#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 0.69 0.21 0.00 0.00 -1.26 -4.97 105.19 99.85 1pfl n GLY 2 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.25 -0.13 1.61 -0.00 -2.00 0.46 115.95 115.65 1pfl h TRP 3 Ca 0.00 0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1pfl h TRP 3 Cb 0.57 0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.92 1pfl h TRP 3 CO 0.00 -0.21 0.17 -2.95 -0.00 0.00 0.00 178.44 175.45 1pfl h ASN 4 N 0.01 0.00 -0.11 -3.49 -1.07 -1.93 0.10 115.58 109.09 1pfl h ASN 4 Ca 0.25 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.40 1pfl h ASN 4 Cb 0.39 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.65 1pfl h ASN 4 CO -0.53 0.00 -0.79 0.00 0.07 0.00 0.00 177.43 176.18 1pfl h ALA 5 N 1.78 0.32 0.00 4.14 0.00 -1.30 0.30 119.26 124.50 1pfl h ALA 5 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1pfl h ALA 5 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pfl h ALA 5 CO -0.00 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.60 1pfl n TYR 6 N -3.92 0.33 0.00 0.00 4.01 -0.06 -0.51 117.16 117.01 1pfl n TYR 6 Ca -0.07 0.12 -0.05 0.00 -0.16 0.00 0.00 57.90 57.74 1pfl n TYR 6 Cb 0.75 -0.69 -0.11 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 -1.79 1.41 0.31 -0.72 2.08 -0.69 -3.41 119.36 116.54 1pfl n ILE 7 Ca 0.04 -0.75 0.19 0.00 0.56 0.00 0.00 62.75 62.80 1pfl n ILE 7 Cb 0.25 -0.89 0.91 0.00 -0.75 0.00 0.00 39.64 39.16 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 0.33 4.38 5.19 0.22 -2.75 116.42 123.80 1pfl h ASP 8 Ca -0.23 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1pfl h ASP 8 Cb 1.81 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.29 1pfl h ASP 8 CO 0.06 0.00 -0.50 -1.13 -3.12 0.00 0.00 179.24 174.55 1pfl h ASN 9 N 0.00 -1.44 -0.91 6.45 -1.24 -1.39 0.28 115.58 117.33 1pfl h ASN 9 Ca 0.00 0.13 0.21 0.00 0.71 0.00 0.00 56.30 57.36 1pfl h ASN 9 Cb 0.26 0.50 -0.12 0.00 0.73 0.00 0.00 38.32 39.69 1pfl h ASN 9 CO 0.00 -0.61 0.43 -0.07 -1.29 0.00 0.00 177.43 175.89 1pfl h LEU 10 N -0.88 0.41 -0.26 0.34 -0.00 -1.69 0.38 115.31 113.60 1pfl h LEU 10 Ca -0.03 0.14 -0.21 0.00 -0.00 0.00 0.00 57.88 57.78 1pfl h LEU 10 Cb 0.82 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1pfl h LEU 10 CO -0.16 0.05 -0.84 0.24 -0.00 0.00 0.00 178.44 177.73 1pfl h MET 11 N 0.46 0.45 -0.00 1.13 2.86 -1.31 -3.16 114.93 115.36 1pfl h MET 11 Ca 0.56 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1pfl h MET 11 Cb 1.04 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.80 1pfl h MET 11 CO -0.50 1.07 -0.10 0.00 1.06 0.00 0.00 176.91 178.44 1pfl n ALA 12 N -2.54 2.73 1.00 6.32 0.00 0.90 -4.34 120.51 124.57 1pfl n ALA 12 Ca -0.06 -0.24 0.11 0.00 0.00 0.00 0.00 53.44 53.26 1pfl n ALA 12 Cb 0.77 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.06 2.48 -0.65 0.00 5.68 0.97 -4.98 116.55 119.00 1pfl n ASP 13 Ca 0.14 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1pfl n ASP 13 Cb 0.28 0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 1.39 0.00 0.00 6.12 0.00 -1.26 -4.36 105.19 107.08 1pfl n GLY 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1pfl n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pfl n THR 15 N -0.65 0.00 -1.75 2.61 -1.04 -1.26 -5.05 114.28 107.15 1pfl n THR 15 Ca 0.00 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.05 61.79 1pfl n THR 15 Cb 0.00 1.01 0.04 0.00 -1.82 0.00 0.00 70.33 69.56 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 -1.57 0.00 -2.24 0.00 0.00 -0.38 -3.92 117.38 109.26 1pfl n GLN 17 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 57.01 1pfl n GLN 17 Cb 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 30.24 30.36 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 -2.44 -0.12 -3.64 1.69 2.03 -0.77 -4.92 116.55 108.38 1pfl n ASP 18 Ca 0.00 -1.31 -0.04 0.00 0.52 0.00 0.00 54.79 53.96 1pfl n ASP 18 Cb 0.00 0.27 -0.07 0.00 -0.72 0.00 0.00 41.12 40.61 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 -2.10 -2.23 -0.18 -1.67 0.00 -1.26 -1.22 121.76 113.10 1pfl s ALA 19 Ca 0.06 2.05 -0.05 0.00 0.00 0.00 0.00 51.96 54.02 1pfl s ALA 19 Cb 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 23.12 21.52 1pfl s ALA 19 CO 0.04 -0.29 0.13 0.00 0.00 0.00 0.00 175.76 175.64 1pfl s ALA 20 N 0.90 0.18 -0.15 0.00 0.00 -0.78 -1.71 121.76 120.20 1pfl s ALA 20 Ca -0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 1pfl s ALA 20 Cb -0.04 -1.