#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 2.61 0.10 0.00 2.01 -1.26 -5.02 115.64 114.08 1nlf s THR 3 Ca 0.00 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.21 1nlf s THR 3 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 1nlf s THR 3 CO 0.00 0.58 -0.27 -1.00 -0.69 0.00 0.00 174.62 173.25 1nlf s HIS 4 N -0.61 2.29 0.37 4.92 0.09 -1.26 -5.06 115.29 116.04 1nlf s HIS 4 Ca 0.09 -0.39 -0.16 0.00 -0.00 0.00 0.00 55.06 54.60 1nlf s HIS 4 Cb -0.11 -1.28 -0.09 0.00 -0.00 0.00 0.00 32.58 31.10 1nlf s HIS 4 CO 0.00 0.27 0.81 0.15 -0.00 0.00 0.00 174.74 175.98 1nlf s LYS 5 N -1.80 4.04 0.67 1.40 -0.14 -1.26 -5.02 119.74 117.63 1nlf s LYS 5 Ca 0.13 0.79 -0.17 0.00 -1.36 0.00 0.00 55.97 55.36 1nlf s LYS 5 Cb -0.10 -2.34 0.00 0.00 -1.68 0.00 0.00 37.83 33.72 1nlf s LYS 5 CO 0.05 0.06 1.28 -2.14 -0.76 0.00 0.00 175.35 173.84 1nlf s PRO 6 N -3.19 2.39 0.20 -1.68 0.02 -1.26 -4.93 135.00 126.55 1nlf s PRO 6 Ca 0.56 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 1nlf s PRO 6 Cb -0.10 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1nlf s PRO 6 CO 0.18 -1.71 1.16 0.42 -0.33 0.00 0.00 177.00 176.73 1nlf s ILE 7 N -1.51 3.60 -0.65 2.83 -1.09 -1.26 -4.95 121.20 118.15 1nlf s ILE 7 Ca 0.81 1.39 -0.23 0.00 -2.23 0.00 0.00 60.65 60.39 1nlf s ILE 7 Cb -0.36 -3.89 0.06 0.00 -1.58 0.00 0.00 42.46 36.69 1nlf s ILE 7 CO 0.42 0.25 0.98 0.21 -1.23 0.00 0.00 174.94 175.57 1nlf s ASN 8 N -0.09 6.19 0.08 3.58 3.84 -1.26 -4.90 114.94 122.37 1nlf s ASN 8 Ca 0.51 -0.89 -0.22 0.00 0.21 0.00 0.00 52.86 52.46 1nlf s ASN 8 Cb -0.32 -2.43 -0.13 0.00 -0.55 0.00 0.00 41.25 37.82 1nlf s ASN 8 CO 0.37 -1.45 1.64 0.40 -2.79 0.00 0.00 177.10 175.28 1nlf h ILE 9 N 5.98 1.11 -0.86 -5.21 2.04 -2.00 -2.67 117.51 115.91 1nlf h ILE 9 Ca -0.28 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.30 1nlf h ILE 9 Cb 1.07 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1nlf h ILE 9 CO 1.18 0.10 0.54 0.25 0.00 0.00 0.00 178.15 180.22 1nlf h LEU 10 N 0.02 0.88 -0.84 1.44 5.85 -2.00 -1.47 115.31 119.19 1nlf h LEU 10 Ca 0.03 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1nlf h LEU 10 Cb 0.12 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1nlf h LEU 10 CO -0.00 0.59 0.13 -0.08 -0.34 0.00 0.00 178.44 178.73 1nlf h GLU 11 N 1.03 1.00 -0.46 1.25 4.81 -1.96 0.87 114.58 121.12 1nlf h GLU 11 Ca 0.36 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1nlf h GLU 11 Cb 0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1nlf h GLU 11 CO -0.14 0.90 -0.06 0.00 -0.73 0.00 0.00 179.01 178.98 1nlf h ALA 12 N 1.19 1.03 0.05 2.92 0.00 -1.03 -2.85 119.26 120.57 1nlf h ALA 12 Ca 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nlf h ALA 12 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1nlf h ALA 12 CO 0.00 0.59 -0.03 0.74 0.00 0.00 0.00 179.25 180.56 1nlf h PHE 13 N 0.73 -0.07 -0.57 0.00 0.05 -0.89 -3.36 116.94 112.83 1nlf h PHE 13 Ca 0.13 -0.00 0.12 0.00 3.82 0.00 0.00 57.97 62.04 1nlf h PHE 13 Cb 0.54 0.02 -0.10 0.00 2.00 0.00 0.00 35.95 38.41 1nlf h PHE 13 CO 0.03 0.38 -0.00 0.00 -0.18 0.00 0.00 178.31 178.54 1nlf h ALA 14 N 0.36 0.55 -2.90 2.45 0.00 -0.74 -3.44 119.26 115.55 1nlf h ALA 14 Ca -0.01 0.18 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 1nlf h ALA 14 Cb 0.48 0.30 -0.20 0.00 0.00 0.00 0.00 17.79 18.37 1nlf h ALA 14 CO 0.01 -0.39 -0.71 0.00 0.00 0.00 0.00 179.25 178.16 1nlf s ALA 15 N -6.16 0.46 0.15 0.00 0.00 -1.08 -5.10 121.76 110.02 1nlf s ALA 15 Ca -0.13 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 1nlf s ALA 15 Cb 0.18 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.32 1nlf s ALA 15 CO 0.73 -0.13 1.57 0.00 0.00 0.00 0.00 175.76 177.93 1nlf s ALA 16 N -1.93 3.75 0.91 0.00 0.00 -1.26 -4.67 121.76 118.56 1nlf s ALA 16 Ca -0.08 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 1nlf s ALA 16 Cb -0.06 -3.63 0.14 0.00 0.00 0.00 0.00 23.12 19.57 1nlf s ALA 16 CO -0.02 -0.82 1.09 -2.14 0.00 0.00 0.00 175.76 173.87 1nlf s PRO 17 N 1.39 1.11 0.84 0.00 0.02 -1.26 -4.98 135.00 132.12 1nlf s PRO 17 Ca 0.70 0.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.60 1nlf s PRO 17 Cb -0.43 -1.78 0.10 0.00 0.02 0.00 0.00 34.50 32.42 1nlf s PRO 17 CO 0.31 -2.39 1.15 -2.14 -0.33 0.00 0.00 177.00 173.60 1nlf s PRO 18 N -4.83 1.55 0.61 5.54 0.02 -1.26 -4.93 135.00 131.69 1nlf s PRO 18 Ca 0.64 1.53 -0.19 0.00 0.02 0.00 0.00 61.00 63.00 1nlf s PRO 18 Cb -0.19 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1nlf s PRO 18 CO 0.58 -2.24 1.28 -2.14 -0.33 0.00 0.00 177.00 174.15 1nlf s PRO 19 N -4.51 2.82 0.47 5.54 0.02 -1.26 -4.93 135.00 133.15 1nlf s PRO 19 Ca 0.68 2.02 -0.24 0.00 0.02 0.00 0.00 61.00 63.48 1nlf s PRO 19 Cb -0.23 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.25 1nlf s PRO 19 CO 0.54 -1.38 1.39 -0.51 -0.33 0.00 0.00 177.00 176.71 1nlf s LEU 20 N -4.07 4.06 -0.40 -5.54 1.02 -1.26 -4.98 118.68 107.51 1nlf s LEU 20 Ca 0.78 2.83 -0.16 0.00 0.02 0.00 0.00 54.13 57.61 1nlf s LEU 20 Cb -0.36 -4.02 0.01 0.00 0.02 0.00 0.00 46.19 41.84 1nlf s LEU 20 CO 0.39 -1.23 0.36 -0.62 0.02 0.00 0.00 176.35 175.27 1nlf s ASP 21 N -0.67 6.15 -0.23 2.29 2.15 -1.26 -5.06 116.67 120.04 1nlf s ASP 21 Ca 0.63 -0.70 -0.12 0.00 0.43 0.00 0.00 52.55 52.79 1nlf s ASP 21 Cb -0.42 -2.19 -0.05 0.00 -0.30 0.00 0.00 42.92 39.97 1nlf s ASP 21 CO 0.53 -0.47 0.24 -0.31 -0.17 0.00 0.00 175.17 174.98 1nlf s TYR 22 N 1.90 3.34 0.08 -5.34 1.51 -1.26 -0.05 117.35 117.53 1nlf s TYR 22 Ca 0.09 0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 56.46 1nlf s TYR 22 Cb -0.18 -2.35 -0.27 0.00 -0.11 0.00 0.00 41.96 39.06 1nlf s TYR 22 CO 0.12 0.05 1.16 -0.24 -1.11 0.00 0.00 175.55 175.52 1nlf h VAL 23 N 5.02 1.51 -4.35 0.71 3.04 -1.51 -3.42 116.25 117.25 1nlf h VAL 23 Ca -0.37 -3.04 -0.18 0.00 -1.01 0.00 0.00 66.70 62.09 1nlf h VAL 23 Cb 1.17 2.91 -0.14 0.00 -2.01 0.00 0.00 31.29 33.21 1nlf h VAL 23 CO 0.68 0.89 -0.56 -0.76 -1.01 0.00 0.00 177.57 176.80 1nlf s LEU 24 N -7.17 1.41 -0.19 3.16 1.43 -1.23 -4.80 118.68 111.30 1nlf s LEU 24 Ca -0.04 -1.19 -0.37 0.00 -1.03 0.00 0.00 54.13 51.51 1nlf s LEU 24 Cb 0.07 0.53 -0.13 0.00 0.03 0.00 0.00 46.19 46.69 1nlf s LEU 24 CO 0.88 -0.80 1.85 -2.65 0.23 0.00 0.00 176.35 175.86 1nlf n PRO 25 N -0.17 1.70 -0.60 1.29 -0.02 -1.26 -1.22 135.00 134.72 1nlf n PRO 25 Ca -0.04 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1nlf n PRO 25 Cb 0.64 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 6.38 0.00 -4.53 2.55 4.13 -1.26 -4.99 115.26 117.54 1nlf n ASN 26 Ca 0.25 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.14 1nlf n ASN 26 Cb 0.22 -0.71 -0.11 0.00 -1.54 0.00 0.00 39.78 37.64 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 -0.23 3.83 0.19 3.52 1.75 -0.36 -4.39 119.30 123.61 1nlf s MET 27 Ca 0.00 -0.39 -0.30 0.00 -1.25 0.00 0.00 55.69 53.75 1nlf s MET 27 Cb 0.00 -3.46 -0.08 0.00 2.84 0.00 0.00 34.83 34.13 1nlf s MET 27 CO 0.00 -0.13 1.10 0.08 -0.65 0.00 0.00 175.02 175.42 1nlf s VAL 28 N 1.53 3.80 0.32 10.11 1.01 -1.26 -1.39 120.40 134.53 1nlf s VAL 28 Ca 0.06 1.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1nlf s VAL 28 Cb -0.15 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.11 1nlf s VAL 28 CO 0.06 0.29 1.52 0.00 0.00 0.00 0.00 175.10 176.97 1nlf s ALA 29 N -0.36 3.65 0.00 5.51 0.00 0.93 -3.02 121.76 128.47 1nlf s ALA 29 Ca 0.49 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1nlf s ALA 29 Cb -0.30 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1nlf s ALA 29 CO 0.36 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.57 1nlf n GLY 30 N 1.48 0.81 3.29 0.00 0.00 -1.25 -4.98 105.19 104.54 1nlf n GLY 30 Ca 0.05 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.33 0.00 -4.61 2.61 -2.24 -1.17 -3.54 114.28 103.00 1nlf n THR 31 Ca 0.00 -2.29 -0.34 0.00 -2.27 0.00 0.00 64.05 59.16 1nlf n THR 31 Cb 0.00 0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.95 3.72 0.23 2.28 1.01 -1.26 -1.93 120.40 121.50 1nlf s VAL 32 Ca 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1nlf s VAL 32 Cb 0.01 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1nlf s VAL 32 CO 0.10 0.59 0.19 -0.83 0.00 0.00 0.00 175.10 175.16 1nlf s GLY 33 N -0.84 1.51 0.02 4.51 0.00 0.12 -4.21 107.32 108.43 1nlf s GLY 33 Ca 0.13 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 43.17 1nlf s GLY 33 CO 0.02 -1.33 -0.06 0.00 0.00 0.00 0.00 173.10 171.72 1nlf s ALA 34 N -4.00 0.43 -0.24 3.20 0.00 -0.62 -2.08 121.76 118.46 1nlf