#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 2.73 0.60 3.17 0.00 -1.26 -5.05 105.19 105.37 2kpw n GLY 2 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 46.02 45.25 2kpw n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kpw n HIS 3 N -0.81 0.00 -3.47 1.61 -0.00 -1.26 -5.00 115.22 106.29 2kpw n HIS 3 Ca 0.00 -0.26 -0.43 0.00 -0.00 0.00 0.00 57.72 57.03 2kpw n HIS 3 Cb 0.00 -0.09 -0.06 0.00 -0.00 0.00 0.00 29.99 29.84 2kpw n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 4 N -0.50 3.48 -0.30 -1.40 4.02 -1.26 -4.85 115.29 114.48 2kpw s HIS 4 Ca 0.11 -1.92 0.12 0.00 1.02 0.00 0.00 55.06 54.38 2kpw s HIS 4 Cb 0.11 -3.60 -0.16 0.00 -1.02 0.00 0.00 32.58 27.92 2kpw s HIS 4 CO -0.02 -0.97 0.39 0.72 1.02 0.00 0.00 174.74 175.87 2kpw n HIS 5 N 4.50 0.00 -2.36 1.40 8.25 -1.26 -4.89 115.22 120.87 2kpw n HIS 5 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 2kpw n HIS 5 Cb 0.42 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 2kpw n HIS 5 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpw s HIS 6 N -2.45 2.38 -0.20 4.41 4.02 -1.26 -4.89 115.29 117.29 2kpw s HIS 6 Ca 0.00 -0.60 -0.00 0.00 1.02 0.00 0.00 55.06 55.48 2kpw s HIS 6 Cb 0.08 -4.44 0.05 0.00 -1.02 0.00 0.00 32.58 27.26 2kpw s HIS 6 CO 0.49 -1.64 -0.04 -1.01 1.02 0.00 0.00 174.74 173.56 2kpw s HIS 7 N 7.08 1.87 -0.17 1.40 0.09 -1.26 -5.10 115.29 119.20 2kpw s HIS 7 Ca 0.59 -1.33 -0.02 0.00 -0.00 0.00 0.00 55.06 54.30 2kpw s HIS 7 Cb 0.01 -1.37 0.05 0.00 -0.00 0.00 0.00 32.58 31.26 2kpw s HIS 7 CO 0.05 -0.68 -0.00 -3.38 -0.00 0.00 0.00 174.74 170.73 2kpw s HIS 8 N 1.58 1.30 -1.38 1.40 0.00 -1.26 -5.05 115.29 111.87 2kpw s HIS 8 Ca -0.02 -0.91 -0.08 0.00 -3.00 0.00 0.00 55.06 51.04 2kpw s HIS 8 Cb -0.17 -1.13 -0.05 0.00 -4.00 0.00 0.00 32.58 27.23 2kpw s HIS 8 CO -0.07 -0.59 2.87 -1.13 -1.00 0.00 0.00 174.74 174.82 2kpw n SER 9 N 4.98 8.23 -3.12 7.38 3.41 -1.26 -4.55 113.62 128.69 2kpw n SER 9 Ca -0.10 -2.73 -0.13 0.00 -0.26 0.00 0.00 58.87 55.65 2kpw n SER 9 Cb 0.47 -1.49 -0.04 0.00 -0.26 0.00 0.00 64.21 62.89 2kpw n SER 9 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2kpw s HIS 10 N 1.11 -0.54 0.03 7.33 0.09 -1.26 -5.15 115.29 116.90 2kpw s HIS 10 Ca 0.65 -1.08 -0.00 0.00 -0.00 0.00 0.00 55.06 54.64 2kpw s HIS 10 Cb 0.20 -0.21 -0.02 0.00 -0.00 0.00 0.00 32.58 32.55 2kpw s HIS 10 CO -0.07 -1.07 -0.03 -1.64 -0.00 0.00 0.00 174.74 171.93 2kpw s MET 11 N 0.84 0.39 0.33 1.40 1.00 -1.26 -5.17 119.30 116.82 2kpw s MET 11 Ca 0.27 -0.76 0.04 0.00 0.00 0.00 0.00 55.69 55.23 2kpw s MET 11 Cb -0.03 0.14 -0.06 0.00 0.00 0.00 0.00 34.83 34.88 2kpw s MET 11 CO -0.09 -0.07 0.06 -0.08 0.00 0.00 0.00 175.02 174.85 2kpw s THR 12 N -2.07 1.17 0.03 2.05 -1.32 -1.26 -5.13 115.64 109.11 2kpw s THR 12 Ca -0.10 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.07 2kpw s THR 12 Cb -0.05 -2.78 -0.05 0.00 -1.51 0.00 0.00 72.50 68.10 2kpw s THR 12 CO -0.03 0.00 1.18 -0.83 -2.21 0.00 0.00 174.62 172.73 2kpw s GLY 13 N -3.49 2.39 -0.00 6.08 0.00 -1.26 -4.93 107.32 106.11 2kpw s GLY 13 Ca 0.36 0.78 -0.05 0.00 0.00 0.00 0.00 44.72 45.81 2kpw s GLY 13 CO 0.15 2.05 -0.10 0.70 0.00 0.00 0.00 173.10 175.90 2kpw n ASN 14 N 4.18 1.16 -4.77 1.64 3.02 -1.26 -5.05 115.26 114.18 2kpw n ASN 14 Ca 0.09 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.43 2kpw n ASN 14 Cb 0.47 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 2kpw n ASN 14 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2kpw s VAL 15 N -2.23 3.08 0.25 2.41 1.01 -1.26 -3.85 120.40 119.81 2kpw s VAL 15 Ca -0.09 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2kpw s VAL 15 Cb 0.02 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2kpw s VAL 15 CO 0.12 0.10 0.23 0.00 0.00 0.00 0.00 175.10 175.55 2kpw s ILE 17 N -3.85 4.86 -0.11 0.00 1.01 -1.26 -0.61 121.20 121.24 2kpw s ILE 17 Ca 0.37 1.91 -0.06 0.00 0.00 0.00 0.00 60.65 62.88 2kpw s ILE 17 Cb 0.04 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2kpw s ILE 17 CO 0.17 0.10 0.09 -0.08 