#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfl n GLY 2 N 0.00 2.22 0.38 0.00 0.00 -1.26 -4.80 105.19 101.73 1pfl n GLY 2 Ca 0.00 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 0.77 -0.31 1.61 -0.00 -2.00 -0.35 115.95 115.67 1pfl h TRP 3 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1pfl h TRP 3 Cb 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.16 28.91 1pfl h TRP 3 CO 0.00 0.26 0.21 -0.91 -0.00 0.00 0.00 178.44 177.99 1pfl h ASN 4 N 0.62 0.25 0.36 -3.49 2.35 -1.92 0.72 115.58 114.48 1pfl h ASN 4 Ca 0.46 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.07 1pfl h ASN 4 Cb 0.84 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1pfl h ASN 4 CO -0.21 0.17 -0.57 0.00 -1.65 0.00 0.00 177.43 175.18 1pfl h ALA 5 N 1.83 0.92 0.00 -0.83 0.00 -1.46 0.25 119.26 119.96 1pfl h ALA 5 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1pfl h ALA 5 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pfl h ALA 5 CO -0.03 0.70 0.00 0.66 0.00 0.00 0.00 179.25 180.59 1pfl n TYR 6 N -3.90 0.54 0.09 0.00 4.01 0.12 -0.45 117.16 117.57 1pfl n TYR 6 Ca -0.02 0.18 0.07 0.00 -0.16 0.00 0.00 57.90 57.97 1pfl n TYR 6 Cb 0.59 -0.79 -0.02 0.00 -0.31 0.00 0.00 39.34 38.81 1pfl n TYR 6 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1pfl h ILE 7 N 0.00 0.19 0.00 -0.72 1.08 0.11 -3.14 117.51 115.03 1pfl h ILE 7 Ca 0.00 -1.36 -0.00 0.00 -0.39 0.00 0.00 64.86 63.11 1pfl h ILE 7 Cb 0.50 1.72 -0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1pfl h ILE 7 CO 0.00 0.11 -0.02 0.44 -0.69 0.00 0.00 178.15 177.99 1pfl h ASP 8 N 0.00 0.00 -0.01 1.72 3.32 0.22 0.52 116.42 122.18 1pfl h ASP 8 Ca -0.05 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1pfl h ASP 8 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1pfl h ASP 8 CO 0.02 0.02 -0.00 -1.13 -1.72 0.00 0.00 179.24 176.42 1pfl h ASN 9 N 0.00 0.03 -0.27 6.45 -1.24 -1.37 0.55 115.58 119.73 1pfl h ASN 9 Ca -0.00 -0.36 0.08 0.00 0.71 0.00 0.00 56.30 56.72 1pfl h ASN 9 Cb 0.39 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1pfl h ASN 9 CO 0.00 0.39 0.24 -0.07 -1.29 0.00 0.00 177.43 176.70 1pfl h LEU 10 N -0.33 0.00 0.00 0.34 3.38 -1.02 0.51 115.31 118.18 1pfl h LEU 10 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1pfl h LEU 10 Cb 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1pfl h LEU 10 CO 0.00 0.00 -2.28 0.23 0.09 0.00 0.00 178.44 176.48 1pfl n MET 11 N -4.06 0.77 0.00 1.13 2.81 -0.17 -4.35 117.12 113.26 1pfl n MET 11 Ca 0.04 0.08 0.16 0.00 -1.81 0.00 0.00 57.70 56.16 1pfl n MET 11 Cb 0.39 -1.46 0.92 0.00 -0.71 0.00 0.00 33.22 32.36 1pfl n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pfl n ALA 12 N -2.97 2.67 1.17 3.04 0.00 0.19 -3.78 120.51 120.84 1pfl n ALA 12 Ca -0.36 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 52.97 1pfl n ALA 12 Cb 1.00 -1.50 0.58 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.97 0.00 -2.58 0.00 5.68 0.17 -4.86 116.55 113.99 1pfl n ASP 13 Ca 0.23 -0.42 -0.15 0.00 -0.50 0.00 0.00 54.79 53.95 1pfl n ASP 13 Cb 0.13 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.34 -0.14 0.00 6.12 0.00 -1.25 -4.15 105.19 106.11 1pfl n GLY 14 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.76 0.00 -1.19 2.61 -1.04 -1.26 -5.09 114.28 106.55 1pfl n THR 15 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1pfl n THR 15 Cb 0.16 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 -0.43 0.00 -4.69 0.00 0.00 -0.11 -4.25 117.38 107.90 1pfl n GLN 17 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.70 1pfl n GLN 17 Cb 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 30.24 30.14 1pfl n GLN 17 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1pfl s ASP 18 N -3.29 3.89 -0.29 1.69 -1.08 0.25 -4.91 116.67 112.93 1pfl s ASP 18 Ca 0.00 -1.55 -0.16 0.00 -0.52 0.00 0.00 52.55 50.32 1pfl s ASP 18 Cb 0.00 0.19 0.17 0.00 -1.46 0.00 0.00 42.92 41.81 1pfl s ASP 18 CO 0.00 -0.71 1.06 0.00 0.52 0.00 0.00 175.17 176.03 1pfl s ALA 19 N -2.86 -2.55 -0.29 3.66 0.00 -1.26 -1.61 121.76 116.85 1pfl s ALA 19 Ca 0.18 2.09 -0.13 0.00 0.00 0.00 0.00 51.96 54.09 1pfl s ALA 19 Cb 0.05 -1.90 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1pfl s ALA 19 CO 0.09 -0.56 0.68 0.00 0.00 0.00 0.00 175.76 175.97 1pfl s ALA 20 N 1.65 -1.97 0.21 0.00 0.00 -0.38 -1.63 121.76 119.64 1pfl s ALA 20 Ca -0.06 2.39 -0.25 0.00 0.00 0.00 0.00 51.96 54.04 1pfl s ALA 20 Cb -0.04 -1.60 -0.08 0.00 0.00 0.00 0.00 23.12 21.40 1pfl s ALA 20 CO -0.15 -0.63 0.81 0.42 0.00 0.00 0.00 175.76 176.21 1pfl s ILE 21 N 2.21 4.35 -0.15 0.00 1.01 0.36 -0.37 121.20 128.61 1pfl s ILE 21 Ca -0.08 1.68 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 1pfl s ILE 21 Cb -0.08 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.37 1pfl s ILE 21 CO -0.19 0.41 0.23 -0.69 0.00 0.00 0.00 174.94 174.70 1pfl s VAL 22 N -1.29 -0.36 -1.09 2.92 1.01 0.10 -2.60 120.40 119.10 1pfl s VAL 22 Ca 0.40 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 1pfl s VAL 22 Cb -0.22 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 1pfl s VAL 22 CO 0.25 0.01 1.91 -0.83 0.00 0.00 0.00 175.10 176.44 1pfl s GLY 23 N 2.37 0.31 0.00 4.51 0.00 0.10 -1.36 107.32 113.25 1pfl s GLY 23 Ca 0.04 -1.98 0.00 0.00 0.00 0.00 0.00 44.72 42.78 1pfl s GLY 23 CO -0.09 3.44 0.56 1.58 0.00 0.00 0.00 173.10 178.59 1pfl n TYR 24 N 13.63 0.00 0.00 1.90 4.11 -1.26 -0.49 117.16 135.05 1pfl n TYR 24 Ca 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 57.90 58.24 1pfl n TYR 24 Cb 0.47 -0.12 0.00 0.00 -0.00 0.00 0.00 39.34 39.69 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 0.13 -0.55 -0.33 -3.48 4.01 -1.26 -4.60 118.16 112.07 1pfl n LYS 25 Ca 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1pfl n LYS 25 Cb 0.28 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 34.85 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 -1.76 -0.53 -4.38 4.39 5.75 -1.26 -3.24 116.55 115.52 1pfl n ASP 26 Ca 0.00 1.52 -0.36 0.00 -0.01 0.00 0.00 54.79 55.94 1pfl n ASP 26 Cb 0.00 -0.36 -0.13 0.00 -1.03 0.00 0.00 41.12 39.60 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 -5.30 4.77 0.75 -1.12 1.04 -1.26 -5.04 113.70 107.54 1pfl s SER 27 Ca -0.12 -0.34 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 1pfl s SER 27 Cb 0.19 -1.84 0.05 0.00 0.10 0.00 0.00 66.02 64.52 1pfl s SER 27 CO 0.63 -0.04 1.13 -2.16 0.98 0.00 0.00 173.24 173.77 1pfl s PRO 28 N 1.54 2.36 0.03 4.02 0.04 -1.20 -4.76 135.00 137.03 1pfl s PRO 28 Ca 0.06 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.04 1pfl s PRO 28 Cb -0.15 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.48 1pfl s PRO 28 CO 0.01 -1.32 1.03 -1.54 0.04 0.00 0.00 177.00 175.21 1pfl s SER 29 N -4.48 -0.21 -0.51 6.66 1.04 0.36 -4.86 113.70 111.69 1pfl s SER 29 Ca 0.60 -0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.69 1pfl s SER 29 Cb -0.11 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.45 1pfl s SER 29 CO 0.50 -0.62 0.51 -0.69 0.98 0.00 0.00 173.24 173.92 1pfl s VAL 30 N -2.97 5.11 0.24 5.02 1.01 -1.26 0.02 120.40 127.57 1pfl s VAL 30 Ca 0.10 -1.09 0.23 0.00 0.00 0.00 0.00 61.98 61.22 1pfl s VAL 30 Cb -0.00 -4.27 0.21 0.00 0.00 0.00 0.00 36.38 32.32 1pfl s VAL 30 CO -0.03 -0.78 1.87 -0.50 0.00 0.00 0.00 175.10 175.65 1pfl h TRP 31 N 8.90 0.00 -1.28 5.22 4.06 -1.83 -3.46 115.95 127.55 1pfl h TRP 31 Ca -0.29 0.00 0.20 0.00 2.06 0.00 0.00 58.89 60.86 1pfl h TRP 31 Cb 1.10 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 29.02 1pfl h TRP 31 CO 0.71 0.25 0.81 0.00 -3.56 0.00 0.00 178.44 176.66 1pfl s ALA 32 N -3.83 -2.06 0.00 1.49 0.00 -1.07 -4.94 121.76 111.35 1pfl s ALA 32 Ca -0.01 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.70 1pfl s ALA 32 Cb 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1pfl s ALA 32 CO 0.64 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 176.07 1pfl n ALA 33 N 0.45 0.00 -1.49 0.00 0.00 -1.26 -0.48 120.51 117.73 1pfl n ALA 33 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.97 1pfl n ALA 33 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1pfl n ALA 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pfl n VAL 34 N -0.02 0.06 -2.47 0.00 0.31 -0.65 -4.78 118.33 110.79 1pfl n VAL 34 Ca 0.00 -0.36 -0.36 0.00 -0.01 0.00 0.00 64.34 63.62 1pfl n VAL 34 Cb 0.00 -1.72 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 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 7.46 3.91 0.00 5.55 0.04 -1.26 -3.77 135.00 146.93 1pfl s PRO 35 Ca 1.12 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1pfl s PRO 35 Cb -0.75 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1pfl