00 -0.53 -0.02 0.00 -1.25 0.00 0.00 55.69 53.89 1nlf s MET 137 Cb -0.02 -1.77 -0.00 0.00 1.25 0.00 0.00 34.83 34.29 1nlf s MET 137 CO -0.00 -0.03 -0.10 0.08 1.05 0.00 0.00 175.02 176.01 1nlf s VAL 138 N 0.88 2.98 -0.24 10.11 1.01 -0.61 -1.46 120.40 133.08 1nlf s VAL 138 Ca -0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1nlf s VAL 138 Cb -0.15 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1nlf s VAL 138 CO 0.00 0.48 0.08 -0.76 0.00 0.00 0.00 175.10 174.91 1nlf s LEU 139 N 1.10 3.59 -0.32 3.92 1.43 -0.58 -0.68 118.68 127.14 1nlf s LEU 139 Ca 0.00 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1nlf s LEU 139 Cb -0.15 -1.95 0.10 0.00 0.03 0.00 0.00 46.19 44.22 1nlf s LEU 139 CO -0.03 0.01 0.10 -0.62 0.23 0.00 0.00 176.35 176.04 1nlf s ASP 140 N 1.37 4.07 0.41 2.29 2.15 -0.89 -0.57 116.67 125.50 1nlf s ASP 140 Ca 0.05 -1.71 0.07 0.00 0.43 0.00 0.00 52.55 51.40 1nlf s ASP 140 Cb -0.15 -0.92 -0.06 0.00 -0.30 0.00 0.00 42.92 41.50 1nlf s ASP 140 CO 0.04 -0.41 0.15 0.42 -0.17 0.00 0.00 175.17 175.20 1nlf s THR 141 N 1.53 2.23 0.31 1.71 -4.23 -1.26 -0.76 115.64 115.16 1nlf s THR 141 Ca 0.10 -1.76 0.07 0.00 -1.18 0.00 0.00 61.69 58.92 1nlf s THR 141 Cb -0.18 -2.98 0.31 0.00 1.34 0.00 0.00 72.50 70.99 1nlf s THR 141 CO -0.23 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 175.77 1nlf h LEU 142 N 1.49 0.29 -1.76 4.79 5.85 -1.36 -1.20 115.31 123.41 1nlf h LEU 142 Ca -0.43 0.18 0.29 0.00 0.84 0.00 0.00 57.88 58.76 1nlf h LEU 142 Cb 1.25 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 1nlf h LEU 142 CO 0.72 -0.09 0.73 -0.09 -0.34 0.00 0.00 178.44 179.36 1nlf h ARG 143 N 0.32 0.15 -0.23 1.25 9.65 -1.91 0.62 114.38 124.23 1nlf h ARG 143 Ca 0.62 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.49 1nlf h ARG 143 Cb 1.28 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1nlf h ARG 143 CO -0.60 0.10 0.00 0.54 2.80 0.00 0.00 179.97 182.81 1nlf n ARG 144 N -4.37 1.72 -0.11 0.20 5.12 -0.45 -3.87 116.66 114.90 1nlf n ARG 144 Ca 0.23 -1.10 0.03 0.00 -1.93 0.00 0.00 57.85 55.09 1nlf n ARG 144 Cb 1.02 -1.33 0.09 0.00 -1.16 0.00 0.00 32.46 31.08 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 0.35 0.28 -3.61 -1.55 3.01 0.21 -3.81 117.46 112.33 1nlf n PHE 145 Ca 0.14 -0.52 -0.10 0.00 1.01 0.00 0.00 57.45 57.97 1nlf n PHE 145 Cb 0.30 -0.05 -0.03 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.10 -0.30 -0.16 1.38 -3.43 -1.24 -0.94 115.29 109.50 1nlf s HIS 146 Ca 0.15 -0.00 0.15 0.00 -0.80 0.00 0.00 55.06 54.55 1nlf s HIS 146 Cb 0.08 0.46 0.34 0.00 -1.43 0.00 0.00 32.58 32.04 1nlf s HIS 146 CO 0.09 -0.89 1.18 0.44 -2.00 0.00 0.00 174.74 173.56 1nlf n ILE 147 N -0.35 1.91 -2.63 -5.38 -5.35 -1.26 -4.92 119.36 101.38 1nlf n ILE 147 Ca -0.13 -2.59 -0.23 0.00 -0.27 0.00 0.00 62.75 59.53 1nlf n ILE 147 Cb 0.63 -0.17 0.10 0.00 -1.74 0.00 0.00 39.64 38.46 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 -2.85 1.76 -0.32 6.28 0.41 -1.26 -5.05 118.70 117.67 1nlf s GLU 148 Ca 0.34 -1.15 -0.21 0.00 -0.41 0.00 0.00 54.97 53.54 1nlf s GLU 148 Cb 0.31 -2.36 -0.00 0.00 -1.78 0.00 0.00 34.13 30.29 1nlf s GLU 148 CO -0.02 -1.37 0.65 -2.00 -0.49 0.00 0.00 175.26 172.02 1nlf s GLU 149 N -5.09 3.84 0.00 1.61 2.56 -1.26 -4.92 118.70 115.44 1nlf s GLU 149 Ca 0.66 0.25 0.10 0.00 0.00 0.00 0.00 54.97 55.97 1nlf s GLU 149 Cb -0.05 -3.75 0.57 0.00 2.00 0.00 0.00 34.13 32.89 1nlf s GLU 149 CO 0.44 -0.63 1.08 0.39 -0.56 0.00 0.00 175.26 175.97 1nlf n GLU 150 N 5.97 0.27 0.00 4.30 1.02 -1.26 -1.33 120.64 129.60 1nlf n GLU 150 Ca -0.01 0.05 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 1nlf n GLU 150 Cb 0.49 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 1nlf n GLU 150 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nlf n ASN 151 N -1.07 1.24 -4.52 1.62 3.02 -1.26 -4.56 115.26 109.73 1nlf n ASN 151 Ca 0.07 -1.09 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 1nlf n ASN 151 Cb 0.05 