#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 3.58 0.24 0.00 0.00 -1.26 -4.94 105.19 102.81 1pfl n GLY 2 Ca 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 2.95 0.19 0.00 1.61 -0.00 -2.00 0.10 115.95 118.80 1pfl h TRP 3 Ca 0.07 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 59.00 1pfl h TRP 3 Cb 0.95 0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 30.13 1pfl h TRP 3 CO 0.57 -0.06 -0.01 -0.91 -0.00 0.00 0.00 178.44 178.04 1pfl h ASN 4 N 0.24 0.00 -0.03 -3.49 -0.26 -1.92 -0.45 115.58 109.67 1pfl h ASN 4 Ca 0.34 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.91 1pfl h ASN 4 Cb 0.53 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.79 1pfl h ASN 4 CO -0.45 0.01 -0.59 0.00 -1.06 0.00 0.00 177.43 175.34 1pfl h ALA 5 N 1.99 0.60 0.00 -0.83 0.00 -1.21 0.63 119.26 120.45 1pfl h ALA 5 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1pfl h ALA 5 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pfl h ALA 5 CO 0.00 0.69 0.00 0.66 0.00 0.00 0.00 179.25 180.61 1pfl n TYR 6 N -3.95 0.36 0.04 0.00 4.01 -0.25 -0.54 117.16 116.82 1pfl n TYR 6 Ca -0.04 0.12 0.02 0.00 -0.16 0.00 0.00 57.90 57.84 1pfl n TYR 6 Cb 0.63 -0.69 -0.07 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.81 1.04 0.32 -0.72 2.08 -0.63 -3.25 119.36 116.40 1pfl n ILE 7 Ca 0.05 -0.66 0.15 0.00 0.56 0.00 0.00 62.75 62.84 1pfl n ILE 7 Cb 0.29 -0.63 0.65 0.00 -0.75 0.00 0.00 39.64 39.20 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 0.32 4.38 5.19 0.28 -2.71 116.42 123.88 1pfl h ASP 8 Ca -0.14 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1pfl h ASP 8 Cb 1.47 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.94 1pfl h ASP 8 CO 0.03 0.00 -0.50 -1.13 -3.12 0.00 0.00 179.24 174.52 1pfl h ASN 9 N 0.00 -1.45 -0.95 6.45 -1.24 -1.34 0.50 115.58 117.55 1pfl h ASN 9 Ca 0.00 0.13 0.24 0.00 0.71 0.00 0.00 56.30 57.38 1pfl h ASN 9 Cb 0.31 0.51 -0.13 0.00 0.73 0.00 0.00 38.32 39.74 1pfl h ASN 9 CO 0.00 -0.60 0.49 -0.07 -1.29 0.00 0.00 177.43 175.96 1pfl h LEU 10 N -0.87 0.49 -0.04 0.34 -0.00 -1.68 0.61 115.31 114.17 1pfl h LEU 10 Ca -0.04 0.15 -0.25 0.00 -0.00 0.00 0.00 57.88 57.74 1pfl h LEU 10 Cb 0.80 0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.56 1pfl h LEU 10 CO -0.16 0.03 -1.09 0.24 -0.00 0.00 0.00 178.44 177.47 1pfl h MET 11 N 0.47 0.38 -0.00 1.13 2.86 -1.31 -3.21 114.93 115.24 1pfl h MET 11 Ca 0.61 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1pfl h MET 11 Cb 1.17 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1pfl h MET 11 CO -0.51 1.18 -0.08 0.00 1.06 0.00 0.00 176.91 178.55 1pfl n ALA 12 N -2.55 2.73 0.96 6.32 0.00 0.17 -4.36 120.51 123.78 1pfl n ALA 12 Ca -0.08 -0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.19 1pfl n ALA 12 Cb 0.92 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.82 2.49 -1.02 0.00 5.68 0.18 -4.98 116.55 118.08 1pfl n ASP 13 Ca 0.16 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 1pfl n ASP 13 Cb 0.26 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 1.34 -0.05 0.00 6.12 0.00 -1.26 -4.33 105.19 107.01 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 -1.01 0.00 -1.95 2.61 -1.04 -1.26 -4.95 114.28 106.68 1pfl n THR 15 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1pfl n THR 15 Cb 0.05 1.02 0.10 0.00 -1.82 0.00 0.00 70.33 69.67 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 -2.40 0.00 -3.85 0.00 0.00 -0.28 -3.34 117.38 107.51 1pfl n GLN 17 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.92 1pfl n GLN 17 Cb 0.34 -0.03 -0.06 0.00 0.00 0.00 0.00 30.24 30.49 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 -2.36 0.05 -3.54 1.69 2.03 -0.84 -4.93 116.55 108.65 1pfl n ASP 18 Ca 0.00 -2.76 -0.00 0.00 0.52 0.00 0.00 54.79 52.55 1pfl n ASP 18 Cb 0.00 1.16 -0.05 0.00 -0.72 0.00 0.00 41.12 41.51 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 -3.02 -2.52 -0.19 -1.67 0.00 -1.26 -0.85 121.76 112.24 1pfl s ALA 19 Ca 0.27 2.10 -0.04 0.00 0.00 0.00 0.00 51.96 54.29 1pfl s ALA 19 Cb 0.01 -1.89 0.06 0.00 0.00 0.00 0.00 23.12 21.30 1pfl s ALA 19 CO 0.19 -0.58 0.06 0.00 0.00 0.00 0.00 175.76 175.43 1pfl s ALA 20 N 1.72 0.75 -0.20 0.00 0.00 0.05 -2.04 121.76 122.04 1pfl s ALA 20 Ca -0.06 -0.56 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 1pfl s ALA 20 Cb -0.04 -1.