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1pfl s ALA 20 CO -0.12 -1.16 0.74 0.42 0.00 0.00 0.00 175.76 175.65 1pfl s ILE 21 N 2.20 4.96 -0.13 0.00 1.01 -0.85 -0.49 121.20 127.91 1pfl s ILE 21 Ca 0.04 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.14 1pfl s ILE 21 Cb -0.16 -4.06 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1pfl s ILE 21 CO -0.10 0.11 -0.01 -0.69 0.00 0.00 0.00 174.94 174.25 1pfl s VAL 22 N 1.70 0.68 -1.00 2.92 1.01 -0.03 -0.88 120.40 124.80 1pfl s VAL 22 Ca 0.36 -0.31 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 1pfl s VAL 22 Cb -0.17 -0.92 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1pfl s VAL 22 CO 0.14 0.11 2.05 -0.83 0.00 0.00 0.00 175.10 176.57 1pfl s GLY 23 N 1.82 -0.22 -0.05 4.51 0.00 0.14 -1.36 107.32 112.17 1pfl s GLY 23 Ca 0.02 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1pfl s GLY 23 CO -0.07 3.77 1.09 1.58 0.00 0.00 0.00 173.10 179.47 1pfl n TYR 24 N 15.87 0.34 0.00 1.90 4.11 -1.26 -0.81 117.16 137.31 1pfl n TYR 24 Ca 0.43 -0.63 0.00 0.00 -0.00 0.00 0.00 57.90 57.69 1pfl n TYR 24 Cb 0.46 -0.32 0.00 0.00 -0.00 0.00 0.00 39.34 39.48 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 0.31 1.27 -0.21 -3.48 4.01 -1.26 -4.73 118.16 114.06 1pfl n LYS 25 Ca 0.07 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.78 1pfl n LYS 25 Cb 0.62 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.11 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 -1.53 -3.51 4.39 2.03 -2.01 -3.32 116.42 112.47 1pfl h ASP 26 Ca 0.00 0.25 -0.63 0.00 -0.73 0.00 0.00 57.03 55.92 1pfl h ASP 26 Cb 0.00 0.69 -0.19 0.00 -0.83 0.00 0.00 39.33 39.01 1pfl h ASP 26 CO 0.00 -0.33 -0.58 -0.94 -1.03 0.00 0.00 179.24 176.36 1pfl s SER 27 N -5.17 5.49 0.61 4.15 1.04 -1.26 -5.03 113.70 113.53 1pfl s SER 27 Ca -0.14 -0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.16 1pfl s SER 27 Cb 0.13 -1.97 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 1pfl s SER 27 CO 0.66 0.07 0.98 -2.16 0.98 0.00 0.00 173.24 173.77 1pfl s PRO 28 N 1.01 3.34 0.10 4.02 0.04 -1.25 -4.72 135.00 137.54 1pfl s PRO 28 Ca 0.05 0.49 -0.25 0.00 0.04 0.00 0.00 61.00 61.32 1pfl s PRO 28 Cb -0.14 -2.15 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1pfl s PRO 28 CO 0.03 -0.62 0.68 -1.54 0.04 0.00 0.00 177.00 175.59 1pfl s SER 29 N -4.22 -0.52 -0.61 6.66 1.04 0.01 -4.88 113.70 111.18 1pfl s SER 29 Ca 0.54 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.84 1pfl s SER 29 Cb -0.11 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.65 1pfl s SER 29 CO 0.51 -0.85 0.76 -0.69 0.98 0.00 0.00 173.24 173.95 1pfl s VAL 30 N -3.36 4.74 0.22 5.02 1.01 -1.26 0.28 120.40 127.04 1pfl s VAL 30 Ca 0.01 -0.91 0.22 0.00 0.00 0.00 0.00 61.98 61.30 1pfl s VAL 30 Cb -0.01 -4.53 0.21 0.00 0.00 0.00 0.00 36.38 32.04 1pfl s VAL 30 CO -0.10 -1.20 1.85 -0.50 0.00 0.00 0.00 175.10 175.15 1pfl h TRP 31 N 9.24 0.00 0.00 5.22 4.06 -1.33 -3.42 115.95 129.71 1pfl h TRP 31 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 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 0.87 0.26 0.00 0.00 -3.56 0.00 0.00 178.44 176.01 1pfl n ALA 32 N -2.27 0.00 -3.13 1.49 0.00 -0.76 -4.97 120.51 110.87 1pfl n ALA 32 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1pfl n ALA 32 Cb 0.41 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 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 1.86 -0.45 0.00 0.00 -1.26 -2.00 121.76 119.90 1pfl s ALA 33 Ca 0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 51.96 50.79 1pfl s ALA 33 Cb 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 23.12 22.31 1pfl s ALA 33 CO 0.00 0.27 2.26 0.28 0.00 0.00 0.00 175.76 178.57 1pfl n VAL 34 N 3.41 0.12 -2.48 0.00 0.31 -0.69 -4.76 118.33 114.24 1pfl n VAL 34 Ca -0.19 -0.24 -0.36 0.00 -0.01 0.00 0.00 64.34 63.53 1pfl n VAL 34 Cb 0.53 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 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 6.68 4.02 0.00 5.55 0.04 -1.26 -3.99 135.00 146.03 1pfl s PRO 35 Ca 1.13 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1pfl s PRO 35 Cb -0.93 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1pfl s PRO 35 CO 0.49 