0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 39.96 1nlf n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nlf s ALA 152 N -2.86 3.40 0.37 5.41 0.00 -0.44 -4.88 121.76 122.76 1nlf s ALA 152 Ca 0.11 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 50.85 1nlf s ALA 152 Cb 0.17 -3.15 0.73 0.00 0.00 0.00 0.00 23.12 20.86 1nlf s ALA 152 CO 0.78 -1.59 2.02 0.66 0.00 0.00 0.00 175.76 177.64 1nlf h SER 153 N 8.73 0.63 0.67 0.00 4.64 -1.88 -1.98 113.55 124.35 1nlf h SER 153 Ca -0.26 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 1nlf h SER 153 Cb 1.11 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1nlf h SER 153 CO 0.83 0.45 -0.32 1.23 -0.87 0.00 0.00 176.83 178.15 1nlf h GLY 154 N 0.74 -0.94 0.67 -0.77 0.00 -1.96 -1.01 103.07 99.80 1nlf h GLY 154 Ca 0.21 0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.98 1nlf h GLY 154 CO -0.05 -0.34 0.61 -2.55 0.00 0.00 0.00 176.54 174.21 1nlf h PRO 155 N -1.19 0.95 -0.00 4.80 0.11 -1.90 -1.66 132.00 133.11 1nlf h PRO 155 Ca -0.09 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.84 1nlf h PRO 155 Cb 0.69 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1nlf h PRO 155 CO 0.15 0.63 -0.56 0.52 -0.21 0.00 0.00 178.00 178.53 1nlf h MET 156 N 0.98 0.01 -0.05 1.05 2.86 -1.38 -1.35 114.93 117.07 1nlf h MET 156 Ca 0.44 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 58.00 1nlf h MET 156 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1nlf h MET 156 CO -0.20 0.57 -0.28 0.00 1.06 0.00 0.00 176.91 178.07 1nlf h ALA 157 N 1.43 1.46 -0.02 6.32 0.00 -0.24 0.24 119.26 128.45 1nlf h ALA 157 Ca -0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1nlf h ALA 157 Cb 0.99 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1nlf h ALA 157 CO 0.07 0.40 -0.53 1.96 0.00 0.00 0.00 179.25 181.15 1nlf h GLN 158 N 0.07 0.40 -0.14 0.00 4.20 -0.99 -0.30 115.11 118.35 1nlf h GLN 158 Ca 0.01 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 1nlf h GLN 158 Cb 0.53 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1nlf h GLN 158 CO 0.04 1.06 0.08 0.28 -0.67 0.00 0.00 178.83 179.62 1nlf h VAL 159 N -0.11 1.09 -0.27 -0.54 2.07 -0.97 -1.26 116.25 116.26 1nlf h VAL 159 Ca -0.06 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 1nlf h VAL 159 Cb 1.23 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1nlf h VAL 159 CO 0.11 0.08 -0.40 0.40 0.02 0.00 0.00 177.57 177.78 1nlf h ILE 160 N 0.14 1.29 -0.57 4.57 2.04 -1.05 -2.92 117.51 121.01 1nlf h ILE 160 Ca 0.05 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1nlf h ILE 160 Cb 0.06 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1nlf h ILE 160 CO -0.01 0.50 0.36 1.23 0.00 0.00 0.00 178.15 180.23 1nlf h GLY 161 N 1.00 0.81 1.81 5.37 0.00 -0.78 -1.04 103.07 110.24 1nlf h GLY 161 Ca 0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1nlf h GLY 161 CO 0.08 0.31 -0.40 3.21 0.00 0.00 0.00 176.54 179.74 1nlf h ARG 162 N 0.78 0.22 -0.24 4.80 3.08 -1.05 -0.72 114.38 121.25 1nlf h ARG 162 Ca 0.21 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 1nlf h ARG 162 Cb -0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1nlf h ARG 162 CO -0.04 0.59 -0.42 0.52 -1.07 0.00 0.00 179.97 179.55 1nlf h MET 163 N 0.18 0.58 -0.46 0.04 2.86 -1.15 -1.84 114.93 115.14 1nlf h MET 163 Ca 0.02 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 1nlf h MET 163 Cb 0.79 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1nlf h MET 163 CO 0.06 0.90 -0.04 0.93 1.06 0.00 0.00 176.91 179.82 1nlf h GLU 164 N 0.48 0.79 -0.20 1.72 5.08 -0.78 -1.41 114.58 120.26 1nlf h GLU 164 Ca 0.04 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1nlf h GLU 164 Cb 0.93 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1nlf h GLU 164 CO 0.08 0.82 0.09 0.00 -1.00 0.00 0.00 179.01 179.00 1nlf h ALA 165 N 1.23 0.26 -0.16 3.43 0.00 -0.83 0.38 119.26 123.56 1nlf h ALA 165 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nlf h ALA 165 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1nlf