#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 -0.39 0.33 0.00 0.00 -1.26 -4.84 105.19 99.04 1pfl n GLY 2 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.89 -0.39 1.61 -0.00 -1.99 -1.14 115.95 113.14 1pfl h TRP 3 Ca 0.00 0.06 0.10 0.00 -0.00 0.00 0.00 58.89 59.05 1pfl h TRP 3 Cb 0.00 0.46 -0.02 0.00 -0.00 0.00 0.00 29.16 29.60 1pfl h TRP 3 CO 0.00 -0.38 0.28 -0.91 -0.00 0.00 0.00 178.44 177.43 1pfl h ASN 4 N -0.23 0.08 0.27 -3.49 2.35 -1.92 0.39 115.58 113.03 1pfl h ASN 4 Ca 0.19 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.78 1pfl h ASN 4 Cb 0.54 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1pfl h ASN 4 CO -0.57 0.05 -0.61 0.00 -1.65 0.00 0.00 177.43 174.65 1pfl h ALA 5 N 1.80 0.77 0.00 -0.83 0.00 -1.55 0.11 119.26 119.57 1pfl h ALA 5 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pfl h ALA 5 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1pfl h ALA 5 CO -0.02 0.72 0.00 1.88 0.00 0.00 0.00 179.25 181.84 1pfl h TYR 6 N 0.25 0.00 0.00 0.00 0.05 -0.43 0.91 116.97 117.75 1pfl h TYR 6 Ca -0.01 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.56 1pfl h TYR 6 Cb 1.14 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.84 1pfl h TYR 6 CO 0.03 0.00 -1.57 -0.89 -1.05 0.00 0.00 178.16 174.68 1pfl n ILE 7 N -2.62 1.30 0.29 -2.88 2.08 -0.68 -3.55 119.36 113.30 1pfl n ILE 7 Ca 0.01 -0.73 0.15 0.00 0.56 0.00 0.00 62.75 62.75 1pfl n ILE 7 Cb 0.26 -0.80 0.73 0.00 -0.75 0.00 0.00 39.64 39.08 1pfl n ILE 7 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1pfl h ASP 8 N 0.00 0.00 0.00 4.38 5.19 0.17 -3.03 116.42 123.13 1pfl h ASP 8 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1pfl h ASP 8 Cb 1.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.24 1pfl h ASP 8 CO 0.05 0.00 0.00 -3.20 -3.12 0.00 0.00 179.24 172.97 1pfl n ASN 9 N -2.61 0.00 -0.41 6.45 5.15 -0.87 -0.99 115.26 121.98 1pfl n ASN 9 Ca -0.00 0.90 0.37 0.00 -0.60 0.00 0.00 54.58 55.25 1pfl n ASN 9 Cb 0.15 -0.41 0.64 0.00 -0.53 0.00 0.00 39.78 39.64 1pfl n ASN 9 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1pfl n LEU 10 N -1.72 0.26 -0.02 1.20 7.99 -1.15 0.95 117.00 124.51 1pfl n LEU 10 Ca 0.00 1.47 -0.16 0.00 -0.01 0.00 0.00 56.01 57.32 1pfl n LEU 10 Cb 0.00 -0.72 -0.11 0.00 -0.11 0.00 0.00 43.42 42.48 1pfl n LEU 10 CO 0.00 -1.62 0.36 0.24 -1.51 0.00 0.00 177.39 174.86 1pfl h MET 11 N 0.00 0.26 -0.00 3.23 2.86 -1.50 -3.31 114.93 116.47 1pfl h MET 11 Ca 0.86 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 58.23 1pfl h MET 11 Cb 2.60 0.07 0.00 0.00 0.06 0.00 0.00 31.60 34.33 1pfl h MET 11 CO -0.57 0.97 -0.07 0.00 1.06 0.00 0.00 176.91 178.29 1pfl n ALA 12 N -2.55 2.67 0.94 6.32 0.00 0.27 -4.30 120.51 123.87 1pfl n ALA 12 Ca -0.10 -0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.23 1pfl n ALA 12 Cb 0.55 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.66 1pfl n ALA 12 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pfl n ASP 13 N -1.07 2.48 -2.38 0.00 5.68 0.11 -4.99 116.55 116.38 1pfl n ASP 13 Ca 0.15 -1.74 -0.12 0.00 -0.50 0.00 0.00 54.79 52.58 1pfl n ASP 13 Cb 0.26 0.21 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1pfl n ASP 13 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pfl n GLY 14 N 1.31 -0.24 2.04 6.12 0.00 -1.26 -4.13 105.19 109.03 1pfl n GLY 14 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.90 0.00 -2.88 2.61 -1.04 -1.26 -4.92 114.28 104.89 1pfl n THR 15 Ca 0.03 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 1pfl n THR 15 Cb 0.26 -0.33 -0.04 0.00 -1.82 0.00 0.00 70.33 68.40 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 8.37 0.30 0.00 0.00 -0.00 -0.67 -3.41 115.11 119.70 1pfl h GLN 17 Ca -0.24 -0.51 -0.43 0.00 -0.00 0.00 0.00 58.65 57.47 1pfl h GLN 17 Cb 1.09 0.19 -0.08 0.00 0.00 0.00 0.00 27.48 28.67 1pfl h GLN 17 CO 0.94 1.23 -0.32 -3.47 0.00 0.00 0.00 178.83 177.20 1pfl n ASP 18 N -3.50 2.37 -3.48 -0.69 2.03 -1.08 -4.79 116.55 107.41 1pfl n ASP 18 Ca -0.29 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.52 1pfl n ASP 18 Cb 1.06 0.39 -0.05 0.00 -0.72 0.00 0.00 41.12 41.80 1pfl n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pfl s ALA 19 N -2.65 -2.59 -0.29 -1.67 0.00 -1.26 -0.72 121.76 112.59 1pfl s ALA 19 Ca 0.05 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1pfl