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.67 1pfl n GLY 36 N 0.28 1.41 0.00 0.56 0.00 -1.26 -5.02 105.19 101.16 1pfl n GLY 36 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 0.00 1.61 4.01 -1.26 -5.08 118.16 117.45 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 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 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 0.00 0.00 -0.17 -0.18 -1.04 -1.26 -4.98 114.28 106.65 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 -0.01 0.05 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.48 -0.06 -1.42 -1.00 -1.89 -1.89 116.94 111.16 1pfl h PHE 39 Ca 0.00 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.82 1pfl h PHE 39 Cb 0.00 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.41 1pfl h PHE 39 CO 0.00 0.24 0.19 -0.24 -1.61 0.00 0.00 178.31 176.90 1pfl h VAL 40 N 0.51 0.15 -0.20 -0.55 3.04 -1.86 0.17 116.25 117.52 1pfl h VAL 40 Ca 0.22 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.86 1pfl h VAL 40 Cb 0.12 0.82 -0.03 0.00 -2.01 0.00 0.00 31.29 30.19 1pfl h VAL 40 CO -0.15 0.00 0.06 0.59 -1.01 0.00 0.00 177.57 177.06 1pfl n ASN 41 N -3.24 2.61 -4.69 3.17 4.13 -0.71 -4.77 115.26 111.77 1pfl n ASN 41 Ca -0.01 -2.32 -0.42 0.00 1.68 0.00 0.00 54.58 53.51 1pfl n ASN 41 Cb 0.27 -0.57 -0.03 0.00 -1.54 0.00 0.00 39.78 37.92 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 -1.28 3.98 0.48 2.41 1.01 0.59 -4.48 121.20 123.91 1pfl s ILE 42 Ca 0.15 1.32 0.04 0.00 0.00 0.00 0.00 60.65 62.16 1pfl s ILE 42 Cb 0.12 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.78 1pfl s ILE 42 CO 0.04 -0.01 0.33 0.35 0.00 0.00 0.00 174.94 175.65 1pfl n THR 43 N 4.70 0.00 0.96 2.92 -2.24 -1.26 -4.68 114.28 114.68 1pfl n THR 43 Ca 0.12 -1.96 0.08 0.00 -2.27 0.00 0.00 64.05 60.02 1pfl n THR 43 Cb 0.45 -0.03 0.45 0.00 -2.10 0.00 0.00 70.33 69.10 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 -1.59 0.48 -0.02 -0.78 -0.04 -1.26 -1.77 135.00 130.01 1pfl n PRO 44 Ca -0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1pfl n PRO 44 Cb 0.56 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.19 0.55 0.00 -1.97 0.17 119.26 120.77 1pfl h ALA 45 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pfl h ALA 45 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pfl h ALA 45 CO 0.00 0.05 0.13 1.05 0.00 0.00 0.00 179.25 180.48 1pfl h GLU 46 N -0.39 0.24 0.00 0.00 9.09 -1.76 0.68 114.58 122.44 1pfl h GLU 46 Ca 0.00 -0.01 -0.14 0.00 0.05 0.00 0.00 59.36 59.25 1pfl h GLU 46 Cb 0.05 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.07 1pfl h GLU 46 CO 0.00 0.16 -0.74 0.28 0.05 0.00 0.00 179.01 178.76 1pfl h VAL 47 N 0.25 1.07 -0.08 -1.06 2.07 -1.49 -2.38 116.25 114.63 1pfl h VAL 47 Ca 0.07 -2.55 0.02 0.00 0.82 0.00 0.00 66.70 65.06 1pfl h VAL 47 Cb -0.01 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1pfl h VAL 47 CO -0.02 0.61 0.06 1.23 0.02 0.00 0.00 177.57 179.48 1pfl h GLY 48 N 3.38 0.00 0.27 2.17 0.00 0.18 0.16 103.07 109.22 1pfl h GLY 48 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.94 1pfl h GLY 48 CO 0.08 0.00 -2.24 1.55 0.00 0.00 0.00 176.54 175.93 1pfl n VAL 49 N -4.27 1.53 0.41 4.60 3.14 -1.09 -0.34 118.33 122.31 1pfl n VAL 49 Ca -0.01 -0.72 0.09 0.00 -2.96 0.00 0.00 64.34 60.74 1pfl n VAL 49 Cb 0.17 -1.09 0.40 0.00 -1.06 0.00 0.00 33.84 32.26 1pfl n VAL 49 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1pfl n LEU 50 N -3.09 0.36 0.00 6.55 4.77 -0.90 -4.24 117.00 120.45 1pfl n LEU 50 Ca -0.34 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1pfl n LEU 50 Cb 1.07 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1pfl n LEU 50 CO 0.38 -0.45 0.00 1.33 -1.33 0.00 0.00 177.39 177.32 1pfl n VAL 51 N -1.90 0.00 -1.61 4.08 0.24 0.01 -5.04 118.33 114.11 1pfl n VAL 51 Ca 0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.91 1pfl n VAL 51 Cb 0.19 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 1pfl n VAL 51 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1pfl s GLY 52 N -0.90 0.31 0.51 7.63 0.00 0.53 -4.81 107.32 110.60 1pfl s GLY 52 Ca 0.00 0.60 0.23 0.00 0.00 0.00 0.00 44.72 45.55 1pfl s GLY 52 CO 0.00 3.86 1.98 0.07 0.00 0.00 0.00 173.10 179.02 1pfl h LYS 53 N 15.98 0.09 -4.21 2.90 5.09 -1.92 -3.13 116.57 131.37 1pfl h LYS 53 Ca -0.37 -0.01 -0.73 0.00 0.09 0.00 