#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 -0.18 0.31 0.00 0.00 -1.26 -4.92 105.19 99.14 1pfl n GLY 2 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 0.74 -0.03 1.61 -0.00 -2.00 -0.11 115.95 116.16 1pfl h TRP 3 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1pfl h TRP 3 Cb 0.00 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 28.96 1pfl h TRP 3 CO 0.00 0.12 0.03 -0.91 -0.00 0.00 0.00 178.44 177.67 1pfl h ASN 4 N 0.56 0.00 0.12 -3.49 2.35 -1.91 0.25 115.58 113.46 1pfl h ASN 4 Ca 0.49 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.06 1pfl h ASN 4 Cb 0.77 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1pfl h ASN 4 CO -0.41 0.00 -0.68 0.00 -1.65 0.00 0.00 177.43 174.69 1pfl h ALA 5 N 1.97 0.59 0.00 -0.83 0.00 -1.40 0.35 119.26 119.94 1pfl h ALA 5 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1pfl h ALA 5 Cb 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pfl h ALA 5 CO -0.00 0.73 0.00 0.66 0.00 0.00 0.00 179.25 180.64 1pfl n TYR 6 N -3.89 0.25 0.02 0.00 4.01 -0.04 -0.66 117.16 116.85 1pfl n TYR 6 Ca -0.04 0.08 -0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1pfl n TYR 6 Cb 0.68 -0.64 -0.09 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.71 1.17 0.30 -0.72 2.08 -0.51 -3.37 119.36 116.60 1pfl n ILE 7 Ca 0.05 -0.70 0.17 0.00 0.56 0.00 0.00 62.75 62.84 1pfl n ILE 7 Cb 0.27 -0.71 0.78 0.00 -0.75 0.00 0.00 39.64 39.22 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 -0.28 4.38 3.32 0.20 -2.63 116.42 121.42 1pfl h ASP 8 Ca -0.18 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.93 1pfl h ASP 8 Cb 1.61 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.08 1pfl h ASP 8 CO 0.04 0.00 -0.31 -1.13 -1.72 0.00 0.00 179.24 176.13 1pfl h ASN 9 N 0.00 -0.99 -0.78 6.45 -1.24 -1.37 0.40 115.58 118.04 1pfl h ASN 9 Ca 0.00 0.17 0.10 0.00 0.71 0.00 0.00 56.30 57.27 1pfl h ASN 9 Cb 0.35 0.45 -0.07 0.00 0.73 0.00 0.00 38.32 39.77 1pfl h ASN 9 CO 0.00 -0.33 0.42 -0.07 -1.29 0.00 0.00 177.43 176.17 1pfl h LEU 10 N -0.30 0.58 -0.57 0.34 -0.00 -1.67 0.20 115.31 113.88 1pfl h LEU 10 Ca 0.14 0.06 -0.15 0.00 -0.00 0.00 0.00 57.88 57.92 1pfl h LEU 10 Cb 0.53 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.12 1pfl h LEU 10 CO -0.45 0.32 -0.71 0.24 -0.00 0.00 0.00 178.44 177.85 1pfl h MET 11 N 0.70 0.06 0.00 1.13 2.86 -1.00 -3.13 114.93 115.55 1pfl h MET 11 Ca 0.39 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1pfl h MET 11 Cb 0.40 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1pfl h MET 11 CO -0.27 0.74 -0.26 0.00 1.06 0.00 0.00 176.91 178.18 1pfl n ALA 12 N -2.42 2.84 1.12 6.32 0.00 0.12 -4.45 120.51 124.03 1pfl n ALA 12 Ca -0.01 -0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.35 1pfl n ALA 12 Cb 0.69 -1.31 0.18 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.67 2.07 -1.06 0.00 5.68 0.50 -4.97 116.55 117.10 1pfl n ASP 13 Ca 0.06 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1pfl n ASP 13 Cb 0.36 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 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 1.35 -0.05 0.00 6.12 0.00 -1.26 -4.27 105.19 107.08 1pfl n GLY 14 Ca 0.13 0.00 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 -1.06 0.00 -0.89 2.61 -1.04 -1.26 -4.93 114.28 107.70 1pfl n THR 15 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1pfl n THR 15 Cb 0.05 -0.14 0.19 0.00 -1.82 0.00 0.00 70.33 68.62 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 -4.09 0.00 -3.57 0.00 0.00 -0.15 -3.26 117.38 106.31 1pfl n GLN 17 Ca 0.12 0.00 -0.16 0.00 -0.00 0.00 0.00 57.00 56.95 1pfl n GLN 17 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.64 1pfl n GLN 17 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1pfl n ASP 18 N -2.68 1.02 -3.65 1.69 2.03 -0.69 -4.94 116.55 109.34 1pfl n ASP 18 Ca 0.00 -2.43 -0.02 0.00 0.52 0.00 0.00 54.79 52.86 1pfl n ASP 18 Cb 0.00 0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 41.04 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 -2.74 -2.31 -0.18 -1.67 0.00 -1.26 -1.74 121.76 111.86 1pfl s ALA 19 Ca 0.14 2.18 -0.05 0.00 0.00 0.00 0.00 51.96 54.24 1pfl s ALA 19 Cb 0.01 -1.74 0.06 0.00 0.00 0.00 0.00 23.12 21.45 1pfl s ALA 19 CO 0.10 -0.34 0.09 0.00 0.00 0.00 0.00 175.76 175.60 1pfl s ALA 20 N 1.30 