h ALA 165 CO 0.03 -0.17 0.09 0.82 0.00 0.00 0.00 179.25 180.02 1nlf h ILE 166 N 0.18 1.08 -0.42 0.00 2.04 -1.12 -1.45 117.51 117.82 1nlf h ILE 166 Ca 0.07 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1nlf h ILE 166 Cb 0.14 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1nlf h ILE 166 CO -0.01 0.08 0.20 0.00 0.00 0.00 0.00 178.15 178.41 1nlf h ALA 167 N 1.01 0.55 -0.43 1.87 0.00 -1.14 -1.07 119.26 120.04 1nlf h ALA 167 Ca 0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1nlf h ALA 167 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nlf h ALA 167 CO -0.01 0.12 -0.19 0.00 0.00 0.00 0.00 179.25 179.17 1nlf h ALA 168 N 1.04 0.86 0.05 0.00 0.00 -0.87 0.20 119.26 120.54 1nlf h ALA 168 Ca 0.14 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1nlf h ALA 168 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nlf h ALA 168 CO -0.02 0.64 -1.05 0.22 0.00 0.00 0.00 179.25 179.04 1nlf h ASP 169 N 0.73 0.24 0.00 0.00 3.58 -1.17 -3.35 116.42 116.44 1nlf h ASP 169 Ca 0.11 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1nlf h ASP 169 Cb 0.71 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1nlf h ASP 169 CO 0.05 1.13 -1.81 0.35 -2.88 0.00 0.00 179.24 176.08 1nlf n THR 170 N -3.52 0.00 0.00 2.25 -2.24 -0.41 -4.97 114.28 105.39 1nlf n THR 170 Ca -0.04 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1nlf n THR 170 Cb 0.93 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.34 2.15 3.66 3.38 0.00 0.69 -4.61 105.19 111.79 1nlf n GLY 171 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 5.25 -0.06 0.00 0.01 -0.22 -4.01 113.70 115.95 1nlf s SER 173 Ca 0.46 1.95 0.01 0.00 1.31 0.00 0.00 55.95 59.68 1nlf s SER 173 Cb -0.16 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.54 1nlf s SER 173 CO 0.08 -1.53 -0.08 -0.63 0.41 0.00 0.00 173.24 171.49 1nlf s ILE 174 N -2.39 0.87 -0.12 1.44 1.01 -0.83 -0.88 121.20 120.31 1nlf s ILE 174 Ca 0.66 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1nlf s ILE 174 Cb -0.19 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.45 1nlf s ILE 174 CO 0.41 0.30 -0.16 -0.69 0.00 0.00 0.00 174.94 174.80 1nlf s VAL 175 N 0.93 1.58 0.10 2.92 1.01 -0.54 -0.45 120.40 125.95 1nlf s VAL 175 Ca -0.10 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1nlf s VAL 175 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1nlf s VAL 175 CO 0.01 0.46 -0.04 0.72 0.00 0.00 0.00 175.10 176.25 1nlf s PHE 176 N 0.99 2.90 0.11 5.22 -0.12 -0.62 -1.53 117.98 124.94 1nlf s PHE 176 Ca -0.06 -0.07 -0.05 0.00 -0.05 0.00 0.00 56.93 56.70 1nlf s PHE 176 Cb -0.15 -1.50 -0.05 0.00 -0.63 0.00 0.00 43.02 40.69 1nlf s PHE 176 CO -0.02 0.46 0.34 -0.51 -0.05 0.00 0.00 175.22 175.44 1nlf s LEU 177 N -2.27 4.30 -0.06 -1.99 1.43 0.27 -1.51 118.68 118.84 1nlf s LEU 177 Ca 0.24 0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1nlf s LEU 177 Cb -0.11 -3.15 0.04 0.00 0.03 0.00 0.00 46.19 42.99 1nlf s LEU 177 CO 0.17 0.10 0.12 -2.28 0.23 0.00 0.00 176.35 174.69 1nlf s HIS 178 N -1.57 -0.11 -0.10 0.29 2.46 -0.35 -1.31 115.29 114.60 1nlf s HIS 178 Ca 0.38 0.43 -0.27 0.00 0.47 0.00 0.00 55.06 56.07 1nlf s HIS 178 Cb -0.13 -0.19 -0.02 0.00 -0.13 0.00 0.00 32.58 32.11 1nlf s HIS 178 CO 0.23 -0.18 0.87 -1.01 -2.47 0.00 0.00 174.74 172.18 1nlf s HIS 179 N 1.53 3.53 0.00 3.88 3.76 -1.26 -2.39 115.29 124.34 1nlf s HIS 179 Ca -0.05 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 1nlf s HIS 179 Cb -0.12 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.55 1nlf s HIS 179 CO -0.05 -0.11 0.00 0.00 -0.85 0.00 0.00 174.74 173.73 1nlf n ALA 180 N 4.56 0.00 0.00 -1.40 0.00 -0.39 -4.92 120.51 118.36 1nlf n ALA 180 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1nlf n ALA 180 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1nlf n ALA 180 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1nlf n VAL 201 N 0.00 0.00 0.00 0.00 0.24 -1.26 -4.44 118.33 112.87 1nlf n VAL 201 