s ALA 19 Cb 0.00 -1.95 0.09 0.00 0.00 0.00 0.00 23.12 21.26 1pfl s ALA 19 CO 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 175.76 175.11 1pfl s ALA 20 N 2.00 1.90 -0.46 0.00 0.00 0.24 -2.53 121.76 122.92 1pfl s ALA 20 Ca -0.05 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 1pfl s ALA 20 Cb -0.05 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.48 1pfl s ALA 20 CO -0.16 -1.52 1.01 0.42 0.00 0.00 0.00 175.76 175.51 1pfl s ILE 21 N 1.42 4.38 -0.21 0.00 1.01 -0.92 -0.09 121.20 126.80 1pfl s ILE 21 Ca 0.05 0.96 0.02 0.00 0.00 0.00 0.00 60.65 61.68 1pfl s ILE 21 Cb -0.18 -4.49 0.04 0.00 0.01 0.00 0.00 42.46 37.83 1pfl s ILE 21 CO -0.15 -0.88 -0.15 -0.69 0.00 0.00 0.00 174.94 173.07 1pfl s VAL 22 N 4.00 1.98 -1.00 2.92 1.01 -0.51 -0.15 120.40 128.64 1pfl s VAL 22 Ca 0.41 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 1pfl s VAL 22 Cb -0.09 -1.93 -0.11 0.00 0.00 0.00 0.00 36.38 34.25 1pfl s VAL 22 CO 0.28 0.29 2.05 -0.83 0.00 0.00 0.00 175.10 176.90 1pfl s GLY 23 N 1.27 -0.23 -0.04 4.51 0.00 0.12 -1.63 107.32 111.32 1pfl s GLY 23 Ca -0.00 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1pfl s GLY 23 CO -0.10 3.78 1.21 1.58 0.00 0.00 0.00 173.10 179.57 1pfl n TYR 24 N 15.92 0.27 0.00 1.90 4.11 -1.26 -1.32 117.16 136.77 1pfl n TYR 24 Ca 0.43 -0.69 0.00 0.00 -0.00 0.00 0.00 57.90 57.64 1pfl n TYR 24 Cb 0.46 -0.35 0.00 0.00 -0.00 0.00 0.00 39.34 39.45 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 0.49 1.79 -0.31 -3.48 4.01 -1.26 -4.74 118.16 114.66 1pfl n LYS 25 Ca 0.05 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.77 1pfl n LYS 25 Cb 0.59 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.04 1pfl n LYS 25 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1pfl n ASP 26 N 0.00 -0.78 -4.47 4.39 5.75 -1.26 -3.78 116.55 116.40 1pfl n ASP 26 Ca 0.00 1.43 -0.35 0.00 -0.01 0.00 0.00 54.79 55.87 1pfl n ASP 26 Cb 0.00 -0.23 -0.12 0.00 -1.03 0.00 0.00 41.12 39.74 1pfl n ASP 26 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1pfl s SER 27 N -5.09 4.93 0.46 -1.12 1.04 -1.26 -5.06 113.70 107.61 1pfl s SER 27 Ca -0.09 -0.17 -0.19 0.00 0.48 0.00 0.00 55.95 55.98 1pfl s SER 27 Cb 0.08 -1.85 -0.10 0.00 0.10 0.00 0.00 66.02 64.26 1pfl s SER 27 CO 0.46 0.07 0.97 -2.16 0.98 0.00 0.00 173.24 173.55 1pfl s PRO 28 N 0.97 4.10 0.15 4.02 0.04 -1.25 -4.73 135.00 138.31 1pfl s PRO 28 Ca 0.02 1.07 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1pfl s PRO 28 Cb -0.14 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.28 1pfl s PRO 28 CO 0.02 -0.14 0.49 -1.54 0.04 0.00 0.00 177.00 175.86 1pfl s SER 29 N -2.49 -0.33 -0.64 6.66 1.04 -0.44 -4.79 113.70 112.71 1pfl s SER 29 Ca 0.61 -0.29 -0.21 0.00 0.48 0.00 0.00 55.95 56.55 1pfl s SER 29 Cb -0.10 0.54 0.09 0.00 0.10 0.00 0.00 66.02 66.65 1pfl s SER 29 CO 0.20 -0.94 0.86 -0.69 0.98 0.00 0.00 173.24 173.65 1pfl s VAL 30 N -3.81 4.55 0.18 5.02 1.01 -1.26 0.11 120.40 126.21 1pfl s VAL 30 Ca 0.04 -0.68 0.30 0.00 0.00 0.00 0.00 61.98 61.64 1pfl s VAL 30 Cb 0.00 -4.61 0.33 0.00 0.00 0.00 0.00 36.38 32.11 1pfl s VAL 30 CO -0.10 -1.32 1.97 -0.50 0.00 0.00 0.00 175.10 175.15 1pfl h TRP 31 N 9.37 0.00 0.00 5.22 4.06 -0.86 -3.42 115.95 130.32 1pfl h TRP 31 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 1pfl h TRP 31 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1pfl h TRP 31 CO 0.92 0.09 0.00 0.00 -3.56 0.00 0.00 178.44 175.89 1pfl n ALA 32 N -2.16 0.00 -3.01 1.49 0.00 -0.22 -4.92 120.51 111.70 1pfl n ALA 32 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1pfl n ALA 32 Cb 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 1pfl n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pfl s ALA 33 N 0.00 2.20 -0.30 0.00 0.00 -1.26 -2.15 121.76 120.25 1pfl s ALA 33 Ca 0.00 -1.00 -0.38 0.00 0.00 0.00 0.00 51.96 50.58 1pfl s ALA 33 Cb 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 23.12 22.20 1pfl s ALA 33 CO 0.00 0.34 1.95 0.28 0.00 0.00 0.00 175.76 178.33 1pfl n VAL 34 N 3.27 0.28 -2.70 0.00 0.31 -1.05 -4.71 118.33 113.73 1pfl n VAL 34 Ca -0.18 -0.13 -0.39 0.00 -0.01 0.00 0.00 64.34 63.62 1pfl n VAL 34 Cb 0.53 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 31.99 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 4.76 4.74 0.00 5.55 