0.49 -0.39 0.00 0.00 -0.68 -1.82 121.76 120.65 1pfl s ALA 20 Ca -0.09 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 1pfl s ALA 20 Cb -0.03 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1pfl s ALA 20 CO -0.14 -1.18 0.62 0.42 0.00 0.00 0.00 175.76 175.47 1pfl s ILE 21 N 2.11 4.88 -0.21 0.00 1.01 -0.86 -0.19 121.20 127.95 1pfl s ILE 21 Ca 0.02 0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1pfl s ILE 21 Cb -0.16 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.23 1pfl s ILE 21 CO -0.10 -0.43 -0.13 -0.69 0.00 0.00 0.00 174.94 173.59 1pfl s VAL 22 N 2.70 1.89 -1.03 2.92 1.01 -0.58 0.37 120.40 127.68 1pfl s VAL 22 Ca 0.22 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1pfl s VAL 22 Cb -0.14 -1.89 -0.10 0.00 0.00 0.00 0.00 36.38 34.25 1pfl s VAL 22 CO 0.16 0.23 2.02 -0.83 0.00 0.00 0.00 175.10 176.69 1pfl s GLY 23 N 1.30 -0.13 -0.05 4.51 0.00 0.12 -1.62 107.32 111.45 1pfl s GLY 23 Ca -0.01 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1pfl s GLY 23 CO -0.09 3.72 1.31 1.58 0.00 0.00 0.00 173.10 179.62 1pfl n TYR 24 N 15.52 0.31 0.00 1.90 4.11 -1.26 -1.21 117.16 136.52 1pfl n TYR 24 Ca 0.43 -0.77 0.00 0.00 -0.00 0.00 0.00 57.90 57.56 1pfl n TYR 24 Cb 0.46 -0.39 0.00 0.00 -0.00 0.00 0.00 39.34 39.42 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 0.56 1.69 -0.32 -3.48 4.01 -1.26 -4.68 118.16 114.68 1pfl n LYS 25 Ca 0.06 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.77 1pfl n LYS 25 Cb 0.59 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.06 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 -1.82 -3.43 4.39 2.03 -2.00 -3.33 116.42 112.27 1pfl h ASP 26 Ca 0.00 0.29 -0.64 0.00 -0.73 0.00 0.00 57.03 55.95 1pfl h ASP 26 Cb 0.00 0.82 -0.22 0.00 -0.83 0.00 0.00 39.33 39.10 1pfl h ASP 26 CO 0.00 -0.29 -0.65 -0.94 -1.03 0.00 0.00 179.24 176.33 1pfl s SER 27 N -5.32 4.95 0.48 4.15 1.04 -1.26 -5.06 113.70 112.68 1pfl s SER 27 Ca -0.13 -0.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.95 1pfl s SER 27 Cb 0.13 -1.85 -0.09 0.00 0.10 0.00 0.00 66.02 64.31 1pfl s SER 27 CO 0.65 0.08 0.98 -2.16 0.98 0.00 0.00 173.24 173.76 1pfl s PRO 28 N 0.93 4.03 0.12 4.02 0.04 -1.25 -4.71 135.00 138.17 1pfl s PRO 28 Ca 0.02 1.07 -0.19 0.00 0.04 0.00 0.00 61.00 61.94 1pfl s PRO 28 Cb -0.14 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.30 1pfl s PRO 28 CO 0.02 -0.21 0.47 -1.54 0.04 0.00 0.00 177.00 175.79 1pfl s SER 29 N -2.59 -0.36 -0.63 6.66 1.04 -0.35 -4.79 113.70 112.68 1pfl s SER 29 Ca 0.61 -0.15 -0.22 0.00 0.48 0.00 0.00 55.95 56.68 1pfl s SER 29 Cb -0.10 0.51 0.08 0.00 0.10 0.00 0.00 66.02 66.60 1pfl s SER 29 CO 0.23 -0.86 0.88 -0.69 0.98 0.00 0.00 173.24 173.78 1pfl s VAL 30 N -3.54 4.48 -0.02 5.02 1.01 -1.26 0.16 120.40 126.24 1pfl s VAL 30 Ca 0.01 -0.50 0.31 0.00 0.00 0.00 0.00 61.98 61.81 1pfl s VAL 30 Cb 0.01 -4.61 0.35 0.00 0.00 0.00 0.00 36.38 32.13 1pfl s VAL 30 CO -0.10 -1.33 1.93 -0.50 0.00 0.00 0.00 175.10 175.10 1pfl h TRP 31 N 9.43 0.00 0.00 5.22 4.06 -0.39 -3.42 115.95 130.85 1pfl h TRP 31 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 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 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 175.80 1pfl n ALA 32 N -1.99 0.00 -2.95 1.49 0.00 0.12 -4.90 120.51 112.27 1pfl n ALA 32 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1pfl n ALA 32 Cb 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 2.84 -0.70 0.00 0.00 -1.26 -2.03 121.76 120.61 1pfl s ALA 33 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 1pfl s ALA 33 Cb 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 23.12 21.59 1pfl s ALA 33 CO 0.00 0.27 2.48 0.28 0.00 0.00 0.00 175.76 178.80 1pfl n VAL 34 N 3.37 0.01 -2.20 0.00 0.31 -0.76 -4.64 118.33 114.42 1pfl n VAL 34 Ca -0.18 -0.27 -0.36 0.00 -0.01 0.00 0.00 64.34 63.52 1pfl n VAL 34 Cb 0.53 -1.36 0.01 0.00 -0.91 0.00 0.00 33.84 32.10 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 8.04 3.37 0.00 5.55 0.04 -1.26 -3.57 135.00 147.17 1pfl s PRO 35 Ca 1.19 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.94 1pfl s PRO 35 Cb -0.90 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1pfl s PRO 35 CO 0.44 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1pfl n GLY 36 N 0.30 1.62 0.00 0.56 0.00 -1.26 -4.98 105.19 101.43 1pfl n GLY 36 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.91 0.00 0.00 1.61 4.01 -1.23 -5.09 118.16 115.55 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 -0.59 0.00 -0.21 -0.18 -1.04 -1.26 -4.99 114.28 106.01 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 0.14 0.00 -1.82 0.00 0.00 70.33 68.65 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 1.03 0.00 -1.42 -1.00 -1.85 -2.09 116.94 111.61 1pfl h PHE 39 Ca 0.00 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1pfl h PHE 39 Cb 0.00 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.25 1pfl h PHE 39 CO 0.00 0.80 0.01 -0.24 -1.61 0.00 0.00 178.31 177.27 1pfl h VAL 40 N 0.98 0.00 -0.38 -0.55 3.04 -1.82 0.25 116.25 117.78 1pfl h VAL 40 Ca 0.23 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.78 1pfl h VAL 40 Cb 0.22 0.86 -0.08 0.00 -2.01 0.00 0.00 31.29 30.28 1pfl h VAL 40 CO -0.02 0.00 0.17 0.59 -1.01 0.00 0.00 177.57 177.31 1pfl n ASN 41 N -2.87 3.29 -4.72 3.17 3.02 -0.78 -4.77 115.26 111.60 1pfl n ASN 41 Ca -0.03 -2.61 -0.42 0.00 -0.03 0.00 0.00 54.58 51.49 1pfl n ASN 41 Cb 0.07 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 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 -1.66 4.10 0.44 2.41 1.01 0.89 -4.53 121.20 123.86 1pfl s ILE 42 Ca 0.26 1.59 0.03 0.00 0.00 0.00 0.00 60.65 62.53 1pfl s ILE 42 Cb 0.21 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1pfl s ILE 42 CO 0.06 0.17 0.06 0.42 0.00 0.00 0.00 174.94 175.65 1pfl s THR 43 N 0.66 1.04 -2.00 2.92 -4.23 -1.26 -4.71 115.64 108.06 1pfl s THR 43 Ca 0.55 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.18 1pfl s THR 43 Cb -0.28 -2.40 0.33 0.00 1.34 0.00 0.00 72.50 71.48 1pfl s THR 43 CO 0.31 0.00 1.13 -0.81 -0.54 0.00 0.00 174.62 174.70 1pfl n PRO 44 N -1.02 0.49 -0.03 3.99 -0.04 -1.26 -1.55 135.00 135.58 1pfl n PRO 44 Ca -0.10 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 1pfl n PRO 44 Cb 0.66 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1pfl n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pfl h ALA 45 N 2.72 0.00 0.00 0.55 0.00 -1.97 -0.69 119.26 119.88 1pfl h ALA 45 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1pfl h ALA 45 Cb 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pfl h ALA 45 CO 0.00 0.16 -0.11 1.05 0.00 0.00 0.00 179.25 180.35 1pfl h GLU 46 N -0.41 0.00 0.00 0.00 -0.00 -1.81 0.11 114.58 112.47 1pfl h GLU 46 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.29 1pfl h GLU 46 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 1pfl h GLU 46 CO 0.00 0.11 -0.41 0.28 -0.00 0.00 0.00 179.01 178.98 1pfl h VAL 47 N 0.00 0.53 -0.28 -1.06 2.07 -1.44 -2.71 116.25 113.36 1pfl h VAL 47 Ca -0.00 -1.76 0.04 0.00 0.82 0.00 0.00 66.70 65.80 1pfl h VAL 47 Cb 0.20 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1pfl h VAL 47 CO 0.01 0.30 0.19 1.23 0.02 0.00 0.00 177.57 179.32 1pfl h GLY 48 N 3.69 0.23 0.34 2.17 0.00 0.83 -0.63 103.07 109.72 1pfl h GLY 48 Ca -0.01 -0.08 -0.37 0.00 0.00 0.00 0.00 47.33 46.87 1pfl h GLY 48 CO 0.04 0.07 -2.21 1.55 0.00 0.00 0.00 176.54 175.99 1pfl n VAL 49 N -4.49 1.64 0.29 4.60 3.14 -1.15 0.26 118.33 122.62 1pfl n VAL 49 Ca 0.03 -0.63 0.18 0.00 -2.96 0.00 0.00 64.34 60.95 1pfl n VAL 49 Cb 0.21 -1.52 0.98 0.00 -1.06 0.00 0.00 33.84 32.45 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 0.04 0.00 0.00 6.55 3.38 -1.24 -3.10 115.31 120.94 1pfl h LEU 50 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1pfl h LEU 50 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1pfl h LEU 50 CO 0.01 0.00 -0.10 1.33 0.09 0.00 0.00 178.44 179.77 1pfl n VAL 51 N -3.60 0.00 -1.32 1.22 0.24 -0.26 -5.06 118.33 109.55 1pfl n VAL 51 Ca -0.02 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 61.70 1pfl n VAL 51 Cb 0.14 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.57 -2.59 0.00 7.63 0.00 0.14 -4.84 105.19 106.10 1pfl n GLY 52 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.13 1pfl n GLY 52 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pfl n LYS 53 N 1.19 0.66 -1.66 1.61 -0.00 -1.26 -4.89 118.16 113.82 1pfl n LYS 53 Ca 0.11 0.01 -0.45 0.00 -0.00 0.00 0.00 58.31 57.97 1pfl n LYS 53 Cb 0.41 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.92 1pfl n LYS 53 