#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 0.48 0.26 0.00 0.00 -1.26 -4.89 105.19 99.78 1pfl n GLY 2 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.06 0.00 1.61 -0.00 -2.00 0.02 115.95 115.52 1pfl h TRP 3 Ca 0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1pfl h TRP 3 Cb 0.00 0.14 -0.00 0.00 -0.00 0.00 0.00 29.16 29.30 1pfl h TRP 3 CO 0.00 -0.21 -0.01 -2.95 -0.00 0.00 0.00 178.44 175.27 1pfl h ASN 4 N 0.10 0.00 0.20 -3.49 7.08 -1.92 -0.98 115.58 116.57 1pfl h ASN 4 Ca 0.38 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 53.32 1pfl h ASN 4 Cb 0.64 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.90 1pfl h ASN 4 CO -0.62 0.01 -1.12 0.00 -2.08 0.00 0.00 177.43 173.62 1pfl h ALA 5 N 1.99 0.13 0.00 4.14 0.00 -1.36 0.15 119.26 124.32 1pfl h ALA 5 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1pfl h ALA 5 Cb 0.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pfl h ALA 5 CO 0.00 0.75 0.00 0.66 0.00 0.00 0.00 179.25 180.66 1pfl n TYR 6 N -3.77 0.00 -0.02 0.00 4.01 -0.46 -0.58 117.16 116.34 1pfl n TYR 6 Ca -0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.54 1pfl n TYR 6 Cb 0.93 -0.50 -0.14 0.00 -0.31 0.00 0.00 39.34 39.32 1pfl n TYR 6 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1pfl n ILE 7 N -1.50 1.61 0.30 -0.72 2.08 -0.68 -3.39 119.36 117.07 1pfl n ILE 7 Ca 0.05 -0.79 0.19 0.00 0.56 0.00 0.00 62.75 62.75 1pfl n ILE 7 Cb 0.23 -1.06 0.93 0.00 -0.75 0.00 0.00 39.64 39.00 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 -0.80 4.38 3.32 0.18 -1.45 116.42 122.06 1pfl h ASP 8 Ca -0.29 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.88 1pfl h ASP 8 Cb 2.02 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.48 1pfl h ASP 8 CO 0.08 0.00 0.40 -1.13 -1.72 0.00 0.00 179.24 176.87 1pfl h ASN 9 N 0.00 0.49 -0.27 6.45 -1.24 -1.36 0.24 115.58 119.89 1pfl h ASN 9 Ca 0.00 0.08 -0.14 0.00 0.71 0.00 0.00 56.30 56.95 1pfl h ASN 9 Cb 0.16 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1pfl h ASN 9 CO 0.00 0.23 -0.33 -0.07 -1.29 0.00 0.00 177.43 175.97 1pfl h LEU 10 N 0.61 0.83 -0.49 0.34 -0.00 -1.47 0.72 115.31 115.86 1pfl h LEU 10 Ca 0.42 -0.35 -0.15 0.00 -0.00 0.00 0.00 57.88 57.80 1pfl h LEU 10 Cb 0.54 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 1pfl h LEU 10 CO -0.33 1.09 -0.72 0.24 -0.00 0.00 0.00 178.44 178.72 1pfl h MET 11 N 0.67 0.00 0.00 1.13 2.86 -1.10 -3.21 114.93 115.28 1pfl h MET 11 Ca 0.07 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1pfl h MET 11 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1pfl h MET 11 CO 0.08 0.72 -0.65 0.00 1.06 0.00 0.00 176.91 178.12 1pfl h ALA 12 N 1.28 0.72 -0.00 6.32 0.00 -0.20 -3.38 119.26 124.00 1pfl h ALA 12 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1pfl h ALA 12 Cb 1.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1pfl h ALA 12 CO 0.09 0.42 -0.02 -0.40 0.00 0.00 0.00 179.25 179.34 1pfl n ASP 13 N -3.03 0.31 -2.32 0.00 5.68 0.21 -4.92 116.55 112.48 1pfl n ASP 13 Ca -0.00 -0.86 -0.11 0.00 -0.50 0.00 0.00 54.79 53.32 1pfl n ASP 13 Cb 0.67 -0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.57 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 1.12 -0.25 0.00 6.12 0.00 -1.26 -4.22 105.19 106.71 1pfl n GLY 14 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.87 0.00 -0.65 2.61 -1.04 -1.26 -5.02 114.28 107.05 1pfl n THR 15 Ca 0.03 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.94 1pfl n THR 15 Cb 0.26 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.86 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 -2.66 0.00 -4.40 0.00 -0.06 -0.24 -4.04 117.38 105.98 1pfl n GLN 17 Ca 0.05 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.83 1pfl n GLN 17 Cb 0.20 -0.15 -0.08 0.00 -4.06 0.00 0.00 30.24 26.14 1pfl n GLN 17 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1pfl s ASP 18 N -2.37 2.10 -0.29 1.69 2.15 -1.09 -4.96 116.67 113.91 1pfl s ASP 18 Ca 0.00 -1.65 -0.16 0.00 0.43 0.00 0.00 52.55 51.17 1pfl s ASP 18 Cb 0.00 0.47 0.13 0.00 -0.30 0.00 0.00 42.92 43.23 1pfl s ASP 18 CO 0.00 -0.95 0.92 0.00 -0.17 0.00 0.00 175.17 174.97 1pfl s ALA 19 N -3.40 -2.21 -0.19 3.66 0.00 -1.26 -0.34 121.76 118.02 1pfl s ALA 19 Ca 0.32 2.24 -0.04 0.00 0.00 0.00 0.00 51.96 54.48 1pfl s ALA 19 Cb 