#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 0.77 0.28 0.00 0.00 -1.26 -4.92 105.19 100.06 1pfl n GLY 2 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 0.32 0.00 1.61 -0.00 -2.00 -0.28 115.95 115.60 1pfl h TRP 3 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1pfl h TRP 3 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 29.14 1pfl h TRP 3 CO 0.00 -0.09 0.00 -0.91 -0.00 0.00 0.00 178.44 177.44 1pfl h ASN 4 N 0.28 0.00 0.43 -3.49 2.35 -1.94 -1.89 115.58 111.32 1pfl h ASN 4 Ca 0.44 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.88 1pfl h ASN 4 Cb 0.78 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.16 1pfl h ASN 4 CO -0.53 0.00 -1.47 0.00 -1.65 0.00 0.00 177.43 173.78 1pfl h ALA 5 N 2.00 0.11 0.00 -0.83 0.00 -1.40 0.21 119.26 119.35 1pfl h ALA 5 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1pfl h ALA 5 Cb 0.23 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pfl h ALA 5 CO 0.00 0.98 0.00 0.66 0.00 0.00 0.00 179.25 180.89 1pfl n TYR 6 N -3.55 0.35 -0.01 0.00 4.01 -0.93 -0.64 117.16 116.39 1pfl n TYR 6 Ca -0.15 0.12 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 1pfl n TYR 6 Cb 1.06 -0.70 -0.14 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.83 -0.31 -0.72 1.08 -1.22 -3.27 117.51 113.90 1pfl h ILE 7 Ca 0.00 -2.63 0.09 0.00 -0.39 0.00 0.00 64.86 61.93 1pfl h ILE 7 Cb 0.41 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 1pfl h ILE 7 CO 0.00 0.62 0.38 0.44 -0.69 0.00 0.00 178.15 178.90 1pfl h ASP 8 N 0.02 0.00 -0.14 1.72 3.32 0.18 0.89 116.42 122.42 1pfl h ASP 8 Ca -0.31 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.77 1pfl h ASP 8 Cb 2.01 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.51 1pfl h ASP 8 CO 0.09 0.00 -0.45 -1.13 -1.72 0.00 0.00 179.24 176.02 1pfl h ASN 9 N 0.00 -1.45 -1.23 6.45 -1.24 -1.49 0.14 115.58 116.76 1pfl h ASN 9 Ca 0.15 0.17 0.38 0.00 0.71 0.00 0.00 56.30 57.71 1pfl h ASN 9 Cb 0.90 0.57 -0.11 0.00 0.73 0.00 0.00 38.32 40.40 1pfl h ASN 9 CO -0.00 -0.39 0.80 -0.07 -1.29 0.00 0.00 177.43 176.47 1pfl h LEU 10 N -0.47 0.30 0.00 0.34 3.38 -1.03 0.32 115.31 118.15 1pfl h LEU 10 Ca 0.03 0.11 -0.26 0.00 0.09 0.00 0.00 57.88 57.86 1pfl h LEU 10 Cb 0.56 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1pfl h LEU 10 CO -0.38 -0.09 -1.42 0.24 0.09 0.00 0.00 178.44 176.89 1pfl h MET 11 N 0.18 0.00 0.03 1.13 2.86 -0.97 -3.38 114.93 114.78 1pfl h MET 11 Ca 0.74 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 58.13 1pfl h MET 11 Cb 2.23 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.86 1pfl h MET 11 CO -0.36 0.68 -1.23 0.00 1.06 0.00 0.00 176.91 177.06 1pfl h ALA 12 N 1.01 0.39 -0.48 6.32 0.00 0.22 -3.40 119.26 123.32 1pfl h ALA 12 Ca -0.17 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1pfl h ALA 12 Cb 1.91 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1pfl h ALA 12 CO 0.10 1.27 0.00 -0.40 0.00 0.00 0.00 179.25 180.22 1pfl n ASP 13 N -3.33 4.27 -1.40 0.00 5.75 -0.48 -4.98 116.55 116.39 1pfl n ASP 13 Ca -0.06 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.19 1pfl n ASP 13 Cb 0.98 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.74 0.00 2.00 6.12 0.00 -1.26 -3.78 105.19 109.01 1pfl n GLY 14 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.46 0.00 -1.43 2.61 -1.04 -1.26 -4.87 114.28 107.83 1pfl n THR 15 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1pfl n THR 15 Cb 0.00 -0.38 0.08 0.00 -1.82 0.00 0.00 70.33 68.21 1pfl n THR 15 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pfl n GLN 17 N -3.02 0.71 -3.31 0.00 0.00 0.20 -4.46 117.38 107.50 1pfl n GLN 17 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 57.01 1pfl n GLN 17 Cb 0.52 -0.23 -0.06 0.00 0.00 0.00 0.00 30.24 30.47 1pfl n GLN 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1pfl s ASP 18 N -0.75 0.40 -0.34 1.69 2.15 -1.17 -4.96 116.67 113.68 1pfl s ASP 18 Ca 0.00 -0.75 -0.20 0.00 0.43 0.00 0.00 52.55 52.03 1pfl s ASP 18 Cb 0.00 1.05 -0.00 0.00 -0.30 0.00 0.00 42.92 43.67 1pfl s ASP 18 CO 0.00 -0.31 0.63 0.00 -0.17 0.00 0.00 175.17 175.32 1pfl s ALA 19 N 2.17 3.47 -0.38 3.66 0.00 -1.26 -0.33 121.76 129.10 1pfl s ALA 19 Ca 0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 1pfl s ALA 19 Cb -0.12 -3.15 0.10 0.00 0.00 0.00 0.00 23.12 19.95 1pfl s ALA 19 CO -0.21 -1.27 0.15 0.00 0.00 0.00 0.00 175.76 174.43 1pfl s ALA 20 N 2.67 3.07 -0.05 0.00 