0.00 0.00 0.00 174.94 175.21 2kpw h GLU 18 N 6.98 0.00 0.00 2.79 4.81 -1.71 -3.46 114.58 123.99 2kpw h GLU 18 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2kpw h GLU 18 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2kpw h GLU 18 CO 0.80 0.17 0.00 -1.91 -0.73 0.00 0.00 179.01 177.34 2kpw n GLU 19 N -4.72 0.00 -1.36 1.92 2.13 -0.55 -5.05 120.64 113.01 2kpw n GLU 19 Ca -0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.48 2kpw n GLU 19 Cb 0.12 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.93 2kpw n GLU 19 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2kpw s ILE 20 N -2.00 3.20 0.65 6.31 1.01 -1.26 -2.56 121.20 126.54 2kpw s ILE 20 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.86 2kpw s ILE 20 Cb 0.00 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 2kpw s ILE 20 CO 0.00 -0.51 1.28 -0.62 0.00 0.00 0.00 174.94 175.09 2kpw s ASP 21 N -3.59 4.65 0.24 3.58 2.15 -0.29 -4.81 116.67 118.60 2kpw s ASP 21 Ca 0.61 2.57 0.03 0.00 0.43 0.00 0.00 52.55 56.19 2kpw s ASP 21 Cb -0.16 -2.61 0.27 0.00 -0.30 0.00 0.00 42.92 40.11 2kpw s ASP 21 CO 0.56 -1.97 1.58 1.62 -0.17 0.00 0.00 175.17 176.78 2kpw h VAL 22 N 0.52 1.35 0.01 1.11 3.04 -1.94 -3.17 116.25 117.17 2kpw h VAL 22 Ca -0.51 -1.83 -0.28 0.00 -1.01 0.00 0.00 66.70 63.07 2kpw h VAL 22 Cb 1.33 1.87 -0.04 0.00 -2.01 0.00 0.00 31.29 32.44 2kpw h VAL 22 CO 0.53 0.55 -1.61 -0.78 -1.01 0.00 0.00 177.57 175.25 2kpw h ASP 23 N 0.24 0.03 0.00 3.17 3.58 -1.96 -3.49 116.42 117.99 2kpw h ASP 23 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2kpw h ASP 23 Cb 1.03 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2kpw h ASP 23 CO 0.09 1.05 0.00 0.61 -2.88 0.00 0.00 179.24 178.11 2kpw n GLY 24 N 1.55 1.42 0.09 -0.78 0.00 -1.20 -4.52 105.19 101.75 2kpw n GLY 24 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.38 0.66 -3.95 1.61 5.02 -1.26 -3.18 118.16 116.68 2kpw n LYS 25 Ca 0.00 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 2kpw n LYS 25 Cb 0.00 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.36 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 -2.62 0.47 -0.03 2.13 -0.12 -1.26 -3.20 117.98 113.35 2kpw s PHE 26 Ca -0.08 -0.91 0.07 0.00 -0.05 0.00 0.00 56.93 55.97 2kpw s PHE 26 Cb 0.07 0.37 -0.02 0.00 -0.63 0.00 0.00 43.02 42.81 2kpw s PHE 26 CO 0.83 -1.27 -0.25 0.42 -0.05 0.00 0.00 175.22 174.90 2kpw s ILE 27 N -3.08 2.07 -0.26 -4.49 1.01 0.55 -1.14 121.20 115.86 2kpw s ILE 27 Ca 0.22 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2kpw s ILE 27 Cb -0.03 -1.72 0.06 0.00 0.01 0.00 0.00 42.46 40.78 2kpw s ILE 27 CO 0.14 0.58 -0.10 -0.60 0.00 0.00 0.00 174.94 174.96 2kpw s ARG 28 N -0.47 2.28 0.50 2.79 3.52 -1.06 -0.19 118.95 126.32 2kpw s ARG 28 Ca 0.06 -1.33 0.07 0.00 -0.13 0.00 0.00 55.73 54.40 2kpw s ARG 28 Cb -0.11 -2.92 0.03 0.00 -1.56 0.00 0.00 34.95 30.38 2kpw s ARG 28 CO 0.00 -0.57 0.47 -0.51 -0.81 0.00 0.00 175.30 173.88 2kpw s LEU 29 N 1.13 3.02 -0.16 -0.88 1.02 -0.64 -1.48 118.68 120.69 2kpw s LEU 29 Ca -0.08 -0.99 -0.14 0.00 0.02 0.00 0.00 54.13 52.94 2kpw s LEU 29 Cb -0.20 -1.58 0.04 0.00 0.02 0.00 0.00 46.19 44.47 2kpw s LEU 29 CO -0.05 -0.99 0.42 -0.75 0.02 0.00 0.00 176.35 175.00 2kpw s LYS 30 N -4.30 0.48 -1.12 1.70 2.20 0.22 -0.61 119.74 118.31 2kpw s LYS 30 Ca 0.44 0.61 -0.22 0.00 -0.36 0.00 0.00 55.97 56.45 2kpw s LYS 30 Cb -0.03 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 2kpw s LYS 30 CO 0.27 -0.07 1.75 1.21 -0.36 0.00 0.00 175.35 178.15 2kpw s ASN 31 N 0.38 5.97 -1.02 1.43 2.47 -0.16 -1.53 114.94 122.47 2kpw s ASN 31 Ca -0.01 -1.65 -0.23 0.00 0.42 0.00 0.00 52.86 51.38 2kpw s ASN 31 Cb -0.04 -2.58 0.03 0.00 -1.45 0.00 0.00 41.25 37.22 2kpw s ASN 31 CO -0.01 -2.04 1.57 0.42 -3.72 0.00 0.00 177.10 173.32 2kpw s THR 32 N 7.25 3.85 0.23 -5.21 -4.23 -1.25 -0.79 115.64 115.48 2kpw s THR 32 Ca 0.59 -0.79 -0.08 0.00 -1.18 0.00 0.00 61.69 60.24 2kpw s THR 32 Cb -0.00 -4.88 0.03 0.00 1.34 0.00 0.00 72.50 68.99 2kpw s THR 32 CO 0.03 -1.75 0.44 -1.54 -0.54 0.00 0.00 174.62 171.26 2kpw n SER 33 N 9.85 -1.27 -0.51 3.99 3.41 -1.26 -4.61 113.62 123.22 2kpw n SER 33 Ca 0.36 -1.96 0.11 0.00 -0.26 0.00 0.00 58.87 57.12 2kpw n SER 33 Cb 0.50 2.14 0.02 0.00 -0.26 0.00 0.00 64.21 66.61 2kpw n SER 33 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kpw n GLU 34 N -0.32 1.26 -3.80 4.33 1.02 -1.26 -4.49 120.64 117.38 2kpw n GLU 34 Ca -0.04 -1.03 -0.09 0.00 -0.02 0.00 0.00 57.16 55.98 2kpw n GLU 34 Cb 0.35 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 2kpw n GLU 34 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2kpw s GLN 35 N -2.45 1.51 -0.15 3.49 0.74 -1.26 -4.96 119.66 116.57 2kpw s GLN 35 Ca 0.19 -0.94 -0.34 0.00 0.05 0.00 0.00 55.36 54.33 2kpw s GLN 35 Cb 0.18 0.54 -0.11 0.00 1.10 0.00 0.00 33.01 34.72 2kpw s GLN 35 CO 0.55 -0.65 1.98 -0.25 -0.55 0.00 0.00 175.29 176.37 2kpw n ASP 36 N -0.38 3.21 -3.91 6.67 8.00 -1.26 -4.04 116.55 124.83 2kpw n ASP 36 Ca -0.07 0.79 -0.29 0.00 0.71 0.00 0.00 54.79 55.92 2kpw n ASP 36 Cb 0.62 -1.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.18 2kpw n ASP 36 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kpw s GLN 37 N 4.73 1.55 0.24 -1.24 -1.52 0.96 -4.88 119.66 119.51 2kpw s GLN 37 Ca 0.97 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 53.35 2kpw s GLN 37 Cb -0.68 -2.30 -0.09 0.00 -0.22 0.00 0.00 33.01 29.73 2kpw s GLN 37 CO 0.49 -0.51 1.24 -1.25 -0.25 0.00 0.00 175.29 175.02 2kpw s PRO 38 N 1.53 4.46 0.00 2.91 0.04 -1.26 -3.69 135.00 138.98 2kpw s PRO 38 Ca -0.02 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2kpw s PRO 38 Cb -0.17 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2kpw s PRO 38 CO -0.07 -0.11 0.15 -0.12 0.04 0.00 0.00 177.00 176.89 2kpw n MET 39 N 1.91 0.00 0.00 4.56 1.56 -1.26 -4.75 117.12 119.13 2kpw n MET 39 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 2kpw n MET 39 Cb 0.43 -0.56 0.00 0.00 2.15 0.00 0.00 33.22 35.24 2kpw n MET 39 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kpw n GLY 40 N 0.72 0.27 1.82 -5.12 0.00 -1.26 -4.23 105.19 97.40 2kpw n GLY 40 Ca 0.00 0.78 -0.08 0.00 0.00 0.00 0.00 46.02 46.72 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 2.87 3.36 -0.02 0.00 -1.26 -3.37 105.19 106.77 2kpw n GLY 41 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 0.50 2.29 -0.31 1.61 0.52 -1.26 -3.13 118.94 119.16 2kpw s TRP 42 Ca 0.41 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 56.11 2kpw s TRP 42 Cb 0.20 -1.30 0.05 0.00 -1.15 0.00 0.00 33.47 31.27 2kpw s TRP 42 CO -0.01 0.23 0.02 -2.00 0.02 0.00 0.00 176.95 175.22 2kpw s GLU 43 N -1.66 2.46 -0.33 4.98 2.12 0.56 -1.80 118.70 125.03 2kpw s GLU 43 Ca 0.13 -1.26 -0.20 0.00 0.36 0.00 0.00 54.97 54.00 2kpw s GLU 43 Cb -0.10 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 2kpw s GLU 43 CO 0.04 -0.63 0.60 1.41 -0.54 0.00 0.00 175.26 176.13 2kpw s MET 44 N 1.28 3.79 -0.44 4.30 -2.45 0.10 -1.26 119.30 124.62 2kpw s MET 44 Ca -0.04 0.13 -0.10 0.00 -1.25 0.00 0.00 55.69 54.43 2kpw s MET 44 Cb -0.20 -3.76 0.09 0.00 1.25 0.00 0.00 34.83 32.21 2kpw s MET 44 CO -0.00 -0.62 0.29 0.42 1.05 0.00 0.00 175.02 176.16 2kpw s ILE 45 N 2.57 4.29 -0.37 10.11 1.09 0.04 -0.48 121.20 138.46 2kpw s ILE 45 Ca 0.23 -1.48 -0.22 0.00 -1.10 0.00 0.00 60.65 58.09 2kpw s ILE 45 Cb -0.15 -3.68 0.01 0.00 -1.06 0.00 0.00 42.46 37.58 2kpw s ILE 45 CO 0.13 -0.58 0.70 -0.60 -0.10 0.00 0.00 174.94 174.49 2kpw s ARG 46 N 1.42 3.67 0.52 2.79 3.52 -0.47 -0.43 118.95 129.98 2kpw s ARG 46 Ca 0.04 0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2kpw s ARG 46 Cb -0.24 -3.82 0.02 0.00 -1.56 0.00 0.00 34.95 29.35 2kpw s ARG 46 CO 0.02 -0.81 0.75 0.15 -0.81 0.00 0.00 175.30 174.59 2kpw s LYS 47 N 2.90 2.67 0.25 5.12 1.02 0.87 -3.17 119.74 129.40 2kpw s LYS 47 Ca 0.27 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.53 2kpw s LYS 47 Cb -0.14 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 2kpw s LYS 47 CO 0.16 -0.60 0.00 1.51 -0.92 0.00 0.00 175.35 175.50 2kpw n ILE 48 N -2.27 