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1pfl n ASP 54 N -1.15 2.52 -1.78 -5.58 -0.08 -1.26 -4.89 116.55 104.33 1pfl n ASP 54 Ca 0.18 1.15 0.08 0.00 -1.51 0.00 0.00 54.79 54.68 1pfl n ASP 54 Cb 0.17 -1.40 0.39 0.00 2.34 0.00 0.00 41.12 42.62 1pfl n ASP 54 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1pfl n ARG 55 N 1.86 4.45 0.00 -0.67 0.63 -1.26 -4.74 116.66 116.94 1pfl n ARG 55 Ca 0.12 -3.01 0.00 0.00 -0.92 0.00 0.00 57.85 54.03 1pfl n ARG 55 Cb 0.31 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.09 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1pfl n SER 56 N 0.80 0.00 0.00 6.15 2.88 -1.26 -5.07 113.62 117.13 1pfl n SER 56 Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1pfl n SER 56 Cb 1.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.54 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 -0.24 0.00 0.11 -3.46 3.41 -1.26 -3.71 113.62 108.47 1pfl n SER 57 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1pfl n SER 57 Cb 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.09 1pfl n SER 57 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1pfl n PHE 58 N 0.00 0.00 0.05 7.33 -1.74 -1.26 -1.73 117.46 120.11 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 -0.09 0.03 0.00 1.52 0.00 0.00 39.48 40.94 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 -2.55 0.00 0.00 2.97 4.01 -1.24 -1.48 117.16 118.87 1pfl n TYR 59 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1pfl n TYR 59 Cb 1.06 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 39.76 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 -1.33 0.00 0.07 -0.72 0.24 -0.71 -4.62 118.33 111.26 1pfl n VAL 60 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1pfl n VAL 60 Cb 0.01 -0.67 -0.14 0.00 -1.47 0.00 0.00 33.84 31.57 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 -3.75 -1.34 7.08 -1.65 -3.49 115.58 112.87 1pfl h ASN 61 Ca 0.00 -0.63 0.00 0.00 -3.08 0.00 0.00 56.30 52.59 1pfl h ASN 61 Cb 0.78 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 1pfl h ASN 61 CO 0.00 1.53 0.00 0.61 -2.08 0.00 0.00 177.43 177.49 1pfl n GLY 62 N 1.71 3.60 0.00 9.14 0.00 -0.55 -4.86 105.19 114.22 1pfl n GLY 62 Ca -0.18 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.66 -4.76 117.00 113.71 1pfl n LEU 63 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 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 0.00 0.36 0.42 -1.33 0.00 0.00 177.39 176.84 1pfl s THR 64 N 0.16 -0.14 -0.29 -5.08 -4.23 -1.26 -2.35 115.64 102.45 1pfl s THR 64 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 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 0.10 -1.48 -0.54 0.00 0.00 174.62 172.70 1pfl s LEU 65 N 1.81 1.59 -0.41 4.79 0.05 -0.83 -4.24 118.68 121.43 1pfl s LEU 65 Ca -0.09 -1.42 0.00 0.00 0.05 0.00 0.00 54.13 52.67 1pfl s LEU 65 Cb -0.06 -0.68 0.00 0.00 -2.05 0.00 0.00 46.19 43.41 1pfl s LEU 65 CO -0.20 -0.41 0.00 0.61 -0.55 0.00 0.00 176.35 175.81 1pfl n GLY 66 N 4.99 0.28 1.54 -3.48 0.00 -1.26 -2.66 105.19 104.60 1pfl n GLY 66 Ca -0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.27 0.71 3.33 -0.02 0.00 -1.26 -4.81 105.19 101.86 1pfl n GLY 67 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.32 2.78 -0.38 1.61 2.00 -1.09 -5.04 119.66 119.23 1pfl s GLN 68 Ca 0.00 -1.38 -0.28 0.00 -2.00 0.00 0.00 55.36 51.70 1pfl s GLN 68 Cb 0.00 -3.92 -0.02 0.00 0.80 0.00 0.00 33.01 29.87 1pfl s GLN 68 CO 0.00 -0.96 1.78 0.21 -0.50 0.00 0.00 175.29 175.82 1pfl s LYS 69 N 1.53 3.24 0.00 1.67 2.20 -1.26 -1.97 119.74 125.15 1pfl s LYS 69 Ca 0.03 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1pfl s LYS 69 Cb -0.23 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 31.87 1pfl s LYS 69 CO 0.04 -1.97 0.00 0.00 -0.36 0.00 0.00 175.35 173.06 1pfl s SER 71 N -0.95 1.52 -0.27 0.00 1.04 0.18 -1.65 113.70 113.57 1pfl s SER 71 Ca 0.00 -0.52 -0.42 0.00 0.48 0.00 0.00 55.95 55.49 1pfl s SER 71 Cb 0.00 0.50 -0.18 0.00 0.10 0.00 0.00 66.02 66.44 1pfl s SER 71 CO 0.00 -0.36 1.54 0.52 0.98 0.00 0.00 173.24 175.92 1pfl n VAL 72 N 5.32 0.11 -3.30 5.02 0.31 -1.26 -1.67 118.33 122.86 1pfl n VAL 72 Ca -0.03 -0.02 -0.25 0.00 -0.01 0.00 0.00 64.34 64.02 1pfl n VAL 72 Cb 0.48 -0.72 -0.08 0.00 -0.91 0.00 0.00 33.84 32.61 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 