0.00 0.13 -2.93 121.76 124.66 1pfl s ALA 20 Ca 0.24 -2.36 -0.29 0.00 0.00 0.00 0.00 51.96 49.55 1pfl s ALA 20 Cb -0.15 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.66 1pfl s ALA 20 CO 0.14 -1.68 0.96 0.42 0.00 0.00 0.00 175.76 175.60 1pfl s ILE 21 N 1.16 4.86 -0.19 0.00 1.01 -0.90 -0.52 121.20 126.61 1pfl s ILE 21 Ca 0.06 1.98 -0.01 0.00 0.00 0.00 0.00 60.65 62.67 1pfl s ILE 21 Cb -0.22 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.02 1pfl s ILE 21 CO -0.04 0.11 -0.00 -0.69 0.00 0.00 0.00 174.94 174.32 1pfl s VAL 22 N 1.37 0.85 -0.93 2.92 1.01 0.02 -1.09 120.40 124.55 1pfl s VAL 22 Ca 0.49 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 1pfl s VAL 22 Cb -0.20 -1.21 -0.10 0.00 0.00 0.00 0.00 36.38 34.87 1pfl s VAL 22 CO 0.23 -0.08 2.11 -0.83 0.00 0.00 0.00 175.10 176.52 1pfl s GLY 23 N 1.72 -0.27 -0.16 4.51 0.00 0.19 -1.73 107.32 111.58 1pfl s GLY 23 Ca -0.01 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1pfl s GLY 23 CO -0.07 3.81 1.42 1.58 0.00 0.00 0.00 173.10 179.84 1pfl n TYR 24 N 16.11 1.00 0.00 1.90 4.11 -1.26 -0.61 117.16 138.40 1pfl n TYR 24 Ca 0.43 -1.06 0.00 0.00 -0.00 0.00 0.00 57.90 57.27 1pfl n TYR 24 Cb 0.46 -0.53 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 0.10 1.50 -0.37 -3.48 4.01 -1.26 -4.67 118.16 113.99 1pfl n LYS 25 Ca 0.19 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.91 1pfl n LYS 25 Cb 0.82 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.29 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 -1.89 -3.57 4.39 2.03 -1.99 -3.30 116.42 112.10 1pfl h ASP 26 Ca 0.00 0.31 -0.65 0.00 -0.73 0.00 0.00 57.03 55.97 1pfl h ASP 26 Cb 0.00 0.87 -0.23 0.00 -0.83 0.00 0.00 39.33 39.14 1pfl h ASP 26 CO 0.00 -0.27 -0.63 -0.94 -1.03 0.00 0.00 179.24 176.37 1pfl s SER 27 N -5.40 5.05 0.69 4.15 1.04 -1.26 -5.05 113.70 112.91 1pfl s SER 27 Ca -0.13 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 1pfl s SER 27 Cb 0.14 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1pfl s SER 27 CO 0.65 -0.00 1.07 -2.16 0.98 0.00 0.00 173.24 173.77 1pfl s PRO 28 N 1.42 3.00 0.03 4.02 0.04 -1.24 -4.72 135.00 137.55 1pfl s PRO 28 Ca 0.05 0.67 -0.28 0.00 0.04 0.00 0.00 61.00 61.48 1pfl s PRO 28 Cb -0.15 -2.02 0.09 0.00 0.04 0.00 0.00 34.50 32.47 1pfl s PRO 28 CO 0.03 -0.98 0.90 -1.54 0.04 0.00 0.00 177.00 175.45 1pfl s SER 29 N -4.14 -0.32 -0.57 6.66 1.04 0.22 -4.83 113.70 111.76 1pfl s SER 29 Ca 0.57 -0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.71 1pfl s SER 29 Cb -0.12 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.49 1pfl s SER 29 CO 0.53 -0.69 0.72 -0.69 0.98 0.00 0.00 173.24 174.09 1pfl s VAL 30 N -3.16 4.76 0.28 5.02 1.01 -1.26 0.56 120.40 127.61 1pfl s VAL 30 Ca 0.07 -0.66 0.16 0.00 0.00 0.00 0.00 61.98 61.55 1pfl s VAL 30 Cb -0.01 -4.44 0.11 0.00 0.00 0.00 0.00 36.38 32.04 1pfl s VAL 30 CO -0.06 -1.04 1.78 -0.50 0.00 0.00 0.00 175.10 175.27 1pfl h TRP 31 N 9.17 0.00 -0.03 5.22 4.06 -1.42 -3.43 115.95 129.52 1pfl h TRP 31 Ca -0.28 0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.74 1pfl h TRP 31 Cb 1.09 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.09 1pfl h TRP 31 CO 0.82 0.39 -0.05 0.00 -3.56 0.00 0.00 178.44 176.04 1pfl s ALA 32 N -3.87 -4.97 -0.10 1.49 0.00 -0.76 -4.97 121.76 108.59 1pfl s ALA 32 Ca -0.01 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.93 1pfl s ALA 32 Cb 0.13 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1pfl s ALA 32 CO 0.70 -2.58 -0.17 0.00 0.00 0.00 0.00 175.76 173.71 1pfl s ALA 33 N 1.24 2.49 -0.30 0.00 0.00 -1.26 -2.11 121.76 121.82 1pfl s ALA 33 Ca 0.20 -0.93 -0.38 0.00 0.00 0.00 0.00 51.96 50.85 1pfl s ALA 33 Cb 0.13 -1.04 -0.14 0.00 0.00 0.00 0.00 23.12 22.07 1pfl s ALA 33 CO -0.13 0.32 1.97 0.28 0.00 0.00 0.00 175.76 178.21 1pfl n VAL 34 N 3.27 0.28 -2.42 0.00 0.31 -1.15 -4.70 118.33 113.92 1pfl n VAL 34 Ca -0.18 -0.14 -0.37 0.00 -0.01 0.00 0.00 64.34 63.63 1pfl n VAL 34 Cb 0.53 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 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 4.89 4.10 0.00 5.55 0.04 -1.26 -3.69 135.00 144.63 1pfl s PRO 35 Ca 1.04 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1pfl s PRO 35 Cb -0.96 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1pfl s PRO 35 CO 0.57 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.79 1pfl n GLY 36 N 0.50 2.62 0.00 0.56 0.00 -1.26 -5.00 105.19 102.61 1pfl n GLY 36 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.55 0.00 0.00 1.61 4.01 -1.24 -5.08 118.16 115.92 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1pfl n LYS 37 Cb 0.00 -0.