s ALA 34 Ca 0.38 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 1nlf s ALA 34 Cb 0.05 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1nlf s ALA 34 CO 0.15 0.01 -0.07 -1.17 0.00 0.00 0.00 175.76 174.67 1nlf s LEU 35 N -0.98 3.06 0.07 0.00 2.96 -0.72 -0.68 118.68 122.39 1nlf s LEU 35 Ca -0.06 -0.81 0.09 0.00 -0.22 0.00 0.00 54.13 53.12 1nlf s LEU 35 Cb -0.07 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1nlf s LEU 35 CO 0.00 -0.11 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.00 1nlf s VAL 36 N 1.33 1.90 -0.14 1.68 1.01 -0.23 -1.29 120.40 124.66 1nlf s VAL 36 Ca 0.01 -1.39 -0.34 0.00 0.00 0.00 0.00 61.98 60.25 1nlf s VAL 36 Cb -0.16 -1.66 0.15 0.00 0.00 0.00 0.00 36.38 34.71 1nlf s VAL 36 CO -0.05 0.19 1.41 -0.94 0.00 0.00 0.00 175.10 175.71 1nlf s SER 37 N -1.45 -0.01 0.67 3.32 1.04 -1.04 -2.32 113.70 113.91 1nlf s SER 37 Ca 0.09 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.36 1nlf s SER 37 Cb -0.10 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.05 1nlf s SER 37 CO 0.03 -0.04 1.11 -2.84 0.98 0.00 0.00 173.24 172.48 1nlf s PRO 38 N -2.06 2.73 0.38 4.02 0.02 -1.26 0.40 135.00 139.23 1nlf s PRO 38 Ca 0.14 1.39 -0.28 0.00 0.02 0.00 0.00 61.00 62.27 1nlf s PRO 38 Cb 0.05 -1.94 -0.11 0.00 0.02 0.00 0.00 34.50 32.52 1nlf s PRO 38 CO -0.05 -1.31 1.47 0.20 -0.33 0.00 0.00 177.00 176.98 1nlf s GLY 39 N -2.61 2.95 0.00 0.52 0.00 -1.26 -2.54 107.32 104.37 1nlf s GLY 39 Ca 0.67 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1nlf s GLY 39 CO 0.43 2.22 0.00 0.61 0.00 0.00 0.00 173.10 176.36 1nlf n GLY 40 N 0.49 0.79 0.22 0.20 0.00 -1.26 -4.93 105.19 100.70 1nlf n GLY 40 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.96 0.00 4.61 0.00 -1.86 -3.47 119.26 119.50 1nlf h ALA 41 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nlf h ALA 41 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nlf h ALA 41 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1nlf n GLY 42 N 0.81 1.71 0.30 0.00 0.00 -1.26 -4.87 105.19 101.88 1nlf n GLY 42 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.15 0.89 -0.60 1.61 1.57 -1.91 -1.67 116.57 116.61 1nlf h LYS 43 Ca 0.00 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1nlf h LYS 43 Cb 0.00 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1nlf h LYS 43 CO 0.00 0.59 0.18 0.77 -0.57 0.00 0.00 179.45 180.42 1nlf h SER 44 N 0.92 0.85 -0.13 0.86 0.02 -1.98 0.88 113.55 114.98 1nlf h SER 44 Ca 0.34 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 1nlf h SER 44 Cb 0.12 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1nlf h SER 44 CO -0.15 0.81 -0.31 -0.03 -1.14 0.00 0.00 176.83 176.00 1nlf h MET 45 N 0.89 0.44 -0.53 3.45 1.85 -1.86 -2.00 114.93 117.16 1nlf h MET 45 Ca 0.20 -0.30 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 1nlf h MET 45 Cb 0.27 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 1nlf h MET 45 CO -0.01 0.91 0.31 1.25 -0.40 0.00 0.00 176.91 178.98 1nlf h LEU 46 N 0.03 0.65 -0.56 3.39 5.85 -1.16 -1.17 115.31 122.33 1nlf h LEU 46 Ca -0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1nlf h LEU 46 Cb 0.92 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1nlf h LEU 46 CO 0.07 0.52 0.33 0.00 -0.34 0.00 0.00 178.44 179.03 1nlf h ALA 47 N 1.15 0.72 -0.68 1.25 0.00 -0.83 -0.52 119.26 120.34 1nlf h ALA 47 Ca 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1nlf h ALA 47 Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1nlf h ALA 47 CO -0.03 0.20 0.24 1.25 0.00 0.00 0.00 179.25 180.91 1nlf h LEU 48 N 0.76 0.95 -0.36 0.00 5.85 -1.07 -0.27 115.31 121.17 1nlf h LEU 48 Ca 0.20 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 1nlf h LEU 48 Cb -0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1nlf h LEU 48 CO -0.04 0.86 -0.31 1.56 -0.34 0.00 0.00 178.44 180.17 1nlf h GLN 49 N 1.00 0.85 -0.44 1.25 4.20 -0.63 0.21 115.11 121.54 1nlf h GLN 49 Ca 0.23 -0.43 -0.11 0.00 0.06 0.00 0.00 58.65 58.40 1nlf h GLN 49 Cb 0.24 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1nlf h GLN 49 CO -0.01 1.07 -0.15 -0.07 -0.67 0.00 0.00 178.83 179.00 1nlf h LEU 50 N 0.65 0.82 -0.34 1.46 -0.00 -0.97 -1.15 115.31 115.78 1nlf h LEU 50 Ca 0.06 -0.27 -0.02 0.00 -0.00 0.00 0.00 57.88 57.66 1nlf h LEU 50 Cb 0.89 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 1nlf h LEU 50 CO 0.08 0.98 0.15 0.00 -0.00 0.00 0.00 178.44 179.64 1nlf h ALA 51 N 1.09 0.44 -0.31 1.53 0.00 -0.88 -0.94 119.26 120.19 1nlf h ALA 51 Ca 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nlf h ALA 51 Cb 0.66 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1nlf h ALA 51 CO 0.05 0.03 0.05 0.00 0.00 0.00 0.00 179.25 179.37 1nlf h ALA 52 N 0.99 1.50 0.24 0.00 0.00 -0.73 -0.50 119.26 120.77 1nlf h ALA 52 Ca 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nlf h ALA 52 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nlf h ALA 52 CO -0.01 0.37 -0.12 0.37 0.00 0.00 0.00 179.25 179.86 1nlf h GLN 53 N 0.45 -0.32 -0.25 0.00 4.15 -0.78 0.36 115.11 118.72 1nlf h GLN 53 Ca 0.10 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1nlf h GLN 53 Cb 0.22 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 1nlf h GLN 53 CO 0.00 0.04 0.16 0.82 -1.93 0.00 0.00 178.83 177.93 1nlf h ILE 54 N -0.76 1.07 0.00 2.39 2.04 -1.05 0.50 117.51 121.69 1nlf h ILE 54 Ca -0.03 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1nlf h ILE 54 Cb 0.50 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1nlf h ILE 54 CO 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 178.15 178.23 1nlf h ALA 55 N 1.84 1.07 0.00 1.87 0.00 -1.02 0.71 119.26 123.74 1nlf h ALA 55 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nlf h ALA 55 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nlf h ALA 55 CO -0.02 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1nlf n GLY 56 N -0.50 -0.10 3.83 0.00 0.00 0.15 -4.18 105.19 104.39 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 -0.13 1.75 0.74 -0.02 0.00 0.12 -4.66 107.32 105.13 1nlf s GLY 57 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 1nlf s GLY 57 CO 0.00 -0.38 1.08 -4.14 0.00 0.00 0.00 173.10 169.65 1nlf s PRO 58 N -5.82 2.51 -1.29 2.90 0.02 -1.26 -4.58 135.00 127.48 1nlf s PRO 58 Ca 0.75 1.04 -0.08 0.00 0.02 0.00 0.00 61.00 62.73 1nlf s PRO 58 Cb -0.04 -1.93 0.16 0.00 0.02 0.00 0.00 34.50 32.70 1nlf s PRO 58 CO 0.54 -1.43 2.02 -3.47 -0.33 0.00 0.00 177.00 174.33 1nlf n ASP 59 N -3.36 5.94 -0.11 2.53 2.03 -1.26 -4.59 116.55 117.72 1nlf n ASP 59 Ca 0.08 -3.12 0.01 0.00 0.52 0.00 0.00 54.79 52.28 1nlf n ASP 59 Cb 0.53 -1.44 0.29 0.00 -0.72 0.00 0.00 41.12 39.78 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 7.18 0.69 -0.60 -2.67 3.38 -1.94 -2.23 115.31 119.12 1nlf h LEU 60 Ca 0.48 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1nlf h LEU 60 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1nlf h LEU 60 CO 1.59 0.56 0.00 -0.07 0.09 0.00 0.00 178.44 180.61 1nlf h LEU 61 N 0.78 0.00 0.37 1.67 3.38 -1.85 -3.39 115.31 116.27 1nlf h LEU 61 Ca 0.20 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.76 1nlf h LEU 61 Cb 0.04 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.84 1nlf h LEU 61 CO -0.03 0.00 -0.63 -0.62 0.09 0.00 0.00 178.44 177.25 1nlf n GLU 62 N -2.34 -5.54 -1.75 1.13 1.02 -0.84 -4.58 120.64 107.75 1nlf n GLU 62 Ca 0.03 0.82 -0.15 0.00 -0.02 0.00 0.00 57.16 57.84 1nlf n GLU 62 Cb 0.29 -5.72 0.08 0.00 -0.02 0.00 0.00 31.44 26.07 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 -4.59 0.00 -0.66 2.62 0.24 -1.26 -5.03 118.33 109.65 1nlf n VAL 63 Ca -0.06 -0.94 -0.32 0.00 -2.04 0.00 0.00 64.34 60.99 1nlf n VAL 63 Cb 0.59 -1.17 0.18 0.00 -1.47 0.00 0.00 33.84 31.97 1nlf n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nlf n GLY 64 N 0.06 -2.18 3.73 7.63 0.00 -1.26 -4.92 105.19 108.25 1nlf n GLY 64 Ca 0.10 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 1nlf n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nlf s GLU 65 N -3.75 4.69 0.04 1.61 2.56 -1.26 -5.04 118.70 117.55 1nlf s GLU 65 Ca 0.59 1.42 0.08 0.00 0.00 0.00 0.00 54.97 57.07 1nlf s GLU 65 Cb -0.17 -3.37 -0.03 0.00 2.00 0.00 0.00 34.13 32.56 1nlf s GLU 65 CO 0.66 0.23 -0.23 -0.51 -0.56 0.00 0.00 175.26 174.85 1nlf s LEU 66 N -0.06 2.16 0.51 2.70 1.43 -1.26 -5.07 118.68 119.08 1nlf s LEU 66 Ca 0.46 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.79 1nlf s LEU 66 Cb -0.23 -1.11 -0.07 0.00 0.03 0.00 0.00 46.19 44.81 1nlf s LEU 66 CO 0.29 0.21 1.30 -2.65 0.23 0.00 0.00 176.35 175.73 1nlf n PRO 67 N 1.88 1.73 -3.75 1.29 -0.02 -1.26 -4.89 135.00 129.99 1nlf n PRO 67 Ca -0.17 0.63 -0.27 0.00 -2.02 0.00 0.00 63.50 61.67 1nlf n PRO 67 Cb 0.53 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.28 5.23 -0.20 3.45 -4.23 -1.26 -4.75 115.64 112.61 1nlf s THR 68 Ca 0.68 -0.45 -0.36 0.00 -1.18 0.00 0.00 61.69 60.38 1nlf s THR 68 Cb -0.44 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 69.81 1nlf s THR 68 CO 0.52 -0.17 1.39 -0.83 -0.54 0.00 0.00 174.62 175.00 1nlf s GLY 69 N -3.22 -0.33 0.35 3.99 0.00 0.24 -5.02 107.32 103.33 1nlf s GLY 69 Ca 0.38 1.47 -0.29 0.00 0.00 0.00 0.00 44.72 46.28 1nlf s GLY 69 CO 0.29 0.43 1.49 -1.05 0.00 0.00 0.00 173.10 174.26 1nlf n PRO 70 N -0.23 2.58 -4.67 2.90 -0.02 -1.26 -3.80 135.00 130.51 1nlf n PRO 70 Ca -0.01 0.91 -0.23 0.00 -2.02 0.00 0.00 63.50 62.15 1nlf n PRO 70 Cb 0.60 -2.63 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 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 -0.78 1.21 -0.12 -1.45 1.01 0.21 0.13 120.40 120.60 1nlf s VAL 71 Ca 0.57 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1nlf s VAL 71 Cb -0.50 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1nlf s VAL 71 CO 0.59 0.30 -0.17 -0.51 0.00 0.00 0.00 175.10 175.31 1nlf s ILE 72 N -0.42 1.67 -0.18 2.22 2.07 -0.52 -0.84 121.20 125.20 1nlf s ILE 72 Ca 0.05 -0.75 -0.04 0.00 -1.41 0.00 0.00 60.65 58.50 1nlf s ILE 72 Cb -0.06 -1.51 -0.02 0.00 0.13 0.00 0.00 42.46 41.00 1nlf s ILE 72 CO -0.00 0.47 -0.02 -0.47 -1.91 0.00 0.00 174.94 173.01 1nlf s TYR 73 N 0.92 3.02 -0.64 3.50 5.04 0.76 -1.58 117.35 128.37 1nlf s TYR 73 Ca -0.07 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.15 1nlf s TYR 73 Cb -0.15 -2.03 0.16 0.00 0.35 0.00 0.00 41.96 40.28 1nlf s TYR 73 CO -0.01 -0.19 0.42 -0.51 -1.34 0.00 0.00 175.55 173.91 1nlf s LEU 74 N 0.79 4.70 -0.26 6.97 1.43 -0.20 -1.60 118.68 130.51 1nlf s LEU 74 Ca -0.01 -3.44 -0.27 0.00 -1.03 0.00 0.00 54.13 49.39 1nlf s LEU 74 Cb -0.14 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1nlf s LEU 74 CO 0.02 -0.17 0.96 -2.16 0.23 0.00 0.00 176.35 175.23 1nlf s PRO 75 N -0.88 4.18 0.00 1.29 0.04 -1.26 -2.22 135.00 136.15 1nlf s PRO 75 Ca 0.21 1.11 0.15 0.00 0.04 0.00 0.00 61.00 62.51 1nlf s PRO 75 Cb -0.15 -3.67 0.21 0.00 0.04 0.00 0.00 34.50 30.94 1nlf s PRO 75 CO -0.09 -0.65 1.09 0.00 0.04 0.00 0.00 177.00 177.40 1nlf n ALA 76 N 6.30 2.39 0.00 8.56 0.00 0.67 -1.16 120.51 137.27 1nlf n ALA 76 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1nlf n ALA 76 Cb 0.47 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 0.83 1.45 -3.46 0.00 1.02 -1.24 -3.74 120.64 115.50 1nlf n GLU 77 Ca 0.11 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.87 1nlf n GLU 77 Cb 0.41 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.89 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 -1.67 6.80 0.37 1.62 1.11 -1.26 -5.00 116.67 118.64 1nlf s ASP 78 Ca 0.00 0.95 -0.28 0.00 0.18 0.00 0.00 52.55 53.40 1nlf s ASP 78 Cb 0.00 -2.26 -0.10 0.00 1.07 0.00 0.00 42.92 41.63 1nlf s ASP 78 CO 0.00 0.27 1.38 -2.84 1.18 0.00 0.00 175.17 175.16 1nlf s PRO 79 N -0.80 4.15 0.30 8.23 0.02 -1.26 -4.72 135.00 140.92 1nlf s PRO 79 Ca 0.24 2.35 0.06 0.00 0.02 0.00 0.00 61.00 63.67 1nlf s PRO 79 Cb -0.17 -2.95 0.75 0.00 0.02 0.00 0.00 34.50 32.16 1nlf s PRO 79 CO 0.13 -0.42 1.76 -1.35 -0.33 0.00 0.00 177.00 176.79 1nlf h PRO 80 N 3.04 0.66 0.00 5.54 0.11 -1.98 -0.66 132.00 138.71 1nlf h PRO 80 Ca -0.50 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1nlf h PRO 80 Cb 1.24 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1nlf h PRO 80 CO 0.64 0.44 -0.11 1.79 -0.21 0.00 0.00 178.00 180.55 1nlf h THR 81 N 0.68 0.68 -0.15 -1.15 1.35 -2.01 -1.69 112.91 110.63 1nlf h THR 81 Ca 0.58 -0.46 -0.17 0.00 -0.55 0.00 0.00 66.41 65.81 1nlf h THR 81 Cb 0.96 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1nlf h THR 81 CO -0.41 0.11 -0.61 0.00 -0.25 0.00 0.00 175.52 174.36 1nlf h ALA 82 N 1.89 0.67 -0.28 6.62 0.00 -1.47 -2.86 119.26 123.82 1nlf h ALA 82 Ca -0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1nlf h ALA 82 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1nlf h ALA 82 CO 0.01 0.71 -0.12 0.82 0.00 0.00 0.00 179.25 180.68 1nlf h ILE 83 N 0.37 1.22 -0.66 0.00 1.08 -1.22 -2.19 117.51 116.11 1nlf h ILE 83 Ca -0.01 -0.98 -0.06 0.00 -0.39 0.00 0.00 64.86 63.42 1nlf h ILE 83 Cb 1.16 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 36.02 1nlf h ILE 83 CO 0.11 0.32 0.18 0.45 -0.69 0.00 0.00 178.15 178.52 1nlf h HIS 84 N 0.44 1.08 -0.35 1.37 3.86 -1.26 -1.48 115.15 118.81 1nlf h HIS 84 Ca 0.08 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.05 1nlf h HIS 84 Cb 0.47 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1nlf h HIS 84 CO 0.01 0.87 -0.31 0.45 0.86 0.00 0.00 177.93 179.81 1nlf h HIS 85 N 0.99 0.88 -0.43 2.45 3.86 -1.25 -1.60 115.15 120.06 1nlf h HIS 85 Ca 0.21 -0.23 -0.15 0.00 -1.16 0.00 0.00 60.37 59.04 1nlf h HIS 85 Cb 0.33 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 1nlf h HIS 85 CO 0.02 0.97 -0.31 -0.09 0.86 0.00 0.00 177.93 179.39 1nlf h ARG 86 N 0.64 0.97 -0.52 2.45 2.43 -1.16 -1.99 114.38 117.19 1nlf h ARG 86 Ca 0.07 -0.47 -0.07 0.00 -0.81 0.00 0.00 59.98 58.71 1nlf h ARG 86 Cb 0.84 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1nlf h ARG 86 CO 0.07 1.13 0.07 -0.07 -1.51 0.00 0.00 179.97 179.66 1nlf h LEU 87 N 0.81 0.84 -0.65 3.80 3.38 -1.20 -1.80 115.31 120.49 1nlf h LEU 87 Ca 0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1nlf h LEU 87 Cb 0.90 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1nlf h LEU 87 CO 0.08 0.90 0.40 -0.74 0.09 0.00 0.00 178.44 179.18 1nlf h HIS 88 N 0.75 0.85 -0.40 1.13 2.76 -1.17 0.16 115.15 119.23 1nlf h HIS 88 Ca 0.16 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1nlf h HIS 88 Cb 0.43 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1nlf h HIS 88 CO 0.03 0.56 0.18 0.00 -1.30 0.00 0.00 177.93 177.41 1nlf h ALA 89 N 1.21 0.51 -0.53 5.26 0.00 -1.20 -2.52 119.26 121.99 1nlf h ALA 89 Ca 0.23 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nlf h ALA 89 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1nlf h ALA 89 CO -0.05 0.09 0.16 1.25 0.00 0.00 0.00 179.25 180.70 1nlf h LEU 90 N 0.50 0.73 -1.85 0.00 5.85 -0.92 -2.71 115.31 116.91 1nlf h LEU 90 Ca 0.14 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1nlf h LEU 90 Cb 0.14 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1nlf h LEU 90 CO -0.02 0.70 0.32 1.23 -0.34 0.00 0.00 178.44 180.34 1nlf h GLY 91 N 0.94 0.23 2.00 3.75 0.00 -0.24 -0.82 103.07 108.93 1nlf h GLY 91 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1nlf h GLY 91 CO -0.01 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1nlf n ALA 92 N -2.57 1.35 1.01 3.60 0.00 -1.02 -1.28 120.51 121.59 1nlf n ALA 92 Ca 0.07 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1nlf n ALA 92 Cb 0.42 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.12 0.00 -4.99 0.00 -0.00 -0.31 -4.94 115.22 102.85 1nlf n HIS 93 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 1nlf n HIS 93 Cb 0.12 -0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.97 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 -2.09 2.52 1.05 2.41 1.02 -0.41 -5.09 118.68 118.10 1nlf s LEU 94 Ca 0.26 -0.31 -0.16 0.00 0.02 0.00 0.00 54.13 53.94 1nlf s LEU 94 Cb 0.20 -1.50 0.22 0.00 0.02 0.00 0.00 46.19 45.12 1nlf s LEU 94 CO 0.35 0.29 1.18 -0.94 0.02 0.00 0.00 176.35 177.25 1nlf s SER 95 N -0.42 2.31 0.14 2.29 1.04 -1.26 -4.75 113.70 113.05 1nlf s SER 95 Ca 0.05 0.62 -0.17 0.00 0.48 0.00 0.00 55.95 56.93 1nlf s SER 95 Cb -0.12 -0.90 0.01 0.00 0.10 0.00 0.00 66.02 65.11 1nlf s SER 95 CO 0.02 -3.26 1.77 0.00 0.98 0.00 0.00 173.24 172.75 1nlf h ALA 96 N -2.00 0.39 -0.18 5.32 0.00 -2.00 -1.50 119.26 119.30 1nlf h ALA 96 Ca -0.47 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1nlf h ALA 96 Cb 1.