0.04 -1.26 -4.07 135.00 144.76 1pfl s PRO 35 Ca 1.03 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1pfl s PRO 35 Cb -0.98 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1pfl s PRO 35 CO 0.58 0.40 0.00 0.41 0.04 0.00 0.00 177.00 178.43 1pfl n GLY 36 N 1.21 1.89 0.00 0.56 0.00 -1.26 -5.04 105.19 102.55 1pfl n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.32 0.00 0.00 1.61 4.76 -1.26 -5.10 118.16 117.86 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 -0.32 -0.18 -1.04 -1.26 -4.98 114.28 106.50 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 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.00 -1.42 -1.00 -1.87 -1.92 116.94 111.88 1pfl h PHE 39 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1pfl h PHE 39 Cb 0.00 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 39.18 1pfl h PHE 39 CO 0.00 0.75 0.00 -0.24 -1.61 0.00 0.00 178.31 177.21 1pfl h VAL 40 N 1.20 0.00 -0.27 -0.55 3.04 -1.84 0.13 116.25 117.96 1pfl h VAL 40 Ca 0.32 -0.01 -0.08 0.00 -1.01 0.00 0.00 66.70 65.92 1pfl h VAL 40 Cb -0.07 0.84 -0.05 0.00 -2.01 0.00 0.00 31.29 30.00 1pfl h VAL 40 CO -0.06 0.00 0.10 0.59 -1.01 0.00 0.00 177.57 177.19 1pfl n ASN 41 N -2.81 2.96 -4.69 3.17 4.13 -0.72 -4.79 115.26 112.52 1pfl n ASN 41 Ca -0.02 -2.44 -0.42 0.00 1.68 0.00 0.00 54.58 53.37 1pfl n ASN 41 Cb 0.06 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 37.68 1pfl n ASN 41 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pfl s ILE 42 N -1.47 4.23 0.55 2.41 1.01 0.47 -4.33 121.20 124.07 1pfl s ILE 42 Ca 0.20 1.56 0.03 0.00 0.00 0.00 0.00 60.65 62.44 1pfl s ILE 42 Cb 0.16 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1pfl s ILE 42 CO 0.05 -0.00 0.23 0.42 0.00 0.00 0.00 174.94 175.64 1pfl s THR 43 N 2.23 1.29 -2.00 2.92 -4.23 -1.26 -4.67 115.64 109.92 1pfl s THR 43 Ca 0.56 -1.72 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1pfl s THR 43 Cb -0.25 -2.01 0.46 0.00 1.34 0.00 0.00 72.50 72.03 1pfl s THR 43 CO 0.22 0.00 1.37 -0.81 -0.54 0.00 0.00 174.62 174.86 1pfl n PRO 44 N -1.59 0.51 -0.04 3.99 -0.04 -1.26 -1.72 135.00 134.86 1pfl n PRO 44 Ca -0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 1pfl n PRO 44 Cb 0.66 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 3.00 0.00 -0.27 0.55 0.00 -1.96 0.32 119.26 120.91 1pfl h ALA 45 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1pfl h ALA 45 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pfl h ALA 45 CO 0.00 0.15 0.11 1.05 0.00 0.00 0.00 179.25 180.56 1pfl h GLU 46 N -0.67 0.36 0.00 0.00 9.09 -1.76 0.75 114.58 122.36 1pfl h GLU 46 Ca 0.00 -0.04 -0.06 0.00 0.05 0.00 0.00 59.36 59.31 1pfl h GLU 46 Cb 0.15 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 1pfl h GLU 46 CO 0.00 0.30 -0.48 0.28 0.05 0.00 0.00 179.01 179.16 1pfl h VAL 47 N 0.37 0.43 0.00 -1.06 2.07 -1.48 -2.73 116.25 113.85 1pfl h VAL 47 Ca 0.09 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1pfl h VAL 47 Cb 0.07 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1pfl h VAL 47 CO -0.01 0.24 -0.04 1.23 0.02 0.00 0.00 177.57 179.01 1pfl h GLY 48 N 3.75 0.00 0.21 2.17 0.00 0.21 -0.65 103.07 108.76 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 -2.28 1.55 0.00 0.00 0.00 176.54 175.84 1pfl n VAL 49 N -4.47 1.50 0.30 4.60 3.14 -1.11 0.01 118.33 122.31 1pfl n VAL 49 Ca -0.03 -0.72 0.19 0.00 -2.96 0.00 0.00 64.34 60.82 1pfl n VAL 49 Cb 0.13 -1.03 0.92 0.00 -1.06 0.00 0.00 33.84 32.79 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 -1.25 -3.30 115.31 120.70 1pfl h LEU 50 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1pfl h LEU 50 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1pfl h LEU 50 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.86 1pfl n VAL 51 N -2.91 0.00 -0.41 1.22 0.24 -0.27 -5.05 118.33 111.14 1pfl n VAL 51 Ca -0.01 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.08 1pfl n VAL 51 Cb 0.15 1.02 0.19 0.00 -1.47 0.00 0.00 33.84 33.74 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 -2.93 0.15 7.63 0.00 0.10 -4.90 105.19 105.24 1pfl n GLY 52 Ca 0.00 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.07 0.00 -6.44 1.61 5.09 -1.93 -3.47 116.57 108.36 1pfl h LYS 53 Ca -0.27 0.00 -0.62 0.00 0.09 0.00 0.00 60.65 59.85 1pfl h LYS 53 Cb 0.89 0.00 0.08 0.00 0.10 