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 1pfl s ALA 20 CO -0.15 -1.20 0.96 0.42 0.00 0.00 0.00 175.76 175.78 1pfl s ILE 21 N 1.98 4.77 -0.11 0.00 1.01 -0.92 -0.16 121.20 127.77 1pfl s ILE 21 Ca 0.01 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 62.53 1pfl s ILE 21 Cb -0.17 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.09 1pfl s ILE 21 CO -0.10 -0.08 -0.06 -0.69 0.00 0.00 0.00 174.94 174.00 1pfl s VAL 22 N 2.69 0.93 -1.17 2.92 1.01 -0.33 -0.35 120.40 126.10 1pfl s VAL 22 Ca 0.42 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 1pfl s VAL 22 Cb -0.16 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1pfl s VAL 22 CO 0.10 0.33 1.89 -0.83 0.00 0.00 0.00 175.10 176.59 1pfl s GLY 23 N 1.74 0.43 0.00 4.51 0.00 0.68 -1.33 107.32 113.35 1pfl s GLY 23 Ca 0.05 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.55 1pfl s GLY 23 CO -0.08 3.40 0.56 1.58 0.00 0.00 0.00 173.10 178.56 1pfl n TYR 24 N 13.28 0.00 0.00 1.90 4.11 -1.26 -1.62 117.16 133.57 1pfl n TYR 24 Ca 0.45 -0.13 0.00 0.00 -0.00 0.00 0.00 57.90 58.21 1pfl n TYR 24 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.68 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 0.23 1.69 -0.40 -3.48 4.01 -1.26 -4.68 118.16 114.27 1pfl n LYS 25 Ca 0.00 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.71 1pfl n LYS 25 Cb 0.28 0.00 -0.08 0.00 -0.51 0.00 0.00 35.03 34.72 1pfl n LYS 25 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1pfl n ASP 26 N 0.00 -0.97 -4.44 4.39 5.75 -1.26 -3.94 116.55 116.08 1pfl n ASP 26 Ca 0.00 1.71 -0.34 0.00 -0.01 0.00 0.00 54.79 56.15 1pfl n ASP 26 Cb 0.00 -0.24 -0.13 0.00 -1.03 0.00 0.00 41.12 39.72 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 -5.46 4.59 0.40 -1.12 1.04 -1.26 -5.06 113.70 106.82 1pfl s SER 27 Ca -0.12 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 55.89 1pfl s SER 27 Cb 0.12 -1.75 -0.11 0.00 0.10 0.00 0.00 66.02 64.38 1pfl s SER 27 CO 0.61 0.13 0.91 -2.16 0.98 0.00 0.00 173.24 173.71 1pfl s PRO 28 N 0.61 4.22 0.20 4.02 0.04 -1.25 -4.67 135.00 138.17 1pfl s PRO 28 Ca -0.03 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.92 1pfl s PRO 28 Cb -0.15 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.12 1pfl s PRO 28 CO 0.03 0.03 0.48 -1.54 0.04 0.00 0.00 177.00 176.04 1pfl s SER 29 N -2.14 -0.16 -0.55 6.66 1.04 -0.64 -4.81 113.70 113.10 1pfl s SER 29 Ca 0.59 -0.66 -0.18 0.00 0.48 0.00 0.00 55.95 56.19 1pfl s SER 29 Cb -0.10 0.56 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1pfl s SER 29 CO 0.15 -1.06 0.59 -0.69 0.98 0.00 0.00 173.24 173.21 1pfl s VAL 30 N -3.93 5.00 0.26 5.02 1.01 -1.26 -0.23 120.40 126.26 1pfl s VAL 30 Ca 0.14 -1.09 0.21 0.00 0.00 0.00 0.00 61.98 61.24 1pfl s VAL 30 Cb -0.00 -4.37 0.19 0.00 0.00 0.00 0.00 36.38 32.19 1pfl s VAL 30 CO 0.01 -0.94 1.85 -0.50 0.00 0.00 0.00 175.10 175.53 1pfl h TRP 31 N 9.02 0.00 0.00 5.22 4.06 -1.01 -3.42 115.95 129.82 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 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 1pfl h TRP 31 CO 0.77 0.28 0.00 0.00 -3.56 0.00 0.00 178.44 175.93 1pfl n ALA 32 N -2.30 0.00 -2.94 1.49 0.00 -0.59 -4.95 120.51 111.21 1pfl n ALA 32 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1pfl n ALA 32 Cb 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 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 2.58 -0.64 0.00 0.00 -1.26 -2.17 121.76 120.27 1pfl s ALA 33 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 1pfl s ALA 33 Cb 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 23.12 21.87 1pfl s ALA 33 CO 0.00 0.33 2.45 0.28 0.00 0.00 0.00 175.76 178.82 1pfl n VAL 34 N 3.24 0.02 -2.39 0.00 0.31 -0.87 -4.75 118.33 113.89 1pfl n VAL 34 Ca -0.18 -0.32 -0.40 0.00 -0.01 0.00 0.00 64.34 63.42 1pfl n VAL 34 Cb 0.53 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.89 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 7.90 4.57 0.00 5.55 0.04 -1.26 -3.67 135.00 148.13 1pfl s PRO 35 Ca 1.16 1.90 0.00 0.00 0.04 0.00 0.00 61.00 64.10 1pfl s PRO 35 Cb -0.82 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1pfl s PRO 35 CO 0.43 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.99 1pfl n GLY 36 N 1.15 2.05 0.00 0.56 0.00 -1.26 -5.02 105.19 102.67 1pfl n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1pfl n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfl n LYS 37 N -0.26 0.00 0.00 1.61 4.76 -1.24 -5.07 118.16 117.95 1pfl n LYS 37 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1pfl n LYS 37 Cb 0.00 -0.