s PRO 35 CO 0.42 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1pfl n GLY 36 N 0.15 0.27 0.07 0.56 0.00 -1.26 -4.98 105.19 100.00 1pfl n GLY 36 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.97 0.00 0.00 1.61 4.01 -1.25 -5.09 118.16 115.47 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 -0.09 0.00 0.00 -0.51 0.00 0.00 35.03 34.43 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 -1.65 0.00 -0.27 -0.18 -1.04 -1.26 -5.01 114.28 104.87 1pfl n THR 38 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 1pfl n THR 38 Cb 0.00 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.57 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 1.08 -0.01 -1.42 -1.00 -1.85 -2.05 116.94 111.70 1pfl h PHE 39 Ca 0.00 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1pfl h PHE 39 Cb 0.00 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.22 1pfl h PHE 39 CO 0.00 0.79 0.09 -0.24 -1.61 0.00 0.00 178.31 177.33 1pfl h VAL 40 N 1.06 0.03 -0.49 -0.55 3.04 -1.86 0.29 116.25 117.77 1pfl h VAL 40 Ca 0.26 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.72 1pfl h VAL 40 Cb 0.11 0.92 -0.13 0.00 -2.01 0.00 0.00 31.29 30.17 1pfl h VAL 40 CO -0.03 0.00 0.29 0.59 -1.01 0.00 0.00 177.57 177.40 1pfl n ASN 41 N -3.09 3.42 -4.67 3.17 4.13 -0.77 -4.75 115.26 112.71 1pfl n ASN 41 Ca -0.03 -2.79 -0.43 0.00 1.68 0.00 0.00 54.58 53.02 1pfl n ASN 41 Cb 0.15 -0.67 -0.02 0.00 -1.54 0.00 0.00 39.78 37.70 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 -1.78 4.44 0.53 2.41 1.01 0.10 -4.57 121.20 123.35 1pfl s ILE 42 Ca 0.30 1.74 0.03 0.00 0.00 0.00 0.00 60.65 62.73 1pfl s ILE 42 Cb 0.25 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1pfl s ILE 42 CO 0.06 -0.08 0.27 0.35 0.00 0.00 0.00 174.94 175.55 1pfl n THR 43 N 4.97 0.00 0.99 2.92 -2.24 -1.26 -4.56 114.28 115.09 1pfl n THR 43 Ca 0.12 -2.25 0.08 0.00 -2.27 0.00 0.00 64.05 59.73 1pfl n THR 43 Cb 0.46 0.14 0.45 0.00 -2.10 0.00 0.00 70.33 69.29 1pfl n THR 43 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1pfl n PRO 44 N -1.61 0.49 -0.01 -0.78 -0.04 -1.26 -1.76 135.00 130.03 1pfl n PRO 44 Ca -0.09 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1pfl n PRO 44 Cb 0.63 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.95 0.00 -0.84 0.55 0.00 -1.95 0.58 119.26 120.55 1pfl h ALA 45 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1pfl h ALA 45 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1pfl h ALA 45 CO 0.00 0.03 0.53 1.05 0.00 0.00 0.00 179.25 180.86 1pfl h GLU 46 N -0.21 0.96 0.00 0.00 9.09 -1.78 0.16 114.58 122.80 1pfl h GLU 46 Ca 0.00 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 59.28 1pfl h GLU 46 Cb 0.03 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 26.90 1pfl h GLU 46 CO 0.00 0.63 -0.35 0.28 0.05 0.00 0.00 179.01 179.62 1pfl h VAL 47 N 0.99 0.71 -0.33 -1.06 2.07 -1.48 -2.60 116.25 114.55 1pfl h VAL 47 Ca 0.36 -1.61 0.10 0.00 0.82 0.00 0.00 66.70 66.37 1pfl h VAL 47 Cb 0.12 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1pfl h VAL 47 CO -0.15 0.34 0.24 1.23 0.02 0.00 0.00 177.57 179.25 1pfl h GLY 48 N 2.68 0.00 0.15 2.17 0.00 0.32 -0.91 103.07 107.48 1pfl h GLY 48 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1pfl h GLY 48 CO 0.05 0.00 -2.31 1.55 0.00 0.00 0.00 176.54 175.82 1pfl n VAL 49 N -4.38 1.46 0.30 4.60 3.14 -1.09 -0.73 118.33 121.64 1pfl n VAL 49 Ca 0.05 -0.77 0.19 0.00 -2.96 0.00 0.00 64.34 60.85 1pfl n VAL 49 Cb 0.42 -0.83 0.94 0.00 -1.06 0.00 0.00 33.84 33.31 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 0.00 0.00 0.00 6.55 3.38 -1.04 -3.32 115.31 120.89 1pfl h LEU 50 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1pfl h LEU 50 Cb 2.