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 1nlf n VAL 201 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1nlf n VAL 201 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1nlf h LEU 202 N 0.00 0.09 -1.73 1.34 4.07 -1.99 -2.95 115.31 114.14 1nlf h LEU 202 Ca 0.00 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 57.96 1nlf h LEU 202 Cb 0.00 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 1nlf h LEU 202 CO 0.00 0.12 0.30 1.62 -1.08 0.00 0.00 178.44 179.40 1nlf h VAL 203 N 0.05 0.95 0.00 1.22 3.04 -1.99 -0.71 116.25 118.81 1nlf h VAL 203 Ca 0.03 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.57 1nlf h VAL 203 Cb 0.05 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 29.92 1nlf h VAL 203 CO -0.00 0.06 -0.13 0.44 -1.01 0.00 0.00 177.57 176.92 1nlf h ASP 204 N 0.33 0.00 -0.14 3.17 3.45 -2.00 -1.96 116.42 119.28 1nlf h ASP 204 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1nlf h ASP 204 Cb 0.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.11 1nlf h ASP 204 CO -0.04 0.13 0.00 0.59 -1.57 0.00 0.00 179.24 178.35 1nlf n ASN 205 N -4.16 1.93 -4.47 6.45 5.03 -0.28 -4.89 115.26 114.87 1nlf n ASN 205 Ca -0.02 -1.70 -0.31 0.00 0.87 0.00 0.00 54.58 53.41 1nlf n ASN 205 Cb 0.21 -0.08 -0.13 0.00 -1.02 0.00 0.00 39.78 38.76 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 -1.84 2.95 -0.66 2.41 -1.09 -0.74 -5.03 121.20 117.21 1nlf s ILE 206 Ca 0.34 -1.00 0.21 0.00 -2.23 0.00 0.00 60.65 57.97 1nlf s ILE 206 Cb 0.19 -2.22 -0.27 0.00 -1.58 0.00 0.00 42.46 38.59 1nlf s ILE 206 CO 0.29 0.42 0.75 0.54 -1.23 0.00 0.00 174.94 175.71 1nlf n ARG 207 N 1.79 0.27 -4.32 2.79 1.74 -1.26 -4.88 116.66 112.78 1nlf n ARG 207 Ca -0.16 -0.07 -0.24 0.00 -0.77 0.00 0.00 57.85 56.61 1nlf n ARG 207 Cb 0.52 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.30 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 -3.16 1.25 -0.06 -1.55 -0.00 -1.26 -3.82 118.94 110.34 1nlf s TRP 208 Ca 0.02 -0.48 -0.03 0.00 -0.00 0.00 0.00 56.10 55.62 1nlf s TRP 208 Cb 0.15 -0.98 0.03 0.00 -0.00 0.00 0.00 33.47 32.67 1nlf s TRP 208 CO 0.88 -0.30 0.14 -1.14 -0.00 0.00 0.00 176.95 176.52 1nlf s GLN 209 N 0.97 0.10 0.35 5.86 0.74 -0.30 -1.72 119.66 125.66 1nlf s GLN 209 Ca -0.09 0.31 0.08 0.00 0.05 0.00 0.00 55.36 55.71 1nlf s GLN 209 Cb -0.15 -0.11 -0.07 0.00 1.10 0.00 0.00 33.01 33.78 1nlf s GLN 209 CO 0.00 -0.13 -0.05 -1.54 -0.55 0.00 0.00 175.29 173.03 1nlf s SER 210 N 0.87 3.45 0.17 6.67 1.04 0.11 -0.54 113.70 125.47 1nlf s SER 210 Ca -0.07 -1.25 -0.14 0.00 0.48 0.00 0.00 55.95 54.97 1nlf s SER 210 Cb -0.09 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.75 1nlf s SER 210 CO -0.04 -0.33 0.42 -0.72 0.98 0.00 0.00 173.24 173.55 1nlf s TYR 211 N -2.78 0.05 -0.03 5.02 -0.85 -0.45 -1.26 117.35 117.05 1nlf s TYR 211 Ca 0.33 -0.40 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 1nlf s TYR 211 Cb 0.05 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.60 1nlf s TYR 211 CO 0.16 -0.82 -0.18 -1.17 -1.52 0.00 0.00 175.55 172.02 1nlf s LEU 212 N -2.90 1.98 -0.13 -3.49 2.96 -0.95 -2.56 118.68 113.59 1nlf s LEU 212 Ca 0.11 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1nlf s LEU 212 Cb 0.01 -1.00 0.06 0.00 0.50 0.00 0.00 46.19 45.76 1nlf s LEU 212 CO -0.03 0.19 0.10 -0.55 -1.32 0.00 0.00 176.35 174.75 1nlf s SER 213 N -0.19 1.79 0.57 3.68 0.15 0.16 -4.60 113.70 115.26 1nlf s SER 213 Ca 0.01 -0.31 -0.20 0.00 0.70 0.00 0.00 55.95 56.15 1nlf s SER 213 Cb -0.10 -0.10 -0.05 0.00 -1.71 0.00 0.00 66.02 64.07 1nlf s SER 213 CO 0.01 -0.31 1.20 -1.20 1.20 0.00 0.00 173.24 174.13 1nlf n SER 214 N 5.29 1.87 -4.70 5.45 7.64 -1.26 -0.94 113.62 126.98 1nlf n SER 214 Ca -0.06 0.91 -0.42 0.00 1.01 0.00 0.00 58.87 60.31 1nlf n SER 214 Cb 0.49 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 1nlf n SER 214 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1nlf s MET 215 N -2.85 4.22 0.57 1.43 1.75 -0.51 -4.82 119.30 119.08 1nlf s MET 215 