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nlf h ALA 96 CO 0.43 -0.21 -0.28 0.93 0.00 0.00 0.00 179.25 180.12 1nlf h GLU 97 N 0.34 0.33 -0.16 0.00 5.08 -2.00 -2.41 114.58 115.77 1nlf h GLU 97 Ca 0.13 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1nlf h GLU 97 Cb 0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nlf h GLU 97 CO -0.09 0.58 -0.53 0.93 -1.00 0.00 0.00 179.01 178.91 1nlf h GLU 98 N 0.29 0.45 -0.50 2.33 5.08 -1.83 -1.28 114.58 119.13 1nlf h GLU 98 Ca 0.04 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1nlf h GLU 98 Cb 0.64 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1nlf h GLU 98 CO 0.05 0.87 0.10 0.00 -1.00 0.00 0.00 179.01 179.03 1nlf h ARG 99 N 0.35 0.81 -0.73 2.33 3.08 -1.05 -1.44 114.38 117.73 1nlf h ARG 99 Ca 0.01 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1nlf h ARG 99 Cb 1.04 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 1nlf h ARG 99 CO 0.09 0.79 0.27 0.37 -1.07 0.00 0.00 179.97 180.42 1nlf h GLN 100 N 0.69 1.10 -0.05 0.04 5.75 -1.27 -0.87 115.11 120.50 1nlf h GLN 100 Ca 0.15 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1nlf h GLN 100 Cb 0.36 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1nlf h GLN 100 CO 0.00 0.92 -0.03 0.00 -2.65 0.00 0.00 178.83 177.07 1nlf h ALA 101 N 1.13 0.02 -0.24 3.38 0.00 -0.86 -0.57 119.26 122.12 1nlf h ALA 101 Ca 0.24 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1nlf h ALA 101 Cb 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1nlf h ALA 101 CO -0.02 -0.51 0.12 0.28 0.00 0.00 0.00 179.25 179.12 1nlf h VAL 102 N -0.03 0.99 -0.45 0.00 2.07 -1.04 -2.42 116.25 115.38 1nlf h VAL 102 Ca 0.03 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1nlf h VAL 102 Cb 0.07 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1nlf h VAL 102 CO -0.06 0.05 0.30 0.00 0.02 0.00 0.00 177.57 177.87 1nlf h ALA 103 N 1.13 1.74 0.00 1.67 0.00 -0.89 -0.19 119.26 122.72 1nlf h ALA 103 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nlf h ALA 103 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nlf h ALA 103 CO -0.07 0.22 -0.25 -0.44 0.00 0.00 0.00 179.25 178.71 1nlf h ASP 104 N 0.56 0.00 -0.01 0.00 3.32 -0.63 -3.34 116.42 116.32 1nlf h ASP 104 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1nlf h ASP 104 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1nlf h ASP 104 CO -0.04 0.25 -0.08 0.61 -1.72 0.00 0.00 179.24 178.26 1nlf n GLY 105 N 0.64 -0.44 3.24 2.75 0.00 -0.88 -5.01 105.19 105.50 1nlf n GLY 105 Ca 0.01 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.06 2.22 -0.12 0.99 2.96 -0.14 -0.62 118.68 122.91 1nlf s LEU 106 Ca 0.05 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1nlf s LEU 106 Cb 0.05 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 1nlf s LEU 106 CO 0.12 0.14 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.91 1nlf s LEU 107 N 0.45 2.52 -0.22 -0.68 2.96 -0.02 -4.80 118.68 118.89 1nlf s LEU 107 Ca -0.15 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1nlf s LEU 107 Cb -0.17 -1.55 0.05 0.00 0.50 0.00 0.00 46.19 45.02 1nlf s LEU 107 CO 0.06 0.16 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.49 1nlf s ILE 108 N 0.37 1.99 -0.39 6.68 1.01 -1.26 -0.17 121.20 129.44 1nlf s ILE 108 Ca -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.21 1nlf s ILE 108 Cb -0.17 -2.02 0.10 0.00 0.01 0.00 0.00 42.46 40.39 1nlf s ILE 108 CO 0.06 0.16 0.16 -1.58 0.00 0.00 0.00 174.94 173.74 1nlf s GLN 109 N 1.23 1.94 0.45 2.79 2.00 -0.63 -4.99 119.66 122.45 1nlf s GLN 109 Ca -0.03 -1.79 -0.26 0.00 -2.00 0.00 0.00 55.36 51.28 1nlf s GLN 109 Cb -0.17 -3.48 -0.08 0.00 0.80 0.00 0.00 33.01 30.07 1nlf s GLN 109 CO -0.08 -1.01 1.44 -2.14 -0.50 0.00 0.00 175.29 173.00 1nlf s PRO 110 N 1.11 3.71 -0.03 1.67 0.02 -1.26 -4.03 135.00 136.18 1nlf s PRO 110 Ca 0.08 2.45 0.05 0.00 0.02 0.00 0.00 61.00 63.60 1nlf s PRO 110 Cb -0.22 -2.68 0.08 0.00 0.02 0.00 0.00 34.50 31.70 1nlf s PRO 110 CO -0.05 -0.81 0.93 1.28 -0.33 0.00 0.00 177.00 178.02 1nlf n LEU 111 N -0.15 0.91 -4.71 -5.54 4.77 -0.31 -4.96 117.00 107.01 1nlf n LEU 111 Ca 0.05 -1.48 -0.42 0.00 -0.03 0.00 0.00 56.01 54.13 1nlf n LEU 111 Cb 0.41 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1nlf n LEU 111 CO 0.60 0.35 1.35 -0.51 -1.33 0.00 0.00 177.39 177.85 1nlf s ILE 112 N -0.90 2.46 0.00 -0.08 2.07 -1.25 -1.36 121.20 122.15 1nlf s ILE 112 Ca 0.08 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1nlf s ILE 112 Cb 0.07 -3.14 0.00 0.00 0.13 0.00 0.00 42.46 39.53 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 3.98 1.83 0.14 1.50 0.00 -1.26 -4.87 105.19 106.51 1nlf n GLY 113 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 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 -5.78 1.61 0.02 -1.58 -3.49 113.55 104.33 1nlf h SER 114 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1nlf h SER 114 Cb 0.00 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.68 1nlf h SER 114 CO 0.00 0.41 -0.83 0.18 -1.14 0.00 0.00 176.83 175.45 1nlf n LEU 115 N -3.11 -4.55 -4.76 5.07 4.77 -1.26 -4.95 117.00 108.22 1nlf n LEU 115 Ca 0.00 -0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 54.78 1nlf n LEU 115 Cb 0.71 -2.86 -0.02 0.00 -2.33 0.00 0.00 43.42 38.91 1nlf n LEU 115 CO 0.40 0.16 0.99 -2.84 -1.33 0.00 0.00 177.39 174.77 1nlf s PRO 116 N -4.93 4.36 -0.29 3.23 0.02 -1.25 -5.00 135.00 131.15 1nlf s PRO 116 Ca 0.42 2.19 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 1nlf s PRO 116 Cb -0.10 -3.10 0.09 0.00 0.02 0.00 0.00 34.50 31.42 1nlf s PRO 116 CO 0.79 -0.22 0.10 1.21 -0.33 0.00 0.00 177.00 178.56 1nlf s ASN 117 N -0.24 3.69 0.35 2.53 2.47 -1.26 -3.56 114.94 118.92 1nlf s ASN 117 Ca 0.52 -1.40 0.24 0.00 0.42 0.00 0.00 52.86 52.64 1nlf s ASN 117 Cb -0.39 -0.62 1.29 0.00 -1.45 0.00 0.00 41.25 40.07 1nlf s ASN 117 CO 0.49 -0.41 1.73 -0.29 -3.72 0.00 0.00 177.10 174.90 1nlf h ILE 118 N 6.46 0.00 -0.00 -5.21 2.10 -1.56 0.71 117.51 120.01 1nlf h ILE 118 Ca -0.16 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1nlf h ILE 118 Cb 1.03 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 1nlf h ILE 118 CO 0.44 0.00 -0.16 0.23 -1.08 0.00 0.00 178.15 177.58 1nlf n MET 119 N -2.34 0.67 -3.65 2.19 2.81 -1.26 -4.29 117.12 111.26 1nlf n MET 119 Ca -0.01 -0.28 -0.36 0.00 -1.81 0.00 0.00 57.70 55.24 1nlf n MET 119 Cb 0.05 -1.49 -0.08 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 -2.52 3.65 0.29 3.04 0.00 0.24 -5.00 121.76 121.46 1nlf s ALA 120 Ca 0.26 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1nlf s ALA 120 Cb 0.20 -2.27 0.72 0.00 0.00 0.00 0.00 23.12 21.77 1nlf s ALA 120 CO 0.50 0.11 1.65 -1.35 0.00 0.00 0.00 175.76 176.67 1nlf h PRO 121 N 6.71 0.22 -0.39 0.00 0.11 -1.86 -1.00 132.00 135.80 1nlf h PRO 121 Ca -0.41 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1nlf h PRO 121 Cb 1.16 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 1nlf h PRO 121 CO 0.76 0.14 0.13 0.93 -0.21 0.00 0.00 178.00 179.75 1nlf h GLU 122 N 0.22 0.28 0.05 1.05 3.07 -1.94 -0.67 114.58 116.64 1nlf h GLU 122 Ca 0.56 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 59.17 1nlf h GLU 122 Cb 1.12 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1nlf h GLU 122 CO -0.64 0.19 -1.04 -1.49 -1.40 0.00 0.00 179.01 174.62 1nlf h TRP 123 N 0.29 0.41 -0.18 4.33 4.06 -1.50 -1.70 115.95 121.67 1nlf h TRP 123 Ca 0.18 -0.26 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1nlf h TRP 123 Cb 0.16 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 1nlf h TRP 123 CO -0.15 1.13 0.06 0.35 -3.56 0.00 0.00 178.44 176.27 1nlf h PHE 124 N 0.11 0.28 -0.82 0.49 3.57 -1.08 0.18 116.94 119.67 1nlf h PHE 124 Ca -0.08 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 1nlf h PHE 124 Cb 1.73 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 40.35 1nlf h PHE 124 CO 0.05 0.36 0.38 -0.44 -2.23 0.00 0.00 178.31 176.43 1nlf h ASP 125 N 0.11 1.08 -0.35 0.41 3.45 -1.16 -0.64 116.42 119.32 1nlf h ASP 125 Ca 0.06 -0.14 -0.08 0.00 0.43 0.00 0.00 57.03 57.29 1nlf h ASP 125 Cb 0.21 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1nlf h ASP 125 CO -0.00 0.93 -0.11 1.23 -1.57 0.00 0.00 179.24 179.71 1nlf h GLY 126 N 1.17 0.76 1.21 2.75 0.00 -1.06 -1.53 103.07 106.37 1nlf h GLY 126 Ca 0.28 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1nlf h GLY 126 CO -0.03 0.58 -0.09 1.41 0.00 0.00 0.00 176.54 178.41 1nlf h LEU 127 N 0.48 0.92 -0.73 3.11 3.38 -0.48 -1.22 115.31 120.78 1nlf h LEU 127 Ca 0.09 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1nlf h LEU 127 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1nlf h LEU 127 CO 0.04 1.03 -0.06 0.50 0.09 0.00 0.00 178.44 180.05 1nlf h LYS 128 N 0.84 0.91 -0.38 1.13 3.64 -1.05 -1.66 116.57 120.00 1nlf h LYS 128 Ca 0.14 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 1nlf h LYS 128 Cb 0.62 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1nlf h LYS 128 CO 0.04 0.94 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.97 1nlf h ARG 