0.03 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.55 1pfl s ALA 19 CO 0.19 -0.38 0.09 0.00 0.00 0.00 0.00 175.76 175.65 1pfl s ALA 20 N 1.46 0.56 -0.26 0.00 0.00 0.12 -1.68 121.76 121.97 1pfl s ALA 20 Ca -0.09 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 1pfl s ALA 20 Cb -0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.97 1pfl s ALA 20 CO -0.16 -1.24 0.86 0.42 0.00 0.00 0.00 175.76 175.64 1pfl s ILE 21 N 2.08 4.79 -0.19 0.00 1.01 -0.86 -0.06 121.20 127.98 1pfl s ILE 21 Ca 0.03 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1pfl s ILE 21 Cb -0.16 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.19 1pfl s ILE 21 CO -0.13 -0.13 -0.09 -0.69 0.00 0.00 0.00 174.94 173.90 1pfl s VAL 22 N 2.94 1.51 -0.93 2.92 1.01 -0.62 -0.39 120.40 126.83 1pfl s VAL 22 Ca 0.36 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1pfl s VAL 22 Cb -0.15 -1.61 -0.12 0.00 0.00 0.00 0.00 36.38 34.51 1pfl s VAL 22 CO 0.08 0.15 2.14 -0.83 0.00 0.00 0.00 175.10 176.65 1pfl s GLY 23 N 1.46 -0.41 -0.17 4.51 0.00 0.15 -1.62 107.32 111.24 1pfl s GLY 23 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1pfl s GLY 23 CO -0.08 3.90 1.63 1.58 0.00 0.00 0.00 173.10 180.13 1pfl n TYR 24 N 16.71 0.98 0.00 1.90 4.11 -1.26 -1.12 117.16 138.48 1pfl n TYR 24 Ca 0.43 -1.26 0.00 0.00 -0.00 0.00 0.00 57.90 57.08 1pfl n TYR 24 Cb 0.45 -0.62 0.00 0.00 -0.00 0.00 0.00 39.34 39.17 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 0.34 1.79 -0.11 -3.48 4.01 -1.26 -4.77 118.16 114.68 1pfl n LYS 25 Ca 0.19 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.87 1pfl n LYS 25 Cb 0.72 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.16 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 -1.63 -3.82 4.39 2.03 -2.01 -3.33 116.42 112.05 1pfl h ASP 26 Ca 0.00 0.23 -0.64 0.00 -0.73 0.00 0.00 57.03 55.88 1pfl h ASP 26 Cb 0.00 0.68 -0.17 0.00 -0.83 0.00 0.00 39.33 39.02 1pfl h ASP 26 CO 0.00 -0.40 -0.43 -0.94 -1.03 0.00 0.00 179.24 176.44 1pfl s SER 27 N -5.02 6.09 0.48 4.15 1.04 -1.26 -4.99 113.70 114.18 1pfl s SER 27 Ca -0.15 -0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.08 1pfl s SER 27 Cb 0.10 -2.15 -0.09 0.00 0.10 0.00 0.00 66.02 63.98 1pfl s SER 27 CO 0.63 -0.13 0.97 -2.16 0.98 0.00 0.00 173.24 173.54 1pfl s PRO 28 N 1.85 4.06 0.04 4.02 0.04 -1.25 -4.71 135.00 139.05 1pfl s PRO 28 Ca 0.09 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 61.95 1pfl s PRO 28 Cb -0.16 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1pfl s PRO 28 CO 0.11 -0.17 0.51 -1.54 0.04 0.00 0.00 177.00 175.94 1pfl s SER 29 N -2.64 -0.43 -0.68 6.66 1.04 -0.27 -4.87 113.70 112.51 1pfl s SER 29 Ca 0.61 0.17 -0.22 0.00 0.48 0.00 0.00 55.95 56.99 1pfl s SER 29 Cb -0.10 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.58 1pfl s SER 29 CO 0.23 -0.71 0.96 -0.69 0.98 0.00 0.00 173.24 174.01 1pfl s VAL 30 N -2.39 4.39 0.22 5.02 1.01 -1.26 0.29 120.40 127.68 1pfl s VAL 30 Ca -0.06 -0.52 0.26 0.00 0.00 0.00 0.00 61.98 61.66 1pfl s VAL 30 Cb -0.01 -4.68 0.26 0.00 0.00 0.00 0.00 36.38 31.95 1pfl s VAL 30 CO -0.01 -1.44 1.91 -0.50 0.00 0.00 0.00 175.10 175.06 1pfl h TRP 31 N 9.48 0.00 0.00 5.22 4.06 -1.04 -3.42 115.95 130.25 1pfl h TRP 31 Ca -0.25 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.70 1pfl h TRP 31 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 1pfl h TRP 31 CO 0.98 0.18 0.00 0.00 -3.56 0.00 0.00 178.44 176.04 1pfl n ALA 32 N -2.23 0.00 -3.15 1.49 0.00 -0.51 -4.94 120.51 111.17 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 0.36 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 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 2.16 -0.38 0.00 0.00 -1.26 -2.03 121.76 120.25 1pfl s ALA 33 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 51.96 50.62 1pfl s ALA 33 Cb 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 23.12 22.21 1pfl s ALA 33 CO 0.00 0.31 2.20 0.28 0.00 0.00 0.00 175.76 178.55 1pfl n VAL 34 N 3.44 0.15 -2.31 0.00 0.31 -0.68 -4.77 118.33 114.47 1pfl n VAL 34 Ca -0.19 -0.23 -0.36 0.00 -0.01 0.00 0.00 64.34 63.55 1pfl n VAL 34 Cb 0.53 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 31.95 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 6.29 3.73 0.00 5.55 0.04 -1.26 -3.56 135.00 145.79 1pfl s PRO 