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.04 1pfl n LYS 37 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1pfl n THR 38 N -0.51 0.00 -0.28 -0.18 -1.04 -1.26 -4.99 114.28 106.02 1pfl n THR 38 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1pfl n THR 38 Cb 0.00 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 68.71 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 1.06 0.00 -1.42 -1.00 -1.87 -1.86 116.94 111.85 1pfl h PHE 39 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1pfl h PHE 39 Cb 0.00 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.20 1pfl h PHE 39 CO 0.00 0.65 0.04 -0.24 -1.61 0.00 0.00 178.31 177.15 1pfl h VAL 40 N 1.13 0.00 -0.26 -0.55 3.04 -1.85 0.15 116.25 117.91 1pfl h VAL 40 Ca 0.33 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.96 1pfl h VAL 40 Cb -0.06 0.92 -0.04 0.00 -2.01 0.00 0.00 31.29 30.10 1pfl h VAL 40 CO -0.08 0.00 0.08 0.59 -1.01 0.00 0.00 177.57 177.14 1pfl n ASN 41 N -2.99 2.93 -4.73 3.17 3.02 -0.70 -4.78 115.26 111.17 1pfl n ASN 41 Ca -0.03 -2.42 -0.41 0.00 -0.03 0.00 0.00 54.58 51.68 1pfl n ASN 41 Cb 0.10 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 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 -1.51 3.30 0.45 2.41 1.01 0.54 -4.49 121.20 122.90 1pfl s ILE 42 Ca 0.20 1.05 0.03 0.00 0.00 0.00 0.00 60.65 61.93 1pfl s ILE 42 Cb 0.16 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1pfl s ILE 42 CO 0.05 0.15 0.05 0.42 0.00 0.00 0.00 174.94 175.61 1pfl s THR 43 N 0.21 1.10 -2.00 2.92 -4.23 -1.26 -4.76 115.64 107.62 1pfl s THR 43 Ca 0.57 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.21 1pfl s THR 43 Cb -0.36 -2.40 0.38 0.00 1.34 0.00 0.00 72.50 71.47 1pfl s THR 43 CO 0.37 0.00 1.25 -0.81 -0.54 0.00 0.00 174.62 174.89 1pfl n PRO 44 N -1.06 0.57 -0.04 3.99 -0.04 -1.26 -1.41 135.00 135.75 1pfl n PRO 44 Ca -0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 1pfl n PRO 44 Cb 0.66 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.75 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 2.88 0.00 -0.06 0.55 0.00 -1.96 0.70 119.26 121.37 1pfl h ALA 45 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1pfl h ALA 45 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pfl h ALA 45 CO 0.00 0.22 -0.12 1.05 0.00 0.00 0.00 179.25 180.40 1pfl h GLU 46 N -0.60 0.09 0.00 0.00 -0.00 -1.83 0.60 114.58 112.83 1pfl h GLU 46 Ca 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.36 59.27 1pfl h GLU 46 Cb 0.22 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.95 1pfl h GLU 46 CO 0.00 0.22 -0.41 0.28 -0.00 0.00 0.00 179.01 179.11 1pfl h VAL 47 N 0.09 0.57 -0.14 -1.06 2.07 -1.39 -2.41 116.25 113.99 1pfl h VAL 47 Ca 0.02 -1.82 0.04 0.00 0.82 0.00 0.00 66.70 65.76 1pfl h VAL 47 Cb 0.28 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1pfl h VAL 47 CO 0.02 0.33 0.11 1.23 0.02 0.00 0.00 177.57 179.28 1pfl h GLY 48 N 3.67 0.00 0.30 2.17 0.00 0.15 0.41 103.07 109.77 1pfl h GLY 48 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 1pfl h GLY 48 CO 0.04 0.00 -2.24 1.55 0.00 0.00 0.00 176.54 175.89 1pfl n VAL 49 N -4.26 1.61 0.27 4.60 3.14 -1.12 -0.08 118.33 122.49 1pfl n VAL 49 Ca 0.00 -0.63 0.10 0.00 -2.96 0.00 0.00 64.34 60.85 1pfl n VAL 49 Cb 0.23 -1.47 0.47 0.00 -1.06 0.00 0.00 33.84 32.02 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 -3.31 0.51 0.00 6.55 4.32 -0.92 -3.70 117.00 120.45 1pfl n LEU 50 Ca -0.38 0.68 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 1pfl n LEU 50 Cb 1.03 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1pfl n LEU 50 CO 0.35 -0.69 0.00 1.33 -1.22 0.00 0.00 177.39 177.16 1pfl n VAL 51 N -2.12 0.00 -0.94 4.08 0.24 0.10 -5.04 118.33 114.64 1pfl n VAL 51 Ca 0.01 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.97 1pfl n VAL 51 Cb 0.12 0.81 0.10 0.00 -1.47 0.00 0.00 33.84 33.41 1pfl n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pfl n GLY 52 N 0.00 -2.04 0.21 7.63 0.00 0.88 -4.81 105.19 107.07 1pfl n GLY 52 Ca 0.00 -0.65 0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.19 0.00 -5.89 1.61 5.09 -1.94 -3.44 116.57 110.82 1pfl h LYS 53 Ca -0.44 0.00 -0.79 0.00 0.09 0.00 0.00 60.65 59.51 1pfl h LYS 53 Cb 1.30 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.61 1pfl h LYS 53 CO 0.36 0.00 1.08 -3.47 -2.09 0.00 0.00 179.45 175.33 1pfl n ASP 54 N -2.51 0.89 -1.40 7.07 -0.08 -1.26 -4.84 116.55 114.42 1pfl n ASP 54 Ca -0.01 0.84 0.10 0.00 -1.51 0.00 0.00 54.79 54.21 1pfl n ASP 54 Cb 0.08 -0.88 0.33 0.00 2.34 0.00 0.00 41.12 42.99 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 6.17 3.18 0.00 -0.67 0.63 -1.26 -4.85 116.66 119.86 1pfl n ARG 55 Ca 0.46 -2.73 0.00 0.00 -0.92 0.00 0.00 57.85 54.66 1pfl n ARG 55 Cb -0.05 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.17 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 1.31 0.00 0.00 6.15 2.88 -1.26 -5.07 113.62 117.63 1pfl n SER 56 Ca 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1pfl n SER 56 Cb 0.73 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 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 -2.00 0.00 0.08 -3.46 3.41 -1.26 -3.03 113.62 107.36 1pfl n SER 57 Ca 0.00 0.45 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 1pfl n SER 57 Cb 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.64 0.00 0.06 7.33 1.16 -1.26 -1.75 117.46 122.36 1pfl n PHE 58 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1pfl n PHE 58 Cb 0.00 -0.10 0.03 0.00 -1.61 0.00 0.00 39.48 37.80 1pfl n PHE 58 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 1pfl n TYR 59 N -2.53 0.00 0.00 2.97 4.01 -1.17 -1.97 117.16 118.48 1pfl n TYR 59 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1pfl n TYR 59 Cb 1.05 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 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 -1.18 0.00 0.04 -0.72 0.24 -0.72 -4.49 118.33 111.50 1pfl n VAL 60 Ca 0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.24 1pfl n VAL 60 Cb 0.01 -0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 31.44 1pfl n VAL 60 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pfl h ASN 61 N 0.00 0.00 -4.58 -1.34 -1.07 -1.66 -3.49 115.58 103.45 1pfl h ASN 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1pfl h ASN 61 Cb 0.85 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.10 1pfl h ASN 61 CO 0.00 0.97 0.00 0.61 0.07 0.00 0.00 177.43 179.08 1pfl n GLY 62 N 1.41 2.57 0.00 9.14 0.00 -0.83 -4.88 105.19 112.60 1pfl n GLY 62 Ca -0.06 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.66 0.99 4.77 -0.37 -4.77 117.00 113.97 1pfl n LEU 63 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 1pfl n LEU 63 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1pfl n LEU 63 CO 0.00 0.00 0.29 0.42 -1.33 0.00 0.00 177.39 176.77 1pfl s THR 64 N 0.21 -0.00 -0.33 -5.08 -4.23 -1.26 -2.27 115.64 102.67 1pfl s THR 64 Ca 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1pfl s THR 64 Cb 0.00 -0.88 0.11 0.00 1.34 0.00 0.00 72.50 73.07 1pfl s THR 64 CO 0.00 0.01 0.15 -1.48 -0.54 0.00 0.00 174.62 172.76 1pfl s LEU 65 N 0.91 1.47 -0.48 4.79 0.05 -0.74 -4.55 118.68 120.13 1pfl s LEU 65 Ca -0.05 -1.78 0.00 0.00 0.05 0.00 0.00 54.13 52.36 1pfl s LEU 65 Cb -0.05 -0.62 0.00 0.00 -2.05 0.00 0.00 46.19 43.47 1pfl s LEU 65 CO -0.08 -0.38 0.00 0.61 -0.55 0.00 0.00 176.35 175.95 1pfl n GLY 66 N 4.63 0.15 1.15 -3.48 0.00 -1.25 -2.73 105.19 103.65 1pfl n GLY 66 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.03 0.75 3.32 -0.02 0.00 -1.26 -4.81 105.19 102.13 1pfl n GLY 67 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.56 2.77 -0.31 1.61 2.00 -1.10 -5.04 119.66 119.03 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 -3.91 -0.03 0.00 0.80 0.00 0.00 33.01 29.87 1pfl s GLN 68 CO 0.00 -0.96 1.90 0.21 -0.50 0.00 0.00 175.29 175.94 1pfl s LYS 69 N 1.52 3.27 0.11 1.67 2.20 -1.26 -1.79 119.74 125.46 1pfl s LYS 69 Ca 0.03 1.56 0.01 0.00 -0.36 0.00 0.00 55.97 57.22 1pfl s LYS 69 Cb -0.23 -4.24 0.01 0.00 -1.51 0.00 0.00 37.83 31.86 1pfl s LYS 69 CO 0.04 -1.93 0.12 0.00 -0.36 0.00 0.00 175.35 173.22 1pfl s SER 71 N -1.66 0.59 -0.11 0.00 1.04 0.14 -1.24 113.70 112.46 1pfl s SER 71 Ca 0.09 0.28 -0.40 0.00 0.48 0.00 0.00 55.95 56.40 1pfl s SER 71 Cb -0.01 0.77 -0.18 0.00 0.10 0.00 0.00 66.02 66.70 1pfl s SER 71 CO 0.06 -0.28 1.38 0.52 0.98 0.00 0.00 173.24 175.90 1pfl n VAL 72 N 5.35 0.06 -3.43 5.02 0.31 -1.26 -1.79 118.33 122.58 1pfl n VAL 72 Ca -0.05 -0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 1pfl n VAL 72 Cb 0.50 -0.59 -0.09 0.00 -0.91 0.00 0.00 33.84 32.74 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 2.86 -0.27 -0.29 2.52 5.41 0.33 -4.77 119.36 125.15 1pfl n ILE 73 Ca 0.23 -3.99 0.00 0.00 1.00 0.00 0.00 62.75 59.99 1pfl n ILE 73 Cb 0.10 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 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 2.15 0.00 -2.22 0.38 5.12 -1.26 -3.44 116.66 117.38 1pfl n ARG 74 Ca 0.26 0.10 -0.37 0.00 -1.93 0.00 0.00 57.85 55.91 1pfl n ARG 74 Cb 0.46 -0.27 -0.03 0.00 -1.16 0.00 0.00 32.46 31.46 1pfl n ARG 74 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1pfl s ASP 75 N -0.16 5.59 -0.36 0.55 2.15 -1.26 -3.07 116.67 120.11 1pfl s ASP 75 Ca 0.00 -0.26 0.06 0.00 0.43 0.00 0.00 52.55 52.78 1pfl s ASP 75 Cb 0.00 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.57 1pfl s ASP 75 CO 0.00 -2.23 1.52 -1.20 -0.17 0.00 0.00 175.17 173.09 1pfl n SER 76 N 11.77 3.98 0.16 -0.34 7.64 0.25 -4.79 113.62 132.28 1pfl n SER 76 Ca 0.22 -3.78 -0.13 0.00 1.01 0.00 0.00 58.87 56.18 1pfl n SER 76 Cb 0.50 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 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 1.45 -0.35 -4.15 -3.43 5.85 -1.66 0.26 115.31 113.28 1pfl h LEU 77 Ca 0.35 -0.16 -0.62 0.00 0.84 0.00 0.00 57.88 58.28 1pfl h LEU 77 Cb 1.56 0.09 -0.37 0.00 0.37 0.00 0.00 40.66 42.31 1pfl h LEU 77 CO 0.72 -0.01 -0.08 0.00 -0.34 0.00 0.00 178.44 178.73 1pfl n LEU 78 N -5.14 6.01 -3.22 2.25 -0.00 -1.26 -3.84 117.00 111.79 1pfl n LEU 78 Ca -0.10 -4.73 -0.33 0.00 -0.00 0.00 0.00 56.01 50.85 1pfl n LEU 78 Cb 0.26 -0.64 -0.01 0.00 -0.00 0.00 0.00 43.42 43.02 1pfl n LEU 78 CO 0.31 1.91 0.68 0.00 -0.00 0.00 0.00 177.39 180.30 1pfl n GLN 79 N -0.70 4.15 0.00 1.47 10.64 -1.26 -4.98 117.38 126.71 1pfl n GLN 79 Ca 0.50 -4.78 0.00 0.00 -1.83 0.00 0.00 57.00 50.89 1pfl n GLN 79 Cb 0.72 -2.33 0.00 0.00 -0.86 0.00 0.00 30.24 27.76 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 -0.18 0.00 0.00 2.61 -0.08 -1.26 -3.25 116.55 114.39 1pfl n ASP 80 Ca 0.38 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1pfl n ASP 80 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1pfl n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pfl n GLY 81 N 0.00 1.93 0.92 0.27 0.00 -1.26 -4.88 105.19 102.16 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 -0.96 0.00 -0.23 1.61 4.71 -1.20 -5.02 120.64 119.54 1pfl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1pfl n GLU 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1pfl n GLU 82 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1pfl n PHE 83 N -2.06 0.00 -3.13 -0.32 -1.74 0.58 -4.85 117.46 105.93 1pfl n PHE 83 Ca 0.00 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.50 1pfl n PHE 83 Cb 0.00 -0.87 -0.05 0.00 1.52 0.00 0.00 39.48 40.08 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 -0.54 7.05 -0.07 5.98 1.04 0.59 -2.02 113.70 125.73 1pfl s SER 84 Ca 0.00 1.25 0.02 0.00 0.48 0.00 0.00 55.95 57.70 1pfl s SER 84 Cb 0.00 -2.40 0.01 0.00 0.10 0.00 0.00 66.02 63.74 1pfl s SER 84 CO 0.00 0.07 -0.12 -0.32 0.98 0.00 0.00 173.24 173.85 1pfl s MET 85 N -0.13 1.68 -1.16 4.02 1.75 -0.40 -0.58 119.30 124.48 1pfl s MET 85 Ca 0.33 -0.40 -0.11 0.00 -1.25 0.00 0.00 55.69 54.26 1pfl s MET 85 Cb -0.19 -1.39 0.24 0.00 2.84 0.00 0.00 34.83 36.33 1pfl s MET 85 CO 0.19 0.02 1.25 -0.25 -0.65 0.00 0.00 175.02 175.58 1pfl n ASP 86 N 3.83 5.41 -4.48 1.11 9.92 -1.18 -1.54 116.55 129.62 1pfl n ASP 86 Ca -0.23 -3.02 -0.43 0.00 -0.53 0.00 0.00 54.79 50.58 1pfl n ASP 86 Cb 0.52 -1.45 -0.07 0.00 -0.64 0.00 0.00 41.12 39.47 1pfl n ASP 86 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1pfl s LEU 87 N -0.18 4.75 0.12 0.64 -0.00 -0.57 0.12 118.68 123.56 1pfl s LEU 87 Ca 0.36 -0.63 0.05 0.00 -0.00 0.00 0.00 54.13 53.91 1pfl s LEU 87 Cb -0.07 -2.54 -0.04 0.00 -0.00 0.00 0.00 46.19 43.54 1pfl s LEU 87 CO -0.05 -0.78 0.03 0.00 -0.00 0.00 0.00 176.35 175.55 1pfl s ARG 88 N 2.60 2.59 -0.79 1.48 1.70 -0.74 -1.46 118.95 124.33 1pfl s ARG 88 Ca 0.17 -0.90 -0.25 0.00 -0.47 0.00 0.00 55.73 54.28 1pfl s ARG 88 Cb -0.17 -2.52 -0.02 0.00 -0.57 0.00 0.00 34.95 31.67 1pfl s ARG 88 CO 0.15 0.51 1.80 0.95 -1.08 0.00 0.00 175.30 177.63 1pfl s THR 89 N -1.49 3.49 -0.32 4.99 -4.23 0.48 0.28 115.64 118.85 1pfl s THR 89 Ca 0.27 -0.12 -0.22 0.00 -1.18 0.00 0.00 61.69 60.44 1pfl s THR 89 Cb -0.11 -4.19 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 1pfl s THR 89 CO 0.19 -1.13 0.71 -0.54 -0.54 0.00 0.00 174.62 173.32 1pfl s LYS 90 N 6.67 3.89 0.00 3.99 1.02 -1.26 -2.11 119.74 131.94 1pfl s LYS 90 Ca 0.63 0.40 0.00 0.00 0.02 0.00 0.00 55.97 57.02 1pfl s LYS 90 Cb -0.08 -3.74 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1pfl s LYS 90 CO 0.08 -0.66 0.00 0.45 -0.92 0.00 0.00 175.35 174.30 1pfl n SER 91 N 6.09 0.00 -2.35 2.83 2.88 -1.26 -5.02 113.62 116.79 1pfl n SER 91 Ca 0.01 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1pfl n SER 91 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 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 -1.26 0.00 -2.40 2.46 -2.24 -1.26 -4.91 114.28 104.67 1pfl n THR 92 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1pfl n THR 92 Cb 0.00 -1.97 -0.03 0.00 -2.10 0.00 0.00 70.33 66.23 1pfl n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1pfl s GLY 93 N -2.32 0.76 0.00 3.38 0.00 -1.26 -3.05 107.32 104.82 1pfl s GLY 93 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1pfl s GLY 93 CO 0.00 2.85 0.00 0.61 0.00 0.00 0.00 173.10 176.56 1pfl n GLY 94 N 5.39 1.89 3.54 0.20 0.00 -1.26 -5.08 105.19 109.88 1pfl n GLY 94 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1pfl n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pfl n ALA 95 N -0.08 -1.98 -2.71 4.61 0.00 -1.17 -4.97 120.51 114.20 1pfl n ALA 95 Ca 0.00 -0.83 -0.39 0.00 0.00 0.00 0.00 53.44 52.22 1pfl n ALA 95 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 1pfl n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pfl s PRO 96 N -4.35 4.32 0.71 0.00 0.04 -1.26 -4.75 135.00 129.71 1pfl s PRO 96 Ca 0.66 0.53 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1pfl s PRO 96 Cb -0.23 -3.47 0.13 0.00 0.04 0.00 0.00 34.50 30.97 1pfl s PRO 96 CO 0.62 0.06 0.97 0.95 0.04 0.00 0.00 177.00 179.65 1pfl s THR 97 N 0.91 2.10 0.30 1.26 -4.23 -1.26 -4.65 115.64 110.07 1pfl s THR 97 Ca 0.28 -0.66 -0.13 0.00 -1.18 0.00 0.00 61.69 60.00 1pfl s THR 97 Cb -0.16 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1pfl s THR 97 CO 0.11 0.00 0.58 -0.36 -0.54 0.00 0.00 174.62 174.42 1pfl s PHE 98 N -3.08 0.37 0.04 3.99 0.08 -0.90 -4.66 117.98 113.82 1pfl s PHE 98 Ca 0.66 -0.79 -0.07 0.00 0.12 0.00 0.00 56.93 56.86 1pfl s PHE 98 Cb -0.05 0.35 -0.01 0.00 -0.57 0.00 0.00 43.02 42.75 1pfl s PHE 98 CO 0.44 -1.19 0.12 -0.80 -0.10 0.00 0.00 175.22 173.69 1pfl s ASN 99 N -3.06 0.15 0.02 1.36 -0.87 -1.19 -0.38 114.94 110.97 1pfl s ASN 99 Ca 0.21 -0.52 0.01 0.00 -1.57 0.00 0.00 52.86 50.99 1pfl s ASN 99 Cb -0.02 0.25 -0.02 0.00 -0.02 0.00 0.00 41.25 41.44 1pfl s ASN 99 CO 0.12 -0.54 -0.05 -0.69 -2.57 0.00 0.00 177.10 173.36 1pfl s VAL 100 N -2.74 0.35 -0.13 1.60 1.01 -0.53 -2.31 120.40 117.65 1pfl s VAL 100 Ca -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1pfl s VAL 100 Cb -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 1pfl s VAL 100 CO -0.05 -0.27 -0.19 -0.89 0.00 0.00 0.00 175.10 173.70 1pfl s THR 101 N -1.01 2.45 -0.26 3.92 2.01 -0.50 -1.52 115.64 120.73 1pfl s THR 101 Ca -0.08 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 1pfl s THR 101 Cb -0.07 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1pfl s THR 101 CO -0.00 0.54 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 1pfl s VAL 102 N 0.60 3.16 -0.32 3.82 1.01 -0.59 -0.85 120.40 127.22 1pfl s VAL 102 Ca -0.10 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 1pfl s VAL 102 Cb -0.16 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1pfl s VAL 102 CO 0.03 0.15 0.10 0.42 0.00 0.00 0.00 175.10 175.81 1pfl s THR 103 N 1.36 3.97 -0.33 3.92 -4.23 -0.57 -1.28 115.64 118.48 1pfl s THR 103 Ca 0.00 -0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 59.52 1pfl s THR 103 Cb -0.17 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 1pfl s THR 103 CO -0.03 -0.05 0.23 -0.75 -0.54 0.00 0.00 174.62 173.48 1pfl s LYS 104 N 1.47 3.54 0.00 3.99 2.47 -0.86 -1.04 119.74 129.32 1pfl s LYS 104 Ca 0.01 -0.61 0.00 0.00 -1.56 0.00 0.00 55.97 53.81 1pfl s LYS 104 Cb -0.18 -3.78 0.00 0.00 -1.46 0.00 0.00 37.83 32.40 1pfl s LYS 104 CO 0.03 -0.41 0.00 0.25 0.16 0.00 0.00 175.35 175.38 