#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfl n GLY 2 N 0.00 2.04 0.30 0.00 0.00 -1.26 -4.95 105.19 101.31 1pfl n GLY 2 Ca 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 1pfl n GLY 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1pfl h TRP 3 N 0.00 -0.71 -0.13 1.61 -0.00 -2.00 0.04 115.95 114.76 1pfl h TRP 3 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.98 1pfl h TRP 3 Cb 0.00 0.37 -0.01 0.00 -0.00 0.00 0.00 29.16 29.53 1pfl h TRP 3 CO 0.00 -0.34 0.22 -2.95 -0.00 0.00 0.00 178.44 175.37 1pfl h ASN 4 N -0.20 0.00 -0.06 -3.49 -1.07 -1.93 -0.79 115.58 108.03 1pfl h ASN 4 Ca 0.19 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.37 1pfl h ASN 4 Cb 0.49 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.76 1pfl h ASN 4 CO -0.51 0.00 -0.70 0.00 0.07 0.00 0.00 177.43 176.28 1pfl h ALA 5 N 1.69 0.17 0.00 4.14 0.00 -1.36 0.25 119.26 124.16 1pfl h ALA 5 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1pfl h ALA 5 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pfl h ALA 5 CO -0.00 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.41 1pfl n TYR 6 N -4.09 0.39 -0.01 0.00 4.01 -0.37 -0.39 117.16 116.70 1pfl n TYR 6 Ca -0.09 0.15 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 1pfl n TYR 6 Cb 0.71 -0.74 -0.14 0.00 -0.31 0.00 0.00 39.34 38.86 1pfl n TYR 6 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1pfl h ILE 7 N 0.00 0.89 0.00 -0.72 1.08 -0.99 -3.27 117.51 114.50 1pfl h ILE 7 Ca 0.00 -2.73 0.00 0.00 -0.39 0.00 0.00 64.86 61.74 1pfl h ILE 7 Cb 0.31 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1pfl h ILE 7 CO 0.00 0.54 0.00 0.44 -0.69 0.00 0.00 178.15 178.44 1pfl h ASP 8 N 0.01 0.00 -0.86 1.72 3.32 0.24 -1.16 116.42 119.68 1pfl h ASP 8 Ca -0.28 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1pfl h ASP 8 Cb 2.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.51 1pfl h ASP 8 CO 0.08 0.00 0.48 -1.13 -1.72 0.00 0.00 179.24 176.95 1pfl h ASN 9 N 0.00 1.08 1.06 6.45 -1.24 -1.46 -0.40 115.58 121.06 1pfl h ASN 9 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1pfl h ASN 9 Cb 0.12 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.90 1pfl h ASN 9 CO 0.00 0.86 -0.50 -0.07 -1.29 0.00 0.00 177.43 176.43 1pfl h LEU 10 N 1.21 0.00 0.04 0.34 4.07 -1.40 -0.21 115.31 119.36 1pfl h LEU 10 Ca 0.31 -0.14 -0.34 0.00 0.08 0.00 0.00 57.88 57.79 1pfl h LEU 10 Cb 0.02 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.71 1pfl h LEU 10 CO -0.05 0.07 -2.01 0.23 -1.08 0.00 0.00 178.44 175.61 1pfl n MET 11 N -2.24 0.68 0.05 1.13 2.81 -1.08 -4.28 117.12 114.18 1pfl n MET 11 Ca 0.03 0.21 -0.10 0.00 -1.81 0.00 0.00 57.70 56.04 1pfl n MET 11 Cb 0.45 -1.69 -0.13 0.00 -0.71 0.00 0.00 33.22 31.14 1pfl n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pfl h ALA 12 N 0.62 0.38 0.00 3.04 0.00 -1.12 -3.39 119.26 118.79 1pfl h ALA 12 Ca -0.41 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.47 1pfl h ALA 12 Cb 2.05 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1pfl h ALA 12 CO 0.05 1.26 0.00 -0.40 0.00 0.00 0.00 179.25 180.16 1pfl n ASP 13 N -3.33 0.00 -2.08 0.00 5.75 -0.09 -4.87 116.55 111.92 1pfl n ASP 13 Ca -0.06 0.21 -0.07 0.00 -0.01 0.00 0.00 54.79 54.86 1pfl n ASP 13 Cb 0.98 -0.23 -0.01 0.00 -1.03 0.00 0.00 41.12 40.83 1pfl n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pfl n GLY 14 N -1.16 -0.27 1.92 6.12 0.00 -1.26 -4.11 105.19 106.43 1pfl n GLY 14 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1pfl n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pfl n THR 15 N -1.73 0.00 -2.82 2.61 -1.04 -1.26 -4.99 114.28 105.05 1pfl n THR 15 Ca 0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1pfl n THR 15 Cb 0.28 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.58 1pfl n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pfl h GLN 17 N 7.50 0.20 -5.14 0.00 -0.00 -0.99 -3.42 115.11 113.27 1pfl h GLN 17 Ca -0.24 -0.35 -0.46 0.00 -0.00 0.00 0.00 58.65 57.60 1pfl h GLN 17 Cb 1.10 0.13 -0.14 0.00 0.00 0.00 0.00 27.48 28.57 1pfl h GLN 17 CO 0.89 1.02 -0.60 0.34 0.00 0.00 0.00 178.83 180.48 1pfl s ASP 18 N -6.80 2.20 -0.25 -0.69 2.15 -1.10 -4.98 116.67 107.19 1pfl s ASP 18 Ca -0.15 -1.41 -0.17 0.00 0.43 0.00 0.00 52.55 51.25 1pfl s ASP 18 Cb 0.07 0.03 0.07 0.00 -0.30 0.00 0.00 42.92 42.79 1pfl s ASP 18 CO 0.80 -0.67 0.63 0.00 -0.17 0.00 0.00 175.17 175.76 1pfl s ALA 19 N -3.37 -1.66 -0.24 3.66 0.00 -1.26 0.06 121.76 118.95 1pfl s ALA 19 Ca 0.35 2.10 -0.04 0.00 0.00 0.00 0.00 51.96 54.38 1pfl s ALA 19 Cb 0.08 -1.24 0.09 0.00 0.00 0.00 0.00 23.12 22.05 1pfl s ALA 19 CO 0.15 -0.34 0.16 0.00 0.00 0.00 0.00 175.76 175.73 1pfl s ALA 20 N 1.24 0.24 -0.08 0.00 0.00 -0.67 -1.79 121.76 120.69 1pfl s ALA 20 Ca -0.07 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 1pfl s ALA 20 Cb -0.05 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 1pfl s ALA 20 CO -0.13 -1.44 0.86 0.42 0.00 0.00 0.00 175.76 175.48 1pfl s ILE 21 N 2.19 4.91 -0.20 0.00 1.01 -0.91 -0.41 121.20 127.79 1pfl s ILE 21 Ca 0.07 1.