35 Ca 1.11 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1pfl s PRO 35 Cb -0.93 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1pfl s PRO 35 CO 0.51 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1pfl n GLY 36 N 0.34 2.80 0.00 0.56 0.00 -1.26 -5.01 105.19 102.62 1pfl n GLY 36 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.85 0.00 0.00 1.61 4.76 -1.23 -5.08 118.16 117.37 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 -0.34 -0.18 -1.04 -1.26 -4.97 114.28 106.49 1pfl n THR 38 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1pfl n THR 38 Cb 0.00 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.16 -0.17 -1.42 -1.00 -1.90 -1.98 116.94 111.62 1pfl h PHE 39 Ca 0.00 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.86 1pfl h PHE 39 Cb 0.00 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 39.16 1pfl h PHE 39 CO 0.00 0.72 0.31 -0.24 -1.61 0.00 0.00 178.31 177.48 1pfl h VAL 40 N 1.24 0.24 -0.48 -0.55 3.04 -1.86 0.34 116.25 118.22 1pfl h VAL 40 Ca 0.35 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.79 1pfl h VAL 40 Cb -0.11 0.73 -0.14 0.00 -2.01 0.00 0.00 31.29 29.75 1pfl h VAL 40 CO -0.08 0.00 0.31 0.59 -1.01 0.00 0.00 177.57 177.37 1pfl n ASN 41 N -3.40 3.36 -4.57 3.17 4.13 -0.74 -4.78 115.26 112.44 1pfl n ASN 41 Ca 0.02 -2.77 -0.29 0.00 1.68 0.00 0.00 54.58 53.22 1pfl n ASN 41 Cb 0.41 -0.66 0.19 0.00 -1.54 0.00 0.00 39.78 38.19 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 -1.61 1.96 0.39 2.41 1.01 0.12 -4.38 121.20 121.10 1pfl s ILE 42 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.79 1pfl s ILE 42 Cb 0.23 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 40.30 1pfl s ILE 42 CO 0.05 0.00 0.76 0.42 0.00 0.00 0.00 174.94 176.18 1pfl s THR 43 N -2.93 0.00 -2.00 2.92 -4.23 -1.26 -4.94 115.64 103.20 1pfl s THR 43 Ca 0.66 -1.06 0.17 0.00 -1.18 0.00 0.00 61.69 60.28 1pfl s THR 43 Cb -0.18 -2.92 0.49 0.00 1.34 0.00 0.00 72.50 71.23 1pfl s THR 43 CO 0.58 0.00 1.48 -0.81 -0.54 0.00 0.00 174.62 175.33 1pfl n PRO 44 N -0.54 0.71 -0.04 3.99 -0.04 -1.26 -1.72 135.00 136.10 1pfl n PRO 44 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 1pfl n PRO 44 Cb 0.60 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 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 3.18 0.00 -0.43 0.55 0.00 -1.96 0.11 119.26 120.71 1pfl h ALA 45 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1pfl h ALA 45 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1pfl h ALA 45 CO 0.00 0.25 0.29 1.05 0.00 0.00 0.00 179.25 180.84 1pfl h GLU 46 N -0.61 0.41 0.00 0.00 9.09 -1.76 0.05 114.58 121.76 1pfl h GLU 46 Ca 0.00 -0.02 -0.05 0.00 0.05 0.00 0.00 59.36 59.34 1pfl h GLU 46 Cb 0.25 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1pfl h GLU 46 CO 0.00 0.27 -0.70 0.28 0.05 0.00 0.00 179.01 178.91 1pfl h VAL 47 N 0.43 0.23 0.00 -1.06 2.07 -1.49 -2.76 116.25 113.66 1pfl h VAL 47 Ca 0.18 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1pfl h VAL 47 Cb 0.18 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1pfl h VAL 47 CO -0.04 0.13 -0.17 1.23 0.02 0.00 0.00 177.57 178.73 1pfl h GLY 48 N 3.87 0.00 0.21 2.17 0.00 0.13 -0.60 103.07 108.85 1pfl h GLY 48 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.93 1pfl h GLY 48 CO 0.02 0.00 -2.29 1.55 0.00 0.00 0.00 176.54 175.82 1pfl n VAL 49 N -3.92 1.53 0.30 4.60 3.14 -1.07 -0.12 118.33 122.79 1pfl n VAL 49 Ca -0.02 -0.69 0.17 0.00 -2.96 0.00 0.00 64.34 60.84 1pfl n VAL 49 Cb 0.26 -1.18 0.78 0.00 -1.06 0.00 0.00 33.84 32.65 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 -1.35 -3.31 115.31 120.59 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 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1pfl h LEU 50 CO -0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.85 1pfl n VAL 51 N -2.74 0.00 0.00 1.22 0.24 -0.24 -5.04 118.33 111.76 1pfl n VAL 51 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1pfl n VAL 51 Cb 0.17 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 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 -3.26 0.05 7.63 0.00 0.83 -4.99 105.19 105.45 1pfl n GLY 52 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 1pfl n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfl n LYS 53 N -0.16 0.33 -0.45 1.61 