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1pfl n THR 38 N -0.08 0.00 -0.33 -0.18 -1.04 -1.26 -4.99 114.28 106.40 1pfl n THR 38 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1pfl n THR 38 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 1.14 -0.04 -1.42 0.04 -1.88 -1.83 116.94 112.95 1pfl h PHE 39 Ca 0.00 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 1pfl h PHE 39 Cb 0.00 -0.38 -0.00 0.00 2.20 0.00 0.00 35.95 37.77 1pfl h PHE 39 CO 0.00 0.72 0.16 -0.24 -0.60 0.00 0.00 178.31 178.35 1pfl h VAL 40 N 1.22 0.11 -0.53 -0.55 3.04 -1.84 0.26 116.25 117.95 1pfl h VAL 40 Ca 0.33 0.00 -0.25 0.00 -1.01 0.00 0.00 66.70 65.77 1pfl h VAL 40 Cb -0.13 0.85 -0.15 0.00 -2.01 0.00 0.00 31.29 29.85 1pfl h VAL 40 CO -0.07 0.00 0.32 0.59 -1.01 0.00 0.00 177.57 177.40 1pfl n ASN 41 N -3.18 3.48 -4.79 3.17 3.02 -0.69 -4.74 115.26 111.52 1pfl n ASN 41 Ca -0.02 -2.86 -0.31 0.00 -0.03 0.00 0.00 54.58 51.37 1pfl n ASN 41 Cb 0.23 -0.68 0.07 0.00 -0.61 0.00 0.00 39.78 38.80 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 -1.90 3.62 0.36 2.41 1.01 0.90 -4.52 121.20 123.07 1pfl s ILE 42 Ca 0.32 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 1pfl s ILE 42 Cb 0.27 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1pfl s ILE 42 CO 0.07 -0.69 0.49 0.42 0.00 0.00 0.00 174.94 175.23 1pfl s THR 43 N -2.99 0.00 -2.00 2.92 -4.23 -1.26 -4.83 115.64 103.24 1pfl s THR 43 Ca 0.60 -1.60 0.18 0.00 -1.18 0.00 0.00 61.69 59.68 1pfl s THR 43 Cb -0.15 -2.69 0.50 0.00 1.34 0.00 0.00 72.50 71.50 1pfl s THR 43 CO 0.55 0.00 1.48 -0.81 -0.54 0.00 0.00 174.62 175.30 1pfl n PRO 44 N -0.60 0.64 -0.04 3.99 -0.04 -1.26 -1.85 135.00 135.85 1pfl n PRO 44 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 1pfl n PRO 44 Cb 0.61 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 3.15 0.00 -0.41 0.55 0.00 -1.95 0.47 119.26 121.07 1pfl h ALA 45 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pfl h ALA 45 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1pfl h ALA 45 CO 0.00 0.15 0.26 1.05 0.00 0.00 0.00 179.25 180.70 1pfl h GLU 46 N -0.59 0.54 0.00 0.00 9.09 -1.76 0.98 114.58 122.85 1pfl h GLU 46 Ca 0.00 -0.04 -0.07 0.00 0.05 0.00 0.00 59.36 59.30 1pfl h GLU 46 Cb 0.15 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 1pfl h GLU 46 CO 0.00 0.37 -0.52 0.28 0.05 0.00 0.00 179.01 179.19 1pfl h VAL 47 N 0.56 0.44 -0.02 -1.06 2.07 -1.52 -2.85 116.25 113.87 1pfl h VAL 47 Ca 0.15 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1pfl h VAL 47 Cb -0.04 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1pfl h VAL 47 CO -0.03 0.25 0.01 1.23 0.02 0.00 0.00 177.57 179.06 1pfl h GLY 48 N 3.74 0.00 0.26 2.17 0.00 0.26 0.26 103.07 109.76 1pfl h GLY 48 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.94 1pfl h GLY 48 CO 0.03 0.00 -2.26 1.55 0.00 0.00 0.00 176.54 175.86 1pfl n VAL 49 N -4.23 1.56 0.40 4.60 3.14 -1.06 -0.43 118.33 122.31 1pfl n VAL 49 Ca -0.03 -0.67 0.09 0.00 -2.96 0.00 0.00 64.34 60.77 1pfl n VAL 49 Cb 0.10 -1.28 0.38 0.00 -1.06 0.00 0.00 33.84 31.99 1pfl n VAL 49 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pfl n LEU 50 N -3.20 0.32 0.00 6.55 4.77 -1.04 -4.16 117.00 120.24 1pfl n LEU 50 Ca -0.37 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1pfl n LEU 50 Cb 1.04 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1pfl n LEU 50 CO 0.35 -0.44 0.00 1.33 -1.33 0.00 0.00 177.39 177.30 1pfl n VAL 51 N -1.86 0.00 -1.92 4.08 0.24 0.05 -5.05 118.33 113.88 1pfl n VAL 51 Ca 0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 1pfl n VAL 51 Cb 0.17 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.52 1pfl n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pfl s GLY 52 N -0.42 1.07 0.48 7.63 0.00 0.43 -4.85 107.32 111.66 1pfl s GLY 52 Ca 0.00 0.67 0.19 0.00 0.00 0.00 0.00 44.72 45.57 1pfl s GLY 52 CO 0.00 3.28 2.00 0.07 0.00 0.00 0.00 173.10 178.45 1pfl h LYS 53 N 11.82 0.19 -4.46 2.90 5.09 -1.93 -3.20 116.57 126.99 1pfl h LYS 53 Ca -0.38 -0.01 -0.72 0.00 0.09 0.00 0.00 60.65 59.63 1pfl h LYS 53 Cb 1.19 -0.04 -0.11 0.00 0.10 0.00 0.00 32.23 33.36 1pfl h LYS 53 CO 0.98 0.13 2.24 -3.47 -2.09 0.00 0.00 179.45 177.25 1pfl n ASP 54 N -4.44 4.74 -2.68 7.07 2.03 -1.26 -4.29 116.55 117.72 1pfl n ASP 54 Ca 0.09 -2.96 -0.05 0.00 0.52 0.00 0.00 54.79 52.39 1pfl n ASP 54 Cb 0.44 -1.61 0.05 0.00 -0.72 0.00 0.00 41.12 39.28 1pfl n ASP 54 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1pfl n ARG 55 N 5.93 0.49 0.01 -0.67 3.00 -1.21 -5.00 116.66 119.21 1pfl n ARG 55 Ca 0.45 -1.08 0.07 0.00 -0.00 0.00 0.00 57.85 57.29 1pfl n ARG 55 Cb 0.41 -0.14 0.30 0.00 0.00 0.00 0.00 32.46 33.02 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pfl n SER 56 N -0.25 0.03 0.06 6.15 2.88 -1.26 -3.21 113.62 118.01 1pfl n SER 56 Ca -0.14 0.51 -0.10 0.00 -1.33 0.00 0.00 58.87 57.81 1pfl n SER 56 Cb 0.72 -0.51 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 1pfl n SER 56 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1pfl h SER 57 N 0.00 -0.20 -1.52 -3.46 4.64 -1.96 -3.30 113.55 107.75 1pfl h SER 57 Ca 0.00 -0.30 0.44 0.00 -0.47 0.00 0.00 61.79 61.46 1pfl h SER 57 Cb 0.24 0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 1pfl h SER 57 CO 0.00 0.36 1.24 2.22 -0.87 0.00 0.00 176.83 179.78 1pfl n PHE 58 N -4.92 0.00 0.00 4.77 1.16 -1.20 -1.55 117.46 115.72 1pfl n PHE 58 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.51 1pfl n PHE 58 Cb 0.24 -0.38 0.01 0.00 -1.61 0.00 0.00 39.48 37.74 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 -3.52 0.01 0.00 2.97 4.01 -1.25 -1.43 117.16 117.96 1pfl n TYR 59 Ca 0.34 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 1pfl n TYR 59 Cb 1.70 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 40.27 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 -1.46 0.00 0.02 -0.72 0.24 -0.60 -4.87 118.33 110.94 1pfl n VAL 60 Ca -0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 1pfl n VAL 60 Cb 0.06 -0.39 -0.14 0.00 -1.47 0.00 0.00 33.84 31.89 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 0.45 -4.36 -1.34 7.08 -1.52 -3.46 115.58 112.42 1pfl h ASN 61 Ca 0.00 -0.91 0.00 0.00 -3.08 0.00 0.00 56.30 52.31 1pfl h ASN 61 Cb 0.40 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.50 1pfl h ASN 61 CO 0.00 1.78 0.00 0.61 -2.08 0.00 0.00 177.43 177.74 1pfl n GLY 62 N 1.88 4.01 0.00 9.14 0.00 -0.51 -4.62 105.19 115.07 1pfl n GLY 62 Ca -0.29 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.43 -4.64 117.00 114.06 1pfl n LEU 63 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1pfl n LEU 63 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1pfl n LEU 63 CO 0.00 0.00 0.38 0.42 -1.33 0.00 0.00 177.39 176.86 1pfl s THR 64 N 1.30 -0.17 -0.21 -5.08 -4.23 -1.26 -2.33 115.64 103.66 1pfl s THR 64 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1pfl s THR 64 Cb 0.00 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.93 1pfl s THR 64 CO 0.00 0.00 0.17 -1.48 -0.54 0.00 0.00 174.62 172.77 1pfl s LEU 65 N 1.82 0.10 -0.01 4.79 2.34 -0.86 -4.18 118.68 122.68 1pfl s LEU 65 Ca -0.09 -0.50 0.00 0.00 0.06 0.00 0.00 54.13 53.59 1pfl s LEU 65 Cb -0.06 0.10 0.00 0.00 -0.56 0.00 0.00 46.19 45.67 1pfl s LEU 65 CO -0.19 -0.35 0.00 0.61 -1.06 0.00 0.00 176.35 175.36 1pfl n GLY 66 N 5.30 0.37 2.18 -3.48 0.00 -1.25 -2.79 105.19 105.52 1pfl n GLY 66 Ca -0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.61 0.58 3.23 -0.02 0.00 -1.26 -4.84 105.19 101.28 1pfl n GLY 67 Ca -0.00 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.50 2.48 -0.29 1.61 -0.44 -1.12 -5.05 119.66 115.35 1pfl s GLN 68 Ca 0.00 -1.38 -0.29 0.00 -2.50 0.00 0.00 55.36 51.20 1pfl s GLN 68 Cb 0.00 -3.53 -0.01 0.00 -1.64 0.00 0.00 33.01 27.83 1pfl s GLN 68 CO 0.00 -0.81 1.47 0.21 0.50 0.00 0.00 175.29 176.67 1pfl s LYS 69 N 1.34 3.78 0.59 1.67 2.20 -1.26 -2.03 119.74 126.04 1pfl s LYS 69 Ca 0.01 1.38 0.10 0.00 -0.36 0.00 0.00 55.97 57.09 1pfl s LYS 69 Cb -0.21 -3.98 0.10 0.00 -1.51 0.00 0.00 37.83 32.22 1pfl s LYS 69 CO 0.01 -1.30 0.82 0.00 -0.36 0.00 0.00 175.35 174.52 1pfl s SER 71 N -4.70 3.16 -0.15 0.00 1.04 0.18 -1.32 113.70 111.92 1pfl s SER 71 Ca 0.63 -1.00 -0.40 0.00 0.48 0.00 0.00 55.95 55.66 1pfl s SER 71 Cb -0.05 -0.63 -0.17 0.00 0.10 0.00 0.00 66.02 65.26 1pfl s SER 71 CO 0.40 -0.33 1.51 0.52 0.98 0.00 0.00 173.24 176.31 1pfl n VAL 72 N 5.02 0.13 -3.38 5.02 0.31 -1.26 -1.97 118.33 122.20 1pfl n VAL 72 Ca -0.08 -0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 63.97 1pfl n VAL 72 Cb 0.46 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.46 