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.46 1pfl s ILE 21 Cb -0.16 -4.19 0.06 0.00 0.01 0.00 0.00 42.46 38.18 1pfl s ILE 21 CO -0.24 0.12 -0.01 -0.69 0.00 0.00 0.00 174.94 174.13 1pfl s VAL 22 N 1.44 0.95 -0.91 2.92 1.01 -0.19 -0.91 120.40 124.71 1pfl s VAL 22 Ca 0.43 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 61.38 1pfl s VAL 22 Cb -0.18 -1.32 -0.10 0.00 0.00 0.00 0.00 36.38 34.77 1pfl s VAL 22 CO 0.19 -0.12 2.13 -0.83 0.00 0.00 0.00 175.10 176.47 1pfl s GLY 23 N 1.67 -0.30 -0.13 4.51 0.00 0.19 -1.64 107.32 111.61 1pfl s GLY 23 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1pfl s GLY 23 CO -0.07 3.84 1.51 1.58 0.00 0.00 0.00 173.10 179.95 1pfl n TYR 24 N 16.24 0.79 0.00 1.90 4.11 -1.26 -0.82 117.16 138.12 1pfl n TYR 24 Ca 0.43 -1.08 0.00 0.00 -0.00 0.00 0.00 57.90 57.25 1pfl n TYR 24 Cb 0.46 -0.54 0.00 0.00 -0.00 0.00 0.00 39.34 39.26 1pfl n TYR 24 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1pfl n LYS 25 N 0.37 1.34 -0.33 -3.48 4.01 -1.26 -4.67 118.16 114.14 1pfl n LYS 25 Ca 0.15 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.89 1pfl n LYS 25 Cb 0.71 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 35.21 1pfl n LYS 25 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 1pfl h ASP 26 N 0.00 -1.64 -3.57 4.39 2.03 -2.01 -3.29 116.42 112.34 1pfl h ASP 26 Ca 0.00 0.29 -0.65 0.00 -0.73 0.00 0.00 57.03 55.94 1pfl h ASP 26 Cb 0.00 0.78 -0.23 0.00 -0.83 0.00 0.00 39.33 39.05 1pfl h ASP 26 CO 0.00 -0.29 -0.65 -0.94 -1.03 0.00 0.00 179.24 176.33 1pfl s SER 27 N -5.33 4.95 0.65 4.15 1.04 -1.26 -5.05 113.70 112.85 1pfl s SER 27 Ca -0.13 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 55.95 1pfl s SER 27 Cb 0.16 -1.88 -0.02 0.00 0.10 0.00 0.00 66.02 64.38 1pfl s SER 27 CO 0.67 -0.02 1.05 -2.16 0.98 0.00 0.00 173.24 173.76 1pfl s PRO 28 N 1.50 3.31 0.08 4.02 0.04 -1.24 -4.74 135.00 137.98 1pfl s PRO 28 Ca 0.06 0.72 -0.27 0.00 0.04 0.00 0.00 61.00 61.55 1pfl s PRO 28 Cb -0.15 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.42 1pfl s PRO 28 CO 0.02 -0.77 0.88 -1.54 0.04 0.00 0.00 177.00 175.63 1pfl s SER 29 N -4.15 -0.31 -0.57 6.66 1.04 0.00 -4.81 113.70 111.56 1pfl s SER 29 Ca 0.56 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.61 1pfl s SER 29 Cb -0.12 0.46 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1pfl s SER 29 CO 0.54 -0.78 0.79 -0.69 0.98 0.00 0.00 173.24 174.07 1pfl s VAL 30 N -3.27 4.63 0.32 5.02 1.01 -1.26 0.54 120.40 127.39 1pfl s VAL 30 Ca 0.08 -0.44 0.13 0.00 0.00 0.00 0.00 61.98 61.75 1pfl s VAL 30 Cb -0.01 -4.49 0.07 0.00 0.00 0.00 0.00 36.38 31.95 1pfl s VAL 30 CO -0.05 -1.11 1.76 -0.50 0.00 0.00 0.00 175.10 175.21 1pfl h TRP 31 N 9.25 0.00 -0.05 5.22 4.06 -1.33 -3.42 115.95 129.67 1pfl h TRP 31 Ca -0.28 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.76 1pfl h TRP 31 Cb 1.08 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.08 1pfl h TRP 31 CO 0.86 0.44 -0.05 0.00 -3.56 0.00 0.00 178.44 176.12 1pfl s ALA 32 N -3.93 -4.90 -0.07 1.49 0.00 -0.78 -4.97 121.76 108.59 1pfl s ALA 32 Ca -0.02 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.05 1pfl s ALA 32 Cb 0.13 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.20 1pfl s ALA 32 CO 0.73 -2.57 -0.22 0.00 0.00 0.00 0.00 175.76 173.69 1pfl s ALA 33 N 1.39 1.96 -0.51 0.00 0.00 -1.26 -2.14 121.76 121.20 1pfl s ALA 33 Ca 0.19 -0.90 -0.35 0.00 0.00 0.00 0.00 51.96 50.90 1pfl s ALA 33 Cb 0.11 -0.67 -0.14 0.00 0.00 0.00 0.00 23.12 22.42 1pfl s ALA 33 CO -0.14 0.32 2.29 0.28 0.00 0.00 0.00 175.76 178.52 1pfl n VAL 34 N 3.23 0.09 -2.23 0.00 0.31 -0.74 -4.77 118.33 114.22 1pfl n VAL 34 Ca -0.18 -0.22 -0.35 0.00 -0.01 0.00 0.00 64.34 63.58 1pfl n VAL 34 Cb 0.52 -1.33 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 1pfl n VAL 34 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pfl s PRO 35 N 6.86 3.32 0.00 5.55 0.04 -1.26 -3.44 135.00 146.07 1pfl s PRO 35 Ca 1.15 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1pfl s PRO 35 Cb -0.99 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1pfl