#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw n GLY 2 N 0.00 -0.47 0.31 3.03 0.00 -1.26 -4.84 105.19 101.96 2kpw n GLY 2 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2kpw n GLY 2 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2kpw h HIS 3 N -1.03 1.03 -2.48 1.61 6.17 -2.08 -3.41 115.15 114.96 2kpw h HIS 3 Ca -0.45 0.02 -0.53 0.00 0.71 0.00 0.00 60.37 60.13 2kpw h HIS 3 Cb 1.30 -0.35 0.04 0.00 2.52 0.00 0.00 27.41 30.92 2kpw h HIS 3 CO 0.68 0.65 1.15 -2.39 0.71 0.00 0.00 177.93 178.72 2kpw n HIS 4 N -4.51 2.62 -2.57 5.26 -0.00 -1.26 -5.00 115.22 109.75 2kpw n HIS 4 Ca 0.08 -0.21 -0.25 0.00 -0.00 0.00 0.00 57.72 57.34 2kpw n HIS 4 Cb 0.02 -2.75 0.03 0.00 -0.00 0.00 0.00 29.99 27.28 2kpw n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 5 N 3.14 3.22 -0.35 -1.40 3.76 -1.26 -4.73 115.29 117.66 2kpw s HIS 5 Ca 0.83 0.50 -0.07 0.00 -0.15 0.00 0.00 55.06 56.17 2kpw s HIS 5 Cb -0.46 -2.62 0.01 0.00 1.11 0.00 0.00 32.58 30.61 2kpw s HIS 5 CO 0.38 -0.70 0.26 0.72 -0.85 0.00 0.00 174.74 174.55 2kpw n HIS 6 N -2.43 -3.68 -3.05 1.40 -0.00 -1.26 -4.96 115.22 101.23 2kpw n HIS 6 Ca 0.04 1.57 -0.40 0.00 -0.00 0.00 0.00 57.72 58.93 2kpw n HIS 6 Cb 0.58 -3.98 -0.05 0.00 -0.00 0.00 0.00 29.99 26.53 2kpw n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpw s HIS 7 N -2.02 3.53 -0.05 4.41 2.46 -1.26 -5.06 115.29 117.29 2kpw s HIS 7 Ca 0.11 1.19 0.02 0.00 0.47 0.00 0.00 55.06 56.85 2kpw s HIS 7 Cb -0.03 -2.81 0.01 0.00 -0.13 0.00 0.00 32.58 29.62 2kpw s HIS 7 CO 0.76 0.02 -0.11 -1.01 -2.47 0.00 0.00 174.74 171.93 2kpw s HIS 8 N 1.09 1.25 -0.90 3.88 4.02 -1.26 -5.11 115.29 118.27 2kpw s HIS 8 Ca 0.36 -0.42 -0.13 0.00 1.02 0.00 0.00 55.06 55.88 2kpw s HIS 8 Cb -0.17 -0.93 0.22 0.00 -1.02 0.00 0.00 32.58 30.68 2kpw s HIS 8 CO 0.16 -0.22 0.87 -1.12 1.02 0.00 0.00 174.74 175.45 2kpw s SER 9 N 0.59 6.87 -0.21 1.40 0.01 -1.26 -4.96 113.70 116.14 2kpw s SER 9 Ca -0.12 -2.82 -0.04 0.00 1.31 0.00 0.00 55.95 54.29 2kpw s SER 9 Cb -0.14 -2.23 0.10 0.00 0.21 0.00 0.00 66.02 63.96 2kpw s SER 9 CO 0.02 -0.56 0.22 -1.00 0.41 0.00 0.00 173.24 172.34 2kpw s HIS 10 N 0.11 -0.26 -0.48 2.43 4.02 -1.26 -5.12 115.29 114.72 2kpw s HIS 10 Ca 0.22 0.15 -0.19 0.00 1.02 0.00 0.00 55.06 56.26 2kpw s HIS 10 Cb -0.09 -0.39 0.05 0.00 -1.02 0.00 0.00 32.58 31.12 2kpw s HIS 10 CO -0.09 -0.63 0.60 -1.64 1.02 0.00 0.00 174.74 174.00 2kpw s MET 11 N 2.32 3.13 -0.48 1.40 1.00 -1.26 -5.02 119.30 120.39 2kpw s MET 11 Ca 0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 55.69 54.91 2kpw s MET 11 Cb -0.16 -4.06 0.13 0.00 0.00 0.00 0.00 34.83 30.74 2kpw s MET 11 CO -0.14 -1.14 0.28 0.95 0.00 0.00 0.00 175.02 174.97 2kpw s THR 12 N 2.56 3.46 -1.57 2.05 -4.23 -1.26 -5.01 115.64 111.64 2kpw s THR 12 Ca 0.15 -2.31 -0.10 0.00 -1.18 0.00 0.00 61.69 58.25 2kpw s THR 12 Cb -0.18 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.27 2kpw s THR 12 CO 0.13 -0.75 2.79 0.61 -0.54 0.00 0.00 174.62 176.86 2kpw n GLY 13 N 4.29 4.36 2.02 3.99 0.00 -1.26 -4.59 105.19 113.99 2kpw n GLY 13 Ca 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 2kpw n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kpw n ASN 14 N 3.85 5.09 -4.30 1.61 5.03 -1.26 -4.82 115.26 120.45 2kpw n ASN 14 Ca 0.73 -3.17 -0.43 0.00 0.87 0.00 0.00 54.58 52.58 2kpw n ASN 14 Cb 0.26 -0.74 -0.07 0.00 -1.02 0.00 0.00 39.78 38.20 2kpw n ASN 14 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2kpw s VAL 15 N -2.96 4.82 0.10 2.41 1.01 -1.26 -1.70 120.40 122.82 2kpw s VAL 15 Ca 0.56 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2kpw s VAL 15 Cb 0.44 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2kpw s VAL 15 CO 0.14 -0.70 0.07 0.00 0.00 0.00 0.00 175.10 174.62 2kpw s ILE 17 N -1.45 4.26 -0.06 0.00 1.01 -1.26 -0.22 121.20 123.48 2kpw s ILE 17 Ca 0.29 1.43 -0.15 0.00 0.00 0.00 0.00 60.65 62.22 2kpw s ILE 17 Cb -0.12 -4.25 -0.30 0.00 0.01 0.00 0.00 42.46 37.80 2kpw s ILE 17 CO 0.21 -0.49 0.69 -0.08 0.00 0.00 0.00 174.94 175.28 2kpw h GLU 18 N 8.88 0.33 -2.67 2.79 4.81 -1.35 -3.48 