4.76 -1.26 -4.91 118.16 118.07 1pfl n LYS 53 Ca 0.00 0.39 -0.08 0.00 -2.87 0.00 0.00 58.31 55.76 1pfl n LYS 53 Cb 0.00 -1.37 -0.07 0.00 -1.84 0.00 0.00 35.03 31.75 1pfl n LYS 53 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pfl n ASP 54 N -3.93 -0.35 -0.44 4.39 -0.08 -1.26 -4.68 116.55 110.19 1pfl n ASP 54 Ca -0.06 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1pfl n ASP 54 Cb 0.22 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1pfl n ASP 54 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pfl n ARG 55 N 1.81 0.60 0.00 -0.67 1.74 -1.26 -3.81 116.66 115.07 1pfl n ARG 55 Ca 0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1pfl n ARG 55 Cb 0.04 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pfl n SER 56 N 0.12 0.00 0.00 0.55 2.88 -1.26 -5.05 113.62 110.86 1pfl n SER 56 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pfl n SER 56 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 0.17 -3.46 3.41 -1.25 -3.98 113.62 108.51 1pfl n SER 57 Ca 0.00 0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.77 1pfl n SER 57 Cb 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.14 0.00 0.10 7.33 -1.74 -1.26 -2.04 117.46 119.71 1pfl n PHE 58 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 57.45 56.90 1pfl n PHE 58 Cb 0.00 -0.06 0.05 0.00 1.52 0.00 0.00 39.48 41.00 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1pfl n TYR 59 N -2.44 0.00 0.00 2.97 4.01 -1.26 -1.45 117.16 119.00 1pfl n TYR 59 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1pfl n TYR 59 Cb 0.99 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 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 -1.16 0.00 0.11 -0.72 0.24 -0.87 -4.56 118.33 111.38 1pfl n VAL 60 Ca 0.01 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.40 1pfl n VAL 60 Cb 0.01 -0.91 0.02 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 0.00 -1.41 -1.34 -1.07 -1.68 -3.49 115.58 106.59 1pfl h ASN 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1pfl h ASN 61 Cb 0.98 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 1pfl h ASN 61 CO 0.00 0.15 0.00 0.61 0.07 0.00 0.00 177.43 178.26 1pfl n GLY 62 N 1.21 0.10 0.00 9.14 0.00 -0.53 -4.86 105.19 110.25 1pfl n GLY 62 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.24 0.00 -3.63 0.99 4.77 0.34 -4.57 117.00 114.65 1pfl n LEU 63 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 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 -0.15 0.45 0.42 -1.33 0.00 0.00 177.39 176.78 1pfl s THR 64 N 0.00 0.00 -0.25 -5.08 -4.23 -1.26 -2.43 115.64 102.40 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 0.15 -1.48 -0.54 0.00 0.00 174.62 172.75 1pfl s LEU 65 N 0.70 0.33 -0.31 4.79 0.05 -0.81 -4.40 118.68 119.03 1pfl s LEU 65 Ca -0.02 -0.93 0.00 0.00 0.05 0.00 0.00 54.13 53.22 1pfl s LEU 65 Cb -0.05 -0.14 0.00 0.00 -2.05 0.00 0.00 46.19 43.95 1pfl s LEU 65 CO -0.05 -0.40 0.00 0.61 -0.55 0.00 0.00 176.35 175.96 1pfl n GLY 66 N 5.27 0.25 1.87 -3.48 0.00 -1.25 -2.70 105.19 105.14 1pfl n GLY 66 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.59 3.27 -0.02 0.00 -1.26 -4.89 105.19 101.77 1pfl n GLY 67 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.11 2.59 -0.15 1.61 -0.44 -1.10 -5.06 119.66 117.01 1pfl s GLN 68 Ca 0.00 -1.34 -0.29 0.00 -2.50 0.00 0.00 55.36 51.23 1pfl s GLN 68 Cb 0.00 -3.64 -0.05 0.00 -1.64 0.00 0.00 33.01 27.67 1pfl s GLN 68 CO 0.00 -0.83 1.94 0.21 0.50 0.00 0.00 175.29 177.11 1pfl s LYS 69 N 1.41 3.65 -0.04 1.67 2.20 -1.26 -1.92 119.74 125.46 1pfl s LYS 69 Ca 0.01 2.07 0.06 0.00 -0.36 0.00 0.00 55.97 57.75 1pfl s LYS 69 Cb -0.21 -4.20 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 1pfl s LYS 69 CO 0.02 -1.50 -0.21 0.00 -0.36 0.00 0.00 175.35 173.31 1pfl s SER 71 N -0.57 6.23 0.23 0.00 1.04 -0.69 0.13 113.70 120.06 1pfl s SER 71 Ca 0.08 0.08 -0.31 0.00 0.48 0.00 0.00 55.95 56.28 1pfl s SER 71 Cb -0.11 -2.21 -0.14 0.00 0.10 0.00 0.00 66.02 63.66 1pfl s SER 71 CO 0.00 -0.26 1.25 0.52 0.98 0.00 0.00 173.24 175.74 1pfl n VAL 72 N 5.19 1.16 -3.39 5.02 0.31 -1.26 -1.49 118.33 123.86 1pfl n VAL 72 Ca -0.08 -0.29 -0.26 0.00 -0.01 0.00 0.00 64.34 63.70 1pfl n VAL 72 Cb 0.50 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 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 