s PRO 35 CO 0.50 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1pfl n GLY 36 N 0.20 2.19 0.00 0.56 0.00 -1.26 -5.02 105.19 101.87 1pfl n GLY 36 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1pfl n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfl n LYS 37 N -2.00 0.00 0.00 1.61 4.76 -1.22 -5.09 118.16 116.22 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pfl n LYS 37 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1pfl n THR 38 N 0.00 0.00 -0.28 -0.18 -1.04 -1.26 -4.90 114.28 106.62 1pfl n THR 38 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1pfl n THR 38 Cb 0.00 -0.24 0.07 0.00 -1.82 0.00 0.00 70.33 68.34 1pfl n THR 38 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1pfl h PHE 39 N 0.00 0.96 0.00 -1.42 -1.00 -1.90 -2.13 116.94 111.45 1pfl h PHE 39 Ca 0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1pfl h PHE 39 Cb 0.15 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.39 1pfl h PHE 39 CO 0.00 0.60 0.29 -0.24 -1.61 0.00 0.00 178.31 177.34 1pfl h VAL 40 N 1.03 0.00 -0.36 -0.55 3.04 -1.86 0.42 116.25 117.97 1pfl h VAL 40 Ca 0.28 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.81 1pfl h VAL 40 Cb -0.10 0.70 -0.10 0.00 -2.01 0.00 0.00 31.29 29.78 1pfl h VAL 40 CO -0.07 0.00 0.20 0.59 -1.01 0.00 0.00 177.57 177.29 1pfl n ASN 41 N -2.88 3.21 -4.69 3.17 3.02 -0.80 -4.77 115.26 111.50 1pfl n ASN 41 Ca -0.02 -2.58 -0.42 0.00 -0.03 0.00 0.00 54.58 51.53 1pfl n ASN 41 Cb 0.34 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pfl s ILE 42 N -1.39 4.76 0.52 2.41 1.01 0.15 -4.23 121.20 124.42 1pfl s ILE 42 Ca 0.22 2.01 0.02 0.00 0.00 0.00 0.00 60.65 62.90 1pfl s ILE 42 Cb 0.18 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.39 1pfl s ILE 42 CO 0.05 0.05 0.19 0.35 0.00 0.00 0.00 174.94 175.58 1pfl n THR 43 N 4.34 0.00 0.90 2.92 -2.24 -1.26 -4.62 114.28 114.32 1pfl n THR 43 Ca 0.08 -2.27 0.07 0.00 -2.27 0.00 0.00 64.05 59.67 1pfl n THR 43 Cb 0.49 0.24 0.43 0.00 -2.10 0.00 0.00 70.33 69.39 1pfl n THR 43 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1pfl n PRO 44 N -1.49 0.44 -0.04 -0.78 -0.04 -1.26 -1.78 135.00 130.06 1pfl n PRO 44 Ca -0.12 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 1pfl n PRO 44 Cb 0.63 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1pfl n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pfl h ALA 45 N 2.90 0.00 -0.42 0.55 0.00 -1.95 0.44 119.26 120.78 1pfl h ALA 45 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1pfl h ALA 45 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pfl h ALA 45 CO 0.00 0.11 0.19 1.05 0.00 0.00 0.00 179.25 180.60 1pfl h GLU 46 N -0.67 0.58 0.00 0.00 9.09 -1.78 0.90 114.58 122.71 1pfl h GLU 46 Ca 0.00 -0.07 -0.07 0.00 0.05 0.00 0.00 59.36 59.27 1pfl h GLU 46 Cb 0.11 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1pfl h GLU 46 CO 0.00 0.46 -0.38 0.28 0.05 0.00 0.00 179.01 179.42 1pfl h VAL 47 N 0.58 0.57 0.00 -1.06 2.07 -1.49 -2.41 116.25 114.51 1pfl h VAL 47 Ca 0.15 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1pfl h VAL 47 Cb 0.08 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1pfl h VAL 47 CO -0.02 0.33 -0.04 1.23 0.02 0.00 0.00 177.57 179.09 1pfl h GLY 48 N 3.67 0.00 0.19 2.17 0.00 0.24 0.49 103.07 109.83 1pfl h GLY 48 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 1pfl h GLY 48 CO 0.04 0.00 -2.31 1.55 0.00 0.00 0.00 176.54 175.82 1pfl n VAL 49 N -4.21 1.54 0.31 4.60 3.14 -1.05 0.09 118.33 122.76 1pfl n VAL 49 Ca -0.03 -0.66 0.12 0.00 -2.96 0.00 0.00 64.34 60.81 1pfl n VAL 49 Cb 0.12 -1.26 0.55 0.00 -1.06 0.00 0.00 33.84 32.20 1pfl n VAL 49 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1pfl h LEU 50 N 0.01 0.00 0.00 6.55 3.38 -1.19 -3.30 115.31 120.77 1pfl h LEU 50 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1pfl h LEU 50 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1pfl h LEU 50 CO -0.02 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.84 1pfl n VAL 51 N -2.31 0.00 -1.39 1.22 0.24 0.14 -5.04 118.33 111.19 1pfl n VAL 51 Ca 0.01 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.95 1pfl n VAL 51 Cb 0.16 1.06 0.08 0.00 -1.47 0.00 0.00 33.84 33.67 1pfl n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pfl n GLY 52 N 0.00 -0.64 0.25 7.63 0.00 0.11 -4.82 105.19 107.73 1pfl n GLY 52 Ca 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 46.02 45.88 1pfl n GLY 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pfl h LYS 53 N -0.13 0.00 -6.45 1.61 5.09 -1.94 -3.43 116.57 111.31 1pfl h LYS 53 Ca -0.47 0.00 -0.62 0.00 0.09 0.00 0.00 60.65 59.65 1pfl h LYS 53 Cb 1.34 0.00 0.08 0.00 0.10 0.00 0.00 32.23 33.75 1pfl h LYS 53 CO 0.47 0.00 0.45 -3.47 -2.09 0.00 0.00 179.45 174.80 1pfl n ASP 54 N -2.65 2.05 -2.59 7.07 -0.08 -1.26 -4.92 116.55 114.17 1pfl n ASP 54 Ca -0.02 1.14 -0.11 0.00 -1.51 0.00 0.00 54.79 54.29 1pfl n ASP 54 Cb 0.09 -1.32 0.03 0.00 2.34 0.00 0.00 41.12 42.26 1pfl n ASP 54 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1pfl n ARG 55 N 1.94 2.13 0.03 -0.67 0.63 -1.26 -4.92 116.66 114.54 1pfl n ARG 55 Ca 0.14 -3.69 0.00 0.00 -0.92 0.00 0.00 57.85 53.37 1pfl n ARG 55 Cb 0.28 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.48 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pfl n SER 56 N -0.44 -0.56 0.00 6.15 2.88 -1.26 -5.05 113.62 115.33 1pfl n SER 56 Ca 0.19 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1pfl n SER 56 Cb 0.82 0.77 0.00 0.00 -0.75 0.00 0.00 64.21 65.04 1pfl n SER 56 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pfl n SER 57 N -2.50 0.00 0.13 -3.46 3.41 -1.26 -3.26 113.62 106.67 1pfl n SER 57 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1pfl n SER 57 Cb 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 1pfl n SER 57 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1pfl n PHE 58 N 0.00 0.00 0.07 7.33 1.16 -1.26 -1.72 117.46 123.04 1pfl n PHE 58 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1pfl n PHE 58 Cb 0.00 -0.08 0.04 0.00 -1.61 0.00 0.00 39.48 37.83 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1pfl n TYR 59 N -2.47 0.00 0.00 2.97 4.01 -1.20 -1.41 117.16 119.06 1pfl n TYR 59 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1pfl n TYR 59 Cb 1.02 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1pfl n TYR 59 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pfl n VAL 60 N -1.39 0.00 0.03 -0.72 0.24 -0.70 -4.59 118.33 111.21 1pfl n VAL 60 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1pfl n VAL 60 Cb 0.02 -0.76 -0.13 0.00 -1.47 0.00 0.00 33.84 31.49 1pfl n VAL 60 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pfl h ASN 61 N 0.00 0.06 -2.44 -1.34 7.08 -1.67 -3.47 115.58 113.80 1pfl h ASN 61 Ca 0.00 -0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 1pfl h ASN 61 Cb 0.93 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 1pfl h ASN 61 CO 0.00 1.08 0.00 0.61 -2.08 0.00 0.00 177.43 177.04 1pfl n GLY 62 N 1.48 2.98 0.00 9.14 0.00 -0.50 -4.76 105.19 113.52 1pfl n GLY 62 Ca -0.09 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1pfl n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pfl n LEU 63 N 0.00 0.00 -3.64 0.99 4.77 0.29 -4.65 117.00 114.76 1pfl n LEU 63 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1pfl n LEU 63 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1pfl n LEU 63 CO 0.00 -0.08 0.42 0.42 -1.33 0.00 0.00 177.39 176.83 1pfl s THR 64 N 0.00 0.00 -0.29 -5.08 -4.23 -1.26 -2.45 115.64 102.33 1pfl s THR 64 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1pfl s THR 64 Cb 0.00 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.94 1pfl s THR 64 CO 0.00 0.00 0.09 -1.48 -0.54 0.00 0.00 174.62 172.69 1pfl s LEU 65 N 1.35 1.90 -0.32 4.79 0.05 -0.88 -4.41 118.68 121.15 1pfl s LEU 65 Ca -0.08 -1.50 0.00 0.00 0.05 0.00 0.00 54.13 52.60 1pfl s LEU 65 Cb -0.05 -0.77 0.00 0.00 -2.05 0.00 0.00 46.19 43.32 1pfl s LEU 65 CO -0.15 -0.41 0.00 0.61 -0.55 0.00 0.00 176.35 175.85 1pfl n GLY 66 N 4.92 0.25 1.81 -3.48 0.00 -1.25 -2.60 105.19 104.84 1pfl n GLY 66 Ca -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1pfl n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 67 N -1.11 0.54 3.19 -0.02 0.00 -1.26 -4.91 105.19 101.62 1pfl n GLY 67 Ca -0.04 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1pfl n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pfl s GLN 68 N -0.26 2.36 -0.17 1.61 2.00 -1.07 -5.05 119.66 119.07 1pfl s GLN 68 Ca 0.00 -1.75 -0.32 0.00 -2.00 0.00 0.00 55.36 51.30 1pfl s GLN 68 Cb 0.00 -3.81 -0.09 0.00 0.80 0.00 0.00 33.01 29.91 1pfl s GLN 68 CO 0.00 -1.13 2.07 1.17 -0.50 0.00 0.00 175.29 176.90 1pfl n LYS 69 N 4.82 1.99 -4.25 1.67 4.81 -1.26 -2.07 118.16 123.88 1pfl n LYS 69 Ca -0.07 0.65 -0.24 0.00 -0.87 0.00 0.00 58.31 57.79 1pfl n LYS 69 Cb 0.41 -2.86 -0.07 0.00 0.02 0.00 0.00 35.03 32.53 1pfl n LYS 69 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pfl s SER 71 N -3.50 4.82 -0.30 0.00 1.04 -0.24 0.10 113.70 115.62 1pfl s SER 71 Ca 0.30 -0.99 -0.39 0.00 0.48 0.00 0.00 55.95 55.36 1pfl s SER 71 Cb -0.07 -1.76 -0.15 0.00 