114.58 123.89 2kpw h GLU 18 Ca -0.24 -0.57 -0.10 0.00 -0.13 0.00 0.00 59.36 58.32 2kpw h GLU 18 Cb 1.08 0.21 -0.20 0.00 0.63 0.00 0.00 28.75 30.47 2kpw h GLU 18 CO 1.04 1.27 -0.12 -2.00 -0.73 0.00 0.00 179.01 178.46 2kpw s GLU 19 N -2.51 0.77 -0.11 1.92 2.56 -0.70 -5.04 118.70 115.58 2kpw s GLU 19 Ca -0.16 0.06 0.01 0.00 0.00 0.00 0.00 54.97 54.87 2kpw s GLU 19 Cb 0.04 0.35 0.02 0.00 2.00 0.00 0.00 34.13 36.54 2kpw s GLU 19 CO 0.82 -0.21 -0.13 0.42 -0.56 0.00 0.00 175.26 175.61 2kpw s ILE 20 N -1.07 1.34 0.26 -3.70 1.01 -1.26 -0.59 121.20 117.19 2kpw s ILE 20 Ca -0.11 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 2kpw s ILE 20 Cb -0.03 -1.26 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 2kpw s ILE 20 CO 0.05 0.41 1.02 -0.62 0.00 0.00 0.00 174.94 175.81 2kpw s ASP 21 N 1.25 7.46 0.02 3.58 2.15 -0.96 -4.66 116.67 125.51 2kpw s ASP 21 Ca -0.02 2.11 0.22 0.00 0.43 0.00 0.00 52.55 55.29 2kpw s ASP 21 Cb -0.14 -2.62 -0.24 0.00 -0.30 0.00 0.00 42.92 39.62 2kpw s ASP 21 CO -0.05 0.01 0.62 0.55 -0.17 0.00 0.00 175.17 176.13 2kpw n VAL 22 N 1.33 0.27 0.02 1.11 3.14 -1.26 -4.15 118.33 118.78 2kpw n VAL 22 Ca -0.02 -0.54 -0.04 0.00 -2.96 0.00 0.00 64.34 60.79 2kpw n VAL 22 Cb 0.46 -0.14 0.18 0.00 -1.06 0.00 0.00 33.84 33.28 2kpw n VAL 22 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2kpw h ASP 23 N 0.00 0.48 0.00 6.55 3.58 -1.93 -3.39 116.42 121.72 2kpw h ASP 23 Ca -0.03 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2kpw h ASP 23 Cb 1.08 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2kpw h ASP 23 CO 0.00 0.77 0.00 0.61 -2.88 0.00 0.00 179.24 177.74 2kpw n GLY 24 N -0.27 0.82 0.00 -0.78 0.00 -1.24 -4.26 105.19 99.46 2kpw n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kpw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpw n LYS 25 N 0.00 2.40 -3.60 1.61 5.02 -1.26 -3.82 118.16 118.52 2kpw n LYS 25 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2kpw n LYS 25 Cb 0.00 -0.79 -0.06 0.00 -0.02 0.00 0.00 35.03 34.16 2kpw n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kpw s PHE 26 N -1.42 -0.44 -0.14 2.13 -0.71 -1.26 -1.09 117.98 115.04 2kpw s PHE 26 Ca 0.00 0.62 -0.00 0.00 -1.04 0.00 0.00 56.93 56.51 2kpw s PHE 26 Cb 0.00 0.31 0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2kpw s PHE 26 CO 0.00 -0.58 -0.10 0.42 -1.34 0.00 0.00 175.22 173.62 2kpw s ILE 27 N -1.87 1.31 -0.39 -4.49 1.01 -0.36 -2.27 121.20 114.13 2kpw s ILE 27 Ca -0.08 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 2kpw s ILE 27 Cb -0.01 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2kpw s ILE 27 CO 0.03 0.34 0.26 -0.60 0.00 0.00 0.00 174.94 174.97 2kpw s ARG 28 N 1.58 2.94 0.45 2.79 3.52 0.24 -0.50 118.95 129.98 2kpw s ARG 28 Ca 0.04 -1.03 0.06 0.00 -0.13 0.00 0.00 55.73 54.67 2kpw s ARG 28 Cb -0.14 -3.88 0.01 0.00 -1.56 0.00 0.00 34.95 29.39 2kpw s ARG 28 CO -0.09 -0.72 0.62 -0.51 -0.81 0.00 0.00 175.30 173.79 2kpw s LEU 29 N 1.64 3.57 -0.12 -0.88 1.02 0.02 -0.99 118.68 122.94 2kpw s LEU 29 Ca 0.04 -0.27 -0.13 0.00 0.02 0.00 0.00 54.13 53.79 2kpw s LEU 29 Cb -0.19 -2.74 0.03 0.00 0.02 0.00 0.00 46.19 43.31 2kpw s LEU 29 CO 0.09 -0.84 0.36 -0.75 0.02 0.00 0.00 176.35 175.22 2kpw s LYS 30 N -4.46 0.44 -0.22 1.70 2.20 0.70 -0.43 119.74 119.66 2kpw s LYS 30 Ca 0.55 0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 56.50 2kpw s LYS 30 Cb -0.10 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.38 2kpw s LYS 30 CO 0.35 -0.06 0.14 1.21 -0.36 0.00 0.00 175.35 176.63 2kpw s ASN 31 N 0.06 6.11 -0.02 1.43 2.47 -0.90 -0.83 114.94 123.27 2kpw s ASN 31 Ca -0.01 0.15 0.09 0.00 0.42 0.00 0.00 52.86 53.50 2kpw s ASN 31 Cb -0.03 -2.09 0.25 0.00 -1.45 0.00 0.00 41.25 37.93 2kpw s ASN 31 CO 0.01 0.11 1.20 1.07 -3.72 0.00 0.00 177.10 175.77 2kpw n THR 32 N 3.99 1.12 -2.06 -5.21 5.66 -0.69 -0.38 114.28 116.72 2kpw n THR 32 Ca -0.15 -1.10 -0.38 0.00 -3.05 0.00 0.00 64.05 59.37 2kpw n THR 32 Cb 0.52 0.43 0.01 0.00 -1.55 0.00 0.00 70.33 69.74 2kpw n THR 32 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kpw s