1.40 -0.23 -0.60 2.52 5.41 0.45 -4.85 119.36 123.46 1pfl n ILE 73 Ca 0.12 -4.03 0.00 0.00 1.00 0.00 0.00 62.75 59.84 1pfl n ILE 73 Cb 0.29 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 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 2.00 0.00 -2.92 0.38 0.63 -1.26 -3.40 116.66 112.08 1pfl n ARG 74 Ca 0.26 0.20 -0.44 0.00 -0.92 0.00 0.00 57.85 56.95 1pfl n ARG 74 Cb 0.47 -0.40 -0.03 0.00 0.45 0.00 0.00 32.46 32.95 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 6.33 0.00 6.15 2.15 -1.26 -2.78 116.67 127.26 1pfl s ASP 75 Ca 0.00 -1.43 0.18 0.00 0.43 0.00 0.00 52.55 51.73 1pfl s ASP 75 Cb 0.00 -2.39 0.48 0.00 -0.30 0.00 0.00 42.92 40.71 1pfl s ASP 75 CO 0.00 -1.26 1.40 -0.24 -0.17 0.00 0.00 175.17 174.90 1pfl n SER 76 N 7.08 3.47 -0.33 -0.34 2.88 -0.30 -4.63 113.62 121.45 1pfl n SER 76 Ca 0.05 -1.98 0.35 0.00 -1.33 0.00 0.00 58.87 55.95 1pfl n SER 76 Cb 0.46 -0.36 0.61 0.00 -0.75 0.00 0.00 64.21 64.17 1pfl n SER 76 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1pfl h LEU 77 N 3.39 0.00 -8.85 2.46 5.85 -1.61 0.43 115.31 116.97 1pfl h LEU 77 Ca 0.00 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.07 1pfl h LEU 77 Cb 0.88 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.74 1pfl h LEU 77 CO 0.00 0.00 -0.39 -0.76 -0.34 0.00 0.00 178.44 176.95 1pfl s LEU 78 N -7.12 4.20 -0.35 2.25 1.43 -1.26 -4.15 118.68 113.68 1pfl s LEU 78 Ca -0.04 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1pfl s LEU 78 Cb 0.19 -2.25 -0.10 0.00 0.03 0.00 0.00 46.19 44.05 1pfl s LEU 78 CO 0.63 -0.18 1.34 0.00 0.23 0.00 0.00 176.35 178.37 1pfl n GLN 79 N 5.21 0.03 -1.00 1.70 10.64 -1.26 -4.21 117.38 128.49 1pfl n GLN 79 Ca -0.11 -0.62 -0.04 0.00 -1.83 0.00 0.00 57.00 54.40 1pfl n GLN 79 Cb 0.51 -2.05 0.31 0.00 -0.86 0.00 0.00 30.24 28.15 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 9.68 4.85 0.00 2.61 -0.08 -1.26 -4.74 116.55 127.62 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 0.46 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.18 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 1.68 2.16 0.27 0.00 -1.26 -4.97 105.19 102.95 1pfl n GLY 81 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.32 0.00 -0.51 1.61 4.71 -1.26 -5.02 120.64 118.85 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 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 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 -3.43 0.00 -3.47 -0.32 -1.74 0.15 -4.87 117.46 103.79 1pfl n PHE 83 Ca 0.00 0.00 -0.37 0.00 -0.56 0.00 0.00 57.45 56.52 1pfl n PHE 83 Cb 0.00 -1.47 -0.06 0.00 1.52 0.00 0.00 39.48 39.47 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 -1.81 6.58 -0.02 5.98 1.04 -1.19 -1.93 113.70 122.35 1pfl s SER 84 Ca 0.00 0.68 0.02 0.00 0.48 0.00 0.00 55.95 57.13 1pfl s SER 84 Cb 0.00 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1pfl s SER 84 CO 0.00 0.11 -0.07 -0.32 0.98 0.00 0.00 173.24 173.95 1pfl s MET 85 N 0.22 0.71 -0.98 4.02 0.00 -0.62 -1.15 119.30 121.50 1pfl s MET 85 Ca 0.21 -0.23 -0.10 0.00 0.00 0.00 0.00 55.69 55.57 1pfl s MET 85 Cb -0.14 -0.69 0.25 0.00 0.00 0.00 0.00 34.83 34.25 1pfl s MET 85 CO 0.07 0.09 0.94 -0.51 0.00 0.00 0.00 175.02 175.61 1pfl s ASP 86 N 0.15 6.94 -0.44 1.11 1.11 -1.12 -1.01 116.67 123.41 1pfl s ASP 86 Ca -0.02 -3.26 -0.17 0.00 0.18 0.00 0.00 52.55 49.28 1pfl s ASP 86 Cb -0.07 -2.17 0.03 0.00 1.07 0.00 0.00 42.92 41.79 1pfl s ASP 86 CO -0.00 -0.38 0.47 -1.48 1.18 0.00 0.00 175.17 174.96 1pfl s LEU 87 N -0.72 4.97 -0.13 1.23 -0.00 -0.52 0.17 118.68 123.68 1pfl s LEU 87 Ca 0.25 -0.79 -0.01 0.00 -0.00 0.00 0.00 54.13 53.59 1pfl s LEU 87 Cb -0.10 -2.38 -0.02 0.00 -0.00 0.00 0.00 46.19 43.69 1pfl s LEU 87 CO -0.09 -0.65 -0.10 0.00 -0.00 0.00 0.00 176.35 175.51 1pfl s ARG 88 N 2.18 3.39 -0.82 1.48 1.70 -0.56 -2.10 118.95 124.21 1pfl s ARG 88 Ca 0.12 -0.64 -0.23 0.00 -0.47 0.00 0.00 55.73 54.51 1pfl s ARG 88 Cb -0.18 -2.69 -0.17 0.00 -0.57 0.00 0.00 34.95 31.34 1pfl s ARG 88 CO 0.13 0.27 2.38 0.25 -1.08 0.00 0.00 175.30 177.24 1pfl n THR 89 N 3.39 -0.00 -2.40 4.99 -2.24 0.28 -1.70 114.28 116.60 1pfl n THR 89 Ca -0.18 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.78 1pfl n THR 89 Cb 0.53 -1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 67.03 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 8.64 3.89 0.60 -0.78 1.02 -1.26 -1.55 119.74 130.30 1pfl s LYS 90 Ca 0.99 1.02 0.06 0.00 0.02 0.00 0.00 55.97 58.06 1pfl s LYS 90 Cb -0.24 -2.