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.88 1pfl h LEU 50 CO 0.01 0.01 0.00 1.33 0.09 0.00 0.00 178.44 179.88 1pfl n VAL 51 N -3.16 0.00 -1.37 1.22 0.24 -0.39 -5.06 118.33 109.82 1pfl n VAL 51 Ca -0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.91 1pfl n VAL 51 Cb 0.19 0.36 0.05 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.63 0.30 7.63 0.00 0.09 -4.79 105.19 106.79 1pfl n GLY 52 Ca 0.00 -0.27 0.18 0.00 0.00 0.00 0.00 46.02 45.93 1pfl n GLY 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pfl h LYS 53 N -0.04 0.00 -6.02 1.61 5.09 -1.94 -3.44 116.57 111.84 1pfl h LYS 53 Ca -0.45 0.00 -0.81 0.00 0.09 0.00 0.00 60.65 59.48 1pfl h LYS 53 Cb 1.38 0.00 0.04 0.00 0.10 0.00 0.00 32.23 33.75 1pfl h LYS 53 CO 0.45 0.00 0.28 -3.47 -2.09 0.00 0.00 179.45 174.62 1pfl n ASP 54 N -2.83 0.48 -2.23 7.07 -0.08 -1.26 -4.89 116.55 112.81 1pfl n ASP 54 Ca -0.02 1.16 -0.15 0.00 -1.51 0.00 0.00 54.79 54.27 1pfl n ASP 54 Cb 0.17 -0.93 0.04 0.00 2.34 0.00 0.00 41.12 42.74 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 2.36 2.90 0.13 -0.67 0.00 -1.26 -4.92 116.66 115.21 1pfl n ARG 55 Ca 0.23 -3.90 0.00 0.00 -0.00 0.00 0.00 57.85 54.18 1pfl n ARG 55 Cb 0.05 -2.01 0.00 0.00 0.00 0.00 0.00 32.46 30.49 1pfl n ARG 55 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pfl n SER 56 N -0.67 -2.36 0.00 6.15 2.88 -1.26 -5.05 113.62 113.31 1pfl n SER 56 Ca 0.31 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1pfl n SER 56 Cb 0.91 2.38 0.00 0.00 -0.75 0.00 0.00 64.21 66.75 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 -3.13 0.00 0.03 -3.46 3.41 -1.26 -2.72 113.62 106.49 1pfl n SER 57 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1pfl n SER 57 Cb 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.74 117.46 120.10 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 -0.12 0.03 0.00 1.52 0.00 0.00 39.48 40.91 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 -2.57 0.00 -0.03 2.97 4.01 -1.10 0.02 117.16 120.46 1pfl n TYR 59 Ca 0.10 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1pfl n TYR 59 Cb 1.08 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.65 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 -1.43 0.33 -0.10 -0.72 0.24 -0.71 -4.64 118.33 111.30 1pfl n VAL 60 Ca 0.00 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.34 61.92 1pfl n VAL 60 Cb 0.01 -0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 31.52 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 -2.56 1.91 0.00 -1.34 0.23 -1.09 -4.89 115.26 107.52 1pfl n ASN 61 Ca -0.10 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1pfl n ASN 61 Cb 0.62 -0.91 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 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 1.46 4.40 0.00 4.83 0.00 0.10 -4.02 105.19 111.96 1pfl n GLY 62 Ca -0.38 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1pfl n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pfl n LEU 63 N 0.00 0.00 -3.64 0.99 -0.00 -0.16 -4.59 117.00 109.60 1pfl n LEU 63 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 1pfl n LEU 63 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1pfl n LEU 63 CO 0.00 0.00 0.48 0.42 -0.00 0.00 0.00 177.39 178.29 1pfl s THR 64 N 0.37 0.00 -0.28 1.47 -4.23 -1.26 -2.55 115.64 109.16 1pfl s THR 64 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 1pfl s THR 64 Cb 0.00 -1.00 0.09 0.00 1.34 0.00 0.00 72.50 72.93 1pfl s THR 64 CO 0.00 0.00 0.07 -1.48 -0.54 0.00 0.00 174.62 172.67 1pfl s LEU 65 N 0.80 2.12 -0.30 4.79 0.05 -0.84 -4.02 118.68 121.27 1pfl s LEU 65 Ca -0.03 -1.45 0.00 0.00 0.05 0.00 0.00 54.13 52.70 1pfl s LEU 65 Cb -0.05 -0.86 0.00 0.00 -2.05 0.00 0.00 46.19 43.23 1pfl s LEU 65 CO -0.08 -0.38 0.00 0.61 -0.55 0.00 0.00 176.35 175.96 1pfl n GLY 66 N 4.86 0.40 1.60 -3.48 0.00 -1.26 -2.60 105.19 104.71 1pfl n GLY 66 Ca -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.68 0.57 3.33 -0.02 0.00 -1.26 -4.82 105.19 101.31 1pfl n GLY 67 Ca -0.04 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.59 2.77 -0.40 1.61 2.00 -1.07 -5.04 119.66 118.94 1pfl s GLN 68 Ca 0.00 -1.34 -0.28 0.00 -2.00 0.00 0.00 55.36 51.75 1pfl s GLN 68 Cb 0.00 -3.88 -0.03 0.00 0.80 0.00 0.00 33.01 29.90 1pfl s GLN 68 CO 0.00 -0.92 1.92 0.21 -0.50 0.00 0.00 175.29 176.00 1pfl s LYS 69 N 1.52 3.03 -0.17 1.67 2.20 -1.26 -1.99 119.74 124.74 1pfl s LYS 69 Ca 0.03 1.31 -0.01 0.00 -0.36 0.00 0.00 55.97 56.94 1pfl s LYS 69 Cb -0.22 -4.30 -0.00 0.00 -1.51 0.00 0.00 37.83 31.79 1pfl s LYS 69 CO 0.05 -2.23 -0.12 0.00 -0.36 0.00 0.00 175.35 172.69 1pfl s SER 71 N 1.01 6.80 -0.37 0.00 1.04 -0.62 -0.99 113.70 120.56 1pfl s SER 71 Ca -0.01 2.10 -0.28 0.00 0.48 0.00 0.00 55.95 58.24 1pfl s SER 71 Cb -0.15 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 1pfl s SER 71 CO -0.02 -0.80 1.93 -0.69 0.98 0.00 0.00 173.24 174.64 1pfl s VAL 72 N 3.11 3.34 -1.05 5.02 1.01 -1.26 -0.74 