0.00 60.65 59.63 1pfl h LYS 53 Cb 1.24 -0.02 -0.12 0.00 0.10 0.00 0.00 32.23 33.43 1pfl h LYS 53 CO 1.00 0.06 2.15 -3.47 -2.09 0.00 0.00 179.45 177.11 1pfl n ASP 54 N -4.40 4.82 -2.67 7.07 -0.08 -1.26 -4.22 116.55 115.81 1pfl n ASP 54 Ca 0.10 -2.99 -0.05 0.00 -1.51 0.00 0.00 54.79 50.34 1pfl n ASP 54 Cb 0.58 -1.58 0.04 0.00 2.34 0.00 0.00 41.12 42.50 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 5.37 0.48 0.02 -0.67 0.63 -1.18 -5.01 116.66 116.31 1pfl n ARG 55 Ca 0.43 -1.06 0.07 0.00 -0.92 0.00 0.00 57.85 56.38 1pfl n ARG 55 Cb 0.40 -0.10 0.32 0.00 0.45 0.00 0.00 32.46 33.52 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 -0.34 0.11 0.14 6.15 2.88 -1.26 -3.13 113.62 118.17 1pfl n SER 56 Ca -0.16 0.53 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 1pfl n SER 56 Cb 0.72 -0.55 -0.08 0.00 -0.75 0.00 0.00 64.21 63.55 1pfl n SER 56 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1pfl h SER 57 N 0.00 -0.33 -1.38 -3.46 4.64 -1.96 -3.21 113.55 107.86 1pfl h SER 57 Ca 0.00 -0.20 0.40 0.00 -0.47 0.00 0.00 61.79 61.52 1pfl h SER 57 Cb 0.24 0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 1pfl h SER 57 CO 0.00 0.07 1.24 2.22 -0.87 0.00 0.00 176.83 179.48 1pfl n PHE 58 N -5.10 0.00 0.03 4.77 1.16 -1.18 -1.41 117.46 115.73 1pfl n PHE 58 Ca -0.09 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.50 1pfl n PHE 58 Cb 0.26 -0.35 0.07 0.00 -1.61 0.00 0.00 39.48 37.86 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1pfl n TYR 59 N -3.43 0.08 0.00 2.97 4.01 -1.21 -0.72 117.16 118.86 1pfl n TYR 59 Ca 0.31 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 58.09 1pfl n TYR 59 Cb 1.65 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 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 -1.59 0.00 -0.09 -0.72 0.24 -0.50 -4.77 118.33 110.90 1pfl n VAL 60 Ca -0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1pfl n VAL 60 Cb 0.01 -0.66 -0.12 0.00 -1.47 0.00 0.00 33.84 31.60 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 0.03 -3.07 -1.34 7.08 -1.52 -3.46 115.58 113.30 1pfl h ASN 61 Ca 0.00 -0.60 0.00 0.00 -3.08 0.00 0.00 56.30 52.62 1pfl h ASN 61 Cb 0.82 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 1pfl h ASN 61 CO 0.00 1.46 0.00 0.61 -2.08 0.00 0.00 177.43 177.42 1pfl n GLY 62 N 1.49 4.34 0.00 9.14 0.00 0.10 -4.17 105.19 116.08 1pfl n GLY 62 Ca -0.29 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 0.24 -4.58 117.00 114.78 1pfl n LEU 63 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 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 -0.17 0.38 0.42 -1.33 0.00 0.00 177.39 176.68 1pfl s THR 64 N 0.00 0.00 -0.27 -5.08 -4.23 -1.26 -2.33 115.64 102.47 1pfl s THR 64 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1pfl s THR 64 Cb 0.00 -1.00 0.09 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 1.51 1.27 -0.61 4.79 0.05 -0.85 -4.36 118.68 120.49 1pfl s LEU 65 Ca -0.09 -1.27 0.00 0.00 0.05 0.00 0.00 54.13 52.82 1pfl s LEU 65 Cb -0.05 -0.58 0.00 0.00 -2.05 0.00 0.00 46.19 43.51 1pfl s LEU 65 CO -0.18 -0.40 0.00 0.61 -0.55 0.00 0.00 176.35 175.83 1pfl n GLY 66 N 5.06 0.45 0.87 -3.48 0.00 -1.25 -2.69 105.19 104.15 1pfl n GLY 66 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.55 0.78 3.13 -0.02 0.00 -1.26 -4.88 105.19 101.40 1pfl n GLY 67 Ca -0.07 0.00 -0.36 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 -0.60 2.07 -0.04 1.61 2.00 -1.10 -5.06 119.66 118.54 1pfl s GLN 68 Ca 0.00 -1.75 -0.30 0.00 -2.00 0.00 0.00 55.36 51.32 1pfl s GLN 68 Cb 0.00 -3.55 -0.05 0.00 0.80 0.00 0.00 33.01 30.21 1pfl s GLN 68 CO 0.00 -1.02 1.57 -1.59 -0.50 0.00 0.00 175.29 173.75 1pfl s LYS 69 N 1.16 4.21 -0.04 1.67 -2.85 -1.26 -2.01 119.74 120.62 1pfl s LYS 69 Ca 0.07 2.11 0.05 0.00 -1.00 0.00 0.00 55.97 57.20 1pfl s LYS 69 Cb -0.22 -3.84 -0.02 0.00 -2.06 0.00 0.00 37.83 31.68 1pfl s LYS 69 CO -0.04 -0.77 -0.20 0.00 0.10 0.00 0.00 175.35 174.45 1pfl s SER 71 N -0.60 6.32 0.15 0.00 1.04 -0.67 0.79 113.70 120.72 1pfl s SER 71 Ca 0.09 0.20 -0.34 0.00 0.48 0.00 0.00 55.95 56.38 1pfl s SER 71 Cb -0.11 -2.25 -0.15 0.00 0.10 0.00 0.00 66.02 63.61 1pfl s SER 71 CO 0.00 -0.33 1.34 0.52 0.98 0.00 0.00 173.24 175.75 1pfl n VAL 72 N 5.25 0.41 -3.37 5.02 0.31 -1.26 -1.77 118.33 122.93 1pfl n VAL 72 Ca -0.06 -0.10 -0.26 0.00 -0.01 