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 3.44 0.64 0.00 2.52 5.41 0.29 -4.82 119.36 126.84 1pfl n ILE 73 Ca 0.23 -4.49 0.00 0.00 1.00 0.00 0.00 62.75 59.50 1pfl n ILE 73 Cb 0.12 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 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 1.43 0.00 -2.18 0.38 0.63 -1.26 -3.45 116.66 112.21 1pfl n ARG 74 Ca 0.25 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.77 1pfl n ARG 74 Cb 0.46 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.34 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 -0.43 5.80 0.00 6.15 -1.08 -1.26 -3.32 116.67 122.54 1pfl s ASP 75 Ca 0.00 0.57 0.00 0.00 -0.52 0.00 0.00 52.55 52.60 1pfl s ASP 75 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1pfl s ASP 75 CO 0.00 -1.91 0.23 -0.24 0.52 0.00 0.00 175.17 173.76 1pfl n SER 76 N 10.74 0.45 -0.45 -0.34 2.88 0.30 -4.83 113.62 122.37 1pfl n SER 76 Ca 0.18 -0.88 0.39 0.00 -1.33 0.00 0.00 58.87 57.23 1pfl n SER 76 Cb 0.49 0.09 0.60 0.00 -0.75 0.00 0.00 64.21 64.64 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 -0.09 0.00 -4.70 2.46 0.00 -0.92 -0.09 117.00 113.66 1pfl n LEU 77 Ca 0.00 0.82 -0.36 0.00 0.00 0.00 0.00 56.01 56.47 1pfl n LEU 77 Cb 0.09 -0.36 -0.08 0.00 0.00 0.00 0.00 43.42 43.07 1pfl n LEU 77 CO 0.00 -0.82 -0.11 -0.76 0.00 0.00 0.00 177.39 175.70 1pfl s LEU 78 N -6.94 4.18 -0.17 -1.96 1.43 -1.26 -4.24 118.68 109.72 1pfl s LEU 78 Ca -0.04 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1pfl s LEU 78 Cb 0.19 -2.21 -0.12 0.00 0.03 0.00 0.00 46.19 44.08 1pfl s LEU 78 CO 0.65 0.09 1.13 0.00 0.23 0.00 0.00 176.35 178.45 1pfl n GLN 79 N 3.89 0.01 -0.99 1.70 10.64 -1.26 -4.00 117.38 127.37 1pfl n GLN 79 Ca -0.14 -0.50 -0.04 0.00 -1.83 0.00 0.00 57.00 54.49 1pfl n GLN 79 Cb 0.52 -1.81 0.31 0.00 -0.86 0.00 0.00 30.24 28.40 1pfl n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1pfl n ASP 80 N 7.66 4.84 0.00 2.61 -0.08 -1.26 -4.75 116.55 125.56 1pfl n ASP 80 Ca 0.17 -3.21 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 1pfl n ASP 80 Cb 0.39 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.12 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 -0.12 1.42 2.10 0.27 0.00 -1.26 -4.95 105.19 102.64 1pfl n GLY 81 Ca 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.28 0.00 -4.04 1.61 4.71 -1.26 -5.05 120.64 115.33 1pfl n GLU 82 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.76 1pfl n GLU 82 Cb 0.10 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.53 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 -3.10 -1.49 -3.73 -0.32 1.16 0.88 -4.87 117.46 105.98 1pfl n PHE 83 Ca 0.00 0.32 -0.12 0.00 -1.87 0.00 0.00 57.45 55.78 1pfl n PHE 83 Cb 0.00 -3.02 -0.12 0.00 -1.61 0.00 0.00 39.48 34.73 1pfl n PHE 83 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1pfl s SER 84 N -3.79 -0.32 -0.06 5.98 1.04 -1.02 -2.49 113.70 113.05 1pfl s SER 84 Ca 0.34 0.61 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 1pfl s SER 84 Cb -0.17 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1pfl s SER 84 CO 0.95 -0.15 0.02 -0.32 0.98 0.00 0.00 173.24 174.71 1pfl s MET 85 N 1.01 0.37 -1.30 4.02 1.75 -0.27 -0.54 119.30 124.34 1pfl s MET 85 Ca -0.07 0.18 -0.12 0.00 -1.25 0.00 0.00 55.69 54.42 1pfl s MET 85 Cb -0.08 -0.76 0.13 0.00 2.84 0.00 0.00 34.83 36.96 1pfl s MET 85 CO -0.07 -0.28 1.82 -0.25 -0.65 0.00 0.00 175.02 175.59 1pfl n ASP 86 N 5.02 4.86 -4.59 1.11 8.00 -1.21 -0.79 116.55 128.95 1pfl n ASP 86 Ca -0.09 -3.00 -0.40 0.00 0.71 0.00 0.00 54.79 52.01 1pfl n ASP 86 Cb 0.50 -1.57 -0.08 0.00 -0.02 0.00 0.00 41.12 39.95 1pfl n ASP 86 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1pfl s LEU 87 N 1.30 4.16 0.15 0.64 -0.00 0.92 0.10 118.68 125.95 1pfl s LEU 87 Ca 0.44 0.20 0.07 0.00 -0.00 0.00 0.00 54.13 54.84 1pfl s LEU 87 Cb 0.07 -2.51 -0.04 0.00 -0.00 0.00 0.00 46.19 43.71 1pfl s LEU 87 CO -0.01 -0.30 -0.01 0.00 -0.00 0.00 0.00 176.35 176.04 1pfl s ARG 88 N 2.20 2.40 -0.71 1.48 1.70 -0.83 -1.37 118.95 123.82 1pfl s ARG 88 Ca 0.17 -1.05 -0.26 0.00 -0.47 0.00 0.00 55.73 54.11 1pfl s ARG 88 Cb -0.16 -2.38 0.04 0.00 -0.57 0.00 0.00 34.95 31.87 1pfl s ARG 88 CO 0.11 0.47 1.22 0.95 -1.08 0.00 0.00 175.30 176.97 1pfl s THR 89 N -1.61 3.85 0.82 4.99 -4.23 -0.62 0.52 115.64 119.35 1pfl s THR 89 Ca 0.27 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1pfl s THR 89 Cb -0.10 -4.86 0.11 0.00 1.34 0.00 0.00 72.50 