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.03 1pfl s LYS 90 CO 0.16 -0.32 0.82 0.45 -0.92 0.00 0.00 175.35 175.54 1pfl s SER 91 N -2.90 4.96 -0.30 2.83 0.15 -1.26 -4.89 113.70 112.29 1pfl s SER 91 Ca 0.60 -0.63 0.01 0.00 0.70 0.00 0.00 55.95 56.64 1pfl s SER 91 Cb -0.11 0.05 0.15 0.00 -1.71 0.00 0.00 66.02 64.40 1pfl s SER 91 CO 0.30 -1.41 0.36 0.42 1.20 0.00 0.00 173.24 174.11 1pfl s THR 92 N -2.77 -0.52 0.00 6.45 -4.23 -1.26 -4.90 115.64 108.41 1pfl s THR 92 Ca 0.62 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1pfl s THR 92 Cb -0.06 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1pfl s THR 92 CO 0.40 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1pfl n GLY 93 N 5.21 1.40 0.00 3.99 0.00 -1.26 -4.33 105.19 110.21 1pfl n GLY 93 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.13 2.11 3.24 -0.02 0.00 -1.26 -5.10 105.19 103.03 1pfl n GLY 94 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1pfl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfl n ALA 95 N -1.04 -4.34 -2.46 4.61 0.00 -1.26 -4.95 120.51 111.07 1pfl n ALA 95 Ca 0.00 -1.28 -0.38 0.00 0.00 0.00 0.00 53.44 51.78 1pfl n ALA 95 Cb 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 1pfl n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pfl s PRO 96 N -3.25 4.16 0.38 0.00 0.04 -1.26 -4.65 135.00 130.42 1pfl s PRO 96 Ca 0.53 0.59 0.08 0.00 0.04 0.00 0.00 61.00 62.24 1pfl s PRO 96 Cb -0.09 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1pfl s PRO 96 CO 0.66 0.53 0.43 0.95 0.04 0.00 0.00 177.00 179.61 1pfl s THR 97 N -0.64 3.20 -0.13 1.26 -4.23 -1.26 -4.43 115.64 109.41 1pfl s THR 97 Ca 0.27 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 1pfl s THR 97 Cb -0.18 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.58 1pfl s THR 97 CO 0.15 -0.07 0.36 -0.36 -0.54 0.00 0.00 174.62 174.16 1pfl s PHE 98 N -2.35 -0.39 -0.02 3.99 0.08 -0.59 -4.59 117.98 114.10 1pfl s PHE 98 Ca 0.48 0.96 0.04 0.00 0.12 0.00 0.00 56.93 58.53 1pfl s PHE 98 Cb -0.07 0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.49 1pfl s PHE 98 CO 0.30 -0.19 -0.13 -0.80 -0.10 0.00 0.00 175.22 174.30 1pfl s ASN 99 N 0.21 4.15 0.03 1.36 0.01 -0.60 0.98 114.94 121.09 1pfl s ASN 99 Ca -0.00 -0.22 0.05 0.00 -0.71 0.00 0.00 52.86 51.98 1pfl s ASN 99 Cb -0.03 -0.87 -0.02 0.00 0.41 0.00 0.00 41.25 40.74 1pfl s ASN 99 CO 0.00 0.32 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.08 1pfl s VAL 100 N -0.83 1.12 -0.07 1.60 1.01 -0.89 -0.45 120.40 121.89 1pfl s VAL 100 Ca 0.13 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1pfl s VAL 100 Cb -0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1pfl s VAL 100 CO 0.03 0.06 -0.20 -0.89 0.00 0.00 0.00 175.10 174.10 1pfl s THR 101 N -0.76 2.50 -0.21 3.92 2.01 -0.34 -1.44 115.64 121.33 1pfl s THR 101 Ca 0.02 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1pfl s THR 101 Cb -0.07 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.52 1pfl s THR 101 CO 0.01 0.57 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 1pfl s VAL 102 N -0.23 1.97 -0.21 3.82 1.01 -0.18 -0.64 120.40 125.94 1pfl s VAL 102 Ca -0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.74 1pfl s VAL 102 Cb -0.13 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1pfl s VAL 102 CO 0.03 0.26 0.03 0.42 0.00 0.00 0.00 175.10 175.84 1pfl s THR 103 N 1.26 4.19 -0.16 3.92 -4.23 -0.66 -1.59 115.64 118.37 1pfl s THR 103 Ca -0.01 -0.23 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 1pfl s THR 103 Cb -0.16 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 1pfl s THR 103 CO -0.09 0.41 0.21 -0.75 -0.54 0.00 0.00 174.62 173.85 1pfl s LYS 104 N 1.09 4.03 0.00 3.99 2.47 -0.81 -1.58 119.74 128.93 1pfl s LYS 104 Ca 0.03 -0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.39 1pfl s LYS 104 Cb -0.14 -3.36 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 1pfl s LYS 104 CO 0.02 0.41 0.00 0.25 0.16 0.00 0.00 175.35 176.19 1pfl n THR 105 N 3.08 0.00 1.00 3.43 -2.24 -1.07 -4.75 114.28 113.74 1pfl n THR 105 Ca -0.15 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1pfl