0.00 0.00 32.23 33.30 1pfl h LYS 53 CO 0.16 0.03 0.43 -3.47 -2.09 0.00 0.00 179.45 174.51 1pfl n ASP 54 N -2.85 1.98 -2.71 7.07 -0.08 -1.26 -4.91 116.55 113.79 1pfl n ASP 54 Ca 0.01 1.14 -0.10 0.00 -1.51 0.00 0.00 54.79 54.33 1pfl n ASP 54 Cb 0.56 -1.31 0.03 0.00 2.34 0.00 0.00 41.12 42.74 1pfl n ASP 54 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1pfl n ARG 55 N 1.93 1.13 0.00 -0.67 1.85 -1.26 -4.88 116.66 114.76 1pfl n ARG 55 Ca 0.14 -3.16 0.00 0.00 -1.00 0.00 0.00 57.85 53.82 1pfl n ARG 55 Cb 0.27 -1.21 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1pfl n SER 56 N -0.06 0.00 0.00 2.89 2.88 -1.26 -5.04 113.62 113.03 1pfl n SER 56 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1pfl n SER 56 Cb 0.81 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.00 0.00 0.21 -3.46 3.41 -1.26 -4.55 113.62 107.98 1pfl n SER 57 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1pfl n SER 57 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.06 0.00 0.02 7.33 1.16 -1.26 -1.78 117.46 122.87 1pfl n PHE 58 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1pfl n PHE 58 Cb 0.00 -0.04 0.01 0.00 -1.61 0.00 0.00 39.48 37.84 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 -2.39 0.00 0.00 2.97 4.01 -1.26 -0.43 117.16 120.06 1pfl n TYR 59 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1pfl n TYR 59 Cb 0.96 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 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 -1.48 0.00 -0.07 -0.72 0.24 -0.73 -4.61 118.33 110.96 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 0.01 -0.79 -0.12 0.00 -1.47 0.00 0.00 33.84 31.46 1pfl n VAL 60 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1pfl n ASN 61 N -1.94 1.98 0.00 -1.34 0.23 -1.11 -4.90 115.26 108.17 1pfl n ASN 61 Ca 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.35 1pfl n ASN 61 Cb 0.44 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 37.26 1pfl n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfl n GLY 62 N 1.68 3.75 0.00 4.83 0.00 0.43 -4.31 105.19 111.57 1pfl n GLY 62 Ca -0.35 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 0.31 -4.46 117.00 114.97 1pfl n LEU 63 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 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 -0.04 0.40 0.42 -1.33 0.00 0.00 177.39 176.84 1pfl s THR 64 N 0.00 0.00 -0.29 -5.08 -4.23 -1.26 -2.26 115.64 102.53 1pfl s THR 64 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 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 0.11 -1.48 -0.54 0.00 0.00 174.62 172.71 1pfl s LEU 65 N 1.17 1.21 -0.44 4.79 0.05 -0.83 -4.26 118.68 120.36 1pfl s LEU 65 Ca -0.06 -1.36 -0.01 0.00 0.05 0.00 0.00 54.13 52.75 1pfl s LEU 65 Cb -0.05 -0.55 0.00 0.00 -2.05 0.00 0.00 46.19 43.54 1pfl s LEU 65 CO -0.12 -0.42 0.10 0.61 -0.55 0.00 0.00 176.35 175.97 1pfl n GLY 66 N 5.09 0.27 2.01 -3.48 0.00 -1.25 -2.67 105.19 105.15 1pfl n GLY 66 Ca -0.05 -0.58 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.97 0.47 3.10 -0.02 0.00 -1.26 -4.88 105.19 101.63 1pfl n GLY 67 Ca -0.04 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.51 2.03 0.05 1.61 2.00 -1.09 -5.07 119.66 118.68 1pfl s GLN 68 Ca 0.00 -1.93 -0.30 0.00 -2.00 0.00 0.00 55.36 51.12 1pfl s GLN 68 Cb 0.00 -3.57 -0.09 0.00 0.80 0.00 0.00 33.01 30.16 1pfl s GLN 68 CO 0.00 -1.08 1.85 -1.59 -0.50 0.00 0.00 175.29 173.97 1pfl s LYS 69 N 0.93 4.15 -0.08 1.67 -2.85 -1.26 -1.96 119.74 120.35 1pfl s LYS 69 Ca 0.10 2.51 0.04 0.00 -1.00 0.00 0.00 55.97 57.62 1pfl s LYS 69 Cb -0.22 -3.91 -0.01 0.00 -2.06 0.00 0.00 37.83 31.62 1pfl s LYS 69 CO -0.04 -0.88 -0.21 0.00 0.10 0.00 0.00 175.35 174.32 1pfl s SER 71 N -0.07 5.53 -0.04 0.00 1.04 -0.78 0.11 113.70 119.49 1pfl s SER 71 Ca -0.05 1.56 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 1pfl s SER 71 Cb -0.14 -2.47 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1pfl s SER 71 CO 0.04 -1.34 0.14 -0.69 0.98 0.00 0.00 173.24 172.37 1pfl s VAL 72 N -3.08 5.24 -0.40 5.02 1.01 -1.26 0.58 120.40 127.51 1pfl s VAL 72 Ca 0.57 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1pfl s VAL 72 Cb -0.13 -3.38 0.23 0.00 0.00 0.00 0.00 36.38 33.10 1pfl s VAL 72 CO 0.55 0.43 0.49 -0.38 0.00 0.00 0.00 175.10 176.19 1pfl n ILE 73 N 1.35 -0.79 0.00 2.22 -0.00 