0.00 0.00 64.34 63.91 1pfl n VAL 72 Cb 0.50 -1.05 -0.08 0.00 -0.91 0.00 0.00 33.84 32.30 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 2.27 1.41 0.00 2.52 -0.00 0.36 -4.84 119.36 121.08 1pfl n ILE 73 Ca 0.16 -4.84 0.00 0.00 -0.00 0.00 0.00 62.75 58.07 1pfl n ILE 73 Cb 0.24 -2.06 0.00 0.00 -0.00 0.00 0.00 39.64 37.83 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 1.07 0.00 -2.74 0.38 1.74 -1.26 -3.46 116.66 112.39 1pfl n ARG 74 Ca 0.27 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.92 1pfl n ARG 74 Cb 0.44 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.85 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 0.00 6.77 -0.00 0.55 -1.08 -1.26 -3.10 116.67 118.54 1pfl s ASP 75 Ca 0.00 0.76 0.01 0.00 -0.52 0.00 0.00 52.55 52.80 1pfl s ASP 75 Cb 0.00 -2.49 0.01 0.00 -1.46 0.00 0.00 42.92 38.97 1pfl s ASP 75 CO 0.00 -0.87 0.85 -1.20 0.52 0.00 0.00 175.17 174.47 1pfl n SER 76 N 6.82 0.10 -0.12 -0.34 7.64 -0.30 -4.88 113.62 122.54 1pfl n SER 76 Ca 0.09 -1.72 0.27 0.00 1.01 0.00 0.00 58.87 58.52 1pfl n SER 76 Cb 0.48 -0.14 0.58 0.00 -1.01 0.00 0.00 64.21 64.12 1pfl n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1pfl h LEU 77 N 0.00 0.00 -9.04 -3.43 5.85 -1.63 0.49 115.31 107.55 1pfl h LEU 77 Ca 0.00 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.10 1pfl h LEU 77 Cb 1.25 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.13 1pfl h LEU 77 CO 0.00 0.00 -0.46 -0.76 -0.34 0.00 0.00 178.44 176.88 1pfl s LEU 78 N -6.94 4.09 -0.33 2.25 1.43 -1.26 -4.09 118.68 113.83 1pfl s LEU 78 Ca -0.03 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1pfl s LEU 78 Cb 0.15 -2.17 -0.11 0.00 0.03 0.00 0.00 46.19 44.09 1pfl s LEU 78 CO 0.53 0.01 1.32 0.00 0.23 0.00 0.00 176.35 178.44 1pfl n GLN 79 N 4.56 0.03 -1.17 1.70 10.64 -1.26 -4.08 117.38 127.80 1pfl n GLN 79 Ca -0.14 -0.61 -0.20 0.00 -1.83 0.00 0.00 57.00 54.22 1pfl n GLN 79 Cb 0.52 -2.04 0.20 0.00 -0.86 0.00 0.00 30.24 28.06 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 9.52 3.79 0.00 2.61 2.03 -1.26 -4.72 116.55 128.52 1pfl n ASP 80 Ca 0.17 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.91 1pfl n ASP 80 Cb 0.45 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.02 0.99 2.11 0.27 0.00 -1.26 -4.94 105.19 101.34 1pfl n GLY 81 Ca 0.55 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.92 0.00 -0.60 1.61 4.71 -1.26 -5.01 120.64 118.16 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 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.48 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 -3.30 0.00 -3.94 -0.32 -1.74 0.17 -4.89 117.46 103.44 1pfl n PHE 83 Ca 0.00 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.57 1pfl n PHE 83 Cb 0.00 -1.55 -0.05 0.00 1.52 0.00 0.00 39.48 39.40 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 -1.78 6.23 -0.03 5.98 1.04 -1.15 -1.82 113.70 122.17 1pfl s SER 84 Ca 0.00 0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 1pfl s SER 84 Cb 0.00 -1.91 0.03 0.00 0.10 0.00 0.00 66.02 64.24 1pfl s SER 84 CO 0.00 0.23 0.06 -0.32 0.98 0.00 0.00 173.24 174.18 1pfl s MET 85 N -2.12 -0.02 -1.18 4.02 1.75 -0.16 -1.15 119.30 120.43 1pfl s MET 85 Ca 0.29 0.26 -0.11 0.00 -1.25 0.00 0.00 55.69 54.89 1pfl s MET 85 Cb -0.13 -0.28 0.22 0.00 2.84 0.00 0.00 34.83 37.48 1pfl s MET 85 CO 0.21 -0.20 1.44 -0.25 -0.65 0.00 0.00 175.02 175.57 1pfl n ASP 86 N 4.41 5.42 -4.59 1.11 8.00 -1.18 -1.27 116.55 128.46 1pfl n ASP 86 Ca -0.23 -3.07 -0.41 0.00 0.71 0.00 0.00 54.79 51.79 1pfl n ASP 86 Cb 0.50 -1.47 -0.08 0.00 -0.02 0.00 0.00 41.12 40.06 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 -0.03 4.19 -0.02 0.64 -0.00 -0.62 0.13 118.68 122.97 1pfl s LEU 87 Ca 0.38 0.26 0.07 0.00 -0.00 0.00 0.00 54.13 54.83 1pfl s LEU 87 Cb -0.02 -2.65 -0.02 0.00 -0.00 0.00 0.00 46.19 43.51 1pfl s LEU 87 CO -0.01 -0.40 -0.22 0.00 -0.00 0.00 0.00 176.35 175.72 1pfl s ARG 88 N 2.40 1.89 -0.20 1.48 1.70 -0.73 -1.59 118.95 123.89 1pfl s ARG 88 Ca 0.21 -0.79 -0.29 0.00 -0.47 0.00 0.00 55.73 54.38 1pfl s ARG 88 Cb -0.15 -1.78 -0.07 0.00 -0.57 0.00 0.00 34.95 32.39 1pfl s ARG 88 CO 0.12 0.45 2.18 0.25 -1.08 0.00 0.00 175.30 177.21 1pfl n THR 89 N 2.64 0.38 -3.62 4.99 -2.24 0.23 -1.67 114.28 114.99 1pfl n THR 89 Ca -0.16 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 60.89 1pfl n THR 89 Cb 0.52 -2.39 -0.05 0.00 -2.10 0.00 0.00 70.33 66.31 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 6.05 3.71 0.43 -0.78 -0.14 -1.26 -1.80 119.74 125.95 1pfl s LYS 90 Ca 1.00 0.09 0.02 0.00 -1.36 0.00 0.00 55.97 55.73 1pfl s LYS 90 Cb -0.43 -2.97 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1pfl s LYS 90 CO 0.38 0.55 0.63 0.45 -0.76 0.00 0.00 175.35 176.61 1pfl s SER 91 N -1.90 5.79 -0.07 2.83 0.15 -1.26 -4.92 113.70 114.31 1pfl s SER 91 Ca 0.34 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 57.10 1pfl s SER 91 Cb -0.13 -1.