3.65 0.38 0.00 2.52 5.41 0.24 -4.80 119.36 126.76 1pfl n ILE 73 Ca 0.26 -4.42 0.00 0.00 1.00 0.00 0.00 62.75 59.59 1pfl n ILE 73 Cb 0.06 -2.00 0.00 0.00 -0.71 0.00 0.00 39.64 36.99 1pfl n ILE 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1pfl n ARG 74 N 1.30 0.00 -2.10 0.38 1.74 -1.26 -3.51 116.66 113.21 1pfl n ARG 74 Ca 0.24 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.98 1pfl n ARG 74 Cb 0.48 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.88 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1pfl s ASP 75 N -0.34 5.33 -0.08 0.55 2.15 -1.26 -3.60 116.67 119.42 1pfl s ASP 75 Ca 0.00 -0.18 0.12 0.00 0.43 0.00 0.00 52.55 52.92 1pfl s ASP 75 Cb 0.00 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.27 1pfl s ASP 75 CO 0.00 -2.45 1.11 -1.54 -0.17 0.00 0.00 175.17 172.12 1pfl n SER 76 N 12.84 2.28 -0.26 -0.34 3.41 -0.84 -4.88 113.62 125.83 1pfl n SER 76 Ca 0.27 -2.69 -0.07 0.00 -0.26 0.00 0.00 58.87 56.12 1pfl n SER 76 Cb 0.50 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1pfl n SER 76 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1pfl n LEU 77 N -1.06 -0.66 -2.41 1.04 7.94 -1.25 -0.80 117.00 119.80 1pfl n LEU 77 Ca 0.11 1.31 -0.31 0.00 -1.11 0.00 0.00 56.01 56.01 1pfl n LEU 77 Cb 0.51 -0.24 0.03 0.00 0.53 0.00 0.00 43.42 44.25 1pfl n LEU 77 CO 0.01 -1.00 0.75 0.18 -1.11 0.00 0.00 177.39 176.22 1pfl n LEU 78 N -4.50 6.02 -3.16 -1.96 4.32 -1.26 -3.82 117.00 112.65 1pfl n LEU 78 Ca 0.01 -4.81 -0.33 0.00 -0.02 0.00 0.00 56.01 50.86 1pfl n LEU 78 Cb 0.16 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.29 1pfl n LEU 78 CO -0.10 1.94 0.76 0.00 -1.22 0.00 0.00 177.39 178.76 1pfl n GLN 79 N -0.65 4.06 0.00 3.23 10.64 -0.82 -4.98 117.38 128.86 1pfl n GLN 79 Ca 0.49 -4.65 0.00 0.00 -1.83 0.00 0.00 57.00 51.01 1pfl n GLN 79 Cb 0.65 -2.33 0.00 0.00 -0.86 0.00 0.00 30.24 27.70 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 -0.22 0.00 0.00 2.61 2.03 -1.26 -3.05 116.55 116.65 1pfl n ASP 80 Ca 0.40 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.71 1pfl n ASP 80 Cb 0.35 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 1.13 1.89 0.27 0.00 -1.26 -4.87 105.19 102.36 1pfl n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.75 0.00 -0.40 1.61 -0.58 -1.17 -5.02 120.64 113.32 1pfl n GLU 82 Ca 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1pfl n GLU 82 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 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 -2.89 -0.24 -3.64 -0.32 -1.74 0.02 -4.87 117.46 103.79 1pfl n PHE 83 Ca 0.00 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.51 1pfl n PHE 83 Cb 0.00 -0.89 -0.06 0.00 1.52 0.00 0.00 39.48 40.05 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 -0.55 6.64 -0.09 5.98 1.04 -1.22 -1.76 113.70 123.74 1pfl s SER 84 Ca 0.00 0.76 -0.01 0.00 0.48 0.00 0.00 55.95 57.19 1pfl s SER 84 Cb 0.00 -2.18 0.03 0.00 0.10 0.00 0.00 66.02 63.96 1pfl s SER 84 CO 0.00 0.34 -0.04 -0.32 0.98 0.00 0.00 173.24 174.20 1pfl s MET 85 N -0.96 1.08 -1.27 4.02 1.75 -0.26 -1.99 119.30 121.68 1pfl s MET 85 Ca 0.20 -0.09 -0.13 0.00 -1.25 0.00 0.00 55.69 54.42 1pfl s MET 85 Cb -0.15 -1.27 0.14 0.00 2.84 0.00 0.00 34.83 36.39 1pfl s MET 85 CO 0.09 -0.26 1.70 -0.25 -0.65 0.00 0.00 175.02 175.65 1pfl n ASP 86 N 4.95 5.00 -4.52 1.11 8.00 -1.23 -1.16 116.55 128.70 1pfl n ASP 86 Ca -0.11 -2.99 -0.43 0.00 0.71 0.00 0.00 54.79 51.97 1pfl n ASP 86 Cb 0.50 -1.58 -0.07 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 1.56 4.50 0.10 0.64 -0.00 -0.32 0.83 118.68 126.00 1pfl s LEU 87 Ca 0.44 -0.30 0.05 0.00 -0.00 0.00 0.00 54.13 54.32 1pfl s LEU 87 Cb 0.04 -2.69 -0.04 0.00 -0.00 0.00 0.00 46.19 43.49 1pfl s LEU 87 CO 0.01 -0.73 0.00 0.00 -0.00 0.00 0.00 176.35 175.63 1pfl s ARG 88 N 2.72 2.53 -0.33 1.48 1.70 -0.67 -1.78 118.95 124.61 1pfl s ARG 88 Ca 0.22 -0.88 -0.29 0.00 -0.47 0.00 0.00 55.73 54.31 1pfl s ARG 88 Cb -0.14 -2.52 -0.01 0.00 -0.57 0.00 0.00 34.95 31.71 1pfl s ARG 88 CO 0.18 0.53 1.65 0.95 -1.08 0.00 0.00 175.30 177.53 1pfl s THR 89 N -1.38 3.64 -0.15 4.99 -4.23 0.62 0.51 115.64 119.63 1pfl s THR 89 Ca 0.26 0.67 -0.09 0.00 -1.18 0.00 0.00 61.69 61.35 1pfl s THR 89 Cb -0.11 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 1pfl s THR 89 