0.10 0.00 0.00 66.02 64.14 1pfl s SER 71 CO 0.20 -0.21 1.89 0.52 0.98 0.00 0.00 173.24 176.63 1pfl n VAL 72 N 4.73 0.28 -3.69 5.02 0.31 -1.25 -1.91 118.33 121.82 1pfl n VAL 72 Ca -0.14 -0.11 -0.28 0.00 -0.01 0.00 0.00 64.34 63.81 1pfl n VAL 72 Cb 0.46 -1.32 -0.10 0.00 -0.91 0.00 0.00 33.84 31.96 1pfl n VAL 72 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1pfl n ILE 73 N 5.42 1.83 -0.34 2.52 5.41 0.28 -4.84 119.36 129.65 1pfl n ILE 73 Ca 0.32 -4.97 0.00 0.00 1.00 0.00 0.00 62.75 59.10 1pfl n ILE 73 Cb 0.15 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 36.94 1pfl n ILE 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pfl n ARG 74 N 1.52 0.00 -3.08 0.38 0.63 -1.26 -3.47 116.66 111.38 1pfl n ARG 74 Ca 0.24 0.11 -0.44 0.00 -0.92 0.00 0.00 57.85 56.84 1pfl n ARG 74 Cb 0.38 -0.22 -0.05 0.00 0.45 0.00 0.00 32.46 33.02 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1pfl s ASP 75 N 0.00 6.20 0.00 6.15 2.15 -1.26 -1.86 116.67 128.04 1pfl s ASP 75 Ca 0.00 -1.18 0.06 0.00 0.43 0.00 0.00 52.55 51.86 1pfl s ASP 75 Cb 0.00 -2.32 0.11 0.00 -0.30 0.00 0.00 42.92 40.41 1pfl s ASP 75 CO 0.00 -1.11 0.94 -0.24 -0.17 0.00 0.00 175.17 174.59 1pfl n SER 76 N 6.53 2.06 -0.50 -0.34 2.88 -0.11 -4.75 113.62 119.39 1pfl n SER 76 Ca -0.07 -1.67 0.40 0.00 -1.33 0.00 0.00 58.87 56.20 1pfl n SER 76 Cb 0.44 -0.07 0.65 0.00 -0.75 0.00 0.00 64.21 64.48 1pfl n SER 76 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pfl n LEU 77 N 0.18 0.12 -4.63 2.46 7.94 -1.16 -0.02 117.00 121.88 1pfl n LEU 77 Ca 0.05 1.12 -0.39 0.00 -1.11 0.00 0.00 56.01 55.68 1pfl n LEU 77 Cb 0.26 -0.55 -0.08 0.00 0.53 0.00 0.00 43.42 43.58 1pfl n LEU 77 CO 0.04 -1.19 0.11 -0.76 -1.11 0.00 0.00 177.39 174.49 1pfl s LEU 78 N -8.44 4.08 -0.35 -1.96 1.43 -1.26 -4.21 118.68 107.97 1pfl s LEU 78 Ca -0.06 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 1pfl s LEU 78 Cb 0.26 -2.50 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 1pfl s LEU 78 CO 0.76 -0.17 1.35 0.00 0.23 0.00 0.00 176.35 178.52 1pfl n GLN 79 N 5.07 0.03 -1.07 1.70 0.00 -1.25 -4.17 117.38 117.69 1pfl n GLN 79 Ca -0.08 -0.62 -0.11 0.00 0.00 0.00 0.00 57.00 56.19 1pfl n GLN 79 Cb 0.51 -2.06 0.26 0.00 0.00 0.00 0.00 30.24 28.95 1pfl n GLN 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1pfl n ASP 80 N 9.75 4.36 0.00 2.61 -0.08 -1.26 -4.73 116.55 127.19 1pfl n ASP 80 Ca 0.16 -3.38 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1pfl n ASP 80 Cb 0.46 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pfl n GLY 81 N -0.53 1.38 2.16 0.27 0.00 -1.26 -4.95 105.19 102.24 1pfl n GLY 81 Ca 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1pfl n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pfl n GLU 82 N -1.47 0.00 -0.61 1.61 4.71 -1.26 -5.01 120.64 118.61 1pfl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1pfl n GLU 82 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.49 1pfl n GLU 82 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1pfl n PHE 83 N -3.46 0.00 -3.36 -0.32 -1.74 0.96 -4.88 117.46 104.67 1pfl n PHE 83 Ca 0.00 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.51 1pfl n PHE 83 Cb 0.00 -1.56 -0.06 0.00 1.52 0.00 0.00 39.48 39.37 1pfl n PHE 83 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1pfl s SER 84 N -1.82 6.66 -0.03 5.98 1.04 -1.20 -1.76 113.70 122.56 1pfl s SER 84 Ca 0.00 0.78 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 1pfl s SER 84 Cb 0.00 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.88 1pfl s SER 84 CO 0.00 0.04 0.03 -0.32 0.98 0.00 0.00 173.24 173.96 1pfl s MET 85 N 0.49 0.11 0.20 4.02 0.00 -0.18 -0.93 119.30 123.02 1pfl s MET 85 Ca 0.24 0.21 -0.10 0.00 0.00 0.00 0.00 55.69 56.04 1pfl s MET 85 Cb -0.15 -0.47 -0.07 0.00 0.00 0.00 0.00 34.83 34.14 1pfl s MET 85 CO 0.10 -0.22 0.53 -0.51 0.00 0.00 0.00 175.02 174.91 1pfl s ASP 86 N 1.49 6.64 -0.29 1.11 1.11 -0.78 -0.63 116.67 125.31 1pfl s ASP 86 Ca -0.03 0.90 -0.03 0.00 0.18 0.00 0.00 52.55 53.56 1pfl s ASP 86 Cb -0.13 -2.22 0.17 0.00 1.07 0.00 0.00 42.92 41.81 1pfl s ASP 86 CO -0.03 -0.03 0.58 -1.48 1.18 0.00 0.00 175.17 175.39 1pfl s LEU 87 N -2.66 -1.23 -0.09 1.23 -0.00 -0.84 0.10 118.68 115.20 1pfl s LEU 87 Ca 0.45 0.94 0.03 0.00 -0.00 0.00 0.00 54.13 55.56 1pfl s LEU 87 Cb -0.12 2.04 -0.01 0.00 -0.00 0.00 0.00 46.19 48.10 1pfl s LEU 87 CO 0.21 -0.26 -0.19 0.00 -0.00 0.00 0.00 176.35 176.11 1pfl s ARG 88 N 2.82 2.88 -0.71 1.48 1.70 -0.80 -2.28 118.95 124.04 1pfl s ARG 88 Ca 0.14 -0.80 -0.26 0.00 -0.47 0.00 0.00 55.73 54.34 1pfl s ARG 88 Cb -0.14 -2.37 -0.12 0.00 -0.57 0.00 0.00 34.95 31.75 1pfl s ARG 88 CO -0.20 0.34 2.42 0.25 -1.08 0.00 0.00 175.30 177.03 1pfl n THR 89 N 3.10 -0.03 -1.46 4.99 -2.24 0.19 -1.08 114.28 117.75 1pfl n THR 89 Ca -0.18 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 60.73 1pfl n THR 89 Cb 0.52 -2.21 0.15 0.00 -2.10 0.00 0.00 70.33 66.70 1pfl n THR 89 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1pfl s LYS 90 N 8.75 0.81 0.30 -0.78 1.02 -1.26 -1.77 119.74 126.80 1pfl s LYS 90 Ca 0.95 0.26 0.09 0.00 0.02 0.00 0.00 55.97 57.29 1pfl s LYS 90 Cb -0.15 -1.80 -0.06 0.00 -0.52 0.00 0.00 37.83 35.30 1pfl s LYS 90 CO 0.13 -2.41 -0.10 0.45 -0.92 0.00 0.00 175.35 172.50 1pfl s SER 91 N -3.96 3.21 -0.89 2.83 0.15 -1.26 -4.76 113.70 109.02 1pfl s SER 91 Ca 0.65 -1.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 1pfl s SER 91 Cb -0.15 -0.25 0.25 0.00 -1.71 0.00 0.00 66.02 64.17 1pfl s SER 91 CO 0.54 -0.22 0.97 0.35 1.20 0.00 0.00 173.24 176.08 1pfl n THR 92 N -0.64 3.52 -2.89 6.45 -2.24 -1.26 -4.89 114.28 112.32 1pfl n THR 92 Ca -0.05 -5.37 -0.02 0.00 -2.27 0.00 0.00 64.05 56.34 1pfl n THR 92 Cb 0.63 -2.24 -0.02 0.00 -2.10 0.00 0.00 70.33 66.60 1pfl n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pfl n GLY 93 N 1.69 -2.40 0.00 3.38 0.00 -1.26 -4.23 105.19 102.37 1pfl n GLY 93 Ca 0.25 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1pfl n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 94 N 1.75 2.51 3.72 -0.02 0.00 -1.26 -5.07 105.19 106.81 1pfl n GLY 94 Ca -0.14 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1pfl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfl s ALA 95 N -1.35 1.50 -0.09 4.61 0.00 -1.26 -5.02 121.76 120.16 1pfl s ALA 95 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.67 1pfl s ALA 95 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1pfl s ALA 95 CO 0.00 -2.39 0.49 -1.25 0.00 0.00 0.00 175.76 172.61 1pfl s PRO 96 N -4.95 4.29 0.27 0.00 0.04 -1.26 -4.71 135.00 128.69 1pfl s PRO 96 Ca 0.64 0.49 0.06 0.00 0.04 0.00 0.00 61.00 62.22 1pfl s PRO 96 Cb -0.18 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 1pfl s PRO 96 CO 0.57 0.24 0.39 0.95 0.04 0.00 0.00 177.00 179.19 1pfl s THR 97 N 0.33 4.83 -0.21 1.26 -4.23 -1.26 -4.58 115.64 111.77 1pfl s THR 97 Ca 0.27 -1.02 -0.04 0.00 -1.18 0.00 0.00 61.69 59.72 1pfl s THR 97 Cb -0.16 -3.69 0.09 0.00 1.34 0.00 0.00 72.50 70.08 1pfl s THR 97 CO 0.12 -0.27 0.18 -0.36 -0.54 0.00 0.00 174.62 173.74 1pfl s PHE 98 N -2.05 -0.08 -0.05 3.99 0.08 -0.73 -4.38 117.98 114.75 1pfl s PHE 98 Ca 0.37 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 57.12 1pfl s PHE 98 Cb -0.09 -0.54 -0.05 0.00 -0.57 0.00 0.00 43.02 41.77 1pfl s PHE 98 CO 0.29 -0.63 0.52 -0.80 -0.10 0.00 0.00 175.22 174.50 1pfl s ASN 99 N 2.25 6.83 0.21 1.36 0.01 0.10 -0.64 114.94 125.06 1pfl s ASN 99 Ca 0.06 0.98 0.11 0.00 -0.71 0.00 0.00 52.86 53.30 1pfl s ASN 99 Cb -0.16 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1pfl s ASN 99 CO -0.16 0.08 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.64 1pfl s VAL 100 N 0.06 2.64 0.20 1.60 1.01 -0.96 0.11 120.40 125.06 1pfl s VAL 100 Ca 0.28 -2.01 0.09 0.00 0.00 0.00 0.00 61.98 60.33 1pfl s VAL 100 Cb -0.17 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1pfl s VAL 100 CO 0.14 -0.19 -0.17 -0.89 0.00 0.00 0.00 175.10 173.99 1pfl s THR 101 N -1.88 1.86 -0.15 3.92 2.01 -0.33 -1.98 115.64 119.09 1pfl s THR 101 Ca 0.24 -2.12 -0.06 0.00 0.31 0.00 0.00 61.69 60.07 1pfl s THR 101 Cb -0.07 -1.99 0.07 0.00 0.01 0.00 0.00 72.50 70.51 1pfl s THR 101 CO 0.13 -0.46 0.31 -0.69 -0.69 0.00 0.00 174.62 173.22 1pfl s VAL 102 N -2.54 -0.42 -0.14 3.82 1.01 0.19 -0.80 120.40 121.52 1pfl s VAL 102 Ca 0.21 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.39 1pfl s VAL 102 Cb -0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1pfl s VAL 102 CO 0.08 0.10 -0.05 0.42 0.00 0.00 0.00 175.10 175.64 1pfl s THR 103 N 2.31 3.76 -0.17 3.92 -4.23 -0.35 -1.01 115.64 119.88 1pfl s THR 103 Ca -0.01 -0.41 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1pfl s THR 103 Cb -0.12 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 1pfl s THR 103 CO -0.10 0.51 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.68 1pfl s LYS 104 N 0.22 3.51 0.00 3.99 2.47 -0.72 -1.19 119.74 128.02 1pfl s LYS 104 Ca -0.03 -0.59 0.00 0.00 -1.56 0.00 0.00 55.97 53.78 1pfl s LYS 104 Cb -0.14 -2.88 0.00 0.00 -1.46 0.00 0.00 37.83 33.34 1pfl s LYS 104 CO 0.03 0.09 0.00 0.25 0.16 0.00 0.00 175.35 175.88 1pfl n THR 105 N 3.96 0.00 0.37 