68.99 1pfl s THR 89 CO 0.18 -1.73 1.17 -0.54 -0.54 0.00 0.00 174.62 173.16 1pfl s LYS 90 N 5.39 1.66 0.33 3.99 3.01 -1.26 -1.32 119.74 131.54 1pfl s LYS 90 Ca 0.34 -0.17 0.03 0.00 -1.01 0.00 0.00 55.97 55.16 1pfl s LYS 90 Cb -0.09 -1.99 -0.02 0.00 -1.01 0.00 0.00 37.83 34.72 1pfl s LYS 90 CO 0.16 -1.72 0.35 0.45 0.51 0.00 0.00 175.35 175.09 1pfl s SER 91 N -4.65 1.30 -0.17 2.83 0.15 -1.26 -4.69 113.70 107.20 1pfl s SER 91 Ca 0.65 -1.63 0.14 0.00 0.70 0.00 0.00 55.95 55.80 1pfl s SER 91 Cb -0.09 0.59 -0.24 0.00 -1.71 0.00 0.00 66.02 64.57 1pfl s SER 91 CO 0.49 -1.14 0.19 0.35 1.20 0.00 0.00 173.24 174.32 1pfl n THR 92 N -0.58 1.47 0.00 6.45 -2.24 -1.26 -4.99 114.28 113.13 1pfl n THR 92 Ca 0.05 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1pfl n THR 92 Cb 0.62 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 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 1.78 -1.56 0.19 3.38 0.00 -1.26 -4.91 105.19 102.81 1pfl n GLY 93 Ca -0.31 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.34 1pfl n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pfl h GLY 94 N 0.00 0.00 -1.09 -0.02 0.00 -2.05 -3.45 103.07 96.46 1pfl h GLY 94 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1pfl h GLY 94 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 176.54 176.66 1pfl s ALA 95 N -3.56 0.43 -0.11 3.60 0.00 -1.26 -5.01 121.76 115.85 1pfl s ALA 95 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 1pfl s ALA 95 Cb 0.10 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1pfl s ALA 95 CO 0.68 -3.24 0.24 -1.25 0.00 0.00 0.00 175.76 172.19 1pfl s PRO 96 N -4.66 3.81 0.15 0.00 0.04 -1.26 -4.71 135.00 128.37 1pfl s PRO 96 Ca 0.67 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.83 1pfl s PRO 96 Cb -0.22 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1pfl s PRO 96 CO 0.61 0.59 -0.06 0.95 0.04 0.00 0.00 177.00 179.13 1pfl s THR 97 N -0.58 3.46 -0.36 1.26 -4.23 -1.26 -4.46 115.64 109.47 1pfl s THR 97 Ca 0.17 -1.42 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1pfl s THR 97 Cb -0.13 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 71.17 1pfl s THR 97 CO 0.06 -0.03 0.23 -0.36 -0.54 0.00 0.00 174.62 173.98 1pfl s PHE 98 N -1.53 0.80 0.13 3.99 0.08 -0.44 -4.25 117.98 116.77 1pfl s PHE 98 Ca 0.25 -1.76 -0.30 0.00 0.12 0.00 0.00 56.93 55.23 1pfl s PHE 98 Cb -0.10 -0.93 -0.07 0.00 -0.57 0.00 0.00 43.02 41.35 1pfl s PHE 98 CO 0.16 -0.83 1.22 -0.80 -0.10 0.00 0.00 175.22 174.87 1pfl s ASN 99 N 0.88 7.05 0.03 1.36 0.01 0.95 -1.58 114.94 123.63 1pfl s ASN 99 Ca 0.21 2.16 0.09 0.00 -0.71 0.00 0.00 52.86 54.61 1pfl s ASN 99 Cb -0.18 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 1pfl s ASN 99 CO -0.03 -0.44 -0.26 -0.69 -1.51 0.00 0.00 177.10 174.17 1pfl s VAL 100 N 0.51 2.18 -0.17 1.60 1.01 -0.47 0.67 120.40 125.73 1pfl s VAL 100 Ca 0.56 -1.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1pfl s VAL 100 Cb -0.32 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1pfl s VAL 100 CO 0.33 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 174.82 1pfl s THR 101 N -0.77 2.68 -0.21 3.92 2.01 0.02 -0.06 115.64 123.23 1pfl s THR 101 Ca 0.11 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.33 1pfl s THR 101 Cb -0.10 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 1pfl s THR 101 CO 0.01 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 1pfl s VAL 102 N 0.97 3.25 0.49 3.82 1.01 0.03 -0.39 120.40 129.58 1pfl s VAL 102 Ca -0.02 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1pfl s VAL 102 Cb -0.15 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1pfl s VAL 102 CO -0.02 0.44 0.52 0.42 0.00 0.00 0.00 175.10 176.45 1pfl s THR 103 N 1.42 2.30 -0.01 3.92 -4.23 -0.27 -1.12 115.64 117.66 1pfl s THR 103 Ca 0.05 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1pfl s THR 103 Cb -0.14 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 1pfl s THR 103 CO -0.04 0.00 0.08 -0.75 -0.54 0.00 0.00 174.62 173.37 1pfl s LYS 104 N -4.34 0.26 0.00 3.99 2.47 -1.04 -2.25 119.74 118.83 1pfl s LYS 104 Ca 0.49 -0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 1pfl s LYS 104 Cb -0.04 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 1pfl s LYS 104 CO 0.30 -0.05 0.00 0.25 0.16 0.00 0.00 175.35 176.01 1pfl n THR 105 N 2.23 0.00 -0.04 3.43 -2.24 -1.11 -4.85 114.28 111.70 1pfl n THR 105 Ca -0.18 