0.00 -3.40 2.17 3.06 -1.25 -1.46 119.36 116.22 2kpw n ILE 48 Ca 0.06 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.33 2kpw n ILE 48 Cb 0.59 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.74 2kpw n ILE 48 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2kpw s GLY 49 N -1.97 -0.85 0.00 4.50 0.00 -1.26 -3.54 107.32 104.19 2kpw s GLY 49 Ca 0.00 2.06 0.00 0.00 0.00 0.00 0.00 44.72 46.78 2kpw s GLY 49 CO 0.00 3.20 0.00 1.34 0.00 0.00 0.00 173.10 177.64 2kpw n ASP 50 N 5.44 0.00 -4.89 1.64 2.03 -1.26 -4.79 116.55 114.71 2kpw n ASP 50 Ca -0.06 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.94 2kpw n ASP 50 Cb 0.50 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.85 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kpw s THR 51 N 0.00 5.08 0.01 5.18 -1.32 -1.26 -5.11 115.64 118.23 2kpw s THR 51 Ca 0.00 0.13 -0.03 0.00 -1.21 0.00 0.00 61.69 60.58 2kpw s THR 51 Cb 0.00 -3.64 -0.01 0.00 -1.51 0.00 0.00 72.50 67.34 2kpw s THR 51 CO 0.00 -0.05 0.04 -0.94 -2.21 0.00 0.00 174.62 171.46 2kpw s SER 52 N -2.55 0.14 0.04 8.08 1.04 -1.26 -4.36 113.70 114.83 2kpw s SER 52 Ca 0.43 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.54 2kpw s SER 52 Cb -0.12 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 2kpw s SER 52 CO 0.25 -0.32 -0.13 0.54 0.98 0.00 0.00 173.24 174.56 2kpw s VAL 53 N -1.39 0.99 0.33 5.02 0.11 -1.19 -4.99 120.40 119.28 2kpw s VAL 53 Ca -0.15 -1.01 0.08 0.00 -2.93 0.00 0.00 61.98 57.97 2kpw s VAL 53 Cb -0.09 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2kpw s VAL 53 CO 0.00 -0.08 0.12 -0.94 -3.33 0.00 0.00 175.10 170.87 2kpw s SER 54 N -1.23 4.65 -0.28 3.54 1.04 -1.26 -1.37 113.70 118.80 2kpw s SER 54 Ca -0.01 -0.76 -0.21 0.00 0.48 0.00 0.00 55.95 55.45 2kpw s SER 54 Cb -0.08 -0.74 0.08 0.00 0.10 0.00 0.00 66.02 65.38 2kpw s SER 54 CO 0.01 -0.26 0.75 -0.47 0.98 0.00 0.00 173.24 174.25 2kpw s TYR 55 N -2.42 -0.87 -0.04 5.02 5.04 0.37 -4.97 117.35 119.49 2kpw s TYR 55 Ca 0.37 1.90 -0.18 0.00 -2.44 0.00 0.00 57.07 56.72 2kpw s TYR 55 Cb -0.03 0.44 -0.05 0.00 0.35 0.00 0.00 41.96 42.67 2kpw s TYR 55 CO 0.22 -0.42 0.48 0.21 -1.34 0.00 0.00 175.55 174.70 2kpw s LYS 56 N 0.97 4.19 0.50 4.97 2.20 -1.26 0.00 119.74 131.30 2kpw s LYS 56 Ca -0.05 0.51 -0.22 0.00 -0.36 0.00 0.00 55.97 55.85 2kpw s LYS 56 Cb -0.05 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.88 2kpw s LYS 56 CO -0.10 0.42 1.20 0.71 -0.36 0.00 0.00 175.35 177.23 2kpw s TYR 57 N -0.25 2.70 -0.10 4.03 1.51 -0.75 -4.99 117.35 119.51 2kpw s TYR 57 Ca 0.26 1.50 -0.28 0.00 -1.01 0.00 0.00 57.07 57.54 2kpw s TYR 57 Cb -0.17 -3.46 -0.02 0.00 -0.11 0.00 0.00 41.96 38.21 2kpw s TYR 57 CO 0.13 -1.84 0.95 -0.08 -1.11 0.00 0.00 175.55 173.60 2kpw s THR 58 N -1.52 4.83 -1.17 -0.71 -1.32 -1.26 -4.51 115.64 109.98 2kpw s THR 58 Ca 0.67 1.94 -0.17 0.00 -1.21 0.00 0.00 61.69 62.92 2kpw s THR 58 Cb -0.31 -4.27 0.12 0.00 -1.51 0.00 0.00 72.50 66.54 2kpw s THR 58 CO 0.36 0.05 1.48 -0.44 -2.21 0.00 0.00 174.62 173.87 2kpw s SER 59 N 1.07 6.86 -0.01 8.08 0.01 -1.26 -4.35 113.70 124.09 2kpw s SER 59 Ca 0.47 -2.49 0.02 0.00 1.31 0.00 0.00 55.95 55.25 2kpw s SER 59 Cb -0.18 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.60 2kpw s SER 59 CO 0.19 -1.02 0.79 -2.11 0.41 0.00 0.00 173.24 171.49 2kpw n ARG 60 N 7.03 0.54 -3.49 12.44 1.85 -1.26 -5.07 116.66 128.70 2kpw n ARG 60 Ca 0.38 -0.99 -0.10 0.00 -1.00 0.00 0.00 57.85 56.14 2kpw n ARG 60 Cb 0.46 -0.66 -0.02 0.00 -1.05 0.00 0.00 32.46 31.18 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 -0.41 -0.40 -0.33 2.89 1.13 -1.26 -5.08 117.35 113.88 2kpw s TYR 61 Ca 0.03 0.32 -0.10 0.00 -1.41 0.00 0.00 57.07 55.91 2kpw s TYR 61 Cb 0.03 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 2kpw s TYR 61 CO 0.00 -0.59 0.16 0.08 -2.51 0.00 0.00 175.55 172.70 2kpw s VAL 62 N -2.98 4.56 -0.26 -3.49 1.01 -1.26 -4.61 120.40 113.38 2kpw s VAL 62 Ca 0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 2kpw s VAL 62 Cb -0.01 