129 N 0.83 0.65 0.00 1.90 9.65 -1.02 -2.34 114.38 124.06 1nlf h ARG 129 Ca 0.14 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1nlf h ARG 129 Cb 0.57 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1nlf h ARG 129 CO 0.03 0.75 -0.07 0.00 2.80 0.00 0.00 179.97 183.48 1nlf h ALA 130 N 1.29 1.00 0.00 2.80 0.00 -0.82 -2.92 119.26 120.61 1nlf h ALA 130 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1nlf h ALA 130 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1nlf h ALA 130 CO 0.03 0.09 -0.64 0.00 0.00 0.00 0.00 179.25 178.73 1nlf h ALA 131 N 1.93 0.72 -2.23 0.00 0.00 -0.78 -3.45 119.26 115.45 1nlf h ALA 131 Ca -0.00 -0.28 -0.59 0.00 0.00 0.00 0.00 54.91 54.04 1nlf h ALA 131 Cb 0.67 0.03 0.05 0.00 0.00 0.00 0.00 17.79 18.54 1nlf h ALA 131 CO 0.01 0.34 0.90 0.39 0.00 0.00 0.00 179.25 180.89 1nlf n GLU 132 N -2.99 2.21 -0.97 0.00 1.02 -1.02 -1.78 120.64 117.11 1nlf n GLU 132 Ca 0.00 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1nlf n GLU 132 Cb 0.65 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 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 3.75 0.51 3.72 0.62 0.00 -1.26 -5.02 105.19 107.51 1nlf n GLY 133 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.37 2.57 -0.11 1.61 0.52 -0.73 -4.66 118.95 117.77 1nlf s ARG 134 Ca 0.00 -1.23 0.04 0.00 -0.52 0.00 0.00 55.73 54.02 1nlf s ARG 134 Cb 0.00 -2.35 -0.24 0.00 0.52 0.00 0.00 34.95 32.88 1nlf s ARG 134 CO 0.00 0.39 0.39 -2.13 0.02 0.00 0.00 175.30 173.97 1nlf n ARG 135 N -0.92 0.69 -3.76 3.54 3.00 0.12 -3.85 116.66 115.49 1nlf n ARG 135 Ca -0.07 0.24 -0.13 0.00 -0.00 0.00 0.00 57.85 57.88 1nlf n ARG 135 Cb 0.58 -1.70 -0.10 0.00 0.00 0.00 0.00 32.46 31.24 1nlf n ARG 135 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1nlf s LEU 136 N -6.46 0.72 -0.09 6.15 2.96 -1.14 -1.89 118.68 118.93 1nlf s LEU 136 Ca -0.16 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1nlf s LEU 136 Cb 0.07 1.21 0.02 0.00 0.50 0.00 0.00 46.19 47.99 1nlf s LEU 136 CO 0.78 -0.20 -0.13 -0.32 -1.32 0.00 0.00 176.35 175.16 1nlf s MET 137 N -0.21 1.88 -0.17 1.98 -2.45 0.02 -1.43 119.30 118.92 1nlf s MET 137 Ca -0.04 -0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 53.94 1nlf s MET 137 Cb -0.03 -1.65 -0.01 0.00 1.25 0.00 0.00 34.83 34.39 1nlf s MET 137 CO 0.01 -0.07 -0.08 0.08 1.05 0.00 0.00 175.02 176.02 1nlf s VAL 138 N 1.01 3.34 -0.27 10.11 1.01 -0.61 -1.64 120.40 133.35 1nlf s VAL 138 Ca -0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1nlf s VAL 138 Cb -0.15 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1nlf s VAL 138 CO -0.01 0.48 0.09 -0.76 0.00 0.00 0.00 175.10 174.90 1nlf s LEU 139 N 0.84 3.70 -0.33 3.92 1.43 -0.55 -1.03 118.68 126.65 1nlf s LEU 139 Ca -0.02 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1nlf s LEU 139 Cb -0.15 -1.93 0.10 0.00 0.03 0.00 0.00 46.19 44.24 1nlf s LEU 139 CO 0.01 -0.11 0.09 -0.62 0.23 0.00 0.00 176.35 175.95 1nlf s ASP 140 N 1.59 4.33 0.43 2.29 2.15 -0.94 -0.74 116.67 125.79 1nlf s ASP 140 Ca 0.05 -1.94 0.06 0.00 0.43 0.00 0.00 52.55 51.16 1nlf s ASP 140 Cb -0.16 -1.21 -0.04 0.00 -0.30 0.00 0.00 42.92 41.20 1nlf s ASP 140 CO 0.04 -0.39 0.15 0.42 -0.17 0.00 0.00 175.17 175.23 1nlf s THR 141 N 1.21 2.08 0.34 1.71 -4.23 -1.26 -0.24 115.64 115.24 1nlf s THR 141 Ca 0.11 -1.76 0.11 0.00 -1.18 0.00 0.00 61.69 58.98 1nlf s THR 141 Cb -0.19 -2.84 0.33 0.00 1.34 0.00 0.00 72.50 71.15 1nlf s THR 141 CO -0.16 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 175.90 1nlf h LEU 142 N 1.41 0.63 -1.73 4.79 5.85 -1.32 -2.05 115.31 122.90 1nlf h LEU 142 Ca -0.43 0.13 0.24 0.00 0.84 0.00 0.00 57.88 58.67 1nlf h LEU 142 Cb 1.26 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.27 1nlf h LEU 142 CO 0.71 0.09 0.64 -0.09 -0.34 0.00 0.00 178.44 179.46 1nlf h ARG 143 N 0.54 0.20 -0.58 1.25 9.65 -1.91 -0.12 114.38 123.40 1nlf h ARG 143 Ca 0.64 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.51 1nlf h ARG 143 Cb 1.30 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1nlf h ARG 143 CO -0.44 0.13 0.00 0.54 2.80 0.00 0.00 179.97 183.00 1nlf n ARG 144 N -4.40 2.68 -0.08 0.20 5.12 -0.77 -3.87 116.66 115.53 1nlf n ARG 144 Ca 0.20 -1.85 0.03 0.00 -1.93 0.00 0.00 57.85 54.30 1nlf n ARG 144 Cb 0.87 -1.62 0.07 0.00 -1.16 0.00 0.00 32.46 30.62 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 0.70 0.20 -3.55 -1.55 3.01 -0.06 -3.74 117.46 112.47 1nlf n PHE 145 Ca 0.17 -0.56 -0.10 0.00 1.01 0.00 0.00 57.45 57.97 1nlf n PHE 145 Cb 0.59 -0.07 -0.02 0.00 -0.01 0.00 0.00 39.48 39.97 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 -1.26 -0.42 -0.16 1.38 -3.43 -1.23 -1.36 115.29 108.81 1nlf s HIS 146 Ca 0.12 0.15 0.14 0.00 -0.80 0.00 0.00 55.06 54.67 1nlf s HIS 146 Cb 0.08 0.60 0.37 0.00 -1.43 0.00 0.00 32.58 32.20 1nlf s HIS 146 CO 0.06 -0.91 1.19 0.44 -2.00 0.00 0.00 174.74 173.52 1nlf n ILE 147 N -0.39 1.87 -2.63 -5.38 -5.35 -1.26 -4.92 119.36 101.30 1nlf n ILE 147 Ca -0.12 -2.69 -0.22 0.00 -0.27 0.00 0.00 62.75 59.44 1nlf n ILE 147 Cb 0.63 -0.12 0.07 0.00 -1.74 0.00 0.00 39.64 38.48 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 -2.78 2.16 -0.31 6.28 0.41 -1.26 -5.05 118.70 118.14 1nlf s GLU 148 Ca 0.35 -0.96 -0.23 0.00 -0.41 0.00 0.00 54.97 53.72 1nlf s GLU 148 Cb 0.33 -2.42 -0.00 0.00 -1.78 0.00 0.00 34.13 30.26 1nlf s GLU 148 CO -0.05 -1.04 0.75 -2.00 -0.49 0.00 0.00 175.26 172.43 1nlf s GLU 149 N -4.93 3.91 0.00 1.61 2.56 -1.26 -4.90 118.70 115.69 1nlf s GLU 149 Ca 0.61 0.47 0.11 0.00 0.00 0.00 0.00 54.97 56.16 1nlf s GLU 149 Cb -0.08 -3.74 0.59 0.00 2.00 0.00 0.00 34.13 32.90 1nlf s GLU 149 CO 0.41 -0.68 1.14 0.39 -0.56 0.00 0.00 175.26 175.96 1nlf n GLU 150 N 6.16 0.25 0.02 4.30 1.02 -1.26 -1.19 120.64 129.94 1nlf n GLU 150 Ca 0.02 0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.36 1nlf n GLU 150 Cb 0.48 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.12 0.62 -4.55 1.62 3.02 -1.26 -4.56 115.26 109.03 1nlf n ASN 151 Ca 0.07 -0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 53.92 1nlf n ASN 151 Cb 0.06 0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 39.95 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 -3.17 3.34 0.31 5.41 0.00 -0.34 -4.74 121.76 122.57 1nlf s ALA 152 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1nlf s ALA 152 Cb 0.15 -3.41 0.49 0.00 0.00 0.00 0.00 23.12 20.34 1nlf s ALA 152 CO 0.80 -1.78 1.93 0.66 0.00 0.00 0.00 175.76 177.37 1nlf h SER 153 N 8.83 0.82 0.71 0.00 4.64 -1.88 -1.84 113.55 124.83 1nlf h SER 153 Ca -0.25 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1nlf h SER 153 Cb 1.09 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1nlf h SER 153 CO 0.94 0.66 -0.34 1.23 -0.87 0.00 0.00 176.83 178.45 1nlf h GLY 154 N 0.98 -1.00 0.82 -0.77 0.00 -1.96 -0.80 103.07 100.34 1nlf h GLY 154 Ca 0.23 0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.98 1nlf h GLY 154 CO -0.04 -0.36 0.57 -2.55 0.00 0.00 0.00 176.54 174.16 1nlf h PRO 155 N -1.14 1.05 -0.03 4.80 0.11 -1.91 -1.87 132.00 133.01 1nlf h PRO 155 Ca -0.10 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.87 1nlf h PRO 155 Cb 0.73 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1nlf h PRO 155 CO 0.16 0.70 -0.38 0.52 -0.21 0.00 0.00 178.00 178.79 1nlf h MET 156 N 1.08 0.05 -0.07 1.05 2.86 -1.38 -1.03 114.93 117.50 1nlf h MET 156 Ca 0.37 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.93 1nlf h MET 156 Cb 0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1nlf h MET 156 CO -0.14 0.43 -0.24 0.00 1.06 0.00 0.00 176.91 178.02 1nlf h ALA 157 N 1.57 1.47 0.00 6.32 0.00 -0.33 -0.54 119.26 127.76 1nlf h ALA 157 Ca 0.00 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1nlf h ALA 157 Cb 0.69 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1nlf h ALA 157 CO 0.05 0.38 -0.78 1.96 0.00 0.00 0.00 179.25 180.87 1nlf h GLN 158 N 0.11 0.52 0.22 0.00 4.20 -0.87 -1.30 115.11 117.99 1nlf h GLN 158 Ca 0.02 -0.57 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 1nlf h GLN 158 Cb 0.49 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1nlf h GLN 158 CO 0.03 1.19 -0.11 0.28 -0.67 0.00 0.00 178.83 179.56 1nlf h VAL 159 N 0.08 0.82 -0.33 -0.54 2.07 -0.90 -1.23 116.25 116.22 1nlf h VAL 159 Ca -0.10 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1nlf h VAL 159 Cb 1.47 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1nlf h VAL 159 CO 0.15 0.05 -0.13 0.40 0.02 0.00 0.00 177.57 178.07 1nlf h ILE 160 N -0.41 1.24 -0.97 4.57 2.04 -1.23 -2.71 117.51 120.05 1nlf h ILE 160 Ca -0.03 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.78 1nlf h ILE 160 Cb 0.31 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1nlf h ILE 160 CO 0.05 0.36 0.63 1.23 0.00 0.00 0.00 178.15 180.42 1nlf h GLY 161 N 0.95 1.38 1.71 5.37 0.00 -0.97 -1.38 103.07 110.14 1nlf h GLY 161 Ca 0.09 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1nlf h GLY 161 CO 0.03 0.45 -0.26 3.21 0.00 0.00 0.00 176.54 179.97 1nlf h ARG 162 N 1.26 0.33 -0.39 4.80 3.08 -0.91 -0.90 114.38 121.65 1nlf h ARG 162 Ca 0.37 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 60.20 1nlf h ARG 162 Cb -0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1nlf h ARG 162 CO -0.10 0.58 -0.18 0.52 -1.07 0.00 0.00 179.97 179.71 1nlf h MET 163 N 0.30 0.74 -0.38 0.04 2.86 -1.18 -1.94 114.93 115.38 1nlf h MET 163 Ca 0.05 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1nlf h MET 163 Cb 0.63 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1nlf h MET 163 CO 0.05 0.87 -0.15 0.93 1.06 0.00 0.00 176.91 179.66 1nlf h GLU 164 N 0.66 0.69 -0.46 1.72 5.08 -0.66 -1.71 114.58 119.90 1nlf h GLU 164 Ca 0.10 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1nlf h GLU 164 Cb 0.67 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1nlf h GLU 164 CO 0.05 0.81 0.19 0.00 -1.00 0.00 0.00 179.01 179.06 1nlf h ALA 165 N 1.21 0.60 -0.42 3.43 0.00 -0.78 -0.34 119.26 122.97 1nlf h ALA 165 Ca 0.10 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nlf h ALA 165 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1nlf h ALA 165 CO 0.04 0.20 0.04 0.82 0.00 0.00 0.00 179.25 180.35 1nlf h ILE 166 N 0.60 1.25 -0.40 0.00 2.04 -1.18 -1.28 117.51 118.55 1nlf h ILE 166 Ca 0.16 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 1nlf h ILE 166 Cb 0.18 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1nlf h ILE 166 CO -0.01 0.32 -0.07 0.00 0.00 0.00 0.00 178.15 178.39 1nlf h ALA 167 N 0.92 0.55 -0.08 1.87 0.00 -1.17 -1.08 119.26 120.27 1nlf h ALA 167 Ca 0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1nlf h ALA 167 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1nlf h ALA 167 CO 0.01 0.39 -0.54 0.00 0.00 0.00 0.00 179.25 179.12 1nlf h ALA 168 N 0.86 0.94 0.14 0.00 0.00 -1.06 0.15 119.26 120.30 1nlf h ALA 168 Ca 0.11 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.29 1nlf h ALA 168 Cb 0.58 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.30 1nlf h ALA 168 CO 0.03 0.68 -0.98 0.22 0.00 0.00 0.00 179.25 179.21 1nlf h ASP 169 N 0.18 0.61 0.65 0.00 3.58 -1.16 -3.37 116.42 116.91 1nlf h ASP 169 Ca 0.00 -0.90 -0.04 0.00 0.42 0.00 0.00 57.03 56.51 1nlf h ASP 169 Cb 1.01 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1nlf h ASP 169 CO 0.08 1.46 -1.38 0.35 -2.88 0.00 0.00 179.24 176.88 1nlf n THR 170 N -4.01 0.57 -0.26 2.25 -2.24 -0.42 -4.96 114.28 105.21 1nlf n THR 170 Ca -0.14 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1nlf n THR 170 Cb 0.88 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.25 1.43 3.66 3.38 0.00 0.54 -4.60 105.19 110.86 1nlf n GLY 171 Ca -0.04 0.00 -0.42 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 1.20 5.85 -0.09 0.00 0.01 -0.79 -4.06 113.70 115.82 1nlf s SER 173 Ca 0.42 2.06 0.02 0.00 1.31 0.00 0.00 55.95 59.77 1nlf s SER 173 Cb -0.16 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.52 1nlf s SER 173 CO 0.09 -1.13 -0.14 -0.63 0.41 0.00 0.00 173.24 171.85 1nlf s ILE 174 N -1.93 1.35 -0.11 1.44 1.01 -0.81 -0.80 121.20 121.33 1nlf s ILE 174 Ca 0.70 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1nlf s ILE 174 Cb -0.21 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1nlf s ILE 174 CO 0.27 0.41 -0.16 -0.69 0.00 0.00 0.00 174.94 174.77 1nlf s VAL 175 N 0.83 1.56 0.02 2.92 1.01 -0.65 -0.70 120.40 125.39 1nlf s VAL 175 Ca -0.11 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1nlf s VAL 175 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1nlf s VAL 175 CO 0.01 0.45 -0.12 0.72 0.00 0.00 0.00 175.10 176.17 1nlf s PHE 176 N 1.00 2.74 0.28 5.22 -0.12 -0.88 -1.48 117.98 124.74 1nlf s PHE 176 Ca -0.06 -0.14 -0.12 0.00 -0.05 0.00 0.00 56.93 56.56 1nlf s PHE 176 Cb -0.15 -1.55 -0.08 0.00 -0.63 0.00 0.00 43.02 40.61 1nlf s PHE 176 CO -0.02 0.31 0.65 -0.51 -0.05 0.00 0.00 175.22 175.60 1nlf s LEU 177 N -1.40 4.11 -0.12 -1.99 1.43 0.09 -1.75 118.68 119.04 1nlf s LEU 177 Ca 0.16 1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1nlf s LEU 177 Cb -0.11 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.29 1nlf s LEU 177 CO 0.06 -0.15 0.24 -2.28 0.23 0.00 0.00 176.35 174.46 1nlf s HIS 178 N -1.92 -0.37 0.01 0.29 5.65 -0.41 -1.25 115.29 117.28 1nlf s HIS 178 Ca 0.51 0.90 -0.30 0.00 0.25 0.00 0.00 55.06 56.41 1nlf s HIS 178 Cb -0.11 -0.08 -0.05 0.00 -1.18 0.00 0.00 32.58 31.17 1nlf s HIS 178 CO 0.20 -0.33 1.23 -1.01 -0.65 0.00 0.00 174.74 174.17 1nlf s HIS 179 N 2.34 3.26 -0.21 3.88 3.76 -1.26 -2.51 115.29 124.56 1nlf s HIS 179 Ca 0.01 1.20 -0.34 0.00 -0.15 0.00 0.00 55.06 55.78 1nlf s HIS 179 Cb -0.12 -3.46 -0.11 0.00 1.11 0.00 0.00 32.58 30.00 1nlf s HIS 179 CO -0.08 -1.47 2.02 0.00 -0.85 0.00 0.00 174.74 174.36 1nlf n ALA 180 N 4.59 0.97 -2.20 -1.40 0.00 0.16 -4.89 120.51 117.74 1nlf n ALA 180 Ca 0.10 0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 1nlf n ALA 180 Cb 0.46 -2.55 -0.10 0.00 0.00 0.00 0.00 19.45 17.26 1nlf n ALA 180 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nlf s VAL 201 N 5.72 0.42 -0.02 0.00 1.01 -1.26 -4.79 120.40 121.47 1nlf s VAL 201 Ca 1.00 -1.78 0.12 0.00 0.00 0.00 0.00 61.98 61.31 1nlf s VAL 201 Cb -0.73 -1.48 -0.15 0.00 0.00 0.00 0.00 36.38 34.01 1nlf s VAL 201 CO 0.50 -0.90 1.07 -0.07 0.00 0.00 0.00 175.10 175.70 1nlf h LEU 202 N 3.21 0.00 -0.96 3.92 3.38 -2.00 -3.33 115.31 119.53 1nlf h LEU 202 Ca -0.34 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1nlf h LEU 202 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1nlf h LEU 202 CO 0.63 0.84 0.31 1.62 0.09 0.00 0.00 178.44 181.93 1nlf h VAL 203 N 0.00 1.24 -0.43 1.22 3.04 -2.01 -2.68 116.25 116.62 1nlf h VAL 203 Ca -0.11 -0.73 -0.01 0.00 -1.01 0.00 0.00 66.70 64.84 1nlf h VAL 203 Cb 1.73 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 1nlf h VAL 203 CO 0.09 0.30 0.22 0.44 -1.01 0.00 0.00 177.57 177.61 1nlf h ASP 204 N 1.04 0.53 -0.54 3.17 3.45 -2.05 -2.50 116.42 119.53 1nlf h ASP 204 Ca 0.25 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.67 1nlf h ASP 204 Cb 0.16 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1nlf h ASP 204 CO -0.03 0.44 0.00 0.59 -1.57 0.00 0.00 179.24 178.68 1nlf n ASN 205 N -4.41 3.06 -4.27 6.45 3.02 -1.03 -4.89 115.26 113.18 1nlf n ASN 205 Ca 0.03 -2.06 -0.30 0.00 -0.03 0.00 0.00 54.58 52.23 1nlf n ASN 205 Cb 0.11 -0.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.73 1nlf n ASN 205 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nlf s ILE 206 N -1.36 1.91 -0.34 2.41 -1.09 -0.94 -5.02 121.20 116.77 1nlf s ILE 206 Ca 0.37 -1.02 0.22 0.00 -2.23 0.00 0.00 60.65 57.99 1nlf s ILE 206 Cb 0.20 -1.60 -0.14 0.00 -1.58 0.00 0.00 42.46 39.35 1nlf s ILE 206 CO 0.24 0.54 0.89 0.54 -1.23 0.00 0.00 174.94 175.91 1nlf n ARG 207 N 2.61 0.49 -4.47 2.79 3.00 -1.26 -4.88 116.66 114.94 1nlf n ARG 207 Ca -0.16 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.85 57.43 1nlf n ARG 207 Cb 0.52 -1.65 -0.16 0.00 0.00 0.00 0.00 32.46 31.16 1nlf n ARG 207 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 1nlf s TRP 208 N -3.34 1.27 -0.09 -1.55 -0.00 -1.26 -3.84 118.94 110.13 1nlf s TRP 208 Ca -0.01 -0.45 -0.05 0.00 -0.00 0.00 0.00 56.10 55.60 1nlf s TRP 208 Cb 0.13 -0.96 0.04 0.00 -0.00 0.00 0.00 33.47 32.68 1nlf s TRP 208 CO 0.83 -0.25 0.22 -1.14 -0.00 0.00 0.00 176.95 176.60 1nlf s GLN 209 N 0.73 0.18 0.36 5.86 0.74 0.38 -1.59 119.66 126.33 1nlf s GLN 209 Ca -0.14 0.48 0.08 0.00 0.05 0.00 0.00 55.36 55.83 1nlf s GLN 209 Cb -0.15 -0.12 -0.07 0.00 1.10 0.00 0.00 33.01 33.77 1nlf s GLN 209 CO 0.03 -0.16 -0.04 -1.54 -0.55 0.00 0.00 175.29 173.04 1nlf s SER 210 N 1.17 3.60 0.23 6.67 1.04 0.14 -0.30 113.70 126.25 1nlf s SER 210 Ca -0.09 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 54.94 1nlf s SER 210 Cb -0.10 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.68 1nlf s SER 210 CO -0.07 -0.35 0.43 -0.72 0.98 0.00 0.00 173.24 173.50 1nlf s TYR 211 N -2.74 0.40 -0.02 5.02 -0.85 -0.03 -1.07 117.35 118.06 1nlf s TYR 211 Ca 0.34 -0.75 