Ca 0.74 2.29 -0.06 0.00 -1.25 0.00 0.00 55.69 57.41 1nlf s MET 215 Cb -0.42 -3.48 -0.00 0.00 2.84 0.00 0.00 34.83 33.76 1nlf s MET 215 CO 0.48 -0.67 0.88 0.95 -0.65 0.00 0.00 175.02 176.00 1nlf s THR 216 N 2.22 3.89 0.32 10.11 -4.23 -1.26 -4.77 115.64 121.92 1nlf s THR 216 Ca 0.72 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1nlf s THR 216 Cb -0.40 -3.53 0.29 0.00 1.34 0.00 0.00 72.50 70.21 1nlf s THR 216 CO 0.31 -0.54 1.91 0.28 -0.54 0.00 0.00 174.62 176.05 1nlf h SER 217 N -0.09 0.82 -0.27 3.99 0.02 -1.98 0.21 113.55 116.25 1nlf h SER 217 Ca -0.46 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1nlf h SER 217 Cb 1.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1nlf h SER 217 CO 0.61 0.51 0.09 0.00 -1.14 0.00 0.00 176.83 176.90 1nlf h ALA 218 N 1.54 0.35 -0.18 3.77 0.00 -1.99 -2.41 119.26 120.36 1nlf h ALA 218 Ca 0.39 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1nlf h ALA 218 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nlf h ALA 218 CO -0.15 -0.02 -0.25 0.93 0.00 0.00 0.00 179.25 179.75 1nlf h GLU 219 N 0.28 0.32 -0.16 0.00 5.08 -1.68 -2.08 114.58 116.35 1nlf h GLU 219 Ca 0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nlf h GLU 219 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nlf h GLU 219 CO -0.00 0.56 0.10 0.00 -1.00 0.00 0.00 179.01 178.67 1nlf h ALA 220 N 1.45 0.20 -0.64 3.43 0.00 -0.33 -0.96 119.26 122.41 1nlf h ALA 220 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1nlf h ALA 220 Cb 0.60 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1nlf h ALA 220 CO 0.04 -0.32 0.27 0.93 0.00 0.00 0.00 179.25 180.18 1nlf h GLU 221 N 0.21 0.95 0.00 0.00 5.08 -1.23 0.19 114.58 119.78 1nlf h GLU 221 Ca 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1nlf h GLU 221 Cb -0.02 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1nlf h GLU 221 CO -0.01 0.79 -0.05 1.49 -1.00 0.00 0.00 179.01 180.22 1nlf h GLU 222 N 0.90 0.00 -0.24 2.33 4.57 -0.89 -2.73 114.58 118.51 1nlf h GLU 222 Ca 0.22 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1nlf h GLU 222 Cb 0.18 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1nlf h GLU 222 CO -0.02 0.05 -0.01 0.91 -1.18 0.00 0.00 179.01 178.76 1nlf n TRP 223 N -4.19 0.85 -2.82 0.92 7.02 -0.41 -1.52 117.44 117.29 1nlf n TRP 223 Ca -0.03 -1.01 -0.22 0.00 -1.02 0.00 0.00 57.50 55.22 1nlf n TRP 223 Cb 0.13 -0.32 0.02 0.00 -2.42 0.00 0.00 31.31 28.72 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 -0.74 -0.51 3.40 6.99 0.00 -0.91 -4.31 105.19 109.11 1nlf n GLY 224 Ca 0.23 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.14 3.82 0.58 1.61 1.01 0.64 -5.02 120.40 119.89 1nlf s VAL 225 Ca 0.21 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 1nlf s VAL 225 Cb -0.09 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1nlf s VAL 225 CO 0.26 0.40 1.10 1.51 0.00 0.00 0.00 175.10 178.37 1nlf s ASP 226 N 1.32 5.60 1.33 3.32 1.47 -1.26 -3.93 116.67 124.51 1nlf s ASP 226 Ca 0.04 2.03 -0.20 0.00 1.18 0.00 0.00 52.55 55.60 1nlf s ASP 226 Cb -0.15 -2.56 0.32 0.00 -0.34 0.00 0.00 42.92 40.19 1nlf s ASP 226 CO 0.01 -1.30 0.74 -0.67 0.68 0.00 0.00 175.17 174.63 1nlf n ASP 227 N -1.76 -3.64 0.00 2.11 2.03 -1.26 -2.12 116.55 111.91 1nlf n ASP 227 Ca 0.10 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1nlf n ASP 227 Cb 0.52 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1nlf n ASP 227 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1nlf n ASP 228 N -4.54 0.00 -0.00 1.67 9.92 -1.26 -4.47 116.55 117.87 1nlf n ASP 228 Ca 0.10 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.39 1nlf n ASP 228 Cb 0.53 -0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 1nlf n ASP 228 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nlf n GLN 229 N -1.21 3.30 0.22 -1.24 1.13 -0.90 -4.60 117.38 114.08 1nlf n GLN 229 Ca 0.00 -0.02 0.15 0.00 -1.94 0.00 0.00 57.00 55.19 1nlf n GLN 229 Cb 0.00 -0.91 0.76 0.00 0.11 0.00 0.00 30.24 30.20 