n THR 105 Cb 0.53 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.62 -0.31 3.42 2.03 -1.26 -4.59 116.55 117.46 1pfl n ASP 106 Ca 0.00 -1.30 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1pfl n ASP 106 Cb 0.00 0.66 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 -0.59 0.00 -3.96 -0.67 5.02 -1.26 -5.03 118.16 111.67 1pfl n LYS 107 Ca 0.07 -0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.16 1pfl n LYS 107 Cb 0.41 -0.08 -0.08 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 0.18 -0.57 -0.18 -4.23 -1.26 -4.39 115.64 105.19 1pfl s THR 108 Ca 0.00 -1.47 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1pfl s THR 108 Cb 0.00 -1.43 0.15 0.00 1.34 0.00 0.00 72.50 72.56 1pfl s THR 108 CO 0.00 -0.80 0.35 -0.22 -0.54 0.00 0.00 174.62 173.41 1pfl s LEU 109 N -2.89 4.04 0.22 4.79 1.98 -0.64 -2.59 118.68 123.59 1pfl s LEU 109 Ca 0.06 -3.28 -0.30 0.00 -2.89 0.00 0.00 54.13 47.73 1pfl s LEU 109 Cb 0.06 -1.45 -0.08 0.00 0.66 0.00 0.00 46.19 45.37 1pfl s LEU 109 CO -0.10 -0.18 1.06 -0.69 -1.89 0.00 0.00 176.35 174.55 1pfl s VAL 110 N -0.61 3.82 -0.02 1.68 1.01 -0.61 -1.59 120.40 124.07 1pfl s VAL 110 Ca 0.21 1.70 0.08 0.00 0.00 0.00 0.00 61.98 63.97 1pfl s VAL 110 Cb -0.15 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1pfl s VAL 110 CO -0.08 0.35 -0.26 -0.76 0.00 0.00 0.00 175.10 174.36 1pfl s LEU 111 N -0.88 2.05 -0.33 3.92 1.43 0.92 -1.65 118.68 124.14 1pfl s LEU 111 Ca 0.46 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1pfl s LEU 111 Cb -0.29 -1.32 0.10 0.00 0.03 0.00 0.00 46.19 44.71 1pfl s LEU 111 CO 0.36 0.31 0.07 -0.22 0.23 0.00 0.00 176.35 177.10 1pfl s LEU 112 N -0.57 3.83 0.18 1.79 1.98 0.19 -0.71 118.68 125.37 1pfl s LEU 112 Ca 0.09 -1.98 -0.14 0.00 -2.89 0.00 0.00 54.13 49.21 1pfl s LEU 112 Cb -0.10 -1.35 -0.07 0.00 0.66 0.00 0.00 46.19 45.33 1pfl s LEU 112 CO -0.01 -0.39 0.58 -0.32 -1.89 0.00 0.00 176.35 174.32 1pfl s MET 113 N 1.14 3.98 -0.01 1.98 -2.45 0.54 -1.20 119.30 123.29 1pfl s MET 113 Ca 0.11 0.50 -0.05 0.00 -1.25 0.00 0.00 55.69 55.01 1pfl s MET 113 Cb -0.18 -2.84 -0.00 0.00 1.25 0.00 0.00 34.83 33.05 1pfl s MET 113 CO -0.14 0.42 0.09 0.20 1.05 0.00 0.00 175.02 176.64 1pfl s GLY 114 N -1.86 0.05 0.27 2.11 0.00 0.40 -1.08 107.32 107.21 1pfl s GLY 114 Ca 0.41 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 45.10 1pfl s GLY 114 CO 0.20 -0.19 -0.07 0.54 0.00 0.00 0.00 173.10 173.57 1pfl s LYS 115 N -0.95 1.51 0.00 2.90 1.02 -1.21 -1.56 119.74 121.45 1pfl s LYS 115 Ca -0.10 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.14 1pfl s LYS 115 Cb -0.06 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 1pfl s LYS 115 CO 0.01 0.06 0.00 -1.91 -0.92 0.00 0.00 175.35 172.58 1pfl n GLU 116 N -0.54 0.00 -1.07 1.68 2.13 -1.26 -3.19 120.64 118.39 1pfl n GLU 116 Ca -0.06 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.74 1pfl n GLU 116 Cb 0.63 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.33 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 0.54 3.32 8.31 0.00 -1.26 -4.92 105.19 111.18 1pfl n GLY 117 Ca 0.00 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.90 4.93 0.06 1.61 0.11 -1.19 -4.83 120.40 119.20 1pfl s VAL 118 Ca 0.00 -1.38 -0.01 0.00 -2.93 0.00 0.00 61.98 57.66 1pfl s VAL 118 Cb 0.00 -4.08 -0.26 0.00 -1.53 0.00 0.00 36.38 30.51 1pfl s VAL 118 CO 0.00 -0.71 1.09 -0.74 -3.33 0.00 0.00 175.10 171.41 1pfl h HIS 119 N 8.71 0.35 0.00 1.54 2.76 -1.91 -3.44 115.15 123.15 1pfl h HIS 119 Ca -0.27 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.65 1pfl h HIS 119 Cb 1.10 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.04 1pfl h HIS 119 CO 0.67 1.22 0.00 0.41 -1.30 0.00 0.00 177.93 178.93 1pfl n GLY 120 N 1.52 2.39 0.10 5.26 0.00 -1.26 -4.86 105.19 108.33 1pfl n GLY 120 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.15 1.80 -0.02 0.00 -1.97 -1.26 103.07 101.77 1pfl h GLY 121 Ca 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 46.71 1pfl h GLY 121 CO 0.00 0.34 -1.05 1.41 0.00 0.00 0.00 176.54 177.24 1pfl h LEU 122 N 0.04 0.23 -0.57 3.11 4.07 -1.99 -1.91 115.31 118.29 1pfl h LEU 122 Ca -0.22 -0.23 -0.15 0.00 0.08 0.00 0.00 57.88 57.36 1pfl h LEU 122 Cb 1.97 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.63 1pfl h LEU 122 CO 0.13 1.13 -0.47 0.40 -1.08 0.00 0.00 178.44 178.55 1pfl h ILE 123 N 0.06 1.31 0.00 1.22 2.04 -1.95 0.36 117.51 120.54 1pfl h ILE 123 Ca -0.07 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.09 1pfl h ILE 123 Cb 1.77 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 39.48 1pfl h ILE 123 CO 0.16 0.53 -0.12 -1.13 0.00 0.00 0.00 178.15 177.58 1pfl h ASN 124 N 0.48 0.00 0.45 1.72 -1.24 -1.06 0.61 115.58 116.54 1pfl h ASN 124 Ca 0.03 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.73 1pfl h ASN 124 Cb 1.