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.99 2kpw s VAL 62 CO -0.08 -0.03 1.09 -0.22 0.00 0.00 0.00 175.10 175.86 2kpw s LEU 63 N 1.59 4.04 0.67 3.92 0.20 -1.24 -4.86 118.68 122.99 2kpw s LEU 63 Ca 0.04 1.29 -0.16 0.00 0.69 0.00 0.00 54.13 55.98 2kpw s LEU 63 Cb -0.18 -3.54 0.01 0.00 -0.43 0.00 0.00 46.19 42.05 2kpw s LEU 63 CO 0.06 -0.77 1.20 -0.54 -0.29 0.00 0.00 176.35 176.01 2kpw s LYS 64 N 3.43 2.54 0.13 1.98 1.02 -1.26 -0.02 119.74 127.55 2kpw s LYS 64 Ca 0.46 1.75 -0.31 0.00 0.02 0.00 0.00 55.97 57.89 2kpw s LYS 64 Cb -0.15 -1.88 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 2kpw s LYS 64 CO 0.11 -1.52 1.64 0.00 -0.92 0.00 0.00 175.35 174.65 2kpw s ALA 65 N -1.87 3.76 0.00 5.17 0.00 -1.26 -2.26 121.76 125.30 2kpw s ALA 65 Ca 0.75 1.34 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2kpw s ALA 65 Cb -0.29 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2kpw s ALA 65 CO 0.40 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2kpw n GLY 66 N 3.90 1.21 3.86 0.00 0.00 0.03 -4.98 105.19 109.21 2kpw n GLY 66 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.20 3.93 0.28 1.61 2.00 -0.96 -4.81 119.66 121.51 2kpw s GLN 67 Ca 0.00 0.50 0.00 0.00 -2.00 0.00 0.00 55.36 53.86 2kpw s GLN 67 Cb 0.00 -2.61 -0.04 0.00 0.80 0.00 0.00 33.01 31.16 2kpw s GLN 67 CO 0.00 0.28 0.47 0.95 -0.50 0.00 0.00 175.29 176.49 2kpw s THR 68 N -1.82 5.15 -0.10 -0.34 -4.23 -1.26 -0.99 115.64 112.05 2kpw s THR 68 Ca 0.48 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 2kpw s THR 68 Cb -0.12 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.94 2kpw s THR 68 CO 0.19 -0.37 -0.13 0.54 -0.54 0.00 0.00 174.62 174.31 2kpw s VAL 69 N -2.09 1.35 -0.42 2.29 0.11 0.22 -4.94 120.40 116.92 2kpw s VAL 69 Ca 0.39 -0.55 -0.14 0.00 -2.93 0.00 0.00 61.98 58.75 2kpw s VAL 69 Cb -0.10 -1.25 0.04 0.00 -1.53 0.00 0.00 36.38 33.54 2kpw s VAL 69 CO 0.32 0.41 0.30 -0.89 -3.33 0.00 0.00 175.10 171.91 2kpw s THR 70 N 1.06 5.00 -0.57 5.04 2.01 -1.26 -1.62 115.64 125.31 2kpw s THR 70 Ca -0.06 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 2kpw s THR 70 Cb -0.15 -3.87 0.07 0.00 0.01 0.00 0.00 72.50 68.57 2kpw s THR 70 CO -0.02 -0.39 0.77 -0.63 -0.69 0.00 0.00 174.62 173.67 2kpw s ILE 71 N 1.62 4.66 0.72 1.82 -1.09 0.73 -0.88 121.20 128.77 2kpw s ILE 71 Ca 0.04 -0.50 -0.07 0.00 -2.23 0.00 0.00 60.65 57.89 2kpw s ILE 71 Cb -0.21 -4.48 0.07 0.00 -1.58 0.00 0.00 42.46 36.26 2kpw s ILE 71 CO 0.08 -1.10 1.03 0.26 -1.23 0.00 0.00 174.94 173.98 2kpw s TRP 72 N 3.18 2.87 0.51 3.97 0.52 0.23 -0.33 118.94 129.89 2kpw s TRP 72 Ca 0.18 0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.75 2kpw s TRP 72 Cb -0.19 -3.23 0.02 0.00 -1.15 0.00 0.00 33.47 28.91 2kpw s TRP 72 CO 0.11 -1.47 0.74 0.00 0.02 0.00 0.00 176.95 176.35 2kpw s ALA 73 N -3.28 3.80 0.28 0.98 0.00 -1.19 0.00 121.76 122.34 2kpw s ALA 73 Ca 0.61 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2kpw s ALA 73 Cb -0.11 -2.14 0.64 0.00 0.00 0.00 0.00 23.12 21.52 2kpw s ALA 73 CO 0.45 -0.60 1.75 0.00 0.00 0.00 0.00 175.76 177.36 2kpw h ALA 74 N 0.19 1.44 -0.67 0.00 0.00 0.45 -0.68 119.26 119.98 2kpw h ALA 74 Ca -0.44 0.10 -0.41 0.00 0.00 0.00 0.00 54.91 54.16 2kpw h ALA 74 Cb 1.28 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.86 2kpw h ALA 74 CO 0.55 -0.12 0.53 0.09 0.00 0.00 0.00 179.25 180.29 2kpw n ASN 75 N -4.87 5.41 -0.09 0.00 3.02 -1.08 -4.53 115.26 113.13 2kpw n ASN 75 Ca 0.20 -3.23 -0.11 0.00 -0.03 0.00 0.00 54.58 51.42 2kpw n ASN 75 Cb 0.52 -0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 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 1.52 0.37 0.00 5.41 0.00 -1.39 -3.48 119.26 121.68 2kpw h ALA 76 Ca 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2kpw h ALA 76 Cb 1.