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 -1.77 -1.67 114.38 109.96 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 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1nlf h ARG 230 CO 0.00 0.00 0.00 0.07 0.10 0.00 0.00 179.97 180.14 1nlf h ARG 231 N 0.00 0.00 -0.43 0.08 0.11 -1.86 -2.31 114.38 109.97 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 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1nlf h ARG 231 CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 1nlf n PHE 232 N -2.61 0.56 -4.60 4.08 3.01 -0.63 -4.93 117.46 112.35 1nlf n PHE 232 Ca -0.01 -0.28 -0.23 0.00 1.01 0.00 0.00 57.45 57.94 1nlf n PHE 232 Cb 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.44 1.44 -0.04 1.38 0.40 -0.87 0.31 117.98 119.16 1nlf s PHE 233 Ca 0.38 -0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 56.34 1nlf s PHE 233 Cb 0.21 -0.89 0.01 0.00 0.51 0.00 0.00 43.02 42.86 1nlf s PHE 233 CO 0.29 0.02 0.15 0.54 0.70 0.00 0.00 175.22 176.92 1nlf s VAL 234 N -0.61 0.02 0.02 -0.44 0.11 -0.58 -1.43 120.40 117.50 1nlf s VAL 234 Ca 0.05 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1nlf s VAL 234 Cb -0.07 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1nlf s VAL 234 CO 0.00 -0.10 0.06 0.00 -3.33 0.00 0.00 175.10 171.73 1nlf s ARG 235 N -0.29 2.92 -0.02 1.54 1.70 -0.11 -0.75 118.95 123.94 1nlf s ARG 235 Ca -0.04 -0.59 0.05 0.00 -0.47 0.00 0.00 55.73 54.68 1nlf s ARG 235 Cb -0.03 -2.76 -0.01 0.00 -0.57 0.00 0.00 34.95 31.58 1nlf s ARG 235 CO 0.00 0.61 -0.16 0.12 -1.08 0.00 0.00 175.30 174.80 1nlf s PHE 236 N -1.22 1.48 0.31 5.89 5.36 0.79 -0.66 117.98 129.92 1nlf s PHE 236 Ca 0.24 -0.32 -0.19 0.00 -0.96 0.00 0.00 56.93 55.70 1nlf s PHE 236 Cb -0.12 -0.97 0.03 0.00 -0.34 0.00 0.00 43.02 41.62 1nlf s PHE 236 CO 0.15 -0.06 0.74 0.20 -1.46 0.00 0.00 175.22 174.79 1nlf s GLY 237 N -0.25 0.05 -0.35 13.12 0.00 -1.06 0.03 107.32 118.86 1nlf s GLY 237 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 1nlf s GLY 237 CO 0.00 -0.16 0.19 0.14 0.00 0.00 0.00 173.10 173.28 1nlf s VAL 238 N -3.46 4.64 -0.27 1.40 1.01 -1.26 -1.34 120.40 121.11 1nlf s VAL 238 Ca 0.12 -0.67 0.22 0.00 0.00 0.00 0.00 61.98 61.66 1nlf s VAL 238 Cb -0.06 -3.50 0.07 0.00 0.00 0.00 0.00 36.38 32.89 1nlf s VAL 238 CO 0.08 -0.12 1.16 0.77 0.00 0.00 0.00 175.10 177.00 1nlf h SER 239 N 8.41 0.00 -3.05 3.32 4.64 -1.14 -3.46 113.55 122.27 1nlf h SER 239 Ca -0.28 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.81 1nlf h SER 239 Cb 1.12 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.89 1nlf h SER 239 CO 0.65 0.04 -0.55 -0.75 -0.87 0.00 0.00 176.83 175.35 1nlf s LYS 240 N -3.30 0.13 -0.10 4.77 2.20 -0.86 -4.94 119.74 117.64 1nlf s LYS 240 Ca 0.01 0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 1nlf s LYS 240 Cb 0.08 -0.11 0.07 0.00 -1.51 0.00 0.00 37.83 36.36 1nlf s LYS 240 CO 0.76 -0.26 0.67 0.00 -0.36 0.00 0.00 175.35 176.16 1nlf s ALA 241 N 2.06 -1.71 -0.10 3.13 0.00 -1.25 -1.15 121.76 122.74 1nlf s ALA 241 Ca -0.01 1.43 0.12 0.00 0.00 0.00 0.00 51.96 53.50 1nlf s ALA 241 Cb -0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 23.12 22.55 1nlf s ALA 241 CO -0.08 -0.35 0.12 0.09 0.00 0.00 0.00 175.76 175.54 1nlf n ASN 242 N 1.37 1.75 -4.29 0.00 3.02 -1.26 -5.05 115.26 110.80 1nlf n ASN 242 Ca -0.18 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.21 1nlf n ASN 242 Cb 0.57 1.05 -0.10 0.00 -0.61 0.00 0.00 39.78 40.69 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 -2.50 1.43 0.00 3.10 2.02 -1.26 -5.11 117.35 115.02 1nlf s TYR 243 Ca -0.06 -0.71 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 1nlf s TYR 243 Cb 0.05 -0.71 0.00 0.00 -0.40 0.00 0.00 41.96 40.90 1nlf s TYR 243 CO 0.55 0.16 0.00 0.41 -1.57 0.00 0.00 175.55 175.10 1nlf n GLY 244 N -0.27 0.97 3.81 0.71 0.00 -1.26 -4.48 105.19 104.68 1nlf n GLY 244 Ca -0.09 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.28 2.83 0.29 4.61 0.00 -1.26 -4.97 121.76 