SER 33 N -1.11 5.81 0.50 1.09 0.01 -1.26 -4.83 113.70 113.91 2kpw s SER 33 Ca 0.19 2.50 0.32 0.00 1.31 0.00 0.00 55.95 60.27 2kpw s SER 33 Cb 0.11 -2.62 1.25 0.00 0.21 0.00 0.00 66.02 64.98 2kpw s SER 33 CO 0.11 -1.18 1.93 -0.33 0.41 0.00 0.00 173.24 174.18 2kpw h GLU 34 N 1.84 0.00 -5.66 12.44 5.08 -1.97 -3.36 114.58 122.95 2kpw h GLU 34 Ca -0.50 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.30 2kpw h GLU 34 Cb 1.27 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 2kpw h GLU 34 CO 0.59 0.00 -0.66 -1.14 -1.00 0.00 0.00 179.01 176.80 2kpw s GLN 35 N -3.59 1.71 0.17 2.33 0.74 -1.26 -4.88 119.66 114.89 2kpw s GLN 35 Ca 0.02 -1.90 -0.33 0.00 0.05 0.00 0.00 55.36 53.20 2kpw s GLN 35 Cb 0.09 -1.39 -0.14 0.00 1.10 0.00 0.00 33.01 32.67 2kpw s GLN 35 CO 0.53 0.04 1.54 -0.25 -0.55 0.00 0.00 175.29 176.60 2kpw n ASP 36 N -0.72 3.00 -4.16 6.67 9.92 -1.26 -4.65 116.55 125.35 2kpw n ASP 36 Ca -0.05 1.09 -0.34 0.00 -0.53 0.00 0.00 54.79 54.97 2kpw n ASP 36 Cb 0.64 -1.42 -0.14 0.00 -0.64 0.00 0.00 41.12 39.56 2kpw n ASP 36 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kpw s GLN 37 N 0.66 2.63 -0.02 -1.24 -1.52 -0.00 -4.92 119.66 115.25 2kpw s GLN 37 Ca 0.77 -1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 2kpw s GLN 37 Cb -0.68 -2.98 -0.05 0.00 -0.22 0.00 0.00 33.01 29.08 2kpw s GLN 37 CO 0.40 -0.47 1.32 -2.14 -0.25 0.00 0.00 175.29 174.15 2kpw s PRO 38 N 1.26 4.31 0.66 2.91 0.02 -1.26 -0.64 135.00 142.26 2kpw s PRO 38 Ca -0.03 1.85 0.39 0.00 0.02 0.00 0.00 61.00 63.23 2kpw s PRO 38 Cb -0.18 -3.55 2.13 0.00 0.02 0.00 0.00 34.50 32.92 2kpw s PRO 38 CO -0.04 -0.51 2.23 1.98 -0.33 0.00 0.00 177.00 180.32 2kpw h MET 39 N 7.64 0.00 0.00 5.54 4.05 -1.84 -3.46 114.93 126.86 2kpw h MET 39 Ca -0.37 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2kpw h MET 39 Cb 1.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2kpw h MET 39 CO 0.89 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.44 2kpw n GLY 40 N -1.16 0.59 0.00 1.39 0.00 -1.26 -4.04 105.19 100.71 2kpw n GLY 40 Ca -0.02 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2kpw n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpw n GLY 41 N 0.00 -1.74 3.82 -0.02 0.00 -1.26 -2.03 105.19 103.95 2kpw n GLY 41 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 2kpw n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpw s TRP 42 N 0.00 2.72 -0.30 1.61 0.51 -1.26 -4.50 118.94 117.72 2kpw s TRP 42 Ca 0.00 0.89 -0.06 0.00 -2.12 0.00 0.00 56.10 54.81 2kpw s TRP 42 Cb 0.00 -3.35 0.02 0.00 -0.81 0.00 0.00 33.47 29.33 2kpw s TRP 42 CO 0.00 -2.06 0.07 -2.00 -0.51 0.00 0.00 176.95 172.45 2kpw s GLU 43 N -5.33 2.96 -0.18 4.98 2.12 -0.38 -0.66 118.70 122.21 2kpw s GLU 43 Ca 0.63 -0.94 -0.18 0.00 0.36 0.00 0.00 54.97 54.84 2kpw s GLU 43 Cb -0.14 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2kpw s GLU 43 CO 0.52 -0.49 0.48 1.41 -0.54 0.00 0.00 175.26 176.65 2kpw s MET 44 N 1.46 4.22 -0.29 4.30 -2.45 0.28 -1.63 119.30 125.18 2kpw s MET 44 Ca 0.01 0.38 0.01 0.00 -1.25 0.00 0.00 55.69 54.83 2kpw s MET 44 Cb -0.18 -3.53 0.06 0.00 1.25 0.00 0.00 34.83 32.43 2kpw s MET 44 CO 0.02 -0.07 -0.04 0.42 1.05 0.00 0.00 175.02 176.40 2kpw s ILE 45 N 1.37 2.61 -0.49 10.11 1.01 0.26 -0.14 121.20 135.93 2kpw s ILE 45 Ca 0.23 -1.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.10 2kpw s ILE 45 Cb -0.15 -2.55 0.04 0.00 0.01 0.00 0.00 42.46 39.81 2kpw s ILE 45 CO 0.09 -0.12 0.75 -0.60 0.00 0.00 0.00 174.94 175.06 2kpw s ARG 46 N 1.16 3.28 -0.17 2.79 3.52 0.31 -0.46 118.95 129.39 2kpw s ARG 46 Ca -0.06 -0.42 -0.14 0.00 -0.13 0.00 0.00 55.73 54.98 2kpw s ARG 46 Cb -0.20 -4.01 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 2kpw s ARG 46 CO -0.03 -1.22 0.31 0.15 -0.81 0.00 0.00 175.30 173.70 2kpw s LYS 47 N 3.18 4.25 -0.29 5.12 1.02 0.43 -1.39 119.74 132.06 2kpw s LYS 47 Ca 0.24 0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.33 2kpw s LYS 47 Cb -0.15 -3.44 0.10 0.00 -0.52 0.00 0.00 37.83 33.82 2kpw s LYS 47 CO 0.18 0.19 0.10 -1.50 -0.92 0.00 0.00 175.35 