CO 0.18 -0.49 0.15 -0.54 -0.54 0.00 0.00 174.62 173.39 1pfl s LYS 90 N 5.26 3.82 0.00 3.99 1.02 -1.26 -1.88 119.74 130.69 1pfl s LYS 90 Ca 0.73 -0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1pfl s LYS 90 Cb -0.20 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1pfl s LYS 90 CO 0.33 0.54 0.00 0.45 -0.92 0.00 0.00 175.35 175.75 1pfl n SER 91 N 2.73 1.66 -2.09 2.83 2.88 -1.26 -5.02 113.62 115.35 1pfl n SER 91 Ca -0.18 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1pfl n SER 91 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1pfl n SER 91 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1pfl n THR 92 N -0.11 0.00 0.00 2.46 -2.24 -1.26 -4.93 114.28 108.20 1pfl n THR 92 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pfl n THR 92 Cb 0.00 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 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 5.00 -3.03 0.73 3.38 0.00 -1.26 -2.99 105.19 107.02 1pfl n GLY 93 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.76 1.76 3.96 -0.02 0.00 -1.26 -4.87 105.19 104.01 1pfl n GLY 94 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.95 3.90 -0.21 4.61 0.00 -1.16 -5.08 121.76 122.87 1pfl s ALA 95 Ca 0.05 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.67 1pfl s ALA 95 Cb 0.04 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1pfl s ALA 95 CO 0.01 0.04 0.47 -1.25 0.00 0.00 0.00 175.76 175.03 1pfl s PRO 96 N -4.18 4.17 0.61 0.00 0.04 -1.26 -4.71 135.00 129.67 1pfl s PRO 96 Ca 0.40 0.32 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 1pfl s PRO 96 Cb -0.09 -3.56 0.06 0.00 0.04 0.00 0.00 34.50 30.95 1pfl s PRO 96 CO 0.32 -0.13 0.86 0.95 0.04 0.00 0.00 177.00 179.05 1pfl s THR 97 N 1.57 2.48 0.24 1.26 -4.23 -1.26 -4.69 115.64 111.01 1pfl s THR 97 Ca 0.22 -0.60 -0.13 0.00 -1.18 0.00 0.00 61.69 60.00 1pfl s THR 97 Cb -0.15 -2.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.81 1pfl s THR 97 CO 0.09 0.00 0.47 -0.36 -0.54 0.00 0.00 174.62 174.28 1pfl s PHE 98 N -2.92 0.32 0.05 3.99 0.08 -0.79 -4.59 117.98 114.12 1pfl s PHE 98 Ca 0.60 -0.68 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 1pfl s PHE 98 Cb -0.09 0.20 -0.03 0.00 -0.57 0.00 0.00 43.02 42.52 1pfl s PHE 98 CO 0.41 -0.97 0.00 -0.80 -0.10 0.00 0.00 175.22 173.76 1pfl s ASN 99 N -3.00 0.40 0.01 1.36 -0.87 -1.18 -0.28 114.94 111.38 1pfl s ASN 99 Ca 0.21 -0.86 -0.03 0.00 -1.57 0.00 0.00 52.86 50.61 1pfl s ASN 99 Cb -0.00 0.20 -0.01 0.00 -0.02 0.00 0.00 41.25 41.42 1pfl s ASN 99 CO 0.07 -0.57 0.03 -0.69 -2.57 0.00 0.00 177.10 173.38 1pfl s VAL 100 N -3.50 0.08 -0.09 1.60 1.01 -0.73 -2.05 120.40 116.72 1pfl s VAL 100 Ca 0.03 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1pfl s VAL 100 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1pfl s VAL 100 CO -0.09 -0.39 -0.22 -0.89 0.00 0.00 0.00 175.10 173.52 1pfl s THR 101 N -1.21 2.28 -0.18 3.92 2.01 -0.36 -1.17 115.64 120.93 1pfl s THR 101 Ca -0.13 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 60.92 1pfl s THR 101 Cb -0.08 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.58 1pfl s THR 101 CO -0.00 0.56 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.60 1pfl s VAL 102 N 0.11 2.07 -0.35 3.82 1.01 -0.31 -0.32 120.40 126.44 1pfl s VAL 102 Ca -0.11 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 1pfl s VAL 102 Cb -0.16 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1pfl s VAL 102 CO 0.06 0.52 0.13 0.42 0.00 0.00 0.00 175.10 176.24 1pfl s THR 103 N 1.29 4.01 -0.26 3.92 -4.23 0.32 -1.10 115.64 119.58 1pfl s THR 103 Ca 0.05 -1.05 -0.20 0.00 -1.18 0.00 0.00 61.69 59.31 1pfl s THR 103 Cb -0.13 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.43 1pfl s THR 103 CO -0.13 -0.19 0.60 -0.75 -0.54 0.00 0.00 174.62 173.62 1pfl s LYS 104 N 1.45 4.07 0.00 3.99 2.47 -0.72 -1.69 119.74 129.31 1pfl s LYS 104 Ca -0.01 0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 1pfl s LYS 104 Cb -0.19 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.51 1pfl s LYS 104 CO 0.04 -0.42 0.00 0.25 0.16 0.00 0.00 175.35 175.38 1pfl n THR 105 N 5.22 0.00 0.01 3.43 -2.24 -0.85 -4.70 114.28 115.15 1pfl n THR 105 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1pfl n THR 105 Cb 0.49 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 