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1pfl n THR 105 Cb 0.57 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.04 -0.34 3.42 2.03 -0.72 -4.69 116.55 116.28 1pfl n ASP 106 Ca 0.00 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1pfl n ASP 106 Cb 0.00 1.53 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 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 -2.48 0.00 -4.19 -0.67 5.02 -1.18 -5.10 118.16 109.55 1pfl n LYS 107 Ca -0.16 -0.46 -0.19 0.00 -2.02 0.00 0.00 58.31 55.48 1pfl n LYS 107 Cb 0.81 -0.28 -0.12 0.00 -0.02 0.00 0.00 35.03 35.43 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 1.19 -0.41 -0.18 -4.23 -1.26 -4.26 115.64 106.49 1pfl s THR 108 Ca 0.00 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1pfl s THR 108 Cb 0.00 -1.19 0.11 0.00 1.34 0.00 0.00 72.50 72.76 1pfl s THR 108 CO 0.00 -0.25 0.13 -0.22 -0.54 0.00 0.00 174.62 173.74 1pfl s LEU 109 N -1.88 4.51 0.20 4.79 1.98 -0.71 -2.76 118.68 124.82 1pfl s LEU 109 Ca 0.01 -2.48 -0.16 0.00 -2.89 0.00 0.00 54.13 48.60 1pfl s LEU 109 Cb -0.09 -1.61 -0.08 0.00 0.66 0.00 0.00 46.19 45.07 1pfl s LEU 109 CO 0.02 -0.32 0.64 -0.69 -1.89 0.00 0.00 176.35 174.11 1pfl s VAL 110 N 0.45 4.73 0.06 1.68 1.01 -0.95 -0.80 120.40 126.58 1pfl s VAL 110 Ca 0.13 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.17 1pfl s VAL 110 Cb -0.22 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1pfl s VAL 110 CO -0.05 0.15 -0.19 -0.76 0.00 0.00 0.00 175.10 174.25 1pfl s LEU 111 N -2.15 2.21 -0.28 3.92 1.43 0.32 -1.11 118.68 123.02 1pfl s LEU 111 Ca 0.42 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1pfl s LEU 111 Cb -0.15 -0.85 0.08 0.00 0.03 0.00 0.00 46.19 45.30 1pfl s LEU 111 CO 0.20 0.09 0.05 -0.22 0.23 0.00 0.00 176.35 176.70 1pfl s LEU 112 N -1.42 2.54 0.20 1.79 1.98 0.48 -0.69 118.68 123.55 1pfl s LEU 112 Ca 0.06 -1.49 -0.14 0.00 -2.89 0.00 0.00 54.13 49.66 1pfl s LEU 112 Cb -0.09 -1.01 -0.07 0.00 0.66 0.00 0.00 46.19 45.67 1pfl s LEU 112 CO 0.02 -0.35 0.60 -0.32 -1.89 0.00 0.00 176.35 174.41 1pfl s MET 113 N 1.49 3.99 -0.12 1.98 -2.45 0.55 -0.80 119.30 123.95 1pfl s MET 113 Ca 0.05 0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 55.01 1pfl s MET 113 Cb -0.18 -2.80 0.03 0.00 1.25 0.00 0.00 34.83 33.14 1pfl s MET 113 CO -0.16 0.39 -0.04 0.20 1.05 0.00 0.00 175.02 176.46 1pfl s GLY 114 N -1.92 0.76 0.24 2.11 0.00 0.21 0.59 107.32 109.31 1pfl s GLY 114 Ca 0.43 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.69 1pfl s GLY 114 CO 0.20 0.97 0.27 0.54 0.00 0.00 0.00 173.10 175.08 1pfl s LYS 115 N 1.77 3.19 0.00 2.90 1.02 -0.19 -0.03 119.74 128.40 1pfl s LYS 115 Ca 0.04 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1pfl s LYS 115 Cb -0.13 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 1pfl s LYS 115 CO -0.07 0.42 0.00 -1.91 -0.92 0.00 0.00 175.35 172.87 1pfl n GLU 116 N -1.23 0.00 -1.12 1.68 2.13 -1.26 -3.30 120.64 117.55 1pfl n GLU 116 Ca -0.08 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.70 1pfl n GLU 116 Cb 0.57 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.26 1pfl n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pfl n GLY 117 N 0.00 0.65 3.29 8.31 0.00 -1.26 -4.66 105.19 111.52 1pfl n GLY 117 Ca 0.00 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 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 0.04 1.61 0.11 -1.21 -4.75 120.40 119.19 1pfl s VAL 118 Ca 0.00 -1.55 -0.16 0.00 -2.93 0.00 0.00 61.98 57.34 1pfl s VAL 118 Cb 0.00 -4.18 -0.30 0.00 -1.53 0.00 0.00 36.38 30.37 1pfl s VAL 118 CO 0.00 -0.83 1.07 -0.74 -3.33 0.00 0.00 175.10 171.27 1pfl h HIS 119 N 8.77 0.95 0.00 1.54 2.76 -1.92 -3.44 115.15 123.81 1pfl h HIS 119 Ca -0.28 -0.62 0.00 0.00 -2.20 0.00 0.00 60.37 57.28 1pfl h HIS 119 Cb 1.09 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.98 1pfl h HIS 119 CO 0.70 1.46 0.00 0.41 -1.30 0.00 0.00 177.93 179.20 1pfl n GLY 120 N 1.44 0.92 1.17 5.26 0.00 -1.26 -5.00 105.19 107.72 1pfl n GLY 120 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1pfl n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 121 N 0.00 -0.06 0.22 -0.02 0.00 -1.26 -4.68 105.19 99.39 1pfl n GLY 121 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pfl n GLY 121 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pfl h LEU 122 N 0.00 0.26 -0.92 0.99 -0.00 -1.99 -0.22 115.31 113.43 1pfl h LEU 122 Ca 0.00 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.72 