173.41 2kpw s ILE 48 N 0.60 0.55 0.00 2.17 2.07 -0.37 -0.68 121.20 125.54 2kpw s ILE 48 Ca 0.17 -1.13 0.00 0.00 -1.41 0.00 0.00 60.65 58.28 2kpw s ILE 48 Cb -0.13 -1.40 0.00 0.00 0.13 0.00 0.00 42.46 41.06 2kpw s ILE 48 CO 0.05 -0.66 0.00 0.61 -1.91 0.00 0.00 174.94 173.03 2kpw n GLY 49 N 4.99 1.37 0.09 1.50 0.00 -1.24 -2.89 105.19 109.01 2kpw n GLY 49 Ca -0.04 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2kpw n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpw n ASP 50 N 8.84 1.02 -4.97 1.61 9.92 -1.26 -5.03 116.55 126.68 2kpw n ASP 50 Ca 0.00 -0.03 -0.22 0.00 -0.53 0.00 0.00 54.79 54.02 2kpw n ASP 50 Cb 0.00 0.66 0.03 0.00 -0.64 0.00 0.00 41.12 41.17 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kpw s THR 51 N -2.43 2.96 -0.02 -3.53 -1.32 -1.14 -5.12 115.64 105.04 2kpw s THR 51 Ca -0.13 -0.60 -0.23 0.00 -1.21 0.00 0.00 61.69 59.51 2kpw s THR 51 Cb 0.06 -3.11 0.05 0.00 -1.51 0.00 0.00 72.50 67.98 2kpw s THR 51 CO 0.67 -0.08 0.50 -0.94 -2.21 0.00 0.00 174.62 172.56 2kpw s SER 52 N -4.38 -0.43 -0.00 8.08 1.04 -1.26 -1.24 113.70 115.51 2kpw s SER 52 Ca 0.55 0.37 0.02 0.00 0.48 0.00 0.00 55.95 57.38 2kpw s SER 52 Cb -0.10 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2kpw s SER 52 CO 0.39 -0.56 -0.07 0.54 0.98 0.00 0.00 173.24 174.51 2kpw s VAL 53 N -1.45 0.56 0.22 5.02 0.11 -0.49 -4.98 120.40 119.40 2kpw s VAL 53 Ca -0.11 -0.37 0.07 0.00 -2.93 0.00 0.00 61.98 58.65 2kpw s VAL 53 Cb -0.02 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2kpw s VAL 53 CO 0.06 0.12 0.10 -0.94 -3.33 0.00 0.00 175.10 171.11 2kpw s SER 54 N -0.28 5.17 -0.25 3.54 1.04 -1.26 -0.53 113.70 121.13 2kpw s SER 54 Ca 0.02 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 2kpw s SER 54 Cb -0.03 -1.22 0.13 0.00 0.10 0.00 0.00 66.02 65.00 2kpw s SER 54 CO -0.00 0.02 0.48 -0.47 0.98 0.00 0.00 173.24 174.24 2kpw s TYR 55 N -2.03 -1.04 0.01 5.02 5.04 0.80 -4.93 117.35 120.23 2kpw s TYR 55 Ca 0.31 1.49 -0.23 0.00 -2.44 0.00 0.00 57.07 56.20 2kpw s TYR 55 Cb -0.08 0.35 -0.05 0.00 0.35 0.00 0.00 41.96 42.53 2kpw s TYR 55 CO 0.22 -0.65 0.70 0.21 -1.34 0.00 0.00 175.55 174.69 2kpw s LYS 56 N 2.68 4.43 0.95 4.97 2.20 -1.26 -0.56 119.74 133.15 2kpw s LYS 56 Ca 0.06 0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 56.44 2kpw s LYS 56 Cb -0.14 -3.37 0.23 0.00 -1.51 0.00 0.00 37.83 33.04 2kpw s LYS 56 CO -0.16 0.27 0.91 0.66 -0.36 0.00 0.00 175.35 176.67 2kpw n TYR 57 N 2.96 -3.77 -3.78 4.03 4.01 0.17 -4.95 117.16 115.83 2kpw n TYR 57 Ca -0.04 -0.82 -0.13 0.00 -0.16 0.00 0.00 57.90 56.75 2kpw n TYR 57 Cb 0.51 -0.90 -0.10 0.00 -0.31 0.00 0.00 39.34 38.54 2kpw n TYR 57 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2kpw s THR 58 N -2.73 0.02 -1.09 -0.72 -1.32 -1.26 -4.45 115.64 104.08 2kpw s THR 58 Ca 0.58 -0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.78 2kpw s THR 58 Cb -0.05 -0.47 0.22 0.00 -1.51 0.00 0.00 72.50 70.69 2kpw s THR 58 CO 0.43 -0.09 1.18 -0.55 -2.21 0.00 0.00 174.62 173.39 2kpw s SER 59 N -0.29 7.10 0.00 8.08 0.15 -0.86 -4.53 113.70 123.36 2kpw s SER 59 Ca -0.04 -3.12 0.00 0.00 0.70 0.00 0.00 55.95 53.49 2kpw s SER 59 Cb -0.03 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 2kpw s SER 59 CO 0.01 -0.56 0.78 -2.11 1.20 0.00 0.00 173.24 172.56 2kpw n ARG 60 N 4.25 1.40 -3.67 5.44 1.85 -1.26 -4.91 116.66 119.75 2kpw n ARG 60 Ca 0.27 -1.07 -0.14 0.00 -1.00 0.00 0.00 57.85 55.91 2kpw n ARG 60 Cb 0.42 -0.97 -0.07 0.00 -1.05 0.00 0.00 32.46 30.80 2kpw n ARG 60 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2kpw s TYR 61 N -0.58 -0.30 -0.23 2.89 1.13 -1.26 -4.97 117.35 114.02 2kpw s TYR 61 Ca 0.00 0.39 -0.02 0.00 -1.41 0.00 0.00 57.07 56.03 2kpw s TYR 61 Cb 0.00 0.21 0.02 0.00 -1.10 0.00 0.00 41.96 41.09 2kpw s TYR 61 CO 0.00 -0.51 -0.08 0.08 -2.51 0.00 0.00 175.55 172.52 2kpw s VAL 62 N -1.86 2.82 -0.21 -3.49 1.01 -1.26 -3.68 120.40 113.73 2kpw s VAL 62 Ca -0.09 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 2kpw s VAL 62 Cb -0.02 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2kpw s