1pfl n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pfl n ASP 106 N 0.00 0.69 -0.51 3.42 -0.08 -1.25 -4.59 116.55 114.23 1pfl n ASP 106 Ca 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1pfl n ASP 106 Cb 0.00 0.39 -0.00 0.00 2.34 0.00 0.00 41.12 43.85 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pfl n LYS 107 N -2.83 0.00 -4.09 -0.67 5.02 0.15 -5.10 118.16 110.63 1pfl n LYS 107 Ca -0.12 -0.66 -0.14 0.00 -2.02 0.00 0.00 58.31 55.37 1pfl n LYS 107 Cb 0.87 -0.32 -0.12 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.55 -0.77 -0.18 -4.23 -1.26 -4.48 115.64 105.26 1pfl s THR 108 Ca 0.00 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1pfl s THR 108 Cb 0.00 -0.58 0.19 0.00 1.34 0.00 0.00 72.50 73.45 1pfl s THR 108 CO -0.00 -0.26 0.62 -0.22 -0.54 0.00 0.00 174.62 174.21 1pfl s LEU 109 N -1.27 5.28 0.31 4.79 1.98 -0.64 -2.00 118.68 127.13 1pfl s LEU 109 Ca -0.07 -3.50 -0.26 0.00 -2.89 0.00 0.00 54.13 47.42 1pfl s LEU 109 Cb -0.08 -1.83 -0.10 0.00 0.66 0.00 0.00 46.19 44.84 1pfl s LEU 109 CO 0.00 -0.21 0.93 -0.69 -1.89 0.00 0.00 176.35 174.49 1pfl s VAL 110 N -1.00 4.23 0.07 1.68 1.01 -0.68 -1.52 120.40 124.18 1pfl s VAL 110 Ca 0.24 1.80 0.04 0.00 0.00 0.00 0.00 61.98 64.05 1pfl s VAL 110 Cb -0.11 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1pfl s VAL 110 CO -0.10 0.17 -0.11 -0.76 0.00 0.00 0.00 175.10 174.30 1pfl s LEU 111 N -2.00 2.31 -0.27 3.92 1.43 0.74 -0.52 118.68 124.29 1pfl s LEU 111 Ca 0.49 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1pfl s LEU 111 Cb -0.19 -0.32 0.09 0.00 0.03 0.00 0.00 46.19 45.80 1pfl s LEU 111 CO 0.24 -0.18 0.10 -0.22 0.23 0.00 0.00 176.35 176.51 1pfl s LEU 112 N -1.89 1.23 -0.01 1.79 2.96 0.57 -1.69 118.68 121.63 1pfl s LEU 112 Ca -0.03 -1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 52.61 1pfl s LEU 112 Cb -0.08 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 1pfl s LEU 112 CO 0.01 -0.40 0.16 -0.32 -1.32 0.00 0.00 176.35 174.48 1pfl s MET 113 N 1.89 3.36 -0.17 1.98 -2.45 -0.71 -1.23 119.30 121.97 1pfl s MET 113 Ca 0.06 -0.34 -0.29 0.00 -1.25 0.00 0.00 55.69 53.88 1pfl s MET 113 Cb -0.17 -3.05 0.11 0.00 1.25 0.00 0.00 34.83 32.96 1pfl s MET 113 CO -0.24 0.68 0.90 0.20 1.05 0.00 0.00 175.02 177.60 1pfl s GLY 114 N -1.85 -0.35 -0.30 2.11 0.00 -0.87 -0.97 107.32 105.09 1pfl s GLY 114 Ca 0.26 2.00 -0.07 0.00 0.00 0.00 0.00 44.72 46.91 1pfl s GLY 114 CO 0.17 1.27 0.73 0.54 0.00 0.00 0.00 173.10 175.81 1pfl s LYS 115 N -0.67 0.48 -0.54 2.90 1.02 -0.11 -3.09 119.74 119.73 1pfl s LYS 115 Ca -0.03 0.96 0.03 0.00 0.02 0.00 0.00 55.97 56.96 1pfl s LYS 115 Cb -0.02 0.55 0.13 0.00 -0.52 0.00 0.00 37.83 37.98 1pfl s LYS 115 CO 0.02 -0.40 0.29 -2.00 -0.92 0.00 0.00 175.35 172.34 1pfl s GLU 116 N 2.84 2.07 0.00 1.68 2.12 -1.26 -4.71 118.70 121.43 1pfl s GLU 116 Ca 0.08 -2.62 0.00 0.00 0.36 0.00 0.00 54.97 52.80 1pfl s GLU 116 Cb -0.12 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.89 1pfl s GLU 116 CO -0.18 -1.12 0.00 0.41 -0.54 0.00 0.00 175.26 173.83 1pfl n GLY 117 N 3.15 0.00 0.91 -1.50 0.00 -1.26 -4.72 105.19 101.77 1pfl n GLY 117 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1pfl n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pfl n VAL 118 N -1.03 0.39 0.03 1.61 3.14 -1.26 -4.94 118.33 116.28 1pfl n VAL 118 Ca 0.00 -0.10 -0.10 0.00 -2.96 0.00 0.00 64.34 61.18 1pfl n VAL 118 Cb 0.04 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.75 1pfl n VAL 118 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1pfl h HIS 119 N 0.41 -0.17 0.00 1.45 2.76 -1.94 -3.41 115.15 114.24 1pfl h HIS 119 Ca -0.09 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1pfl h HIS 119 Cb 0.38 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1pfl h HIS 119 CO 0.12 0.27 0.00 0.41 -1.30 0.00 0.00 177.93 177.43 1pfl n GLY 120 N 0.87 1.45 0.06 5.26 0.00 -1.26 -4.94 105.19 106.63 1pfl n GLY 120 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.82 -0.41 0.11 -0.02 0.00 -1.26 -3.65 105.19 99.14 1pfl n GLY 121 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 0.48 -0.66 0.99 3.38 -1.99 -2.10 115.31 115.41 1pfl h LEU 122 Ca -0.29 -0.50 -0.13 0.00 0.09 0.00 0.00 57.88 57.06 1pfl h LEU 122 Cb 1.