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kpw h ALA 76 CO 0.93 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.65 2kpw n GLY 77 N -0.46 3.05 3.63 0.00 0.00 -1.26 -5.05 105.19 105.10 2kpw n GLY 77 Ca -0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.18 1.96 0.19 1.61 -7.23 -1.26 -4.94 120.40 109.54 2kpw s VAL 78 Ca 0.00 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.85 2kpw s VAL 78 Cb 0.00 -2.41 -0.11 0.00 0.56 0.00 0.00 36.38 34.42 2kpw s VAL 78 CO 0.00 0.00 1.74 -0.89 -0.31 0.00 0.00 175.10 175.64 2kpw s THR 79 N -2.87 2.17 0.31 5.32 2.01 -1.26 -4.89 115.64 116.43 2kpw s THR 79 Ca 0.67 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.78 2kpw s THR 79 Cb -0.19 -3.03 0.30 0.00 0.01 0.00 0.00 72.50 69.59 2kpw s THR 79 CO 0.59 0.00 1.76 0.00 -0.69 0.00 0.00 174.62 176.28 2kpw h ALA 80 N 7.20 1.69 -2.02 7.40 0.00 -1.93 -3.34 119.26 128.27 2kpw h ALA 80 Ca -0.44 0.10 -0.40 0.00 0.00 0.00 0.00 54.91 54.17 2kpw h ALA 80 Cb 1.20 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.63 2kpw h ALA 80 CO 0.95 -0.13 -0.72 0.45 0.00 0.00 0.00 179.25 179.80 2kpw s SER 81 N -5.34 1.33 0.46 0.00 0.15 -1.26 -2.43 113.70 106.62 2kpw s SER 81 Ca -0.11 -1.75 0.12 0.00 0.70 0.00 0.00 55.95 54.91 2kpw s SER 81 Cb 0.26 0.43 1.07 0.00 -1.71 0.00 0.00 66.02 66.07 2kpw s SER 81 CO 0.80 -0.25 2.09 -0.65 1.20 0.00 0.00 173.24 176.42 2kpw h PRO 82 N 6.91 0.27 -0.98 5.44 0.11 -1.69 -3.45 132.00 138.62 2kpw h PRO 82 Ca 0.07 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.53 2kpw h PRO 82 Cb 1.04 -0.06 -0.30 0.00 0.11 0.00 0.00 31.00 31.79 2kpw h PRO 82 CO 0.21 0.18 0.74 -0.35 -0.21 0.00 0.00 178.00 178.57 2kpw n PRO 83 N -4.50 2.63 -0.02 1.05 -0.04 -1.26 -4.99 135.00 127.86 2kpw n PRO 83 Ca 0.02 -3.27 -0.11 0.00 -0.04 0.00 0.00 63.50 60.09 2kpw n PRO 83 Cb 0.13 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.28 2kpw n PRO 83 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kpw h THR 84 N 1.05 1.14 -2.87 0.52 1.35 -1.96 -3.44 112.91 108.69 2kpw h THR 84 Ca 0.60 -0.40 -0.47 0.00 -0.55 0.00 0.00 66.41 65.59 2kpw h THR 84 Cb 1.28 1.17 0.02 0.00 -1.73 0.00 0.00 68.15 68.89 2kpw h THR 84 CO 1.44 0.12 -0.13 -1.81 -0.25 0.00 0.00 175.52 174.89 2kpw s ASP 85 N -5.48 6.18 -0.22 5.36 1.11 -1.26 -4.33 116.67 118.02 2kpw s ASP 85 Ca -0.14 0.46 -0.01 0.00 0.18 0.00 0.00 52.55 53.05 2kpw s ASP 85 Cb 0.06 -1.93 0.06 0.00 1.07 0.00 0.00 42.92 42.19 2kpw s ASP 85 CO 0.69 -0.43 -0.01 -0.76 1.18 0.00 0.00 175.17 175.85 2kpw s LEU 86 N -4.43 1.93 -0.44 1.23 1.43 -0.06 -4.00 118.68 114.35 2kpw s LEU 86 Ca 0.43 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 2kpw s LEU 86 Cb -0.10 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2kpw s LEU 86 CO 0.38 -0.28 0.90 -0.63 0.23 0.00 0.00 176.35 176.95 2kpw s ILE 87 N 1.62 4.53 -0.82 -0.59 1.09 -1.02 -0.60 121.20 125.40 2kpw s ILE 87 Ca -0.03 0.80 -0.26 0.00 -1.10 0.00 0.00 60.65 60.07 2kpw s ILE 87 Cb -0.18 -4.39 0.03 0.00 -1.06 0.00 0.00 42.46 36.87 2kpw s ILE 87 CO -0.08 -0.74 1.35 0.86 -0.10 0.00 0.00 174.94 176.24 2kpw s TRP 88 N 3.60 2.34 -0.45 3.97 -0.00 0.10 -4.88 118.94 123.62 2kpw s TRP 88 Ca 0.36 -0.27 0.08 0.00 -0.00 0.00 0.00 56.10 56.27 2kpw s TRP 88 Cb -0.11 -4.63 0.53 0.00 -0.00 0.00 0.00 33.47 29.26 2kpw s TRP 88 CO 0.24 -2.04 1.41 1.63 -0.00 0.00 0.00 176.95 178.19 2kpw n LYS 89 N 9.22 3.21 0.00 5.86 5.02 -1.26 -1.21 118.16 139.00 2kpw n LYS 89 Ca 0.13 -2.10 0.12 0.00 -2.02 0.00 0.00 58.31 54.45 2kpw n LYS 89 Cb 0.50 -1.97 0.29 0.00 -0.02 0.00 0.00 35.03 33.83 2kpw n LYS 89 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kpw n ASN 90 N 0.18 0.64 -3.72 4.39 4.13 -1.26 -4.86 115.26 114.75 2kpw n ASN 90 Ca 0.24 -0.42 -0.12 0.00 1.68 0.00 0.00 54.58 55.96 2kpw n ASN 90 Cb 0.99 0.21 -0.11 0.00 -1.54 0.00 0.00 39.78 39.33 2kpw n ASN 90 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2kpw s GLN 91 N -2.86 0.41 0.03 3.52 0.74 -1.25 -5.07 119.66 115.18 2kpw s GLN 91 Ca 0.15 0.66 -0.27 0.00 0.05 0.00 0.00 55.36 55.95 2kpw s GLN 91 Cb 0.18 0.08 -0.17 0.00 1.10 0.00 0.00 33.01 34.20 2kpw s GLN 91 CO 0.65 -0.11 1.33 -0.91 -0.55 0.00 0.00 175.29 175.69 2kpw h ASN 92 N 6.41 -0.54 -1.73 6.67 4.21 -1.90 -0.18 115.58 128.53 2kpw h ASN 92 Ca -0.33 -0.07 0.34 