VAL 62 CO 0.02 0.30 0.46 -0.22 0.00 0.00 0.00 175.10 175.66 2kpw s LEU 63 N 1.35 4.13 0.00 3.92 1.98 0.18 -4.79 118.68 125.46 2kpw s LEU 63 Ca 0.02 0.57 0.00 0.00 -2.89 0.00 0.00 54.13 51.83 2kpw s LEU 63 Cb -0.16 -2.61 0.00 0.00 0.66 0.00 0.00 46.19 44.08 2kpw s LEU 63 CO -0.06 -0.15 0.00 0.29 -1.89 0.00 0.00 176.35 174.54 2kpw n LYS 64 N 4.79 0.07 -2.87 1.98 5.02 -1.26 -0.82 118.16 125.06 2kpw n LYS 64 Ca -0.06 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.86 2kpw n LYS 64 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.45 2kpw n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kpw s ALA 65 N -3.90 3.27 -0.31 7.82 0.00 -1.26 -3.93 121.76 123.45 2kpw s ALA 65 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.38 2kpw s ALA 65 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2kpw s ALA 65 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.39 2kpw n GLY 66 N 0.63 0.47 3.64 0.00 0.00 0.49 -4.99 105.19 105.43 2kpw n GLY 66 Ca 0.01 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2kpw n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kpw s GLN 67 N -1.61 2.67 -0.05 1.61 2.00 -1.25 -4.96 119.66 118.07 2kpw s GLN 67 Ca 0.00 -0.66 -0.05 0.00 -2.00 0.00 0.00 55.36 52.65 2kpw s GLN 67 Cb 0.00 -2.59 -0.04 0.00 0.80 0.00 0.00 33.01 31.18 2kpw s GLN 67 CO 0.00 0.61 0.18 0.95 -0.50 0.00 0.00 175.29 176.53 2kpw s THR 68 N -1.04 5.45 -0.17 -0.34 -4.23 -1.26 -2.12 115.64 111.93 2kpw s THR 68 Ca 0.18 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.70 2kpw s THR 68 Cb -0.11 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.23 2kpw s THR 68 CO 0.09 0.44 -0.12 0.54 -0.54 0.00 0.00 174.62 175.04 2kpw s VAL 69 N -1.21 2.92 -0.22 2.29 0.11 0.42 -4.96 120.40 119.75 2kpw s VAL 69 Ca 0.23 -0.67 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 2kpw s VAL 69 Cb -0.12 -2.27 -0.05 0.00 -1.53 0.00 0.00 36.38 32.41 2kpw s VAL 69 CO 0.13 0.49 0.12 -0.89 -3.33 0.00 0.00 175.10 171.61 2kpw s THR 70 N 0.99 5.09 -0.56 5.04 2.01 -1.26 -0.80 115.64 126.15 2kpw s THR 70 Ca -0.01 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.86 2kpw s THR 70 Cb -0.15 -3.34 0.07 0.00 0.01 0.00 0.00 72.50 69.09 2kpw s THR 70 CO -0.02 0.39 0.76 -0.63 -0.69 0.00 0.00 174.62 174.43 2kpw s ILE 71 N 0.80 4.68 0.04 1.82 -1.09 0.35 -2.37 121.20 125.45 2kpw s ILE 71 Ca 0.06 -0.48 -0.24 0.00 -2.23 0.00 0.00 60.65 57.76 2kpw s ILE 71 Cb -0.13 -4.46 -0.06 0.00 -1.58 0.00 0.00 42.46 36.24 2kpw s ILE 71 CO 0.02 -1.06 0.73 0.26 -1.23 0.00 0.00 174.94 173.66 2kpw s TRP 72 N 3.11 3.74 0.68 3.97 0.52 0.09 -1.23 118.94 129.82 2kpw s TRP 72 Ca 0.18 1.43 -0.16 0.00 0.02 0.00 0.00 56.10 57.57 2kpw s TRP 72 Cb -0.19 -2.77 0.01 0.00 -1.15 0.00 0.00 33.47 29.37 2kpw s TRP 72 CO 0.11 0.31 1.19 0.00 0.02 0.00 0.00 176.95 178.58 2kpw s ALA 73 N -0.18 2.30 0.43 0.98 0.00 -0.25 0.68 121.76 125.71 2kpw s ALA 73 Ca 0.37 0.85 0.16 0.00 0.00 0.00 0.00 51.96 53.34 2kpw s ALA 73 Cb -0.20 -3.44 1.06 0.00 0.00 0.00 0.00 23.12 20.54 2kpw s ALA 73 CO 0.22 -1.57 1.91 0.00 0.00 0.00 0.00 175.76 176.32 2kpw h ALA 74 N 0.08 2.14 -0.06 0.00 0.00 -1.01 0.43 119.26 120.83 2kpw h ALA 74 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2kpw h ALA 74 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kpw h ALA 74 CO 0.52 -0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.50 2kpw n ASN 75 N -4.48 0.43 0.01 0.00 3.02 -0.49 -3.83 115.26 109.93 2kpw n ASN 75 Ca 0.15 -1.71 -0.04 0.00 -0.03 0.00 0.00 54.58 52.95 2kpw n ASN 75 Cb 0.56 -0.04 0.19 0.00 -0.61 0.00 0.00 39.78 39.88 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kpw h ALA 76 N 3.46 1.07 0.00 5.41 0.00 -1.17 -3.47 119.26 124.56 2kpw h ALA 76 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kpw h ALA 76 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kpw h ALA 76 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2kpw n GLY 77 N -0.32 0.86 3.91 0.00 0.00 -1.25 -5.04 105.19 103.35 2kpw n GLY 77 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kpw n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kpw