0.34 -4.88 119.36 117.61 1pfl n ILE 73 Ca -0.14 -3.82 0.00 0.00 -0.00 0.00 0.00 62.75 58.79 1pfl n ILE 73 Cb 0.53 -1.81 0.00 0.00 -0.00 0.00 0.00 39.64 38.36 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 1.72 0.00 -2.25 0.38 0.63 -1.26 -3.41 116.66 112.46 1pfl n ARG 74 Ca 0.23 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.75 1pfl n ARG 74 Cb 0.52 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.40 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 5.76 -0.04 6.15 -1.08 -1.26 -3.16 116.67 122.61 1pfl s ASP 75 Ca 0.00 0.21 0.09 0.00 -0.52 0.00 0.00 52.55 52.33 1pfl s ASP 75 Cb 0.00 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 39.08 1pfl s ASP 75 CO 0.00 -2.02 1.08 -1.20 0.52 0.00 0.00 175.17 173.55 1pfl n SER 76 N 10.91 0.80 0.20 -0.34 7.64 -0.94 -4.85 113.62 127.04 1pfl n SER 76 Ca 0.14 -2.37 0.12 0.00 1.01 0.00 0.00 58.87 57.77 1pfl n SER 76 Cb 0.50 -0.29 0.62 0.00 -1.01 0.00 0.00 64.21 64.03 1pfl n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1pfl h LEU 77 N 0.24 0.00 -8.87 -3.43 5.85 -1.68 0.67 115.31 108.09 1pfl h LEU 77 Ca -0.04 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 58.05 1pfl h LEU 77 Cb 1.37 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.21 1pfl h LEU 77 CO 0.02 0.00 -0.60 -0.76 -0.34 0.00 0.00 178.44 176.75 1pfl s LEU 78 N -4.69 3.58 -0.25 2.25 1.43 -1.26 -4.16 118.68 115.58 1pfl s LEU 78 Ca -0.03 -0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1pfl s LEU 78 Cb 0.07 -1.92 -0.11 0.00 0.03 0.00 0.00 46.19 44.26 1pfl s LEU 78 CO 0.21 0.09 1.22 0.00 0.23 0.00 0.00 176.35 178.09 1pfl n GLN 79 N 4.09 0.02 -1.06 1.70 0.00 -1.26 -4.05 117.38 116.83 1pfl n GLN 79 Ca -0.16 -0.53 -0.11 0.00 0.00 0.00 0.00 57.00 56.20 1pfl n GLN 79 Cb 0.52 -1.89 0.27 0.00 0.00 0.00 0.00 30.24 29.14 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 8.46 4.39 0.00 2.61 2.03 -1.26 -4.74 116.55 128.04 1pfl n ASP 80 Ca 0.16 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 52.11 1pfl n ASP 80 Cb 0.42 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pfl n GLY 81 N -0.50 1.41 2.19 0.27 0.00 -1.26 -4.94 105.19 102.36 1pfl n GLY 81 Ca 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.01 0.00 -0.62 1.61 -0.58 -1.26 -5.00 120.64 113.78 1pfl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pfl n GLU 82 Cb 0.18 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 1pfl n GLU 82 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1pfl n PHE 83 N -3.46 0.00 -3.79 -0.32 -1.74 0.23 -4.87 117.46 103.51 1pfl n PHE 83 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.53 1pfl n PHE 83 Cb 0.00 -1.50 -0.07 0.00 1.52 0.00 0.00 39.48 39.43 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 -1.52 6.25 -0.08 5.98 1.04 -0.88 -1.93 113.70 122.55 1pfl s SER 84 Ca 0.00 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.74 1pfl s SER 84 Cb 0.00 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 64.06 1pfl s SER 84 CO 0.00 0.26 -0.10 -0.32 0.98 0.00 0.00 173.24 174.06 1pfl s MET 85 N -0.10 1.59 -1.21 4.02 1.75 -0.51 -2.21 119.30 122.63 1pfl s MET 85 Ca 0.10 -0.33 -0.13 0.00 -1.25 0.00 0.00 55.69 54.08 1pfl s MET 85 Cb -0.11 -1.45 0.17 0.00 2.84 0.00 0.00 34.83 36.28 1pfl s MET 85 CO 0.00 -0.10 1.45 -0.25 -0.65 0.00 0.00 175.02 175.47 1pfl n ASP 86 N 4.29 5.23 -4.58 1.11 9.92 -1.19 -1.38 116.55 129.96 1pfl n ASP 86 Ca -0.19 -2.99 -0.39 0.00 -0.53 0.00 0.00 54.79 50.69 1pfl n ASP 86 Cb 0.51 -1.56 -0.10 0.00 -0.64 0.00 0.00 41.12 39.33 1pfl n ASP 86 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1pfl s LEU 87 N 1.40 4.16 -0.12 0.64 -0.00 -0.24 0.13 118.68 124.65 1pfl s LEU 87 Ca 0.42 0.05 0.01 0.00 -0.00 0.00 0.00 54.13 54.61 1pfl s LEU 87 Cb -0.02 -2.32 -0.01 0.00 -0.00 0.00 0.00 46.19 43.83 1pfl s LEU 87 CO 0.00 -0.20 -0.15 0.00 -0.00 0.00 0.00 176.35 176.00 1pfl s ARG 88 N 1.98 3.27 -0.80 1.48 1.70 0.20 -1.34 118.95 125.43 1pfl s ARG 88 Ca 0.12 -0.72 -0.24 0.00 -0.47 0.00 0.00 55.73 54.42 1pfl s ARG 88 Cb -0.16 -2.56 -0.16 0.00 -0.57 0.00 0.00 34.95 31.50 1pfl s ARG 88 CO 0.11 0.24 2.39 0.25 -1.08 0.00 0.00 175.30 177.21 1pfl n THR 89 N 3.43 -0.01 -1.49 4.99 -2.24 0.25 -1.86 114.28 117.36 1pfl n THR 89 Ca -0.18 -0.52 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 1pfl n THR 89 Cb 0.53 -1.79 0.17 0.00 -2.10 0.00 0.00 70.33 67.13 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 8.66 0.55 0.21 -0.78 1.02 -1.26 -1.58 119.74 126.56 1pfl s LYS 90 Ca 0.99 0.11 0.05 0.00 0.02 0.00 0.00 55.97 57.13 1pfl s LYS 90 Cb -0.23 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.24 1pfl s LYS 90 CO 0.16 -2.56 -0.05 0.45 -0.92 0.00 0.00 175.35 172.42 1pfl s SER 91 N -4.12 2.02 -0.28 2.83 0.15 -1.26 -4.75 113.70 108.29 1pfl s SER 91 Ca 0.67 -1.