120.98 1nlf s ALA 245 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 1nlf s ALA 245 Cb 0.00 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 1nlf s ALA 245 CO 0.00 -0.67 1.16 -2.30 0.00 0.00 0.00 175.76 173.95 1nlf n PRO 246 N -1.94 1.66 -3.88 0.00 -0.02 -1.26 -4.83 135.00 124.72 1nlf n PRO 246 Ca 0.08 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1nlf n PRO 246 Cb 0.53 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.84 3.06 0.28 6.00 5.36 -1.26 -5.09 117.98 125.48 1nlf s PHE 247 Ca 0.60 -1.19 -0.29 0.00 -0.96 0.00 0.00 56.93 55.09 1nlf s PHE 247 Cb -0.67 -2.13 -0.09 0.00 -0.34 0.00 0.00 43.02 39.78 1nlf s PHE 247 CO 0.58 -0.63 1.07 0.00 -1.46 0.00 0.00 175.22 174.79 1nlf s ALA 248 N 1.43 3.37 0.50 11.12 0.00 -1.26 -4.66 121.76 132.26 1nlf s ALA 248 Ca 0.03 0.83 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 1nlf s ALA 248 Cb -0.16 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1nlf s ALA 248 CO -0.02 -0.10 1.08 -0.25 0.00 0.00 0.00 175.76 176.47 1nlf n ASP 249 N 1.14 1.49 -4.22 0.00 10.43 -1.26 -4.92 116.55 119.21 1nlf n ASP 249 Ca -0.01 0.95 -0.27 0.00 2.57 0.00 0.00 54.79 58.04 1nlf n ASP 249 Cb 0.46 -1.42 -0.15 0.00 1.84 0.00 0.00 41.12 41.84 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 -2.43 1.59 -0.21 -1.24 0.52 0.10 -4.96 118.95 112.33 1nlf s ARG 250 Ca 0.68 -0.78 -0.10 0.00 -0.52 0.00 0.00 55.73 55.02 1nlf s ARG 250 Cb -0.48 -1.57 -0.05 0.00 0.52 0.00 0.00 34.95 33.37 1nlf s ARG 250 CO 0.52 0.42 0.12 -1.58 0.02 0.00 0.00 175.30 174.81 1nlf s TRP 251 N -0.55 3.36 0.05 -0.53 0.52 -1.26 -0.15 118.94 120.37 1nlf s TRP 251 Ca 0.08 0.25 0.09 0.00 0.02 0.00 0.00 56.10 56.54 1nlf s TRP 251 Cb -0.08 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.04 1nlf s TRP 251 CO -0.00 0.21 -0.25 -0.06 0.02 0.00 0.00 176.95 176.87 1nlf s PHE 252 N 0.52 2.36 -0.13 -1.98 2.99 0.07 -1.08 117.98 120.73 1nlf s PHE 252 Ca 0.07 -0.39 -0.07 0.00 0.00 0.00 0.00 56.93 56.55 1nlf s PHE 252 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 43.02 41.47 1nlf s PHE 252 CO -0.00 0.16 0.12 0.50 -0.00 0.00 0.00 175.22 176.00 1nlf s ARG 253 N -1.33 3.51 -0.45 0.44 3.52 0.45 -1.52 118.95 123.56 1nlf s ARG 253 Ca 0.12 -0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.32 1nlf s ARG 253 Cb -0.10 -3.17 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 1nlf s ARG 253 CO 0.03 0.68 0.75 1.03 -0.81 0.00 0.00 175.30 176.98 1nlf s ARG 254 N -0.77 3.36 0.50 5.12 0.52 0.15 -2.29 118.95 125.54 1nlf s ARG 254 Ca 0.13 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1nlf s ARG 254 Cb -0.12 -3.95 0.10 0.00 0.52 0.00 0.00 34.95 31.50 1nlf s ARG 254 CO 0.03 -1.11 0.68 0.72 0.02 0.00 0.00 175.30 175.64 1nlf n HIS 255 N 6.61 -3.28 -1.59 -0.53 8.25 0.74 -4.86 115.22 120.55 1nlf n HIS 255 Ca 0.01 -1.05 -0.47 0.00 -0.26 0.00 0.00 57.72 55.95 1nlf n HIS 255 Cb 0.48 -0.50 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.06 1.48 0.00 0.41 10.43 -1.26 -0.28 116.55 124.27 1nlf n ASP 256 Ca 0.11 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.62 1nlf n ASP 256 Cb 0.38 -1.27 0.00 0.00 1.84 0.00 0.00 41.12 42.07 1nlf n ASP 256 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nlf n GLY 257 N 1.71 0.62 1.56 0.44 0.00 -1.26 -3.25 105.19 105.02 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 -1.97 1.10 3.65 -0.02 0.00 0.61 -4.94 105.19 103.61 1nlf n GLY 258 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 0.35 -3.62 1.61 0.31 -1.20 -4.46 118.33 109.32 1nlf n VAL 259 Ca 0.00 -0.09 -0.37 0.00 -0.01 0.00 0.00 64.34 63.88 1nlf n VAL 259 Cb 0.00 -1.35 -0.07 0.00 -0.91 0.00 0.00 33.84 31.51 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 0.58 4.31 0.02 7.52 1.43 -1.26 -0.18 118.68 131.09 1nlf s LEU 260 Ca 0.76 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1nlf s LEU 260 Cb -0.73 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 1nlf s LEU 260 CO 0.44 0.21 0.04 -0.54 0.23 0.00 0.00 176.35 