120.40 129.82 1pfl s VAL 72 Ca 0.66 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.92 1pfl s VAL 72 Cb -0.31 -3.53 0.31 0.00 0.00 0.00 0.00 36.38 32.86 1pfl s VAL 72 CO 0.26 -0.39 1.51 -0.38 0.00 0.00 0.00 175.10 176.10 1pfl n ILE 73 N 7.50 5.36 0.00 2.22 5.41 0.27 -4.76 119.36 135.36 1pfl n ILE 73 Ca 0.25 -5.93 0.00 0.00 1.00 0.00 0.00 62.75 58.07 1pfl n ILE 73 Cb 0.48 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 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 1.06 0.00 -3.53 0.38 0.63 -1.26 -3.55 116.66 110.40 1pfl n ARG 74 Ca 0.29 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.81 1pfl n ARG 74 Cb 0.32 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.16 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 5.81 -0.15 6.15 2.15 -1.26 -1.09 116.67 128.28 1pfl s ASP 75 Ca 0.00 -2.08 0.14 0.00 0.43 0.00 0.00 52.55 51.05 1pfl s ASP 75 Cb 0.00 -2.03 0.37 0.00 -0.30 0.00 0.00 42.92 40.96 1pfl s ASP 75 CO 0.00 -0.67 1.18 -0.24 -0.17 0.00 0.00 175.17 175.28 1pfl n SER 76 N 4.70 1.63 0.28 -0.34 2.88 -0.65 -4.80 113.62 117.32 1pfl n SER 76 Ca -0.05 -3.32 0.14 0.00 -1.33 0.00 0.00 58.87 54.32 1pfl n SER 76 Cb 0.41 -0.45 0.80 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.73 0.00 -8.95 2.46 6.46 -1.67 1.04 115.31 115.38 1pfl h LEU 77 Ca -0.04 0.00 -0.63 0.00 -0.12 0.00 0.00 57.88 57.09 1pfl h LEU 77 Cb 1.17 0.00 -0.16 0.00 -0.73 0.00 0.00 40.66 40.93 1pfl h LEU 77 CO 0.02 0.08 -0.52 -0.76 -0.62 0.00 0.00 178.44 176.64 1pfl s LEU 78 N -7.11 4.03 -0.36 2.25 1.43 -1.26 -4.00 118.68 113.66 1pfl s LEU 78 Ca -0.03 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1pfl s LEU 78 Cb 0.13 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 44.14 1pfl s LEU 78 CO 0.56 -0.01 1.36 0.00 0.23 0.00 0.00 176.35 178.48 1pfl n GLN 79 N 4.80 0.03 -1.07 1.70 10.64 -1.26 -4.22 117.38 128.00 1pfl n GLN 79 Ca -0.14 -0.61 -0.11 0.00 -1.83 0.00 0.00 57.00 54.31 1pfl n GLN 79 Cb 0.52 -2.05 0.27 0.00 -0.86 0.00 0.00 30.24 28.12 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 9.77 4.41 0.00 2.61 2.03 -1.26 -4.73 116.55 129.39 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 0.46 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.49 1.69 2.13 0.27 0.00 -1.26 -4.96 105.19 102.56 1pfl n GLY 81 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.20 0.00 -0.63 1.61 4.71 -1.26 -5.00 120.64 118.86 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 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.47 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 -3.16 0.00 -3.60 -0.32 -1.74 0.34 -4.90 117.46 104.08 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 -1.58 -0.07 0.00 1.52 0.00 0.00 39.48 39.35 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 -2.02 6.44 -0.07 5.98 1.04 0.02 -2.04 113.70 123.05 1pfl s SER 84 Ca 0.00 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1pfl s SER 84 Cb 0.00 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.98 1pfl s SER 84 CO 0.00 0.17 -0.04 -0.32 0.98 0.00 0.00 173.24 174.03 1pfl s MET 85 N 0.10 0.99 0.26 4.02 1.75 -0.53 -1.63 119.30 124.25 1pfl s MET 85 Ca 0.16 -0.10 -0.23 0.00 -1.25 0.00 0.00 55.69 54.28 1pfl s MET 85 Cb -0.13 -1.10 -0.09 0.00 2.84 0.00 0.00 34.83 36.36 1pfl s MET 85 CO 0.04 -0.18 0.81 -0.51 -0.65 0.00 0.00 175.02 174.53 1pfl s ASP 86 N 1.41 7.19 -0.05 1.11 1.11 -0.25 -0.98 116.67 126.21 1pfl s ASP 86 Ca -0.03 1.60 -0.06 0.00 0.18 0.00 0.00 52.55 54.23 1pfl s ASP 86 Cb -0.13 -2.49 0.01 0.00 1.07 0.00 0.00 42.92 41.38 1pfl s ASP 86 CO -0.03 0.01 0.17 -0.76 1.18 0.00 0.00 175.17 175.73 1pfl s LEU 87 N -1.95 1.38 -0.16 1.23 1.43 -0.98 0.98 118.68 120.62 1pfl s LEU 87 Ca 0.45 0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 1pfl s LEU 87 Cb -0.18 0.62 0.06 0.00 0.03 0.00 0.00 46.19 46.73 1pfl s LEU 87 CO 0.22 -0.14 0.36 0.00 0.23 0.00 0.00 176.35 177.02 1pfl s ARG 88 N -0.28 0.31 -0.78 1.70 1.70 0.08 0.17 118.95 121.85 1pfl s ARG 88 Ca -0.04 0.78 -0.23 0.00 -0.47 0.00 0.00 55.73 55.77 1pfl s ARG 88 Cb -0.03 0.02 -0.17 0.00 -0.57 0.00 0.00 34.95 34.21 1pfl s ARG 88 CO 0.01 -0.19 2.39 0.25 -1.08 0.00 0.00 175.30 176.67 1pfl n THR 89 N 4.60 -0.02 -2.93 4.99 -2.24 0.37 -1.59 114.28 117.47 1pfl n THR 89 Ca -0.19 -0.53 -0.40 0.00 -2.27 0.00 0.00 64.05 60.66 1pfl n THR 89 Cb 