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 1pfl s SER 91 Cb -0.12 -0.03 0.17 0.00 -1.71 0.00 0.00 66.02 64.32 1pfl s SER 91 CO 0.54 -0.40 0.52 0.42 1.20 0.00 0.00 173.24 175.52 1pfl s THR 92 N -3.29 -0.86 0.00 6.45 -4.23 -1.26 -4.89 115.64 107.55 1pfl s THR 92 Ca 0.25 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 1pfl s THR 92 Cb 0.04 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.94 1pfl s THR 92 CO 0.07 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1pfl n GLY 93 N 5.41 0.59 2.45 3.99 0.00 -1.26 -4.44 105.19 111.93 1pfl n GLY 93 Ca -0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 1.07 3.91 -0.02 0.00 -1.26 -4.99 105.19 103.90 1pfl n GLY 94 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.72 2.92 -0.07 4.61 0.00 -1.26 -5.06 121.76 120.18 1pfl s ALA 95 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.10 1pfl s ALA 95 Cb 0.00 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.25 1pfl s ALA 95 CO 0.00 -1.38 0.43 -1.25 0.00 0.00 0.00 175.76 173.56 1pfl s PRO 96 N -5.38 4.15 0.24 0.00 0.04 -1.26 -4.71 135.00 128.09 1pfl s PRO 96 Ca 0.60 0.41 0.07 0.00 0.04 0.00 0.00 61.00 62.11 1pfl s PRO 96 Cb -0.11 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1pfl s PRO 96 CO 0.48 0.41 0.21 0.95 0.04 0.00 0.00 177.00 179.08 1pfl s THR 97 N -0.18 4.53 -0.08 1.26 -4.23 -1.26 -4.55 115.64 111.14 1pfl s THR 97 Ca 0.24 -1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 59.36 1pfl s THR 97 Cb -0.16 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.27 1pfl s THR 97 CO 0.11 -0.33 0.20 -0.36 -0.54 0.00 0.00 174.62 173.70 1pfl s PHE 98 N -2.09 -0.24 -0.11 3.99 0.08 -0.61 -4.57 117.98 114.42 1pfl s PHE 98 Ca 0.33 0.60 -0.04 0.00 0.12 0.00 0.00 56.93 57.94 1pfl s PHE 98 Cb -0.08 0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.36 1pfl s PHE 98 CO 0.25 -0.16 0.04 -0.80 -0.10 0.00 0.00 175.22 174.44 1pfl s ASN 99 N 0.78 5.49 0.09 1.36 0.01 -0.18 0.88 114.94 123.36 1pfl s ASN 99 Ca -0.06 0.18 0.08 0.00 -0.71 0.00 0.00 52.86 52.35 1pfl s ASN 99 Cb -0.07 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.87 1pfl s ASN 99 CO -0.04 0.34 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.99 1pfl s VAL 100 N -0.63 1.66 -0.13 1.60 1.01 -0.45 0.72 120.40 124.19 1pfl s VAL 100 Ca 0.11 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.65 1pfl s VAL 100 Cb -0.12 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1pfl s VAL 100 CO 0.02 -0.01 -0.15 -0.89 0.00 0.00 0.00 175.10 174.06 1pfl s THR 101 N -1.09 1.59 -0.24 3.92 2.01 -0.15 -1.08 115.64 120.60 1pfl s THR 101 Ca 0.06 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.34 1pfl s THR 101 Cb -0.10 -1.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1pfl s THR 101 CO 0.04 0.46 0.00 -0.69 -0.69 0.00 0.00 174.62 173.74 1pfl s VAL 102 N 1.21 3.65 -0.22 3.82 1.01 -0.48 -0.87 120.40 128.52 1pfl s VAL 102 Ca -0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1pfl s VAL 102 Cb -0.14 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1pfl s VAL 102 CO -0.06 0.33 -0.02 0.42 0.00 0.00 0.00 175.10 175.77 1pfl s THR 103 N 1.50 3.55 -0.17 3.92 -4.23 -0.60 -1.42 115.64 118.18 1pfl s THR 103 Ca 0.05 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1pfl s THR 103 Cb -0.15 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1pfl s THR 103 CO -0.01 0.41 0.03 -0.75 -0.54 0.00 0.00 174.62 173.76 1pfl s LYS 104 N 1.47 3.87 0.00 3.99 2.47 -0.81 -1.18 119.74 129.54 1pfl s LYS 104 Ca 0.05 -0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1pfl s LYS 104 Cb -0.14 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.11 1pfl s LYS 104 CO -0.02 0.26 0.00 0.25 0.16 0.00 0.00 175.35 176.00 1pfl n THR 105 N 3.55 0.00 0.39 3.43 -2.24 -0.83 -4.74 114.28 113.84 1pfl n THR 105 Ca -0.17 