s VAL 78 N -3.39 2.04 0.05 1.61 -7.23 -1.26 -5.00 120.40 107.21 2kpw s VAL 78 Ca 0.00 -0.05 -0.31 0.00 -1.81 0.00 0.00 61.98 59.81 2kpw s VAL 78 Cb 0.00 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.88 2kpw s VAL 78 CO 0.00 0.00 1.44 -0.89 -0.31 0.00 0.00 175.10 175.34 2kpw s THR 79 N -3.59 3.48 -0.27 5.32 2.01 -1.26 -4.90 115.64 116.43 2kpw s THR 79 Ca 0.64 0.95 0.24 0.00 0.31 0.00 0.00 61.69 63.83 2kpw s THR 79 Cb -0.09 -3.61 0.25 0.00 0.01 0.00 0.00 72.50 69.06 2kpw s THR 79 CO 0.49 0.02 1.73 0.00 -0.69 0.00 0.00 174.62 176.18 2kpw h ALA 80 N 7.60 1.00 -1.81 7.40 0.00 -1.94 -3.36 119.26 128.15 2kpw h ALA 80 Ca -0.40 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.16 2kpw h ALA 80 Cb 1.19 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.69 2kpw h ALA 80 CO 0.90 0.00 -0.70 0.45 0.00 0.00 0.00 179.25 179.90 2kpw s SER 81 N -4.27 0.60 0.22 0.00 0.15 -1.26 -4.36 113.70 104.78 2kpw s SER 81 Ca 0.01 -1.85 -0.07 0.00 0.70 0.00 0.00 55.95 54.73 2kpw s SER 81 Cb 0.08 0.68 0.34 0.00 -1.71 0.00 0.00 66.02 65.41 2kpw s SER 81 CO 0.31 -0.20 1.75 -0.65 1.20 0.00 0.00 173.24 175.66 2kpw h PRO 82 N 6.43 0.47 -5.38 5.44 0.11 -1.80 -3.46 132.00 133.81 2kpw h PRO 82 Ca 0.10 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.56 2kpw h PRO 82 Cb 1.04 -0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.94 2kpw h PRO 82 CO 0.19 0.31 -0.49 -1.25 -0.21 0.00 0.00 178.00 176.56 2kpw s PRO 83 N -6.07 3.97 0.00 1.05 0.04 -1.26 -5.09 135.00 127.65 2kpw s PRO 83 Ca -0.13 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.72 2kpw s PRO 83 Cb 0.18 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.37 2kpw s PRO 83 CO 0.75 0.44 0.00 -2.37 0.04 0.00 0.00 177.00 175.86 2kpw n THR 84 N 3.07 0.00 -2.71 1.26 5.66 -1.26 -4.97 114.28 115.34 2kpw n THR 84 Ca -0.17 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.58 2kpw n THR 84 Cb 0.53 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.33 2kpw n THR 84 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2kpw s ASP 85 N -1.72 5.73 -0.05 1.09 1.01 -1.26 -4.77 116.67 116.70 2kpw s ASP 85 Ca 0.00 0.49 0.04 0.00 0.71 0.00 0.00 52.55 53.79 2kpw s ASP 85 Cb 0.00 -1.62 0.00 0.00 1.01 0.00 0.00 42.92 42.31 2kpw s ASP 85 CO 0.00 -0.86 -0.16 -0.76 0.21 0.00 0.00 175.17 173.59 2kpw s LEU 86 N -4.76 1.87 -0.35 1.23 1.43 -1.00 -4.54 118.68 112.56 2kpw s LEU 86 Ca 0.51 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 53.09 2kpw s LEU 86 Cb -0.10 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.16 2kpw s LEU 86 CO 0.41 0.12 0.49 -0.63 0.23 0.00 0.00 176.35 176.97 2kpw s ILE 87 N 0.20 5.04 -0.77 -0.59 1.09 -1.26 -0.73 121.20 124.18 2kpw s ILE 87 Ca -0.07 0.28 -0.25 0.00 -1.10 0.00 0.00 60.65 59.51 2kpw s ILE 87 Cb -0.13 -3.94 -0.06 0.00 -1.06 0.00 0.00 42.46 37.27 2kpw s ILE 87 CO 0.03 -0.20 2.06 0.86 -0.10 0.00 0.00 174.94 177.59 2kpw s TRP 88 N 2.33 1.57 0.05 3.97 -0.11 0.21 -4.80 118.94 122.16 2kpw s TRP 88 Ca 0.17 1.03 0.11 0.00 1.22 0.00 0.00 56.10 58.63 2kpw s TRP 88 Cb -0.16 -3.89 0.02 0.00 -1.50 0.00 0.00 33.47 27.94 2kpw s TRP 88 CO 0.13 -1.93 1.41 0.87 -4.62 0.00 0.00 176.95 172.81 2kpw h LYS 89 N 13.30 0.00 0.00 5.86 1.57 -1.93 -1.92 116.57 133.44 2kpw h LYS 89 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kpw h LYS 89 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2kpw h LYS 89 CO 1.17 0.74 -0.01 -0.91 -0.57 0.00 0.00 179.45 179.88 2kpw h ASN 90 N 0.00 0.00 -3.39 0.86 4.21 -1.91 -3.40 115.58 111.94 2kpw h ASN 90 Ca -0.01 0.00 -0.45 0.00 1.21 0.00 0.00 56.30 57.05 2kpw h ASN 90 Cb 1.50 0.00 -0.35 0.00 -1.12 0.00 0.00 38.32 38.35 2kpw h ASN 90 CO 0.10 0.01 -0.78 -1.58 -1.29 0.00 0.00 177.43 173.88 2kpw s GLN 91 N -4.02 1.09 0.01 0.81 0.74 -1.23 -5.05 119.66 112.01 2kpw s GLN 91 Ca -0.03 -0.17 -0.25 0.00 0.05 0.00 0.00 55.36 54.96 2kpw s GLN 91 Cb 0.12 -1.08 -0.18 0.00 1.10 0.00 0.00 33.01 32.97 2kpw s GLN 91 CO 0.46 -0.11 1.32 -0.91 -0.55 0.00 0.00 175.29 175.50 2kpw h ASN 92 N 7.41 -0.13 -2.06 6.67 4.21 -1.80 -2.72 115.58 127.15 2kpw h