176.73 1nlf s LYS 261 N -0.13 0.42 0.06 1.70 1.02 -0.97 -4.68 119.74 117.16 1nlf s LYS 261 Ca 0.17 -0.59 -0.37 0.00 0.02 0.00 0.00 55.97 55.20 1nlf s LYS 261 Cb -0.13 0.16 -0.16 0.00 -0.52 0.00 0.00 37.83 37.18 1nlf s LYS 261 CO 0.05 -0.09 1.43 -2.30 -0.92 0.00 0.00 175.35 173.52 1nlf n PRO 262 N 1.37 1.33 -2.98 -1.68 -0.02 -1.26 -0.41 135.00 131.35 1nlf n PRO 262 Ca -0.22 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.38 1nlf n PRO 262 Cb 0.56 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 1nlf n PRO 262 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nlf s ALA 263 N 0.92 3.29 -0.65 3.55 0.00 -0.24 -4.63 121.76 124.00 1nlf s ALA 263 Ca 0.85 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 1nlf s ALA 263 Cb -0.91 -2.96 0.17 0.00 0.00 0.00 0.00 23.12 19.42 1nlf s ALA 263 CO 0.47 0.26 0.58 0.08 0.00 0.00 0.00 175.76 177.15 1nlf s VAL 264 N -1.72 5.12 0.13 0.00 1.01 -1.26 -4.93 120.40 118.75 1nlf s VAL 264 Ca 0.50 -2.04 0.09 0.00 0.00 0.00 0.00 61.98 60.52 1nlf s VAL 264 Cb -0.15 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1nlf s VAL 264 CO 0.20 -0.92 -0.20 -0.76 0.00 0.00 0.00 175.10 173.42 1nlf s LEU 265 N 0.87 2.35 -0.06 3.92 1.43 -1.26 -5.14 118.68 120.79 1nlf s LEU 265 Ca 0.10 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1nlf s LEU 265 Cb -0.21 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.13 1nlf s LEU 265 CO -0.03 0.03 -0.17 -1.61 0.23 0.00 0.00 176.35 174.81 1nlf s GLU 266 N -2.26 2.02 0.34 1.70 2.02 -1.26 -5.11 118.70 116.15 1nlf s GLU 266 Ca 0.11 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 1nlf s GLU 266 Cb -0.08 -1.65 -0.12 0.00 0.10 0.00 0.00 34.13 32.38 1nlf s GLU 266 CO 0.05 0.14 1.46 -2.13 0.02 0.00 0.00 175.26 174.80 1nlf n ARG 267 N 3.51 2.48 -2.79 1.61 3.00 -1.26 -4.19 116.66 119.02 1nlf n ARG 267 Ca -0.20 0.88 -0.43 0.00 -0.00 0.00 0.00 57.85 58.09 1nlf n ARG 267 Cb 0.52 -2.57 0.00 0.00 0.00 0.00 0.00 32.46 30.42 1nlf n ARG 267 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1nlf n GLN 268 N 1.01 3.84 -0.16 -0.14 1.13 -0.57 -4.87 117.38 117.61 1nlf n GLN 268 Ca 0.05 -4.04 -0.08 0.00 -1.94 0.00 0.00 57.00 50.99 1nlf n GLN 268 Cb 0.37 -2.76 -0.02 0.00 0.11 0.00 0.00 30.24 27.94 1nlf n GLN 268 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nlf h ARG 269 N 6.02 -0.23 -5.01 -1.09 -0.00 -1.90 -3.34 114.38 108.81 1nlf h ARG 269 Ca 0.29 0.02 -0.64 0.00 -0.50 0.00 0.00 59.98 59.15 1nlf h ARG 269 Cb 0.70 0.05 -0.16 0.00 0.00 0.00 0.00 29.97 30.56 1nlf h ARG 269 CO 1.38 -0.16 -0.39 0.15 0.00 0.00 0.00 179.97 180.96 1nlf s LYS 270 N -5.93 3.96 0.67 0.04 1.02 -1.26 -5.05 119.74 113.19 1nlf s LYS 270 Ca -0.15 -0.16 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 1nlf s LYS 270 Cb 0.14 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.76 1nlf s LYS 270 CO 0.67 -0.24 0.98 -1.13 -0.92 0.00 0.00 175.35 174.71 1nlf n SER 271 N 5.19 0.66 0.16 2.83 3.41 -1.26 -4.91 113.62 119.71 1nlf n SER 271 Ca -0.11 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 1nlf n SER 271 Cb 0.51 -1.41 0.28 0.00 -0.26 0.00 0.00 64.21 63.34 1nlf n SER 271 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nlf h LYS 272 N 0.09 0.00 0.00 4.33 1.57 -1.91 -3.48 116.57 117.17 1nlf h LYS 272 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1nlf h LYS 272 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1nlf h LYS 272 CO 0.49 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.78 1nlf n GLY 273 N 1.21 2.72 3.07 3.86 0.00 -1.26 -5.10 105.19 109.68 1nlf n GLY 273 Ca 0.05 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1nlf n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nlf s VAL 274 N 0.83 2.55 -0.70 1.61 -7.23 -1.26 -5.19 120.40 111.02 1nlf s VAL 274 Ca 0.00 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1nlf s VAL 274 Cb 0.00 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1nlf s VAL 274 CO 0.00 -0.48 0.17 -2.65 -0.31 0.00 0.00 175.10 171.84