0.53 -1.72 -0.06 0.00 -2.10 0.00 0.00 70.33 66.98 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 8.48 4.60 0.00 -0.78 1.02 -1.26 -2.44 119.74 129.36 1pfl s LYS 90 Ca 1.03 1.20 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1pfl s LYS 90 Cb -0.33 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1pfl s LYS 90 CO 0.23 0.46 0.00 0.45 -0.92 0.00 0.00 175.35 175.56 1pfl n SER 91 N 2.00 0.95 -4.99 2.83 2.88 -1.26 -5.01 113.62 111.02 1pfl n SER 91 Ca -0.04 -0.01 -0.21 0.00 -1.33 0.00 0.00 58.87 57.28 1pfl n SER 91 Cb 0.49 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1pfl n SER 91 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1pfl s THR 92 N -0.07 2.20 -0.98 2.46 -4.23 -1.26 -4.98 115.64 108.79 1pfl s THR 92 Ca 0.00 -1.14 -0.24 0.00 -1.18 0.00 0.00 61.69 59.13 1pfl s THR 92 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1pfl s THR 92 CO 0.00 0.00 1.85 -0.83 -0.54 0.00 0.00 174.62 175.10 1pfl s GLY 93 N -4.49 0.42 0.00 3.99 0.00 -1.26 -1.91 107.32 104.08 1pfl s GLY 93 Ca 0.53 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1pfl s GLY 93 CO 0.33 3.33 0.00 0.61 0.00 0.00 0.00 173.10 177.37 1pfl n GLY 94 N 6.66 2.06 3.91 0.20 0.00 -1.26 -5.13 105.19 111.62 1pfl n GLY 94 Ca 0.40 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 2.75 -0.23 4.61 0.00 -0.80 -5.05 121.76 123.04 1pfl s ALA 95 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1pfl s ALA 95 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 1pfl s ALA 95 CO 0.00 -1.60 0.20 -1.25 0.00 0.00 0.00 175.76 173.11 1pfl s PRO 96 N -5.51 4.08 0.49 0.00 0.04 -1.26 -4.73 135.00 128.11 1pfl s PRO 96 Ca 0.62 -0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.45 1pfl s PRO 96 Cb -0.11 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1pfl s PRO 96 CO 0.48 0.04 0.73 0.95 0.04 0.00 0.00 177.00 179.24 1pfl s THR 97 N 1.10 3.82 -0.05 1.26 -4.23 -1.26 -4.79 115.64 111.50 1pfl s THR 97 Ca 0.09 -0.41 -0.09 0.00 -1.18 0.00 0.00 61.69 60.11 1pfl s THR 97 Cb -0.14 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.28 1pfl s THR 97 CO 0.05 -0.34 0.21 -0.36 -0.54 0.00 0.00 174.62 173.64 1pfl s PHE 98 N -2.66 -0.14 0.00 3.99 0.08 -1.02 -4.66 117.98 113.57 1pfl s PHE 98 Ca 0.50 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.86 1pfl s PHE 98 Cb -0.10 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.39 1pfl s PHE 98 CO 0.39 -0.21 0.00 0.09 -0.10 0.00 0.00 175.22 175.39 1pfl n ASN 99 N 2.23 1.19 -3.68 1.36 3.02 -1.04 0.14 115.26 118.48 1pfl n ASN 99 Ca -0.17 -0.63 -0.01 0.00 -0.03 0.00 0.00 54.58 53.74 1pfl n ASN 99 Cb 0.57 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1pfl n ASN 99 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pfl s VAL 100 N 0.40 0.00 -0.07 2.41 1.01 0.46 0.20 120.40 124.81 1pfl s VAL 100 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1pfl s VAL 100 Cb 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1pfl s VAL 100 CO 0.00 0.00 0.19 -0.89 0.00 0.00 0.00 175.10 174.40 1pfl s THR 101 N -2.85 0.00 -0.15 3.92 2.01 0.42 -2.31 115.64 116.68 1pfl s THR 101 Ca 0.14 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 1pfl s THR 101 Cb 0.01 -0.28 0.04 0.00 0.01 0.00 0.00 72.50 72.28 1pfl s THR 101 CO -0.00 -0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.21 1pfl s VAL 102 N 0.02 0.71 -0.38 3.82 1.01 -0.15 -1.49 120.40 123.93 1pfl s VAL 102 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1pfl s VAL 102 Cb -0.02 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.42 1pfl s VAL 102 CO 0.00 0.05 0.19 0.42 0.00 0.00 0.00 175.10 175.76 1pfl s THR 103 N 1.80 4.09 -0.28 3.92 -4.23 -0.71 -1.46 115.64 118.78 1pfl s THR 103 Ca 0.01 -1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 59.18 1pfl s THR 103 Cb -0.15 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 1pfl s THR 103 CO -0.07 -0.35 0.17 -0.75 -0.54 0.00 0.00 174.62 173.08 1pfl s LYS 104 N 1.43 3.88 0.00 3.99 2.47 -0.87 -1.64 119.74 129.00 1pfl s LYS 104 Ca 0.01 -0.36 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1pfl s LYS 104 Cb -0.21 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.54 1pfl s LYS 104 CO 0.03 -0.20 0.00 0.25 0.16 0.00 0.00 175.35 175.59 1pfl n THR 105 N 5.04 0.00 -0.01 3.43 -2.24 -0.70 -4.63 114.28 115.18 1pfl n THR 105 Ca -0.14 