1pfl n THR 105 N 5.10 0.00 0.26 3.43 -2.24 -0.72 -4.71 114.28 115.40 1pfl n THR 105 Ca -0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1pfl n THR 105 Cb 0.50 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.50 -0.39 3.42 -0.08 -1.13 -4.50 116.55 114.37 1pfl n ASP 106 Ca 0.00 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1pfl n ASP 106 Cb 0.00 1.09 0.00 0.00 2.34 0.00 0.00 41.12 44.55 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 -2.25 0.00 -3.84 -0.67 5.02 -1.02 -5.09 118.16 110.30 1pfl n LYS 107 Ca -0.01 -0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 55.44 1pfl n LYS 107 Cb 0.51 -0.43 -0.07 0.00 -0.02 0.00 0.00 35.03 35.02 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 0.14 -0.51 -0.18 -4.23 -1.26 -4.67 115.64 104.92 1pfl s THR 108 Ca 0.00 -1.13 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 1pfl s THR 108 Cb 0.00 -1.33 0.15 0.00 1.34 0.00 0.00 72.50 72.65 1pfl s THR 108 CO 0.00 -0.61 0.31 -0.22 -0.54 0.00 0.00 174.62 173.56 1pfl s LEU 109 N -2.86 3.30 0.40 4.79 0.20 -0.44 -1.76 118.68 122.32 1pfl s LEU 109 Ca 0.05 -3.02 -0.23 0.00 0.69 0.00 0.00 54.13 51.62 1pfl s LEU 109 Cb 0.05 -1.21 -0.10 0.00 -0.43 0.00 0.00 46.19 44.50 1pfl s LEU 109 CO -0.11 -0.21 0.99 -0.69 -0.29 0.00 0.00 176.35 176.04 1pfl s VAL 110 N -0.19 4.05 0.02 1.68 1.01 -0.20 -1.19 120.40 125.57 1pfl s VAL 110 Ca 0.21 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.69 1pfl s VAL 110 Cb -0.17 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1pfl s VAL 110 CO -0.06 -0.10 -0.13 -0.76 0.00 0.00 0.00 175.10 174.05 1pfl s LEU 111 N -2.79 2.11 -0.34 3.92 1.02 0.78 -1.52 118.68 121.86 1pfl s LEU 111 Ca 0.59 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 54.38 1pfl s LEU 111 Cb -0.16 -0.61 0.11 0.00 0.02 0.00 0.00 46.19 45.55 1pfl s LEU 111 CO 0.21 0.08 0.14 -0.22 0.02 0.00 0.00 176.35 176.58 1pfl s LEU 112 N -0.77 2.17 0.13 1.79 2.96 -0.03 -0.77 118.68 124.15 1pfl s LEU 112 Ca 0.03 -1.87 -0.16 0.00 -0.22 0.00 0.00 54.13 51.91 1pfl s LEU 112 Cb -0.07 -0.85 -0.07 0.00 0.50 0.00 0.00 46.19 45.71 1pfl s LEU 112 CO 0.00 -0.38 0.57 -0.32 -1.32 0.00 0.00 176.35 174.90 1pfl s MET 113 N 1.34 4.07 -0.28 1.98 -2.45 -0.03 -1.41 119.30 122.51 1pfl s MET 113 Ca 0.12 0.59 -0.24 0.00 -1.25 0.00 0.00 55.69 54.92 1pfl s MET 113 Cb -0.19 -3.02 0.11 0.00 1.25 0.00 0.00 34.83 32.97 1pfl s MET 113 CO -0.18 0.52 0.93 0.20 1.05 0.00 0.00 175.02 177.54 1pfl s GLY 114 N -1.52 -0.27 -0.30 2.11 0.00 -0.98 -1.13 107.32 105.24 1pfl s GLY 114 Ca 0.35 2.53 -0.05 0.00 0.00 0.00 0.00 44.72 47.56 1pfl s GLY 114 CO 0.19 1.90 0.65 0.54 0.00 0.00 0.00 173.10 176.38 1pfl s LYS 115 N 0.43 0.55 -0.54 2.90 1.02 -0.95 -3.14 119.74 120.01 1pfl s LYS 115 Ca 0.01 1.12 0.03 0.00 0.02 0.00 0.00 55.97 57.14 1pfl s LYS 115 Cb -0.05 0.65 0.14 0.00 -0.52 0.00 0.00 37.83 38.04 1pfl s LYS 115 CO -0.06 -0.45 0.29 -2.00 -0.92 0.00 0.00 175.35 172.22 1pfl s GLU 116 N 2.86 2.09 0.00 1.68 -6.30 -1.26 -4.68 118.70 113.09 1pfl s GLU 116 Ca 0.10 -2.58 0.00 0.00 -2.50 0.00 0.00 54.97 49.99 1pfl s GLU 116 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 34.13 30.59 1pfl s GLU 116 CO -0.20 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.37 1pfl n GLY 117 N 3.22 0.00 0.27 -1.50 0.00 -1.26 -4.69 105.19 101.23 1pfl n GLY 117 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.11 0.05 0.02 1.61 3.14 -1.26 -4.94 118.33 115.85 1pfl n VAL 118 Ca 0.00 -0.01 -0.10 0.00 -2.96 0.00 0.00 64.34 61.27 1pfl n VAL 118 Cb 0.04 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.74 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 0.18 -0.15 0.00 1.45 2.76 -1.93 -3.41 115.15 114.05 1pfl h HIS 119 Ca -0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1pfl h HIS 119 Cb 0.11 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1pfl h HIS 119 CO 0.04 0.32 0.00 0.41 -1.30 0.00 0.00 177.93 177.40 1pfl n GLY 120 N 0.86 1.53 0.03 5.26 0.00 -1.26 -4.90 105.19 106.71 1pfl n GLY 120 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.84 -0.18 0.19 -0.02 0.00 -1.26 -4.14 105.19 98.93 1pfl n GLY 121 Ca 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 0.75 -0.99 0.99 4.07 -1.99 -2.23 115.31 115.90 1pfl h LEU 122 Ca -0.16 -0.57 -0.08 0.00 0.08 0.00 0.00 57.88 57.15 1pfl h LEU 122 Cb 1.30 