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.86 1pfl s SER 91 CO 0.19 -0.70 -0.03 0.42 1.20 0.00 0.00 173.24 174.32 1pfl s THR 92 N -2.48 0.60 0.00 6.45 -4.23 -1.26 -4.87 115.64 109.85 1pfl s THR 92 Ca 0.49 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1pfl s THR 92 Cb -0.10 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.06 1pfl s THR 92 CO 0.36 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 1pfl n GLY 93 N 4.77 2.10 1.42 3.99 0.00 -1.26 -3.31 105.19 112.90 1pfl n GLY 93 Ca -0.13 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.80 1pfl n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 94 N 0.00 0.97 3.86 -0.02 0.00 -1.26 -5.11 105.19 103.62 1pfl n GLY 94 Ca 0.00 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.01 2.48 -0.08 4.61 0.00 -1.21 -5.04 121.76 122.51 1pfl s ALA 95 Ca 0.31 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 1pfl s ALA 95 Cb 0.36 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1pfl s ALA 95 CO -0.16 -1.65 0.50 -1.25 0.00 0.00 0.00 175.76 173.20 1pfl s PRO 96 N -5.38 4.28 0.30 0.00 0.04 -1.26 -4.67 135.00 128.31 1pfl s PRO 96 Ca 0.61 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1pfl s PRO 96 Cb -0.12 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1pfl s PRO 96 CO 0.52 0.27 0.50 0.95 0.04 0.00 0.00 177.00 179.27 1pfl s THR 97 N 0.24 5.13 0.07 1.26 -4.23 -1.26 -4.53 115.64 112.32 1pfl s THR 97 Ca 0.27 -0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 60.23 1pfl s THR 97 Cb -0.16 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 69.87 1pfl s THR 97 CO 0.12 -0.43 0.27 -0.36 -0.54 0.00 0.00 174.62 173.68 1pfl s PHE 98 N -2.16 -0.02 0.22 3.99 0.08 -0.74 -3.77 117.98 115.57 1pfl s PHE 98 Ca 0.40 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 57.22 1pfl s PHE 98 Cb -0.10 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.36 1pfl s PHE 98 CO 0.33 -0.54 0.00 -0.80 -0.10 0.00 0.00 175.22 174.11 1pfl s ASN 99 N -2.46 1.62 -0.18 1.36 -0.87 -1.20 0.78 114.94 113.99 1pfl s ASN 99 Ca -0.00 -1.21 -0.15 0.00 -1.57 0.00 0.00 52.86 49.93 1pfl s ASN 99 Cb 0.01 0.05 0.05 0.00 -0.02 0.00 0.00 41.25 41.34 1pfl s ASN 99 CO -0.07 -0.54 0.46 -0.69 -2.57 0.00 0.00 177.10 173.69 1pfl s VAL 100 N -3.50 -0.01 -0.15 1.60 1.01 -0.62 -2.21 120.40 116.53 1pfl s VAL 100 Ca 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1pfl s VAL 100 Cb 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1pfl s VAL 100 CO 0.08 0.01 -0.08 -0.89 0.00 0.00 0.00 175.10 174.21 1pfl s THR 101 N 0.56 3.47 -0.17 3.92 2.01 -0.32 -1.60 115.64 123.52 1pfl s THR 101 Ca -0.03 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1pfl s THR 101 Cb -0.04 -2.50 0.01 0.00 0.01 0.00 0.00 72.50 69.98 1pfl s THR 101 CO -0.03 0.50 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.52 1pfl s VAL 102 N 0.40 2.16 0.11 3.82 1.01 -0.39 0.11 120.40 127.62 1pfl s VAL 102 Ca -0.07 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1pfl s VAL 102 Cb -0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1pfl s VAL 102 CO 0.04 0.54 -0.06 0.42 0.00 0.00 0.00 175.10 176.03 1pfl s THR 103 N 1.09 3.58 0.01 3.92 -4.23 0.17 -0.99 115.64 119.18 1pfl s THR 103 Ca -0.00 -1.21 0.03 0.00 -1.18 0.00 0.00 61.69 59.32 1pfl s THR 103 Cb -0.14 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 1pfl s THR 103 CO -0.08 0.09 -0.08 -0.75 -0.54 0.00 0.00 174.62 173.26 1pfl s LYS 104 N -2.31 0.63 0.00 3.99 2.47 -0.76 -0.17 119.74 123.60 1pfl s LYS 104 Ca 0.23 -0.41 0.00 0.00 -1.56 0.00 0.00 55.97 54.23 1pfl s LYS 104 Cb -0.11 -0.58 0.00 0.00 -1.46 0.00 0.00 37.83 35.68 1pfl s LYS 104 CO 0.15 0.15 0.00 0.25 0.16 0.00 0.00 175.35 176.07 1pfl n THR 105 N 2.53 0.00 0.04 3.43 -2.24 -0.88 -4.77 114.28 112.39 1pfl n THR 105 Ca -0.15 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1pfl n THR 105 Cb 0.57 0.00 -0.08 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 0.56 -0.57 3.42 -0.08 -1.16 -4.52 116.55 114.21 1pfl n ASP 106 Ca 0.00 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1pfl n ASP 106 Cb 0.00 0.83 0.00 0.00 2.34 0.00 0.00 41.12 44.29 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 -2.63 0.00 -3.96 -0.67 5.02 -1.15 -5.11 118.16 109.67 1pfl n LYS 107 Ca -0.06 -0.94 -0.08 0.00 -2.02 0.00 0.00 58.31 55.21 1pfl n LYS 107 Cb 0.68 -0.39 -0.08 0.00 -0.02 0.00 0.00 35.03 35.21 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 0.15 -0.43 -0.18 -4.23 -1.26 -4.54 115.64 105.16 1pfl s THR 108 Ca 0.02 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1pfl s THR 108 Cb 0.03 -1.50 0.13 0.00 1.34 0.00 0.00 72.50 72.49 1pfl s THR 108 CO -0.01 -0.69 0.22 -0.22 -0.54 0.00 0.00 174.62 173.38 1pfl s LEU 109 N -2.90 2.67 0.24 4.79 0.20 -0.46 -2.08 118.68 121.14 1pfl s LEU 109 Ca 0.08 -2.52 -0.19 0.00 0.69 0.00 0.00 54.13 52.19 1pfl s LEU 109 Cb 0.06 -1.03 -0.08 0.00 -0.43 0.00 0.00 46.19 44.71 1pfl s LEU 109 CO -0.08 -0.28 0.74 -0.69 -0.29 0.00 0.00 176.35 175.74 1pfl s VAL 110 N 0.48 4.56 0.10 1.68 1.01 0.76 -0.85 120.40 128.14 1pfl s VAL 110 Ca 0.17 1.27 0.04 0.00 0.00 0.00 0.00 61.98 63.46 1pfl s VAL 110 Cb -0.24 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1pfl s VAL 110 CO -0.02 0.14 -0.11 -0.76 0.00 0.00 0.00 175.10 174.35 1pfl s LEU 111 N -2.14 2.40 -0.25 3.92 1.43 0.36 -0.66 118.68 123.74 1pfl s LEU 111 Ca 0.45 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1pfl s LEU 111 Cb -0.16 -0.39 0.08 0.00 0.03 0.00 0.00 46.19 45.75 1pfl s LEU 111 CO 0.21 -0.22 0.03 -0.22 0.23 0.00 0.00 176.35 176.38 1pfl s LEU 112 N -2.42 2.18 -0.05 1.79 1.98 0.12 -1.87 118.68 120.40 1pfl s LEU 112 Ca 0.06 -1.28 -0.08 0.00 -2.89 0.00 0.00 54.13 49.94 1pfl s LEU 112 Cb -0.04 -0.93 -0.04 0.00 0.66 0.00 0.00 46.19 45.84 1pfl s LEU 112 CO 0.01 -0.33 0.23 -0.32 -1.89 0.00 0.00 176.35 174.05 1pfl s MET 113 N 1.58 3.56 -0.30 1.98 -2.45 -0.36 -1.18 119.30 122.13 1pfl s MET 113 Ca 0.02 -0.04 -0.19 0.00 -1.25 0.00 0.00 55.69 54.23 1pfl s MET 113 Cb -0.18 -3.15 0.20 0.00 1.25 0.00 0.00 34.83 32.95 1pfl s MET 113 CO -0.13 0.72 1.28 0.20 1.05 0.00 0.00 175.02 178.13 1pfl s GLY 114 N -1.33 0.32 -0.30 2.11 0.00 -0.94 -1.25 107.32 105.93 1pfl s GLY 114 Ca 0.21 3.67 -0.10 0.00 0.00 0.00 0.00 44.72 48.51 1pfl s GLY 114 CO 0.11 3.29 0.78 0.54 0.00 0.00 0.00 173.10 177.82 1pfl s LYS 115 N 1.92 0.46 -0.61 2.90 3.01 -1.21 -3.27 119.74 122.94 1pfl s LYS 115 Ca -0.01 1.06 -0.01 0.00 -1.01 0.00 0.00 55.97 56.00 1pfl s LYS 115 Cb -0.01 0.63 0.16 0.00 -1.01 0.00 0.00 37.83 37.59 1pfl s LYS 115 CO -0.15 -0.25 0.41 -2.00 0.51 0.00 0.00 175.35 173.87 1pfl s GLU 116 N 2.76 2.45 0.00 1.68 2.12 -1.26 -4.65 118.70 121.80 1pfl s GLU 116 Ca 0.01 -2.59 0.00 0.00 0.36 0.00 0.00 54.97 52.74 1pfl s GLU 116 Cb -0.11 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1pfl s GLU 116 CO -0.18 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 173.78 1pfl n GLY 117 N 3.33 0.00 1.10 -1.50 0.00 -1.25 -4.76 105.19 102.12 1pfl n GLY 117 Ca 0.08 0.00 -0.16 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 -1.30 0.54 0.00 1.61 3.14 -1.26 -4.90 118.33 116.16 1pfl n VAL 118 Ca 0.00 -0.14 -0.13 0.00 -2.96 0.00 0.00 64.34 61.12 1pfl n VAL 118 Cb 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.69 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 0.43 0.01 0.00 1.45 2.76 -1.93 -3.41 115.15 114.45 1pfl h HIS 119 Ca -0.10 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1pfl h HIS 119 Cb 0.46 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1pfl h HIS 119 CO 0.14 0.33 0.00 0.41 -1.30 0.00 0.00 177.93 177.51 1pfl n GLY 120 N -0.22 1.14 0.05 5.26 0.00 -1.26 -4.98 105.19 105.18 1pfl n GLY 120 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1pfl n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pfl n GLY 121 N -1.67 -0.29 0.14 -0.02 0.00 -1.26 -3.90 105.19 98.20 1pfl n GLY 121 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 0.61 -0.76 0.99 4.07 -1.99 -1.94 115.31 116.30 1pfl h LEU 122 Ca -0.24 -0.58 -0.11 0.00 0.08 0.00 0.00 57.88 57.03 1pfl h LEU 122 