ASN 92 Ca -0.33 -0.29 0.28 0.00 1.21 0.00 0.00 56.30 57.18 2kpw h ASN 92 Cb 1.15 0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 38.34 2kpw h ASN 92 CO 0.44 0.23 0.77 -0.24 -1.29 0.00 0.00 177.43 177.34 2kpw n SER 93 N -5.00 -1.20 -2.73 5.81 2.88 -1.26 -1.40 113.62 110.73 2kpw n SER 93 Ca -0.09 -1.35 -0.11 0.00 -1.33 0.00 0.00 58.87 55.99 2kpw n SER 93 Cb 0.22 1.88 -0.01 0.00 -0.75 0.00 0.00 64.21 65.56 2kpw n SER 93 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2kpw n TRP 94 N -0.81 -1.73 0.00 0.66 2.14 -1.25 -5.10 117.44 111.35 2kpw n TRP 94 Ca 0.03 -1.94 0.00 0.00 2.07 0.00 0.00 57.50 57.66 2kpw n TRP 94 Cb 0.53 0.64 0.00 0.00 -0.81 0.00 0.00 31.31 31.68 2kpw n TRP 94 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2kpw n GLY 95 N -0.51 -0.44 0.14 -1.67 0.00 -1.26 -3.69 105.19 97.77 2kpw n GLY 95 Ca -0.03 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kpw h THR 96 N 0.00 1.33 0.00 2.61 1.35 -1.92 -3.49 112.91 112.79 2kpw h THR 96 Ca 0.00 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 2kpw h THR 96 Cb 0.00 3.05 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 2kpw h THR 96 CO 0.00 0.79 0.00 0.61 -0.25 0.00 0.00 175.52 176.67 2kpw n GLY 97 N 1.68 2.41 3.78 5.82 0.00 -1.26 -5.09 105.19 112.53 2kpw n GLY 97 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2kpw n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpw s GLU 98 N -0.31 -0.44 0.02 1.61 0.41 -1.26 -4.97 118.70 113.76 2kpw s GLU 98 Ca 0.00 -0.36 -0.30 0.00 -0.41 0.00 0.00 54.97 53.90 2kpw s GLU 98 Cb 0.00 -1.71 -0.07 0.00 -1.78 0.00 0.00 34.13 30.57 2kpw s GLU 98 CO 0.00 -3.14 1.55 0.16 -0.49 0.00 0.00 175.26 173.34 2kpw s ASP 99 N -4.52 6.71 -0.02 -0.19 -4.77 -1.26 -5.02 116.67 107.60 2kpw s ASP 99 Ca 0.74 2.30 0.02 0.00 -3.30 0.00 0.00 52.55 52.31 2kpw s ASP 99 Cb -0.05 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 39.23 2kpw s ASP 99 CO 0.55 -0.83 -0.05 0.54 0.70 0.00 0.00 175.17 176.08 2kpw s VAL 100 N 2.73 0.50 -0.04 2.11 0.11 -1.26 -3.69 120.40 120.85 2kpw s VAL 100 Ca 0.70 -0.20 0.06 0.00 -2.93 0.00 0.00 61.98 59.61 2kpw s VAL 100 Cb -0.36 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 2kpw s VAL 100 CO 0.29 0.17 -0.21 -0.75 -3.33 0.00 0.00 175.10 171.27 2kpw s LYS 101 N 0.30 2.06 -0.21 1.54 2.20 0.14 -1.76 119.74 124.01 2kpw s LYS 101 Ca -0.04 -0.77 -0.06 0.00 -0.36 0.00 0.00 55.97 54.75 2kpw s LYS 101 Cb -0.08 -1.82 -0.02 0.00 -1.51 0.00 0.00 37.83 34.40 2kpw s LYS 101 CO -0.00 0.36 0.01 0.08 -0.36 0.00 0.00 175.35 175.44 2kpw s VAL 102 N -0.20 4.00 -0.14 4.02 1.01 -0.08 -0.43 120.40 128.58 2kpw s VAL 102 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2kpw s VAL 102 Cb -0.11 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2kpw s VAL 102 CO 0.02 0.41 0.08 -0.63 0.00 0.00 0.00 175.10 174.97 2kpw s ILE 103 N 1.19 4.96 -0.37 2.22 -1.09 0.39 -2.95 121.20 125.56 2kpw s ILE 103 Ca 0.03 0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.42 2kpw s ILE 103 Cb -0.14 -3.18 0.07 0.00 -1.58 0.00 0.00 42.46 37.62 2kpw s ILE 103 CO 0.02 0.54 0.14 -0.76 -1.23 0.00 0.00 174.94 173.65 2kpw s LEU 104 N -0.35 4.68 -0.16 2.97 1.43 -0.51 -0.57 118.68 126.17 2kpw s LEU 104 Ca 0.09 -1.53 -0.04 0.00 -1.03 0.00 0.00 54.13 51.62 2kpw s LEU 104 Cb -0.12 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2kpw s LEU 104 CO 0.02 -0.42 -0.01 -0.54 0.23 0.00 0.00 176.35 175.62 2kpw s LYS 105 N 1.28 3.70 0.64 1.70 1.02 -0.65 -1.74 119.74 125.70 2kpw s LYS 105 Ca 0.01 -0.47 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 2kpw s LYS 105 Cb -0.21 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 2kpw s LYS 105 CO -0.01 0.28 1.07 -0.80 -0.92 0.00 0.00 175.35 174.98 2kpw s ASN 106 N 0.28 5.45 0.43 2.83 -0.87 0.87 -1.25 114.94 122.68 2kpw s ASN 106 Ca -0.01 1.83 0.25 0.00 -1.57 0.00 0.00 52.86 53.35 2kpw s ASN 106 Cb -0.14 -2.53 1.38 0.00 -0.02 0.00 0.00 41.25 39.94 2kpw s ASN 106 CO 0.02 -1.39 1.75 0.28 -2.57 0.00 0.00 177.10 175.19 2kpw h SER 107 N 0.02 0.00 -0.66 -1.22 0.02 -1.87 -0.02 113.55 109.81 2kpw h