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 1pfl n THR 105 Cb 0.52 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.46 -0.68 3.42 2.03 -0.84 -4.57 116.55 116.36 1pfl n ASP 106 Ca 0.00 -0.25 -0.00 0.00 0.52 0.00 0.00 54.79 55.06 1pfl n ASP 106 Cb 0.00 1.31 -0.01 0.00 -0.72 0.00 0.00 41.12 41.70 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 -2.04 0.00 -3.88 -0.67 5.02 -0.46 -5.10 118.16 111.04 1pfl n LYS 107 Ca -0.00 -0.78 -0.11 0.00 -2.02 0.00 0.00 58.31 55.40 1pfl n LYS 107 Cb 0.48 -0.15 -0.09 0.00 -0.02 0.00 0.00 35.03 35.24 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 0.10 -0.60 -0.18 -4.23 -1.26 -4.52 115.64 104.96 1pfl s THR 108 Ca 0.04 -0.80 0.04 0.00 -1.18 0.00 0.00 61.69 59.79 1pfl s THR 108 Cb 0.05 -0.61 0.15 0.00 1.34 0.00 0.00 72.50 73.43 1pfl s THR 108 CO -0.02 -0.44 0.36 -0.22 -0.54 0.00 0.00 174.62 173.75 1pfl s LEU 109 N -1.65 4.50 0.24 4.79 0.20 -0.65 -1.96 118.68 124.16 1pfl s LEU 109 Ca -0.11 -3.37 -0.30 0.00 0.69 0.00 0.00 54.13 51.04 1pfl s LEU 109 Cb -0.05 -1.63 -0.09 0.00 -0.43 0.00 0.00 46.19 43.99 1pfl s LEU 109 CO -0.00 -0.17 1.01 -0.69 -0.29 0.00 0.00 176.35 176.20 1pfl s VAL 110 N -0.78 3.88 -0.01 1.68 1.01 -0.33 -1.42 120.40 124.43 1pfl s VAL 110 Ca 0.20 1.85 0.08 0.00 0.00 0.00 0.00 61.98 64.11 1pfl s VAL 110 Cb -0.17 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1pfl s VAL 110 CO -0.07 0.43 -0.25 -0.76 0.00 0.00 0.00 175.10 174.45 1pfl s LEU 111 N -1.15 2.06 -0.33 3.92 1.43 0.87 -1.55 118.68 123.93 1pfl s LEU 111 Ca 0.43 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1pfl s LEU 111 Cb -0.28 -1.28 0.10 0.00 0.03 0.00 0.00 46.19 44.76 1pfl s LEU 111 CO 0.35 0.30 0.09 -0.22 0.23 0.00 0.00 176.35 177.10 1pfl s LEU 112 N -0.65 3.17 0.20 1.79 1.98 -0.05 -0.59 118.68 124.53 1pfl s LEU 112 Ca 0.10 -1.87 -0.16 0.00 -2.89 0.00 0.00 54.13 49.31 1pfl s LEU 112 Cb -0.10 -1.15 -0.08 0.00 0.66 0.00 0.00 46.19 45.53 1pfl s LEU 112 CO -0.01 -0.40 0.63 -0.32 -1.89 0.00 0.00 176.35 174.37 1pfl s MET 113 N 1.30 4.05 -0.04 1.98 -2.45 0.10 -0.98 119.30 123.27 1pfl s MET 113 Ca 0.11 0.61 0.03 0.00 -1.25 0.00 0.00 55.69 55.19 1pfl s MET 113 Cb -0.18 -2.82 0.00 0.00 1.25 0.00 0.00 34.83 33.08 1pfl s MET 113 CO -0.18 0.39 -0.12 0.20 1.05 0.00 0.00 175.02 176.36 1pfl s GLY 114 N -1.83 0.71 0.15 2.11 0.00 0.22 -0.01 107.32 108.68 1pfl s GLY 114 Ca 0.42 -0.46 0.08 0.00 0.00 0.00 0.00 44.72 44.77 1pfl s GLY 114 CO 0.20 -0.12 -0.19 0.54 0.00 0.00 0.00 173.10 173.53 1pfl s LYS 115 N 0.26 1.24 0.00 2.90 1.02 -0.89 -1.02 119.74 123.26 1pfl s LYS 115 Ca -0.06 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1pfl s LYS 115 Cb -0.11 -1.36 0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1pfl s LYS 115 CO 0.02 0.29 0.00 -1.91 -0.92 0.00 0.00 175.35 172.82 1pfl n GLU 116 N 0.50 0.00 -1.09 1.68 4.07 -1.26 -3.27 120.64 121.27 1pfl n GLU 116 Ca -0.15 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 56.92 1pfl n GLU 116 Cb 0.56 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.93 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 0.62 3.39 8.31 0.00 -1.26 -4.79 105.19 111.45 1pfl n GLY 117 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.01 5.01 0.02 1.61 0.11 -1.20 -4.75 120.40 119.19 1pfl s VAL 118 Ca 0.00 -0.97 0.11 0.00 -2.93 0.00 0.00 61.98 58.18 1pfl s VAL 118 Cb 0.00 -3.92 -0.22 0.00 -1.53 0.00 0.00 36.38 30.71 1pfl s VAL 118 CO 0.00 -0.45 0.89 -0.74 -3.33 0.00 0.00 175.10 171.47 1pfl h HIS 119 N 8.63 0.00 0.00 1.54 2.76 -1.92 -3.45 115.15 122.71 1pfl h HIS 119 Ca -0.27 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 1pfl h HIS 119 Cb 1.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1pfl h HIS 119 CO 0.60 1.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.64 1pfl n GLY 120 N 1.48 2.91 0.11 5.26 0.00 -1.26 -4.86 105.19 108.83 1pfl n GLY 120 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 0.27 1.50 -0.02 0.00 -1.98 -2.20 103.07 100.65 1pfl h GLY 121 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 47.33 46.45 1pfl h GLY 121 CO 0.00 0.61 -0.70 1.41 0.00 0.00 0.00 176.54 177.87 1pfl h LEU 122 N 0.07 0.58 -0.70 3.11 3.38 -1.99 -1.01 115.31 118.75 1pfl h LEU 122 Ca -0.27 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.22 1pfl h LEU 122 Cb 2.