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 1pfl n THR 105 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.58 -1.20 3.42 2.03 -1.25 -4.56 116.55 115.57 1pfl n ASP 106 Ca 0.00 0.26 0.01 0.00 0.52 0.00 0.00 54.79 55.58 1pfl n ASP 106 Cb 0.00 0.53 -0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1pfl n ASP 106 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pfl n LYS 107 N -2.80 0.00 -3.80 -0.67 5.02 0.20 -5.09 118.16 111.01 1pfl n LYS 107 Ca -0.15 -1.56 -0.12 0.00 -2.02 0.00 0.00 58.31 54.46 1pfl n LYS 107 Cb 0.89 0.02 -0.09 0.00 -0.02 0.00 0.00 35.03 35.83 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 0.08 -0.37 -0.18 -4.23 -1.26 -4.64 115.64 105.03 1pfl s THR 108 Ca 0.21 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1pfl s THR 108 Cb 0.24 -0.66 0.11 0.00 1.34 0.00 0.00 72.50 73.53 1pfl s THR 108 CO -0.10 -0.35 0.13 -0.22 -0.54 0.00 0.00 174.62 173.54 1pfl s LEU 109 N -1.57 3.62 0.09 4.79 0.20 -0.47 -1.72 118.68 123.62 1pfl s LEU 109 Ca -0.11 -2.21 -0.11 0.00 0.69 0.00 0.00 54.13 52.39 1pfl s LEU 109 Cb -0.05 -1.31 -0.06 0.00 -0.43 0.00 0.00 46.19 44.34 1pfl s LEU 109 CO 0.01 -0.35 0.43 -0.69 -0.29 0.00 0.00 176.35 175.46 1pfl s VAL 110 N 0.84 5.04 0.05 1.68 1.01 -0.65 0.03 120.40 128.41 1pfl s VAL 110 Ca 0.13 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.71 1pfl s VAL 110 Cb -0.20 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1pfl s VAL 110 CO -0.10 0.30 -0.14 -0.76 0.00 0.00 0.00 175.10 174.40 1pfl s LEU 111 N -1.85 2.20 -0.31 3.92 1.43 0.49 -1.74 118.68 122.82 1pfl s LEU 111 Ca 0.33 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1pfl s LEU 111 Cb -0.14 -0.58 0.11 0.00 0.03 0.00 0.00 46.19 45.60 1pfl s LEU 111 CO 0.18 0.00 0.14 -0.22 0.23 0.00 0.00 176.35 176.69 1pfl s LEU 112 N -1.31 1.19 0.27 1.79 2.96 -0.55 -1.25 118.68 121.78 1pfl s LEU 112 Ca 0.01 -1.62 0.10 0.00 -0.22 0.00 0.00 54.13 52.40 1pfl s LEU 112 Cb -0.08 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.03 1pfl s LEU 112 CO 0.02 -0.40 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.29 1pfl s MET 113 N 1.69 2.18 0.00 1.98 -2.45 -0.63 -0.44 119.30 121.63 1pfl s MET 113 Ca 0.11 -1.49 0.00 0.00 -1.25 0.00 0.00 55.69 53.07 1pfl s MET 113 Cb -0.18 -2.09 0.00 0.00 1.25 0.00 0.00 34.83 33.81 1pfl s MET 113 CO -0.25 0.35 0.00 0.41 1.05 0.00 0.00 175.02 176.58 1pfl n GLY 114 N -0.85 3.81 3.52 2.11 0.00 0.13 -0.58 105.19 113.33 1pfl n GLY 114 Ca -0.06 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 1pfl n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfl s LYS 115 N -2.84 0.50 -0.60 1.61 1.02 -1.26 -2.48 119.74 115.69 1pfl s LYS 115 Ca 0.00 1.30 -0.04 0.00 0.02 0.00 0.00 55.97 57.25 1pfl s LYS 115 Cb 0.00 0.65 0.15 0.00 -0.52 0.00 0.00 37.83 38.11 1pfl s LYS 115 CO 0.00 -0.21 0.42 -2.00 -0.92 0.00 0.00 175.35 172.64 1pfl s GLU 116 N 2.71 2.54 0.00 1.68 2.12 -1.26 -4.59 118.70 121.90 1pfl s GLU 116 Ca -0.05 -2.38 0.00 0.00 0.36 0.00 0.00 54.97 52.90 1pfl s GLU 116 Cb -0.12 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1pfl s GLU 116 CO -0.17 -1.17 0.00 0.41 -0.54 0.00 0.00 175.26 173.79 1pfl n GLY 117 N 3.76 0.00 2.98 -1.50 0.00 -1.26 -4.85 105.19 104.32 1pfl n GLY 117 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.46 0.00 -0.07 1.61 3.14 -1.26 -4.98 118.33 115.30 1pfl n VAL 118 Ca 0.00 -0.48 -0.10 0.00 -2.96 0.00 0.00 64.34 60.80 1pfl n VAL 118 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 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 -0.52 0.00 0.00 1.45 2.76 -1.90 -3.50 115.15 113.44 1pfl h HIS 119 Ca -0.41 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 1pfl h HIS 119 Cb 1.31 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1pfl h HIS 119 CO 0.21 0.59 0.00 0.41 -1.30 0.00 0.00 177.93 177.84 1pfl n GLY 120 N 1.61 0.98 0.06 5.26 0.00 -1.26 -4.98 105.19 106.86 1pfl n GLY 120 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.92 -0.81 0.16 -0.02 0.00 -1.26 -3.82 105.19 98.51 1pfl n GLY 121 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 0.70 -0.79 0.99 -0.00 -1.98 -2.43 115.31 111.79 1pfl h LEU 122 Ca -0.32 -0.63 -0.09 0.00 -0.00 0.00 0.00 57.88 56.84 1pfl h LEU 122 Cb 1.67 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 42.09 1pfl h LEU 122 CO 0.02 1.45 -0.10 0.40 -0.00 