SER 107 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2kpw h SER 107 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2kpw h SER 107 CO 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.25 2kpw n GLN 108 N -2.45 3.31 0.00 3.45 6.02 -1.26 -4.96 117.38 121.49 2kpw n GLN 108 Ca -0.02 -2.77 0.00 0.00 -0.01 0.00 0.00 57.00 54.20 2kpw n GLN 108 Cb 0.14 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.66 2kpw n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kpw n GLY 109 N 1.28 3.19 3.83 1.08 0.00 -0.02 -5.06 105.19 109.48 2kpw n GLY 109 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpw s GLU 110 N -0.58 0.60 0.01 1.61 -1.05 -1.26 -4.76 118.70 113.27 2kpw s GLU 110 Ca 0.00 -0.09 0.05 0.00 -0.15 0.00 0.00 54.97 54.77 2kpw s GLU 110 Cb 0.00 -1.81 -0.02 0.00 -0.44 0.00 0.00 34.13 31.86 2kpw s GLU 110 CO 0.00 -2.49 -0.15 -2.00 0.95 0.00 0.00 175.26 171.57 2kpw s GLU 111 N -5.60 1.11 -0.03 -4.83 2.12 -1.26 -0.09 118.70 110.11 2kpw s GLU 111 Ca 0.69 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 55.41 2kpw s GLU 111 Cb -0.09 -1.10 -0.04 0.00 0.26 0.00 0.00 34.13 33.16 2kpw s GLU 111 CO 0.53 0.29 0.00 1.33 -0.54 0.00 0.00 175.26 176.87 2kpw n VAL 112 N 2.36 0.22 -4.03 3.70 0.24 -0.71 -4.94 118.33 115.17 2kpw n VAL 112 Ca -0.16 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 2kpw n VAL 112 Cb 0.55 -0.86 -0.11 0.00 -1.47 0.00 0.00 33.84 31.95 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kpw s ALA 113 N -2.08 0.33 -0.36 2.33 0.00 -1.22 -5.02 121.76 115.74 2kpw s ALA 113 Ca -0.02 -0.79 0.12 0.00 0.00 0.00 0.00 51.96 51.27 2kpw s ALA 113 Cb 0.01 0.15 0.41 0.00 0.00 0.00 0.00 23.12 23.70 2kpw s ALA 113 CO 0.12 -0.18 1.33 0.00 0.00 0.00 0.00 175.76 177.03 2kpw n GLN 114 N 1.19 1.27 -2.47 0.00 10.64 -1.26 -1.43 117.38 125.32 2kpw n GLN 114 Ca -0.21 -2.00 -0.34 0.00 -1.83 0.00 0.00 57.00 52.62 2kpw n GLN 114 Cb 0.56 -0.21 -0.03 0.00 -0.86 0.00 0.00 30.24 29.70 2kpw n GLN 114 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 2kpw s ARG 115 N -0.59 3.76 0.46 2.61 3.52 -1.15 -4.77 118.95 122.78 2kpw s ARG 115 Ca 0.20 1.29 0.05 0.00 -0.13 0.00 0.00 55.73 57.14 2kpw s ARG 115 Cb 0.42 -2.09 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 2kpw s ARG 115 CO -0.08 -0.46 0.12 -1.54 -0.81 0.00 0.00 175.30 172.54 2kpw s SER 116 N -2.20 4.23 0.78 -2.12 1.04 -1.26 -0.90 113.70 113.27 2kpw s SER 116 Ca 0.66 -1.33 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 2kpw s SER 116 Cb -0.15 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 65.96 2kpw s SER 116 CO 0.23 -0.68 1.15 0.42 0.98 0.00 0.00 173.24 175.34 2kpw s THR 117 N -2.72 2.24 -0.08 2.02 -4.23 -0.72 -4.75 115.64 107.40 2kpw s THR 117 Ca 0.29 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 2kpw s THR 117 Cb 0.04 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.82 2kpw s THR 117 CO 0.16 -0.09 -0.20 0.54 -0.54 0.00 0.00 174.62 174.49 2kpw s VAL 118 N -3.51 1.70 -0.20 2.29 0.11 -1.26 -4.89 120.40 114.64 2kpw s VAL 118 Ca 0.61 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2kpw s VAL 118 Cb -0.11 -1.49 0.05 0.00 -1.53 0.00 0.00 36.38 33.30 2kpw s VAL 118 CO 0.49 0.48 -0.08 0.72 -3.33 0.00 0.00 175.10 173.38 2kpw s PHE 119 N 0.42 2.21 0.00 1.54 -0.71 -1.26 -4.94 117.98 115.25 2kpw s PHE 119 Ca -0.16 -1.50 0.15 0.00 -1.04 0.00 0.00 56.93 54.38 2kpw s PHE 119 Cb -0.17 -1.53 0.25 0.00 -1.21 0.00 0.00 43.02 40.35 2kpw s PHE 119 CO 0.07 -0.72 1.07 1.63 -1.34 0.00 0.00 175.22 175.93 2kpw n LYS 120 N 4.73 0.00 -3.58 1.99 5.02 -1.26 -5.03 118.16 120.04 2kpw n LYS 120 Ca -0.13 -1.52 -0.20 0.00 -2.02 0.00 0.00 58.31 54.44 2kpw n LYS 120 Cb 0.46 -0.05 0.01 0.00 -0.02 0.00 0.00 35.03 35.43 2kpw n LYS 120 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2kpw n THR 121 N 0.29 -5.72 -1.10 -0.18 -2.24 -1.26 -5.37 114.28 98.70 2kpw n THR 121 Ca -0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2kpw n THR 121 Cb 0.95 -4.30 0.00 0.00 -2.10 0.00 0.00 70.33 64.88 2kpw n THR 121 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57