Cb 1.45 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 1pfl h LEU 122 CO -0.01 1.42 -0.25 0.40 -1.08 0.00 0.00 178.44 178.92 1pfl h ILE 123 N 0.18 1.27 0.00 1.22 2.04 -1.93 -0.66 117.51 119.63 1pfl h ILE 123 Ca -0.14 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 1pfl h ILE 123 Cb 1.86 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1pfl h ILE 123 CO 0.21 0.44 -0.13 -1.13 0.00 0.00 0.00 178.15 177.54 1pfl h ASN 124 N 0.59 0.00 0.41 1.72 -1.24 -1.64 0.10 115.58 115.52 1pfl h ASN 124 Ca 0.08 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.78 1pfl h ASN 124 Cb 0.73 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.81 1pfl h ASN 124 CO 0.06 0.13 -1.36 0.07 -1.29 0.00 0.00 177.43 175.03 1pfl h LYS 125 N 0.00 0.43 0.00 6.67 5.09 -0.36 -2.72 116.57 125.69 1pfl h LYS 125 Ca -0.00 -0.73 0.00 0.00 0.09 0.00 0.00 60.65 60.01 1pfl h LYS 125 Cb 0.28 0.27 0.00 0.00 0.10 0.00 0.00 32.23 32.88 1pfl h LYS 125 CO 0.02 1.34 0.00 0.87 -2.09 0.00 0.00 179.45 179.59 1pfl h LYS 126 N 0.13 0.00 0.05 0.07 6.56 -0.45 -2.63 116.57 120.30 1pfl h LYS 126 Ca -0.20 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.09 1pfl h LYS 126 Cb 2.07 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 33.70 1pfl h LYS 126 CO 0.24 0.00 -1.64 0.00 -2.06 0.00 0.00 179.45 176.00 1pfl h TYR 128 N 0.03 0.05 0.17 0.00 5.03 -1.33 -1.63 116.97 119.29 1pfl h TYR 128 Ca -0.27 -0.01 -0.33 0.00 2.58 0.00 0.00 58.73 60.70 1pfl h TYR 128 Cb 1.99 -0.01 0.01 0.00 1.55 0.00 0.00 36.73 40.26 1pfl h TYR 128 CO 0.03 0.36 -1.64 0.93 -1.32 0.00 0.00 178.16 176.52 1pfl h GLU 129 N 0.04 0.36 -0.59 1.82 5.08 -1.52 -0.96 114.58 118.82 1pfl h GLU 129 Ca 0.00 -0.61 0.04 0.00 -1.00 0.00 0.00 59.36 57.79 1pfl h GLU 129 Cb 0.58 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 1pfl h GLU 129 CO 0.04 1.25 0.34 1.98 -1.00 0.00 0.00 179.01 181.63 1pfl h MET 130 N 0.10 0.64 0.00 2.33 4.05 -1.20 -0.50 114.93 120.36 1pfl h MET 130 Ca -0.29 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1pfl h MET 130 Cb 2.08 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.73 1pfl h MET 130 CO 0.18 0.42 -0.02 0.00 0.23 0.00 0.00 176.91 177.73 1pfl h ALA 131 N 1.28 0.99 -0.48 0.39 0.00 -1.40 -3.11 119.26 116.93 1pfl h ALA 131 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1pfl h ALA 131 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1pfl h ALA 131 CO -0.13 0.00 0.32 0.77 0.00 0.00 0.00 179.25 180.21 1pfl h SER 132 N 0.00 0.38 0.24 0.00 0.02 0.36 0.23 113.55 114.78 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 0.99 -0.08 0.03 0.00 0.14 0.00 0.00 62.40 63.48 1pfl h SER 132 CO 0.00 0.25 -1.50 -0.74 -1.14 0.00 0.00 176.83 173.70 1pfl h HIS 133 N 0.43 0.93 0.00 3.45 2.76 -1.45 -2.31 115.15 118.96 1pfl h HIS 133 Ca 0.21 -0.68 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1pfl h HIS 133 Cb 0.27 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1pfl h HIS 133 CO -0.00 1.58 0.00 1.28 -1.30 0.00 0.00 177.93 179.49 1pfl n LEU 134 N -3.72 0.23 -0.03 0.26 4.32 -0.36 0.15 117.00 117.85 1pfl n LEU 134 Ca -0.18 0.57 -0.18 0.00 -0.02 0.00 0.00 56.01 56.20 1pfl n LEU 134 Cb 1.09 -0.55 -0.14 0.00 -1.62 0.00 0.00 43.42 42.20 1pfl n LEU 134 CO 0.59 -0.45 -0.89 0.54 -1.22 0.00 0.00 177.39 175.95 1pfl n ARG 135 N -1.77 0.72 0.00 3.23 5.12 0.68 -3.57 116.66 121.07 1pfl n ARG 135 Ca 0.02 0.23 0.15 0.00 -1.93 0.00 0.00 57.85 56.32 1pfl n ARG 135 Cb 0.14 -1.67 0.81 0.00 -1.16 0.00 0.00 32.46 30.57 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 -3.34 0.77 0.20 5.56 1.74 -0.59 -2.95 116.66 118.05 1pfl n ARG 136 Ca -0.33 -0.08 0.12 0.00 -0.77 0.00 0.00 57.85 56.79 1pfl n ARG 136 Cb 1.04 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 31.13 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 0.19 0.00 -0.83 0.55 4.64 0.14 -3.48 113.55 114.76 1pfl h SER 137 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1pfl h SER 137 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1pfl h SER 137 CO 0.00 0.01 -0.17 1.67 -0.87 0.00 0.00 176.83 177.48 1pfl n GLN 138 N -3.06 -0.55 0.00 4.77 7.27 -1.15 -4.94 117.38 119.72 1pfl n GLN 138 Ca 0.03 0.45 0.14 0.00 0.07 0.00 0.00 57.00 57.69 1pfl n GLN 138 Cb 0.54 -4.32 0.44 0.00 2.41 0.00 0.00 30.24 29.31 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79