0.00 0.00 178.44 180.21 1pfl h ILE 123 N 0.23 1.26 0.00 1.22 2.04 -1.91 0.75 117.51 121.11 1pfl h ILE 123 Ca -0.14 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.53 1pfl h ILE 123 Cb 1.82 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1pfl h ILE 123 CO 0.21 0.40 -0.13 -1.13 0.00 0.00 0.00 178.15 177.49 1pfl h ASN 124 N 0.73 0.00 0.67 1.72 -1.24 -1.64 -0.91 115.58 114.92 1pfl h ASN 124 Ca 0.13 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.87 1pfl h ASN 124 Cb 0.58 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 1pfl h ASN 124 CO 0.04 0.13 -1.39 0.11 -1.29 0.00 0.00 177.43 175.03 1pfl h LYS 125 N 0.00 0.06 0.00 6.67 1.79 -0.65 -2.96 116.57 121.49 1pfl h LYS 125 Ca -0.00 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 1pfl h LYS 125 Cb 0.24 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1pfl h LYS 125 CO 0.02 0.85 -0.41 0.87 -1.08 0.00 0.00 179.45 179.70 1pfl h LYS 126 N 0.02 0.00 0.18 3.15 6.56 -0.56 -2.74 116.57 123.18 1pfl h LYS 126 Ca -0.17 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.09 1pfl h LYS 126 Cb 1.92 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.59 1pfl h LYS 126 CO 0.12 0.17 -1.63 0.00 -2.06 0.00 0.00 179.45 176.05 1pfl h TYR 128 N 0.10 0.20 0.11 0.00 3.20 -1.56 -1.56 116.97 117.46 1pfl h TYR 128 Ca -0.29 -0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.30 1pfl h TYR 128 Cb 2.09 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 40.30 1pfl h TYR 128 CO 0.09 0.19 -1.20 0.93 -1.64 0.00 0.00 178.16 176.54 1pfl h GLU 129 N 0.21 0.36 -0.26 1.82 5.08 -1.47 -2.30 114.58 118.02 1pfl h GLU 129 Ca 0.05 -0.54 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1pfl h GLU 129 Cb 0.10 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1pfl h GLU 129 CO -0.00 1.23 0.02 1.98 -1.00 0.00 0.00 179.01 181.24 1pfl h MET 130 N 0.13 0.11 0.00 2.33 4.05 -0.46 0.41 114.93 121.50 1pfl h MET 130 Ca -0.14 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.23 1pfl h MET 130 Cb 1.90 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.67 1pfl h MET 130 CO 0.21 0.07 -0.20 0.00 0.23 0.00 0.00 176.91 177.22 1pfl h ALA 131 N 1.21 1.10 -0.43 0.39 0.00 -1.41 -2.21 119.26 117.90 1pfl h ALA 131 Ca 0.12 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1pfl h ALA 131 Cb 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pfl h ALA 131 CO -0.19 0.25 0.29 0.77 0.00 0.00 0.00 179.25 180.38 1pfl h SER 132 N 0.00 0.26 0.35 0.00 0.02 -0.31 0.36 113.55 114.22 1pfl h SER 132 Ca -0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1pfl h SER 132 Cb 0.62 -0.05 0.03 0.00 0.14 0.00 0.00 62.40 63.14 1pfl h SER 132 CO 0.03 0.16 -1.43 -0.74 -1.14 0.00 0.00 176.83 173.71 1pfl h HIS 133 N 0.29 0.88 0.00 3.45 2.76 -1.17 -2.36 115.15 119.01 1pfl h HIS 133 Ca 0.19 -0.64 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 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 1.50 0.00 1.28 -1.30 0.00 0.00 177.93 179.41 1pfl n LEU 134 N -3.68 0.00 -0.02 0.26 4.32 -0.16 0.13 117.00 117.85 1pfl n LEU 134 Ca -0.15 0.47 -0.21 0.00 -0.02 0.00 0.00 56.01 56.10 1pfl n LEU 134 Cb 1.09 -0.47 -0.14 0.00 -1.62 0.00 0.00 43.42 42.29 1pfl n LEU 134 CO 0.59 -0.26 -0.92 0.54 -1.22 0.00 0.00 177.39 176.12 1pfl n ARG 135 N -1.47 0.74 0.00 3.23 1.74 0.11 -3.60 116.66 117.41 1pfl n ARG 135 Ca 0.04 0.24 0.15 0.00 -0.77 0.00 0.00 57.85 57.50 1pfl n ARG 135 Cb 0.14 -1.67 0.79 0.00 -1.02 0.00 0.00 32.46 30.71 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 -3.43 0.60 0.19 5.56 5.12 -0.49 -2.80 116.66 121.41 1pfl n ARG 136 Ca -0.35 0.01 0.12 0.00 -1.93 0.00 0.00 57.85 55.70 1pfl n ARG 136 Cb 1.04 -1.50 0.13 0.00 -1.16 0.00 0.00 32.46 30.96 1pfl n ARG 136 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1pfl h SER 137 N 0.00 0.00 -0.13 0.55 4.64 0.10 -3.48 113.55 115.23 1pfl h SER 137 Ca 0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1pfl h SER 137 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1pfl h SER 137 CO 0.00 0.00 -0.01 1.67 -0.87 0.00 0.00 176.83 177.62 1pfl n GLN 138 N -2.99 -0.04 0.00 4.77 7.27 -1.12 -5.06 117.38 120.21 1pfl n GLN 138 Ca 0.03 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.12 1pfl n GLN 138 Cb 0.53 -3.47 0.00 0.00 2.41 0.00 0.00 30.24 29.72 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79