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1pfl h LEU 122 CO -0.00 1.38 -0.32 0.40 0.09 0.00 0.00 178.44 179.98 1pfl h ILE 123 N 0.10 1.28 0.00 1.22 2.04 -1.96 -0.90 117.51 119.30 1pfl h ILE 123 Ca -0.14 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 1pfl h ILE 123 Cb 1.95 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1pfl h ILE 123 CO 0.21 0.47 -0.09 -1.13 0.00 0.00 0.00 178.15 177.61 1pfl h ASN 124 N 0.59 0.00 0.47 1.72 -0.73 -1.59 0.41 115.58 116.44 1pfl h ASN 124 Ca 0.07 0.00 -0.30 0.00 1.87 0.00 0.00 56.30 57.93 1pfl h ASN 124 Cb 0.84 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 1pfl h ASN 124 CO 0.07 0.09 -1.49 0.07 -0.37 0.00 0.00 177.43 175.80 1pfl h LYS 125 N 0.00 0.25 0.00 6.67 5.09 -0.56 -2.79 116.57 125.24 1pfl h LYS 125 Ca -0.00 -0.43 0.00 0.00 0.09 0.00 0.00 60.65 60.31 1pfl h LYS 125 Cb 0.23 0.16 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1pfl h LYS 125 CO 0.01 1.13 0.00 0.87 -2.09 0.00 0.00 179.45 179.37 1pfl h LYS 126 N 0.07 0.00 0.08 0.07 6.56 -0.53 -2.64 116.57 120.19 1pfl h LYS 126 Ca -0.23 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.04 1pfl h LYS 126 Cb 2.01 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.65 1pfl h LYS 126 CO 0.17 0.00 -1.76 0.00 -2.06 0.00 0.00 179.45 175.80 1pfl h TYR 128 N 0.05 0.00 0.17 0.00 3.20 -1.43 -1.18 116.97 117.77 1pfl h TYR 128 Ca -0.32 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.22 1pfl h TYR 128 Cb 2.02 0.00 0.01 0.00 1.54 0.00 0.00 36.73 40.30 1pfl h TYR 128 CO 0.05 0.11 -1.61 0.93 -1.64 0.00 0.00 178.16 176.00 1pfl h GLU 129 N 0.00 0.35 -0.72 1.82 5.08 -1.49 -1.12 114.58 118.50 1pfl h GLU 129 Ca -0.00 -0.60 0.05 0.00 -1.00 0.00 0.00 59.36 57.81 1pfl h GLU 129 Cb 0.22 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 1pfl h GLU 129 CO 0.01 1.24 0.43 1.98 -1.00 0.00 0.00 179.01 181.68 1pfl h MET 130 N 0.10 0.78 0.00 2.33 4.05 -0.78 0.57 114.93 121.97 1pfl h MET 130 Ca -0.28 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.07 1pfl h MET 130 Cb 2.07 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 32.69 1pfl h MET 130 CO 0.19 0.51 -0.10 0.00 0.23 0.00 0.00 176.91 177.74 1pfl h ALA 131 N 1.35 0.94 -0.39 0.39 0.00 -1.34 -3.09 119.26 117.12 1pfl h ALA 131 Ca 0.31 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1pfl h ALA 131 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1pfl h ALA 131 CO -0.16 0.11 0.26 0.77 0.00 0.00 0.00 179.25 180.24 1pfl h SER 132 N 0.00 0.20 0.24 0.00 0.02 0.46 0.44 113.55 114.91 1pfl h SER 132 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1pfl h SER 132 Cb 1.07 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.60 1pfl h SER 132 CO 0.01 0.13 -1.56 -0.74 -1.14 0.00 0.00 176.83 173.53 1pfl h HIS 133 N 0.23 0.92 0.00 3.45 2.76 -1.42 -2.21 115.15 118.88 1pfl h HIS 133 Ca 0.17 -0.67 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1pfl h HIS 133 Cb 0.40 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1pfl h HIS 133 CO -0.00 1.60 0.00 1.28 -1.30 0.00 0.00 177.93 179.51 1pfl n LEU 134 N -3.69 0.00 -0.01 0.26 4.32 -0.22 0.14 117.00 117.79 1pfl n LEU 134 Ca -0.19 0.49 -0.21 0.00 -0.02 0.00 0.00 56.01 56.08 1pfl n LEU 134 Cb 1.10 -0.49 -0.14 0.00 -1.62 0.00 0.00 43.42 42.27 1pfl n LEU 134 CO 0.58 -0.29 -0.86 0.54 -1.22 0.00 0.00 177.39 176.14 1pfl n ARG 135 N -1.49 0.74 0.00 3.23 5.12 0.14 -3.54 116.66 120.86 1pfl n ARG 135 Ca 0.03 0.26 0.15 0.00 -1.93 0.00 0.00 57.85 56.36 1pfl n ARG 135 Cb 0.13 -1.69 0.81 0.00 -1.16 0.00 0.00 32.46 30.56 1pfl n ARG 135 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1pfl n ARG 136 N -3.50 0.62 0.19 5.56 1.74 -0.59 -2.80 116.66 117.87 1pfl n ARG 136 Ca -0.34 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 56.87 1pfl n ARG 136 Cb 1.03 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.09 0.55 4.64 0.11 -3.47 113.55 115.28 1pfl h SER 137 Ca 0.00 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1pfl h SER 137 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1pfl h SER 137 CO 0.00 0.00 -0.04 1.67 -0.87 0.00 0.00 176.83 177.59 1pfl n GLN 138 N -2.96 -0.36 0.00 4.77 -0.06 -1.12 -5.06 117.38 112.60 1pfl n GLN 138 Ca 0.03 0.35 0.13 0.00 -2.00 0.00 0.00 57.00 55.51 1pfl n GLN 138 Cb 0.53 -3.83 0.27 0.00 -4.06 0.00 0.00 30.24 23.15 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52