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1pfl h LEU 122 CO 0.15 1.11 -0.21 0.40 0.09 0.00 0.00 178.44 179.97 1pfl h ILE 123 N 0.35 1.27 0.00 1.22 2.04 -1.96 0.95 117.51 121.37 1pfl h ILE 123 Ca -0.03 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 1pfl h ILE 123 Cb 1.27 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1pfl h ILE 123 CO 0.13 0.44 -0.14 -1.13 0.00 0.00 0.00 178.15 177.45 1pfl h ASN 124 N 0.68 0.00 0.87 1.72 -0.73 -0.97 0.56 115.58 117.71 1pfl h ASN 124 Ca 0.10 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.03 1pfl h ASN 124 Cb 0.72 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.29 1pfl h ASN 124 CO 0.06 0.14 -1.09 0.11 -0.37 0.00 0.00 177.43 176.28 1pfl h LYS 125 N 0.00 0.10 0.00 6.67 1.79 0.16 -2.31 116.57 122.97 1pfl h LYS 125 Ca -0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1pfl h LYS 125 Cb 0.27 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1pfl h LYS 125 CO 0.02 1.08 -0.47 1.63 -1.08 0.00 0.00 179.45 180.62 1pfl n LYS 126 N -3.41 0.18 0.00 3.15 5.02 0.19 -2.60 118.16 120.69 1pfl n LYS 126 Ca -0.03 0.06 -0.15 0.00 -2.02 0.00 0.00 58.31 56.17 1pfl n LYS 126 Cb 0.97 -1.62 -0.14 0.00 -0.02 0.00 0.00 35.03 34.22 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 0.04 0.44 0.01 0.00 3.20 -1.48 -1.63 116.97 117.55 1pfl h TYR 128 Ca -0.34 -0.11 -0.26 0.00 3.14 0.00 0.00 58.73 61.16 1pfl h TYR 128 Cb 2.02 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 40.15 1pfl h TYR 128 CO 0.04 0.67 -1.40 0.93 -1.64 0.00 0.00 178.16 176.77 1pfl h GLU 129 N 0.33 0.02 -0.64 1.82 5.08 -1.58 -1.17 114.58 118.44 1pfl h GLU 129 Ca 0.04 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1pfl h GLU 129 Cb 0.75 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1pfl h GLU 129 CO 0.06 0.76 0.26 1.98 -1.00 0.00 0.00 179.01 181.07 1pfl h MET 130 N 0.01 0.96 0.00 2.33 4.05 -1.12 -0.92 114.93 120.23 1pfl h MET 130 Ca -0.17 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.06 1pfl h MET 130 Cb 1.91 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 32.55 1pfl h MET 130 CO 0.11 0.81 -0.11 0.00 0.23 0.00 0.00 176.91 177.95 1pfl h ALA 131 N 1.11 0.94 -0.36 0.39 0.00 -1.38 -3.02 119.26 116.93 1pfl h ALA 131 Ca 0.21 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1pfl h ALA 131 Cb 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1pfl h ALA 131 CO -0.02 0.14 0.25 0.77 0.00 0.00 0.00 179.25 180.38 1pfl h SER 132 N 0.00 0.28 0.18 0.00 0.02 0.14 0.54 113.55 114.71 1pfl h SER 132 Ca -0.00 -0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 1pfl h SER 132 Cb 1.03 -0.06 0.03 0.00 0.14 0.00 0.00 62.40 63.54 1pfl h SER 132 CO 0.01 0.19 -1.33 -0.74 -1.14 0.00 0.00 176.83 173.82 1pfl h HIS 133 N 0.33 1.00 0.00 3.45 2.76 -1.37 -2.11 115.15 119.20 1pfl h HIS 133 Ca 0.15 -0.67 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 1pfl h HIS 133 Cb 0.20 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1pfl h HIS 133 CO -0.00 1.51 0.00 1.28 -1.30 0.00 0.00 177.93 179.42 1pfl n LEU 134 N -3.78 0.02 0.01 0.26 4.32 -0.09 0.63 117.00 118.37 1pfl n LEU 134 Ca -0.15 0.50 -0.22 0.00 -0.02 0.00 0.00 56.01 56.13 1pfl n LEU 134 Cb 1.03 -0.50 -0.14 0.00 -1.62 0.00 0.00 43.42 42.19 1pfl n LEU 134 CO 0.59 -0.32 -0.77 0.03 -1.22 0.00 0.00 177.39 175.69 1pfl h ARG 135 N 0.00 0.27 0.00 3.23 2.47 0.09 -3.23 114.38 117.21 1pfl h ARG 135 Ca 0.00 -0.46 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1pfl h ARG 135 Cb 0.19 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1pfl h ARG 135 CO 0.00 1.22 0.00 0.54 0.56 0.00 0.00 179.97 182.29 1pfl n ARG 136 N -3.53 0.17 0.12 0.04 1.74 -0.48 -2.34 116.66 112.38 1pfl n ARG 136 Ca -0.31 0.09 0.13 0.00 -0.77 0.00 0.00 57.85 56.98 1pfl n ARG 136 Cb 1.04 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.36 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 -0.92 0.55 4.64 0.18 -3.47 113.55 114.53 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 0.31 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 -0.17 1.67 -0.87 0.00 0.00 176.83 177.46 1pfl n GLN 138 N -2.35 -0.52 0.00 4.77 7.27 -0.99 -5.07 117.38 120.49 1pfl n GLN 138 Ca 0.05 0.33 0.01 0.00 0.07 0.00 0.00 57.00 57.47 1pfl n GLN 138 Cb 0.44 -4.19 0.01 0.00 2.41 0.00 0.00 30.24 28.90 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79