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1pfl h LEU 122 CO -0.01 1.36 -0.10 0.40 -1.08 0.00 0.00 178.44 179.02 1pfl h ILE 123 N 0.35 1.24 0.00 1.22 2.04 -1.92 0.45 117.51 120.89 1pfl h ILE 123 Ca -0.09 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 1pfl h ILE 123 Cb 1.57 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1pfl h ILE 123 CO 0.18 0.35 -0.10 -1.13 0.00 0.00 0.00 178.15 177.45 1pfl h ASN 124 N 0.57 0.00 0.43 1.72 -1.24 -1.66 0.11 115.58 115.50 1pfl h ASN 124 Ca 0.10 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.80 1pfl h ASN 124 Cb 0.51 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.58 1pfl h ASN 124 CO 0.03 0.10 -1.41 0.07 -1.29 0.00 0.00 177.43 174.93 1pfl h LYS 125 N 0.00 0.39 0.00 6.67 5.09 -0.38 -2.88 116.57 125.46 1pfl h LYS 125 Ca -0.00 -0.66 0.00 0.00 0.09 0.00 0.00 60.65 60.08 1pfl h LYS 125 Cb 0.18 0.25 0.00 0.00 0.10 0.00 0.00 32.23 32.76 1pfl h LYS 125 CO 0.01 1.30 0.00 1.63 -2.09 0.00 0.00 179.45 180.31 1pfl n LYS 126 N -3.60 0.16 -0.02 0.07 5.02 -0.18 -2.51 118.16 117.09 1pfl n LYS 126 Ca -0.14 0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1pfl n LYS 126 Cb 1.06 -1.70 -0.14 0.00 -0.02 0.00 0.00 35.03 34.24 1pfl n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pfl h TYR 128 N 0.03 0.28 0.04 0.00 5.03 -1.37 -1.47 116.97 119.50 1pfl h TYR 128 Ca -0.36 -0.01 -0.21 0.00 2.58 0.00 0.00 58.73 60.73 1pfl h TYR 128 Cb 2.03 -0.09 0.02 0.00 1.55 0.00 0.00 36.73 40.25 1pfl h TYR 128 CO 0.03 0.28 -0.85 0.93 -1.32 0.00 0.00 178.16 177.24 1pfl h GLU 129 N 0.27 0.50 -0.57 1.82 5.08 -1.55 0.49 114.58 120.62 1pfl h GLU 129 Ca 0.07 -0.60 0.05 0.00 -1.00 0.00 0.00 59.36 57.88 1pfl h GLU 129 Cb 0.18 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1pfl h GLU 129 CO 0.00 1.23 0.30 1.98 -1.00 0.00 0.00 179.01 181.52 1pfl h MET 130 N 0.04 0.56 0.00 2.33 4.05 -1.21 0.32 114.93 121.03 1pfl h MET 130 Ca -0.12 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1pfl h MET 130 Cb 1.56 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.23 1pfl h MET 130 CO 0.17 0.37 0.00 0.00 0.23 0.00 0.00 176.91 177.68 1pfl h ALA 131 N 1.29 1.00 -0.40 0.39 0.00 -1.34 -3.04 119.26 117.17 1pfl h ALA 131 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pfl h ALA 131 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1pfl h ALA 131 CO -0.16 0.00 0.19 0.66 0.00 0.00 0.00 179.25 179.94 1pfl h SER 132 N 0.00 0.49 0.32 0.00 4.64 0.13 0.45 113.55 119.57 1pfl h SER 132 Ca 0.00 -0.04 -0.30 0.00 -0.47 0.00 0.00 61.79 60.98 1pfl h SER 132 Cb 0.82 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1pfl h SER 132 CO 0.00 0.42 -1.29 -0.74 -0.87 0.00 0.00 176.83 174.35 1pfl h HIS 133 N 0.55 0.84 0.00 4.77 2.76 -1.39 -2.25 115.15 120.43 1pfl h HIS 133 Ca 0.14 -0.57 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1pfl h HIS 133 Cb 0.07 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1pfl h HIS 133 CO 0.00 1.43 0.00 1.28 -1.30 0.00 0.00 177.93 179.34 1pfl n LEU 134 N -3.70 0.32 0.02 0.26 4.32 -0.56 0.96 117.00 118.62 1pfl n LEU 134 Ca -0.13 0.60 -0.21 0.00 -0.02 0.00 0.00 56.01 56.25 1pfl n LEU 134 Cb 1.02 -0.58 -0.14 0.00 -1.62 0.00 0.00 43.42 42.11 1pfl n LEU 134 CO 0.57 -0.50 -0.37 0.03 -1.22 0.00 0.00 177.39 175.91 1pfl h ARG 135 N 0.00 0.25 0.00 3.23 3.08 -0.01 -3.20 114.38 117.74 1pfl h ARG 135 Ca 0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1pfl h ARG 135 Cb 0.22 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1pfl h ARG 135 CO 0.00 1.21 0.00 0.54 -1.07 0.00 0.00 179.97 180.65 1pfl n ARG 136 N -3.94 0.45 0.18 0.04 5.12 -0.52 -2.52 116.66 115.48 1pfl n ARG 136 Ca -0.24 0.03 0.08 0.00 -1.93 0.00 0.00 57.85 55.80 1pfl n ARG 136 Cb 0.89 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.80 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 -0.33 0.55 4.64 0.60 -3.48 113.55 115.54 1pfl h SER 137 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1pfl h SER 137 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1pfl h SER 137 CO 0.00 0.20 -0.10 1.67 -0.87 0.00 0.00 176.83 177.74 1pfl n GLN 138 N -3.13 -0.35 0.00 4.77 7.27 -1.05 -5.07 117.38 119.83 1pfl n GLN 138 Ca 0.03 0.58 0.15 0.00 0.07 0.00 0.00 57.00 57.83 1pfl n GLN 138 Cb 0.62 -4.30 0.63 0.00 2.41 0.00 0.00 30.24 29.60 1pfl n GLN 138 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79