0.00 1.21 0.00 0.00 56.30 57.45 2kpw h ASN 92 Cb 1.18 0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 38.46 2kpw h ASN 92 CO 0.28 -0.22 0.84 -0.24 -1.29 0.00 0.00 177.43 176.80 2kpw n SER 93 N -5.28 -0.89 0.00 5.81 2.88 -1.26 -2.62 113.62 112.26 2kpw n SER 93 Ca -0.11 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 2kpw n SER 93 Cb 0.30 1.36 0.00 0.00 -0.75 0.00 0.00 64.21 65.12 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 -0.83 0.00 -3.88 0.66 2.14 -1.26 -5.05 117.44 109.21 2kpw n TRP 94 Ca 0.05 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.38 2kpw n TRP 94 Cb 0.49 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.92 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 0.57 -0.11 3.49 -1.67 0.00 -1.19 -4.93 105.19 101.35 2kpw n GLY 95 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 2kpw n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kpw s THR 96 N -3.94 -0.00 0.00 2.61 -1.32 -1.26 -4.97 115.64 106.76 2kpw s THR 96 Ca 0.06 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2kpw s THR 96 Cb -0.04 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2kpw s THR 96 CO 0.77 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.79 2kpw n GLY 97 N 3.17 1.40 3.95 6.08 0.00 -1.26 -4.87 105.19 113.67 2kpw n GLY 97 Ca -0.16 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.17 -0.14 1.61 0.41 -1.26 -4.98 118.70 115.51 2kpw s GLU 98 Ca 0.00 -0.66 -0.29 0.00 -0.41 0.00 0.00 54.97 53.61 2kpw s GLU 98 Cb 0.00 -2.06 -0.02 0.00 -1.78 0.00 0.00 34.13 30.28 2kpw s GLU 98 CO 0.00 -1.95 1.25 0.16 -0.49 0.00 0.00 175.26 174.23 2kpw s ASP 99 N -4.80 6.97 -0.04 -0.19 -4.77 -1.23 -4.89 116.67 107.71 2kpw s ASP 99 Ca 0.70 1.73 -0.29 0.00 -3.30 0.00 0.00 52.55 51.39 2kpw s ASP 99 Cb -0.05 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.21 2kpw s ASP 99 CO 0.49 -0.72 0.94 0.54 0.70 0.00 0.00 175.17 177.13 2kpw s VAL 100 N 3.16 4.87 -0.05 2.11 0.11 -1.26 -3.87 120.40 125.48 2kpw s VAL 100 Ca 0.55 1.96 -0.02 0.00 -2.93 0.00 0.00 61.98 61.53 2kpw s VAL 100 Cb -0.22 -4.27 0.03 0.00 -1.53 0.00 0.00 36.38 30.38 2kpw s VAL 100 CO 0.17 0.13 0.07 -0.75 -3.33 0.00 0.00 175.10 171.38 2kpw s LYS 101 N 1.28 -0.07 -0.05 1.54 2.20 -0.53 -3.25 119.74 120.86 2kpw s LYS 101 Ca 0.49 0.36 -0.15 0.00 -0.36 0.00 0.00 55.97 56.31 2kpw s LYS 101 Cb -0.20 -0.57 -0.05 0.00 -1.51 0.00 0.00 37.83 35.50 2kpw s LYS 101 CO 0.24 -0.35 0.39 0.08 -0.36 0.00 0.00 175.35 175.35 2kpw s VAL 102 N 2.17 5.12 -0.12 4.02 1.01 -0.52 -0.09 120.40 131.99 2kpw s VAL 102 Ca 0.05 0.79 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 2kpw s VAL 102 Cb -0.12 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2kpw s VAL 102 CO -0.03 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 174.88 2kpw s ILE 103 N -0.58 3.62 -0.30 2.22 -1.09 0.43 -2.22 121.20 123.28 2kpw s ILE 103 Ca 0.23 -0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 58.15 2kpw s ILE 103 Cb -0.16 -2.54 0.04 0.00 -1.58 0.00 0.00 42.46 38.22 2kpw s ILE 103 CO 0.11 0.53 0.01 -0.76 -1.23 0.00 0.00 174.94 173.60 2kpw s LEU 104 N 0.03 3.82 0.28 2.97 1.43 -0.49 -0.78 118.68 125.94 2kpw s LEU 104 Ca -0.01 -1.14 0.08 0.00 -1.03 0.00 0.00 54.13 52.03 2kpw s LEU 104 Cb -0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2kpw s LEU 104 CO 0.03 -0.24 0.13 -0.54 0.23 0.00 0.00 176.35 175.96 2kpw s LYS 105 N 1.31 2.62 -0.44 1.70 1.02 -0.39 -1.33 119.74 124.23 2kpw s LYS 105 Ca -0.03 -1.27 -0.01 0.00 0.02 0.00 0.00 55.97 54.68 2kpw s LYS 105 Cb -0.19 -2.37 0.12 0.00 -0.52 0.00 0.00 37.83 34.87 2kpw s LYS 105 CO -0.01 0.32 0.21 -0.80 -0.92 0.00 0.00 175.35 174.16 2kpw s ASN 106 N -3.80 5.08 0.00 2.83 -0.87 0.73 -0.32 114.94 118.59 2kpw s ASN 106 Ca 0.34 -2.27 0.00 0.00 -1.57 0.00 0.00 52.86 49.36 2kpw s ASN 106 Cb -0.06 -1.78 0.00 0.00 -0.02 0.00 0.00 41.25 39.39 2kpw s ASN 106 CO 0.23 -0.46 0.00 -0.24 -2.57 0.00 0.00 177.10 174.06 2kpw n SER 107 N 4.23 0.00 -0.07 -1.22 2.88 -1.18 -2.62 113.62 115.63 2kpw n SER 107 Ca 0.01 