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 1pfl h ASN 124 CO 0.09 0.12 -1.55 0.07 -1.29 0.00 0.00 177.43 174.88 1pfl h LYS 125 N 0.00 0.23 0.00 6.67 5.09 -0.46 -2.66 116.57 125.44 1pfl h LYS 125 Ca -0.00 -0.39 0.00 0.00 0.09 0.00 0.00 60.65 60.35 1pfl h LYS 125 Cb 0.39 0.14 0.00 0.00 0.10 0.00 0.00 32.23 32.86 1pfl h LYS 125 CO 0.02 1.07 -0.07 1.63 -2.09 0.00 0.00 179.45 180.01 1pfl n LYS 126 N -3.42 0.12 0.02 0.07 4.01 0.01 -2.34 118.16 116.63 1pfl n LYS 126 Ca -0.17 0.09 -0.16 0.00 -0.51 0.00 0.00 58.31 57.57 1pfl n LYS 126 Cb 1.04 -1.63 -0.14 0.00 -0.51 0.00 0.00 35.03 33.79 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pfl h TYR 128 N 0.05 0.37 0.09 0.00 5.03 -1.36 -1.19 116.97 119.97 1pfl h TYR 128 Ca -0.31 -0.05 -0.27 0.00 2.58 0.00 0.00 58.73 60.68 1pfl h TYR 128 Cb 2.02 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 40.18 1pfl h TYR 128 CO 0.05 0.47 -1.31 0.93 -1.32 0.00 0.00 178.16 176.97 1pfl h GLU 129 N 0.34 0.20 -0.51 1.82 4.39 -1.50 0.14 114.58 119.44 1pfl h GLU 129 Ca 0.07 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 1pfl h GLU 129 Cb 0.41 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1pfl h GLU 129 CO 0.02 1.10 0.30 1.98 -1.16 0.00 0.00 179.01 181.26 1pfl h MET 130 N 0.05 0.70 0.00 2.33 4.05 -0.94 -0.82 114.93 120.30 1pfl h MET 130 Ca -0.15 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 1pfl h MET 130 Cb 1.95 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.60 1pfl h MET 130 CO 0.17 0.52 -0.02 0.00 0.23 0.00 0.00 176.91 177.81 1pfl h ALA 131 N 1.14 0.99 -0.33 0.39 0.00 -1.29 -3.02 119.26 117.14 1pfl h ALA 131 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1pfl h ALA 131 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1pfl h ALA 131 CO -0.03 0.00 0.23 0.77 0.00 0.00 0.00 179.25 180.21 1pfl h SER 132 N 0.00 0.20 0.24 0.00 0.02 0.76 0.60 113.55 115.37 1pfl h SER 132 Ca 0.00 -0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1pfl h SER 132 Cb 0.97 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.50 1pfl h SER 132 CO 0.00 0.13 -1.47 -0.74 -1.14 0.00 0.00 176.83 173.61 1pfl h HIS 133 N 0.23 0.92 0.00 3.45 2.76 -1.36 -1.99 115.15 119.16 1pfl h HIS 133 Ca 0.15 -0.67 0.00 0.00 -2.20 0.00 0.00 60.37 57.64 1pfl h HIS 133 Cb 0.29 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1pfl h HIS 133 CO -0.00 1.56 0.00 1.28 -1.30 0.00 0.00 177.93 179.47 1pfl n LEU 134 N -3.74 0.00 -0.01 0.26 4.32 -0.22 0.10 117.00 117.72 1pfl n LEU 134 Ca -0.18 0.42 -0.21 0.00 -0.02 0.00 0.00 56.01 56.02 1pfl n LEU 134 Cb 1.08 -0.42 -0.14 0.00 -1.62 0.00 0.00 43.42 42.32 1pfl n LEU 134 CO 0.59 -0.25 -0.85 0.54 -1.22 0.00 0.00 177.39 176.19 1pfl n ARG 135 N -1.42 0.74 0.00 3.23 1.74 0.19 -3.54 116.66 117.60 1pfl n ARG 135 Ca 0.04 0.27 0.14 0.00 -0.77 0.00 0.00 57.85 57.52 1pfl n ARG 135 Cb 0.12 -1.69 0.71 0.00 -1.02 0.00 0.00 32.46 30.58 1pfl n ARG 135 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pfl n ARG 136 N -3.51 0.43 0.19 5.56 1.74 -0.51 -2.67 116.66 117.89 1pfl n ARG 136 Ca -0.33 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 56.88 1pfl n ARG 136 Cb 1.03 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 31.09 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 -1.93 0.55 4.64 0.64 -3.47 113.55 113.98 1pfl h SER 137 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1pfl h SER 137 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 1pfl h SER 137 CO 0.00 0.03 -0.40 1.67 -0.87 0.00 0.00 176.83 177.26 1pfl n GLN 138 N -3.00 -1.29 0.00 4.77 -0.06 -1.09 -5.06 117.38 111.65 1pfl n GLN 138 Ca 0.03 0.89 0.15 0.00 -2.00 0.00 0.00 57.00 56.07 1pfl n GLN 138 Cb 0.55 -5.26 0.70 0.00 -4.06 0.00 0.00 30.24 22.16 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52