0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1nlf s TYR 211 Cb 0.06 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.52 1nlf s TYR 211 CO 0.17 -0.93 -0.09 -1.17 -1.52 0.00 0.00 175.55 172.01 1nlf s LEU 212 N -3.01 1.81 -0.15 -3.49 2.96 -0.98 -2.47 118.68 113.34 1nlf s LEU 212 Ca 0.22 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.91 1nlf s LEU 212 Cb 0.00 -0.54 0.07 0.00 0.50 0.00 0.00 46.19 46.22 1nlf s LEU 212 CO 0.07 0.07 0.21 -0.94 -1.32 0.00 0.00 176.35 174.44 1nlf s SER 213 N 0.15 1.01 0.50 3.68 1.04 -0.57 -4.53 113.70 114.98 1nlf s SER 213 Ca -0.02 0.10 -0.23 0.00 0.48 0.00 0.00 55.95 56.28 1nlf s SER 213 Cb -0.08 0.40 -0.07 0.00 0.10 0.00 0.00 66.02 66.37 1nlf s SER 213 CO 0.00 -0.29 1.27 -1.20 0.98 0.00 0.00 173.24 174.00 1nlf n SER 214 N 5.33 2.36 -4.68 7.02 7.64 -1.26 -1.54 113.62 128.48 1nlf n SER 214 Ca -0.05 1.01 -0.44 0.00 1.01 0.00 0.00 58.87 60.39 1nlf n SER 214 Cb 0.50 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.14 1nlf n SER 214 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1nlf n MET 215 N -0.57 2.57 -2.10 1.43 1.56 -0.65 -4.86 117.12 114.49 1nlf n MET 215 Ca 0.09 0.93 -0.29 0.00 -0.27 0.00 0.00 57.70 58.17 1nlf n MET 215 Cb 0.43 -2.80 0.03 0.00 2.15 0.00 0.00 33.22 33.04 1nlf n MET 215 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1nlf s THR 216 N 2.58 3.78 0.34 1.12 2.01 -1.26 -4.79 115.64 119.41 1nlf s THR 216 Ca 0.83 0.35 0.03 0.00 0.31 0.00 0.00 61.69 63.21 1nlf s THR 216 Cb -0.55 -3.54 0.20 0.00 0.01 0.00 0.00 72.50 68.61 1nlf s THR 216 CO 0.40 -0.65 1.93 0.77 -0.69 0.00 0.00 174.62 176.37 1nlf h SER 217 N -0.40 0.61 -0.49 3.53 4.64 -1.99 0.13 113.55 119.59 1nlf h SER 217 Ca -0.45 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 60.72 1nlf h SER 217 Cb 1.24 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1nlf h SER 217 CO 0.62 0.56 0.00 0.00 -0.87 0.00 0.00 176.83 177.15 1nlf h ALA 218 N 1.53 0.66 -0.12 5.18 0.00 -2.00 -2.09 119.26 122.42 1nlf h ALA 218 Ca 0.16 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1nlf h ALA 218 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nlf h ALA 218 CO -0.01 0.46 -0.45 0.93 0.00 0.00 0.00 179.25 180.17 1nlf h GLU 219 N 0.72 0.29 -0.63 0.00 5.08 -1.77 -2.09 114.58 116.17 1nlf h GLU 219 Ca 0.14 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nlf h GLU 219 Cb 0.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1nlf h GLU 219 CO 0.02 0.69 0.41 0.00 -1.00 0.00 0.00 179.01 179.14 1nlf h ALA 220 N 1.29 0.80 -0.68 3.43 0.00 -0.43 -1.33 119.26 122.34 1nlf h ALA 220 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1nlf h ALA 220 Cb 0.89 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1nlf h ALA 220 CO 0.07 0.24 0.21 0.93 0.00 0.00 0.00 179.25 180.70 1nlf h GLU 221 N 0.86 1.07 -0.00 0.00 5.08 -1.11 0.41 114.58 120.88 1nlf h GLU 221 Ca 0.23 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1nlf h GLU 221 Cb -0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 1nlf h GLU 221 CO -0.05 0.93 -0.13 1.49 -1.00 0.00 0.00 179.01 180.25 1nlf h GLU 222 N 1.00 0.00 -0.33 2.33 4.57 -0.69 -2.95 114.58 118.52 1nlf h GLU 222 Ca 0.22 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.35 1nlf h GLU 222 Cb 0.31 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 1nlf h GLU 222 CO -0.01 0.13 0.01 0.91 -1.18 0.00 0.00 179.01 178.88 1nlf n TRP 223 N -4.38 1.14 -2.38 0.92 7.02 -0.57 -1.13 117.44 118.07 1nlf n TRP 223 Ca -0.03 -1.00 -0.19 0.00 -1.02 0.00 0.00 57.50 55.27 1nlf n TRP 223 Cb 0.20 -0.38 -0.01 0.00 -2.42 0.00 0.00 31.31 28.70 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 -0.52 -0.42 3.60 6.99 0.00 -0.94 -4.28 105.19 109.63 1nlf n GLY 224 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.93 4.94 0.52 1.61 1.01 0.09 -5.04 120.40 120.60 1nlf s VAL 225 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 1nlf s VAL 225 Cb 0.00 -3.28 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1nlf s VAL 225 CO 0.00 0.38 1.34 -1.81 0.00 0.00 0.00 175.10 175.01 1nlf s ASP 226 N 0.98 5.47 1.29 3.32 1.01 -1.26 -4.21 116.67 123.26 1nlf s ASP 226 Ca 0.06 2.73 -0.18 0.00 0.71 0.00 0.00 52.55 55.87 1nlf s ASP 226 Cb -0.14 -2.63 0.32 0.00 1.01 0.00 0.00 42.92 41.48 1nlf s ASP 226 CO 0.03 -1.43 0.98 -0.62 0.21 0.00 0.00 175.17 174.34 1nlf s ASP 227 N -0.94 -0.01 0.00 0.27 2.15 -1.26 -2.09 116.67 114.78 1nlf s ASP 227 Ca 0.69 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.81 1nlf s ASP 227 Cb -0.39 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1nlf s ASP 227 CO 0.47 -4.76 0.00 -0.90 -0.17 0.00 0.00 175.17 169.81 1nlf n ASP 228 N -5.26 0.00 -0.00 -0.34 5.68 -1.26 -4.42 116.55 110.95 1nlf n ASP 228 Ca 0.08 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.42 1nlf n ASP 228 Cb 0.57 -0.26 -0.07 0.00 -1.14 0.00 0.00 41.12 40.22 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 -1.48 2.79 0.29 0.11 1.13 -0.89 -4.44 117.38 114.88 1nlf n GLN 229 Ca 0.00 -0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.20 1nlf n GLN 229 Cb 0.00 -1.10 0.87 0.00 0.11 0.00 0.00 30.24 30.12 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 -1.75 -2.13 114.38 109.52 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 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1nlf h ARG 230 CO 0.00 0.03 0.02 2.89 0.10 0.00 0.00 179.97 183.01 1nlf n ARG 231 N -3.82 0.10 -0.33 0.08 1.85 -1.26 -1.39 116.66 111.88 1nlf n ARG 231 Ca -0.03 0.59 0.12 0.00 -1.00 0.00 0.00 57.85 57.53 1nlf n ARG 231 Cb 0.12 -1.84 0.30 0.00 -1.05 0.00 0.00 32.46 29.99 1nlf n ARG 231 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1nlf n PHE 232 N -2.03 0.87 -4.47 2.89 3.01 -0.80 -4.92 117.46 112.02 1nlf n PHE 232 Ca -0.01 -0.44 -0.21 0.00 1.01 0.00 0.00 57.45 57.80 1nlf n PHE 232 Cb 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.37 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 -1.13 1.24 -0.02 1.38 0.40 -0.49 0.33 117.98 119.69 1nlf s PHE 233 Ca 0.46 -0.30 -0.04 0.00 -0.60 0.00 0.00 56.93 56.45 1nlf s PHE 233 Cb 0.25 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 43.02 1nlf s PHE 233 CO 0.33 0.01 0.10 0.08 0.70 0.00 0.00 175.22 176.44 1nlf s VAL 234 N -0.63 0.03 -0.11 -0.44 1.01 -0.34 -1.64 120.40 118.28 1nlf s VAL 234 Ca 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1nlf s VAL 234 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1nlf s VAL 234 CO 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 175.10 174.97 1nlf s ARG 235 N -0.47 3.21 -0.08 2.72 1.70 -0.59 0.56 118.95 126.00 1nlf s ARG 235 Ca -0.05 -0.39 0.04 0.00 -0.47 0.00 0.00 55.73 54.85 1nlf s ARG 235 Cb -0.04 -2.88 -0.01 0.00 -0.57 0.00 0.00 34.95 31.45 1nlf s ARG 235 CO 0.00 0.61 -0.19 0.12 -1.08 0.00 0.00 175.30 174.76 1nlf s PHE 236 N -0.60 2.61 0.27 5.89 5.36 0.17 -1.51 117.98 130.17 1nlf s PHE 236 Ca 0.10 -0.60 -0.15 0.00 -0.96 0.00 0.00 56.93 55.32 1nlf s PHE 236 Cb -0.12 -1.68 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 1nlf s PHE 236 CO 0.02 -0.14 0.57 0.20 -1.46 0.00 0.00 175.22 174.42 1nlf s GLY 237 N -0.12 0.37 -0.31 13.12 0.00 -1.03 -0.23 107.32 119.12 1nlf s GLY 237 Ca -0.03 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 43.89 1nlf s GLY 237 CO 0.04 -0.45 0.11 0.14 0.00 0.00 0.00 173.10 172.93 1nlf s VAL 238 N -3.83 4.08 -0.37 1.40 1.01 -1.26 -0.85 120.40 120.56 1nlf s VAL 238 Ca 0.19 -0.77 0.23 0.00 0.00 0.00 0.00 61.98 61.63 1nlf s VAL 238 Cb -0.03 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1nlf s VAL 238 CO 0.09 -0.01 1.07 -1.54 0.00 0.00 0.00 175.10 174.72 1nlf n SER 239 N 4.89 0.74 -3.67 3.32 3.41 0.59 -4.85 113.62 118.04 1nlf n SER 239 Ca -0.14 0.18 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1nlf n SER 239 Cb 0.47 0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 64.80 1nlf n SER 239 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1nlf s LYS 240 N -3.30 0.16 -0.23 4.33 2.20 -0.78 -4.94 119.74 117.17 1nlf s LYS 240 Ca 0.01 0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 56.13 1nlf s LYS 240 Cb 0.11 -0.05 0.06 0.00 -1.51 0.00 0.00 37.83 36.44 1nlf s LYS 240 CO 0.78 -0.26 0.61 0.00 -0.36 0.00 0.00 175.35 176.11 1nlf s ALA 241 N 2.22 -1.51 -0.14 3.13 0.00 -1.25 -0.47 121.76 123.74 1nlf s ALA 241 Ca -0.01 1.75 0.19 0.00 0.00 0.00 0.00 51.96 53.89 1nlf s ALA 241 Cb -0.12 -1.02 -0.27 0.00 0.00 0.00 0.00 23.12 21.72 1nlf s ALA 241 CO -0.09 -0.29 0.25 0.09 0.00 0.00 0.00 175.76 175.72 1nlf n ASN 242 N 2.88 0.08 -4.24 0.00 3.02 -1.26 -5.01 115.26 110.73 1nlf n ASN 242 Ca -0.14 0.04 -0.16 0.00 -0.03 0.00 0.00 54.58 54.29 1nlf n ASN 242 Cb 0.56 1.19 -0.10 0.00 -0.61 0.00 0.00 39.78 40.82 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 -2.80 1.30 0.00 3.10 2.02 -1.26 -5.12 117.35 114.59 1nlf s TYR 243 Ca -0.09 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1nlf s TYR 243 Cb 0.08 -0.67 0.00 0.00 -0.40 0.00 0.00 41.96 40.98 1nlf s TYR 243 CO 0.85 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 175.35 1nlf n GLY 244 N 0.15 1.14 3.77 0.71 0.00 -1.26 -4.54 105.19 105.16 1nlf n GLY 244 Ca -0.13 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.43 3.10 0.09 4.61 0.00 -1.26 -4.94 121.76 120.92 1nlf s ALA 245 Ca 0.00 0.84 -0.36 0.00 0.00 0.00 0.00 51.96 52.44 1nlf s ALA 245 Cb 0.00 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.63 1nlf s ALA 245 CO 0.00 -0.40 1.44 -2.30 0.00 0.00 0.00 175.76 174.49 1nlf n PRO 246 N -0.06 1.46 -3.42 0.00 -0.02 -1.26 -4.85 135.00 126.84 1nlf n PRO 246 Ca 0.05 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.67 1nlf n PRO 246 Cb 0.48 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 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 0.81 3.28 0.19 6.00 5.36 -1.26 -5.06 117.98 127.30 1nlf s PHE 247 Ca 0.84 0.42 -0.30 0.00 -0.96 0.00 0.00 56.93 56.93 1nlf s PHE 247 Cb -0.88 -2.53 -0.08 0.00 -0.34 0.00 0.00 43.02 39.20 1nlf s PHE 247 CO 0.45 -0.16 1.08 0.00 -1.46 0.00 0.00 175.22 175.13 1nlf s ALA 248 N 1.82 3.36 0.50 11.12 0.00 -1.26 -4.70 121.76 132.61 1nlf s ALA 248 Ca 0.15 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 1nlf s ALA 248 Cb -0.15 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 1nlf s ALA 248 CO 0.09 -0.15 0.99 -0.25 0.00 0.00 0.00 175.76 176.44 1nlf n ASP 249 N 2.15 1.09 -4.32 0.00 10.43 -1.26 -4.93 116.55 119.71 1nlf n ASP 249 Ca 0.02 0.94 -0.31 0.00 2.57 0.00 0.00 54.79 58.01 1nlf n ASP 249 Cb 0.46 -1.37 -0.16 0.00 1.84 0.00 0.00 41.12 41.89 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 -2.31 2.01 -0.18 -1.24 3.00 0.69 -4.95 118.95 115.97 1nlf s ARG 250 Ca 0.68 -0.98 -0.07 0.00 0.00 0.00 0.00 55.73 55.36 1nlf s ARG 250 Cb -0.49 -2.01 -0.04 0.00 0.00 0.00 0.00 34.95 32.40 1nlf s ARG 250 CO 0.53 0.54 0.05 -1.58 0.00 0.00 0.00 175.30 174.85 1nlf s TRP 251 N -0.67 3.22 0.04 -0.53 0.52 -1.26 0.44 118.94 120.71 1nlf s TRP 251 Ca 0.10 0.01 0.08 0.00 0.02 0.00 0.00 56.10 56.32 1nlf s TRP 251 Cb -0.10 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 1nlf s TRP 251 CO -0.00 0.12 -0.20 -0.06 0.02 0.00 0.00 176.95 176.82 1nlf s PHE 252 N 0.40 2.49 -0.17 -1.98 2.99 0.19 -4.21 117.98 117.69 1nlf s PHE 252 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 56.93 56.57 1nlf s PHE 252 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 43.02 41.41 1nlf s PHE 252 CO 0.01 0.22 0.10 0.50 -0.00 0.00 0.00 175.22 176.05 1nlf s ARG 253 N -1.41 3.88 -0.20 0.44 6.06 0.19 -1.20 118.95 126.70 1nlf s ARG 253 Ca 0.14 -0.26 -0.27 0.00 -2.50 0.00 0.00 55.73 52.84 1nlf s ARG 253 Cb -0.10 -3.25 -0.01 0.00 0.06 0.00 0.00 34.95 31.65 1nlf s ARG 253 CO 0.04 0.41 0.91 1.03 -2.50 0.00 0.00 175.30 175.19 1nlf s ARG 254 N -0.00 4.27 0.16 5.12 0.52 0.15 -2.00 118.95 127.17 1nlf s ARG 254 Ca 0.08 1.13 0.02 0.00 -0.52 0.00 0.00 55.73 56.44 1nlf s ARG 254 Cb -0.12 -3.61 0.02 0.00 0.52 0.00 0.00 34.95 31.77 1nlf s ARG 254 CO 0.00 -0.46 0.16 0.72 0.02 0.00 0.00 175.30 175.75 1nlf n HIS 255 N 5.71 -2.00 -1.61 -0.53 8.25 0.88 -4.92 115.22 121.00 1nlf n HIS 255 Ca 0.07 -0.61 -0.48 0.00 -0.26 0.00 0.00 57.72 56.44 1nlf n HIS 255 Cb 0.48 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.37 1.81 0.00 0.41 8.00 -1.26 -0.09 116.55 123.04 1nlf n ASP 256 Ca 0.02 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1nlf n ASP 256 Cb 0.17 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 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 2.22 0.45 2.16 0.44 0.00 -1.26 -3.10 105.19 106.10 1nlf n GLY 257 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.77 0.86 3.68 -0.02 0.00 0.87 -4.93 105.19 103.89 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 0.98 -3.64 1.61 0.31 -1.18 -4.45 118.33 109.94 1nlf n VAL 259 Ca 0.00 -0.24 -0.37 0.00 -0.01 0.00 0.00 64.34 63.72 1nlf n VAL 259 Cb 0.00 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.30 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 -0.02 4.36 0.05 7.52 1.43 -1.26 -0.08 118.68 130.68 1nlf s LEU 260 Ca 0.67 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1nlf s LEU 260 Cb -0.62 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1nlf s LEU 260 CO 0.50 0.28 -0.08 -0.54 0.23 0.00 0.00 176.35 176.74 1nlf s LYS 261 N -0.52 0.60 0.27 1.70 -0.14 -0.84 -4.66 119.74 116.14 1nlf s LYS 261 Ca 0.18 -0.89 0.01 0.00 -1.36 0.00 0.00 55.97 53.92 1nlf s LYS 261 Cb -0.14 -0.28 0.65 0.00 -1.68 0.00 0.00 37.83 36.39 1nlf s LYS 261 CO 0.07 0.04 1.34 -2.30 -0.76 0.00 0.00 175.35 173.73 1nlf n PRO 262 N 1.13 -0.07 -1.48 -1.68 -0.02 -1.26 0.53 135.00 132.14 1nlf n PRO 262 Ca -0.20 1.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1nlf n PRO 262 Cb 0.56 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1nlf n PRO 262 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nlf n ALA 263 N -3.24 -2.28 -3.64 3.55 0.00 -1.26 -4.05 120.51 109.59 1nlf n ALA 263 Ca 0.20 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.62 1nlf n ALA 263 Cb 0.65 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.40 4.14 0.18 0.00 1.01 -1.26 -4.88 120.40 118.19 1nlf s VAL 264 Ca 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 61.98 58.77 1nlf s VAL 264 Cb 0.00 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 1nlf s VAL 264 CO 0.00 -0.96 0.44 -0.76 0.00 0.00 0.00 175.10 173.82 1nlf s LEU 265 N -0.39 4.22 -0.14 3.92 1.43 -1.26 -5.09 118.68 121.37 1nlf s LEU 265 Ca 0.20 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1nlf s LEU 265 Cb -0.16 -3.43 0.01 0.00 0.03 0.00 0.00 46.19 42.65 1nlf s LEU 265 CO -0.06 -0.01 -0.20 -1.61 0.23 0.00 0.00 176.35 174.70 1nlf s GLU 266 N -2.80 2.83 0.06 1.70 2.02 -1.26 -5.10 118.70 116.15 1nlf s GLU 266 Ca 0.43 -0.78 -0.31 0.00 0.02 0.00 0.00 54.97 54.33 1nlf s GLU 266 Cb -0.12 -2.33 -0.08 0.00 0.10 0.00 0.00 34.13 31.70 1nlf s GLU 266 CO 0.24 -0.06 1.60 0.50 0.02 0.00 0.00 175.26 177.56 1nlf s ARG 267 N 0.94 4.22 -0.73 1.61 3.52 -1.26 -4.12 118.95 123.13 1nlf s ARG 267 Ca -0.05 2.26 -0.26 0.00 -0.13 0.00 0.00 55.73 57.55 1nlf s ARG 267 Cb -0.15 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.66 1nlf s ARG 267 CO -0.04 -0.69 1.73 -0.65 -0.81 0.00 0.00 175.30 174.84 1nlf s GLN 268 N 2.51 2.80 0.06 5.12 -1.52 -0.28 -4.87 119.66 123.48 1nlf s GLN 268 Ca 0.72 0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 53.95 1nlf s GLN 268 Cb -0.38 -4.56 -0.15 0.00 -0.22 0.00 0.00 33.01 27.69 1nlf s GLN 268 CO 0.31 -2.71 1.46 0.00 -0.25 0.00 0.00 175.29 174.09 1nlf h ARG 269 N 12.84 -0.90 -5.37 2.91 3.08 -1.91 -3.38 114.38 121.65 1nlf h ARG 269 Ca -0.15 0.06 -0.61 0.00 0.07 0.00 0.00 59.98 59.35 1nlf h ARG 269 Cb 1.10 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 31.23 1nlf h ARG 269 CO 1.25 -0.60 -0.10 0.15 -1.07 0.00 0.00 179.97 179.60 1nlf s LYS 270 N -5.35 4.11 0.78 0.04 1.02 -1.26 -5.05 119.74 114.04 1nlf s LYS 270 Ca -0.15 0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.96 1nlf s LYS 270 Cb 0.03 -3.61 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1nlf s LYS 270 CO 0.49 -0.23 0.91 -1.13 -0.92 0.00 0.00 175.35 174.47 1nlf n SER 271 N 5.12 0.09 0.18 2.83 3.41 -1.26 -4.92 113.62 119.07 1nlf n SER 271 Ca -0.06 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1nlf n SER 271 Cb 0.50 -1.39 0.28 0.00 -0.26 0.00 0.00 64.21 63.35 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 -0.69 0.00 0.00 4.33 1.57 -1.93 -3.48 116.57 116.37 1nlf h LYS 272 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1nlf h LYS 272 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1nlf h LYS 272 CO 0.44 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.73 1nlf n GLY 273 N 1.08 2.48 3.29 3.86 0.00 -1.26 -5.10 105.19 109.53 1nlf n GLY 273 Ca 0.04 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 0.26 4.28 -1.34 1.61 1.01 -1.26 -5.19 120.40 119.76 1nlf s VAL 274 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1nlf s VAL 274 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1nlf s VAL 274 CO 0.00 -0.46 0.34 -2.65 0.00 0.00 0.00 175.10 172.33