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.56 2kpw n SER 107 Cb 0.40 0.00 0.31 0.00 -0.75 0.00 0.00 64.21 64.17 2kpw n SER 107 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2kpw h GLN 108 N 0.00 0.69 0.00 -1.46 4.20 -1.94 -3.46 115.11 113.14 2kpw h GLN 108 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2kpw h GLN 108 Cb 0.00 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2kpw h GLN 108 CO 0.00 0.54 0.00 0.41 -0.67 0.00 0.00 178.83 179.11 2kpw n GLY 109 N -1.21 1.08 3.71 3.46 0.00 -1.08 -5.14 105.19 106.01 2kpw n GLY 109 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kpw n GLU 110 N 0.00 1.06 -5.23 1.61 0.28 -1.26 -4.66 120.64 112.44 2kpw n GLU 110 Ca 0.00 0.42 -0.30 0.00 -0.16 0.00 0.00 57.16 57.11 2kpw n GLU 110 Cb 0.00 -2.46 -0.16 0.00 1.43 0.00 0.00 31.44 30.25 2kpw n GLU 110 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kpw s GLU 111 N -3.26 2.25 -0.03 3.44 2.12 -1.26 -0.19 118.70 121.76 2kpw s GLU 111 Ca 0.82 -0.88 -0.03 0.00 0.36 0.00 0.00 54.97 55.24 2kpw s GLU 111 Cb -0.39 -2.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.97 2kpw s GLU 111 CO 0.41 0.45 -0.06 0.28 -0.54 0.00 0.00 175.26 175.80 2kpw n VAL 112 N 2.73 0.29 -4.15 3.70 0.31 -0.45 -5.00 118.33 115.76 2kpw n VAL 112 Ca -0.17 0.43 -0.10 0.00 -0.01 0.00 0.00 64.34 64.50 2kpw n VAL 112 Cb 0.52 -1.66 -0.10 0.00 -0.91 0.00 0.00 33.84 31.68 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kpw s ALA 113 N -2.98 0.88 -0.11 3.52 0.00 -1.25 -5.03 121.76 116.79 2kpw s ALA 113 Ca -0.05 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.33 2kpw s ALA 113 Cb 0.01 0.52 0.04 0.00 0.00 0.00 0.00 23.12 23.69 2kpw s ALA 113 CO 0.08 -0.38 0.44 1.14 0.00 0.00 0.00 175.76 177.03 2kpw s GLN 114 N -3.95 0.62 -0.14 0.00 -2.07 -1.26 -1.39 119.66 111.47 2kpw s GLN 114 Ca 0.17 0.37 -0.18 0.00 -1.82 0.00 0.00 55.36 53.90 2kpw s GLN 114 Cb 0.07 0.29 0.04 0.00 -1.09 0.00 0.00 33.01 32.33 2kpw s GLN 114 CO -0.02 -0.12 0.47 0.50 -1.32 0.00 0.00 175.29 174.79 2kpw s ARG 115 N -0.33 0.63 0.26 9.60 3.52 -0.94 -4.99 118.95 126.70 2kpw s ARG 115 Ca -0.05 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 2kpw s ARG 115 Cb -0.03 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.68 2kpw s ARG 115 CO 0.03 -0.12 0.16 -1.13 -0.81 0.00 0.00 175.30 173.43 2kpw n SER 116 N 2.33 2.02 -4.10 -2.12 3.41 -1.26 -1.44 113.62 112.46 2kpw n SER 116 Ca -0.15 -1.96 -0.26 0.00 -0.26 0.00 0.00 58.87 56.23 2kpw n SER 116 Cb 0.57 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 2kpw n SER 116 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kpw n THR 117 N -1.02 0.00 -2.72 6.66 -2.24 -1.20 -4.79 114.28 108.96 2kpw n THR 117 Ca -0.03 -2.05 -0.35 0.00 -2.27 0.00 0.00 64.05 59.36 2kpw n THR 117 Cb 0.31 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 2kpw n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kpw s VAL 118 N -2.64 4.14 -0.05 2.28 1.01 -1.26 -4.91 120.40 118.97 2kpw s VAL 118 Ca 0.04 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 2kpw s VAL 118 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2kpw s VAL 118 CO 0.03 -0.16 1.08 -0.36 0.00 0.00 0.00 175.10 175.69 2kpw s PHE 119 N -1.95 3.44 -0.13 5.22 0.40 -1.26 -5.04 117.98 118.67 2kpw s PHE 119 Ca 0.60 1.47 -0.03 0.00 -0.60 0.00 0.00 56.93 58.37 2kpw s PHE 119 Cb -0.14 -3.27 -0.03 0.00 0.51 0.00 0.00 43.02 40.09 2kpw s PHE 119 CO 0.19 -0.62 -0.02 0.15 0.70 0.00 0.00 175.22 175.61 2kpw s LYS 120 N 1.75 3.42 -1.16 0.44 3.01 -1.26 -5.05 119.74 120.89 2kpw s LYS 120 Ca 0.52 -0.48 -0.21 0.00 -1.01 0.00 0.00 55.97 54.79 2kpw s LYS 120 Cb -0.22 -2.87 0.02 0.00 -1.01 0.00 0.00 37.83 33.75 2kpw s LYS 120 CO 0.22 0.41 1.72 0.99 0.51 0.00 0.00 175.35 179.21 2kpw s THR 121 N -0.08 3.89 0.00 2.17 2.01 -1.26 -5.00 115.64 117.36 2kpw s THR 121 Ca 0.03 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.76 2kpw s THR 121 Cb -0.13 -4.92 0.00 0.00 0.01 0.00 0.00 72.50 67.46 2kpw s THR 121 CO 0.02 -1.69 0.00 1.07 -0.69 0.00 0.00 174.62 173.33