3.43 -2.24 -0.97 -4.73 114.28 114.09 1pfl n THR 105 Ca -0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1pfl n THR 105 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 1pfl n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pfl n ASP 106 N 0.00 0.40 -0.63 3.42 2.03 -1.26 -4.62 116.55 115.89 1pfl n ASP 106 Ca 0.00 -0.32 -0.00 0.00 0.52 0.00 0.00 54.79 54.99 1pfl n ASP 106 Cb 0.00 1.50 -0.01 0.00 -0.72 0.00 0.00 41.12 41.90 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pfl n LYS 107 N -2.01 0.00 -3.89 -0.67 5.02 -1.25 -5.08 118.16 110.29 1pfl n LYS 107 Ca -0.01 -0.63 -0.11 0.00 -2.02 0.00 0.00 58.31 55.55 1pfl n LYS 107 Cb 0.48 -0.13 -0.10 0.00 -0.02 0.00 0.00 35.03 35.26 1pfl n LYS 107 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1pfl s THR 108 N 0.00 0.09 -0.51 -0.18 -4.23 -1.26 -4.49 115.64 105.06 1pfl s THR 108 Ca 0.03 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.80 1pfl s THR 108 Cb 0.03 -0.51 0.14 0.00 1.34 0.00 0.00 72.50 73.50 1pfl s THR 108 CO -0.01 -0.43 0.28 -0.22 -0.54 0.00 0.00 174.62 173.70 1pfl s LEU 109 N -1.53 3.90 0.21 4.79 1.98 -0.65 -2.30 118.68 125.07 1pfl s LEU 109 Ca -0.13 -2.99 -0.24 0.00 -2.89 0.00 0.00 54.13 47.88 1pfl s LEU 109 Cb -0.07 -1.47 -0.08 0.00 0.66 0.00 0.00 46.19 45.23 1pfl s LEU 109 CO 0.00 -0.23 0.79 -0.69 -1.89 0.00 0.00 176.35 174.33 1pfl s VAL 110 N -0.23 4.40 0.13 1.68 1.01 -0.33 -1.02 120.40 126.04 1pfl s VAL 110 Ca 0.18 1.60 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1pfl s VAL 110 Cb -0.23 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1pfl s VAL 110 CO -0.02 0.38 -0.17 -0.76 0.00 0.00 0.00 175.10 174.53 1pfl s LEU 111 N -1.52 2.38 -0.25 3.92 1.43 0.45 -1.21 118.68 123.89 1pfl s LEU 111 Ca 0.40 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1pfl s LEU 111 Cb -0.21 -0.69 0.07 0.00 0.03 0.00 0.00 46.19 45.40 1pfl s LEU 111 CO 0.24 -0.07 0.03 -0.22 0.23 0.00 0.00 176.35 176.56 1pfl s LEU 112 N -2.35 2.05 -0.00 1.79 1.98 0.02 -1.67 118.68 120.50 1pfl s LEU 112 Ca 0.10 -1.22 -0.12 0.00 -2.89 0.00 0.00 54.13 49.99 1pfl s LEU 112 Cb -0.07 -0.89 -0.05 0.00 0.66 0.00 0.00 46.19 45.84 1pfl s LEU 112 CO 0.04 -0.32 0.36 -0.32 -1.89 0.00 0.00 176.35 174.22 1pfl s MET 113 N 1.61 3.79 -0.04 1.98 -2.45 0.11 -1.19 119.30 123.12 1pfl s MET 113 Ca 0.01 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.73 1pfl s MET 113 Cb -0.18 -3.16 0.01 0.00 1.25 0.00 0.00 34.83 32.75 1pfl s MET 113 CO -0.12 0.68 -0.08 0.20 1.05 0.00 0.00 175.02 176.74 1pfl s GLY 114 N -1.25 0.56 0.25 2.11 0.00 0.12 -0.43 107.32 108.67 1pfl s GLY 114 Ca 0.25 -0.26 0.10 0.00 0.00 0.00 0.00 44.72 44.80 1pfl s GLY 114 CO 0.13 0.11 -0.06 0.54 0.00 0.00 0.00 173.10 173.82 1pfl s LYS 115 N 0.50 2.12 0.00 2.90 1.02 -1.14 0.02 119.74 125.16 1pfl s LYS 115 Ca -0.08 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.45 1pfl s LYS 115 Cb -0.12 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1pfl s LYS 115 CO 0.01 0.37 0.00 -1.91 -0.92 0.00 0.00 175.35 172.90 1pfl n GLU 116 N -0.64 0.00 -1.13 1.68 4.07 -1.26 -3.31 120.64 120.05 1pfl n GLU 116 Ca -0.07 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.99 1pfl n GLU 116 Cb 0.58 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.95 1pfl n GLU 116 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pfl n GLY 117 N 0.00 0.67 3.32 8.31 0.00 -1.26 -4.88 105.19 111.35 1pfl n GLY 117 Ca 0.00 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 1pfl n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfl s VAL 118 N -1.96 4.94 0.01 1.61 0.11 -1.21 -4.86 120.40 119.05 1pfl s VAL 118 Ca 0.00 -1.36 -0.02 0.00 -2.93 0.00 0.00 61.98 57.67 1pfl s VAL 118 Cb 0.00 -4.07 -0.27 0.00 -1.53 0.00 0.00 36.38 30.51 1pfl s VAL 118 CO 0.00 -0.69 0.87 -0.74 -3.33 0.00 0.00 175.10 171.21 1pfl h HIS 119 N 8.71 0.41 0.00 1.54 2.76 -1.92 -3.44 115.15 123.21 1pfl h HIS 119 Ca -0.27 -0.30 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 1pfl h HIS 119 Cb 1.10 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1pfl h HIS 119 CO 0.66 1.35 0.00 0.41 -1.30 0.00 0.00 177.93 179.05 1pfl n GLY 120 N 1.65 0.34 0.14 5.26 0.00 -1.26 -4.93 105.19 106.39 1pfl n GLY 120 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1pfl n GLY 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pfl h GLY 121 N 0.00 0.47 1.53 -0.02 0.00 -1.97 -1.18 103.07 101.91 1pfl h GLY 121 Ca 0.00 -1.21 -0.19 0.00 0.00 0.00 0.00 47.33 45.93 1pfl h GLY 121 CO 0.00 1.06 -0.74 1.41 0.00 0.00 0.00 176.54 178.27 1pfl h LEU 122 N 0.11 0.54 -0.61 3.11 -0.00 -1.98 -1.10 115.31 115.39 1pfl h LEU 122 Ca -0.32 -0.36 -0.13 0.00 -0.00 0.00 0.00 57.88 57.07 1pfl h LEU 122 Cb 2.11 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 42.60 1pfl h LEU 122 CO 0.20 1.11 -0.31 0.40 -0.00 0.00 0.00 178.44 179.83 1pfl h ILE 123 N 0.31 1.28 0.00 1.22 2.04 -1.97 0.20 117.51 120.59 1pfl h ILE 123 Ca -0.03 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.32 1pfl h ILE 123 Cb 1.32 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1pfl h ILE 123 CO 0.13 0.48 -0.22 -1.13 0.00 0.00 0.00 178.15 177.41 1pfl h ASN 124 N 0.65 0.00 1.28 1.72 -1.24 -0.92 0.54 115.58 117.62 1pfl h ASN 124 Ca 0.07 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.96 1pfl h ASN 124 Cb 0.84 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.87 1pfl h ASN 124 CO 0.07 0.22 -0.74 0.11 -1.29 0.00 0.00 177.43 175.80 1pfl h LYS 125 N 0.00 0.00 0.00 6.67 1.79 -0.37 -2.62 116.57 122.04 1pfl h LYS 125 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1pfl h LYS 125 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1pfl h LYS 125 CO 0.03 0.48 -0.48 1.63 -1.08 0.00 0.00 179.45 180.03 1pfl n LYS 126 N -3.15 0.10 -0.01 3.15 5.02 0.62 -2.32 118.16 121.57 1pfl n LYS 126 Ca -0.01 0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 1pfl n LYS 126 Cb 0.77 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 34.07 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pfl h TYR 128 N 0.02 0.27 0.18 0.00 3.20 -1.51 -1.87 116.97 117.25 1pfl h TYR 128 Ca -0.30 -0.10 -0.31 0.00 3.14 0.00 0.00 58.73 61.16 1pfl h TYR 128 Cb 2.01 -0.05 0.02 0.00 1.54 0.00 0.00 36.73 40.25 1pfl h TYR 128 CO 0.02 0.75 -1.43 0.93 -1.64 0.00 0.00 178.16 176.79 1pfl h GLU 129 N 0.16 0.39 -0.31 1.82 5.08 -1.52 0.12 114.58 120.31 1pfl h GLU 129 Ca -0.01 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1pfl h GLU 129 Cb 1.09 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1pfl h GLU 129 CO 0.09 1.30 0.20 1.98 -1.00 0.00 0.00 179.01 181.59 1pfl h MET 130 N 0.11 0.42 0.00 2.33 4.05 -1.25 -1.18 114.93 119.40 1pfl h MET 130 Ca -0.22 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1pfl h MET 130 Cb 2.07 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.78 1pfl h MET 130 CO 0.23 0.30 0.00 0.00 0.23 0.00 0.00 176.91 177.66 1pfl h ALA 131 N 1.10 1.00 -0.28 0.39 0.00 -1.42 -3.04 119.26 117.00 1pfl h ALA 131 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1pfl h ALA 131 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1pfl h ALA 131 CO -0.02 0.00 -0.01 0.77 0.00 0.00 0.00 179.25 179.99 1pfl h SER 132 N 0.00 0.40 0.37 0.00 0.02 0.31 0.44 113.55 115.07 1pfl h SER 132 Ca 0.00 -0.07 -0.32 0.00 -0.84 0.00 0.00 61.79 60.57 1pfl h SER 132 Cb 0.76 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.22 1pfl h SER 132 CO 0.00 0.47 -1.39 -0.74 -1.14 0.00 0.00 176.83 174.03 1pfl h HIS 133 N 0.41 0.84 0.00 3.45 2.76 -1.39 -1.99 115.15 119.24 1pfl h HIS 133 Ca 0.09 -0.60 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1pfl h HIS 133 Cb 0.28 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1pfl h HIS 133 CO 0.01 1.47 0.00 1.28 -1.30 0.00 0.00 177.93 179.39 1pfl n LEU 134 N -3.67 0.07 0.03 0.26 4.32 -0.74 0.96 117.00 118.22 1pfl n LEU 134 Ca -0.14 0.52 -0.22 0.00 -0.02 0.00 0.00 56.01 56.15 1pfl n LEU 134 Cb 1.07 -0.51 -0.14 0.00 -1.62 0.00 0.00 43.42 42.22 1pfl n LEU 134 CO 0.58 -0.31 -0.66 0.03 -1.22 0.00 0.00 177.39 175.81 1pfl h ARG 135 N 0.00 0.30 0.00 3.23 3.08 -0.05 -3.22 114.38 117.72 1pfl h ARG 135 Ca 0.00 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1pfl h ARG 135 Cb 0.24 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1pfl h ARG 135 CO 0.00 1.25 0.00 0.54 -1.07 0.00 0.00 179.97 180.69 1pfl n ARG 136 N -3.61 0.23 0.18 0.04 5.12 -0.48 -2.47 116.66 115.68 1pfl n ARG 136 Ca -0.29 0.07 0.12 0.00 -1.93 0.00 0.00 57.85 55.82 1pfl n ARG 136 Cb 1.03 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 31.03 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1pfl h SER 137 N 0.00 0.00 -2.13 0.55 4.64 0.58 -3.48 113.55 113.72 1pfl h SER 137 Ca 0.00 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 1pfl h SER 137 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1pfl h SER 137 CO 0.00 0.00 -0.31 1.67 -0.87 0.00 0.00 176.83 177.32 1pfl n GLN 138 N -2.86 -1.77 0.00 4.77 0.00 -1.03 -5.06 117.38 111.42 1pfl n GLN 138 Ca 0.04 0.53 0.13 0.00 -0.00 0.00 0.00 57.00 57.69 1pfl n GLN 138 Cb 0.51 -4.60 0.27 0.00 0.00 0.00 0.00 30.24 26.42 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72