1pfl h LEU 122 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 1pfl h LEU 122 CO 0.00 0.53 -0.07 0.40 -0.00 0.00 0.00 178.44 179.30 1pfl h ILE 123 N 0.23 1.25 -0.14 1.22 2.04 -1.96 0.32 117.51 120.46 1pfl h ILE 123 Ca 0.04 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1pfl h ILE 123 Cb 0.60 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1pfl h ILE 123 CO 0.04 0.37 0.08 -1.13 0.00 0.00 0.00 178.15 177.51 1pfl h ASN 124 N 0.66 0.17 1.09 1.72 -0.73 -1.34 0.97 115.58 118.12 1pfl h ASN 124 Ca 0.12 -0.01 -0.17 0.00 1.87 0.00 0.00 56.30 58.12 1pfl h ASN 124 Cb 0.51 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.03 1pfl h ASN 124 CO 0.03 0.14 -0.95 0.11 -0.37 0.00 0.00 177.43 176.39 1pfl h LYS 125 N 0.20 0.00 0.00 6.67 1.79 -0.32 -2.63 116.57 122.27 1pfl h LYS 125 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1pfl h LYS 125 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1pfl h LYS 125 CO -0.01 0.61 -0.48 1.63 -1.08 0.00 0.00 179.45 180.12 1pfl n LYS 126 N -3.18 0.01 -0.02 3.15 5.02 0.92 -2.50 118.16 121.57 1pfl n LYS 126 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1pfl n LYS 126 Cb 0.85 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 34.21 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 0.01 0.57 0.17 0.00 3.20 -1.45 -1.03 116.97 118.44 1pfl h TYR 128 Ca -0.31 -0.09 -0.31 0.00 3.14 0.00 0.00 58.73 61.16 1pfl h TYR 128 Cb 2.03 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 40.16 1pfl h TYR 128 CO 0.01 0.65 -1.42 0.93 -1.64 0.00 0.00 178.16 176.69 1pfl h GLU 129 N 0.48 0.36 -0.49 1.82 4.39 -1.52 0.55 114.58 120.18 1pfl h GLU 129 Ca 0.09 -0.61 0.03 0.00 0.34 0.00 0.00 59.36 59.20 1pfl h GLU 129 Cb 0.53 0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 1pfl h GLU 129 CO 0.03 1.27 0.28 1.98 -1.16 0.00 0.00 179.01 181.42 1pfl h MET 130 N 0.10 0.53 0.00 2.33 4.05 -1.12 -1.09 114.93 119.73 1pfl h MET 130 Ca -0.21 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.18 1pfl h MET 130 Cb 2.05 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.73 1pfl h MET 130 CO 0.22 0.35 -0.39 0.00 0.23 0.00 0.00 176.91 177.32 1pfl n ALA 131 N -2.29 2.72 0.02 0.39 0.00 -0.41 -3.27 120.51 117.69 1pfl n ALA 131 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.32 1pfl n ALA 131 Cb 0.09 -1.28 0.36 0.00 0.00 0.00 0.00 19.45 18.62 1pfl n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pfl h SER 132 N 0.00 0.43 0.40 0.00 4.64 0.14 0.27 113.55 119.45 1pfl h SER 132 Ca 0.00 -0.06 -0.31 0.00 -0.47 0.00 0.00 61.79 60.95 1pfl h SER 132 Cb 0.72 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1pfl h SER 132 CO 0.00 0.46 -1.46 -0.74 -0.87 0.00 0.00 176.83 174.22 1pfl h HIS 133 N 0.47 0.70 0.00 4.77 2.76 -1.54 -2.19 115.15 120.11 1pfl h HIS 133 Ca 0.11 -0.51 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1pfl h HIS 133 Cb 0.21 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1pfl h HIS 133 CO 0.01 1.46 0.00 1.28 -1.30 0.00 0.00 177.93 179.38 1pfl n LEU 134 N -3.59 0.22 0.00 0.26 4.32 -0.75 0.11 117.00 117.56 1pfl n LEU 134 Ca -0.15 0.57 -0.22 0.00 -0.02 0.00 0.00 56.01 56.19 1pfl n LEU 134 Cb 1.07 -0.55 -0.14 0.00 -1.62 0.00 0.00 43.42 42.18 1pfl n LEU 134 CO 0.55 -0.44 -0.63 0.03 -1.22 0.00 0.00 177.39 175.68 1pfl h ARG 135 N 0.00 0.25 0.00 3.23 2.47 -0.44 -3.23 114.38 116.66 1pfl h ARG 135 Ca 0.00 -0.42 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1pfl h ARG 135 Cb 0.21 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1pfl h ARG 135 CO 0.00 1.20 0.00 0.54 0.56 0.00 0.00 179.97 182.27 1pfl n ARG 136 N -3.74 0.35 0.20 0.04 1.74 -0.59 -2.39 116.66 112.26 1pfl n ARG 136 Ca -0.29 0.05 0.09 0.00 -0.77 0.00 0.00 57.85 56.93 1pfl n ARG 136 Cb 0.97 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 31.07 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pfl h SER 137 N 0.00 0.00 -0.83 0.55 4.64 0.74 -3.47 113.55 115.18 1pfl h SER 137 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1pfl h SER 137 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1pfl h SER 137 CO 0.00 0.18 -0.16 1.67 -0.87 0.00 0.00 176.83 177.65 1pfl n GLN 138 N -3.16 -0.51 0.00 4.77 -0.06 -1.01 -5.07 117.38 112.34 1pfl n GLN 138 Ca 0.03 0.39 0.14 0.00 -2.00 0.00 0.00 57.00 55.56 1pfl n GLN 138 Cb 0.58 -4.24 0.49 0.00 -4.06 0.00 0.00 30.24 23.01 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52