#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw s GLY 2 N 0.00 1.23 0.15 3.17 0.00 -1.26 -4.98 107.32 105.63 2kpw s GLY 2 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.53 2kpw s GLY 2 CO 0.00 3.24 0.03 -2.38 0.00 0.00 0.00 173.10 173.99 2kpw s HIS 3 N 5.26 1.02 -0.82 1.90 -0.00 -1.26 -5.08 115.29 116.32 2kpw s HIS 3 Ca 0.80 -1.14 -0.25 0.00 -0.00 0.00 0.00 55.06 54.47 2kpw s HIS 3 Cb -0.32 -0.58 -0.07 0.00 -0.00 0.00 0.00 32.58 31.61 2kpw s HIS 3 CO 0.33 -0.38 2.08 -1.01 -0.00 0.00 0.00 174.74 175.76 2kpw s HIS 4 N -3.87 1.57 -0.06 0.38 3.76 -1.26 -4.94 115.29 110.88 2kpw s HIS 4 Ca 0.24 1.06 -0.28 0.00 -0.15 0.00 0.00 55.06 55.93 2kpw s HIS 4 Cb 0.07 -3.87 -0.03 0.00 1.11 0.00 0.00 32.58 29.87 2kpw s HIS 4 CO 0.03 -1.81 0.89 -1.58 -0.85 0.00 0.00 174.74 171.42 2kpw s HIS 5 N 11.31 3.58 0.50 1.40 2.46 -1.26 -5.06 115.29 128.22 2kpw s HIS 5 Ca 0.77 1.50 0.07 0.00 0.47 0.00 0.00 55.06 57.88 2kpw s HIS 5 Cb -0.10 -3.04 0.03 0.00 -0.13 0.00 0.00 32.58 29.35 2kpw s HIS 5 CO 0.06 -0.05 0.49 -1.01 -2.47 0.00 0.00 174.74 171.75 2kpw s HIS 6 N 1.29 1.99 -0.05 3.88 3.76 -1.26 -5.13 115.29 119.77 2kpw s HIS 6 Ca 0.46 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 2kpw s HIS 6 Cb -0.19 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 2kpw s HIS 6 CO 0.21 -0.51 -0.02 -3.38 -0.85 0.00 0.00 174.74 170.19 2kpw s HIS 7 N -2.63 3.06 -0.21 1.40 -3.43 -1.26 -4.32 115.29 107.90 2kpw s HIS 7 Ca 0.46 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.82 2kpw s HIS 7 Cb -0.04 -1.72 0.00 0.00 -1.43 0.00 0.00 32.58 29.39 2kpw s HIS 7 CO 0.28 0.43 0.00 0.72 -2.00 0.00 0.00 174.74 174.17 2kpw n HIS 8 N 1.89 0.00 -2.57 0.38 -0.00 -1.26 -4.96 115.22 108.70 2kpw n HIS 8 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.14 2kpw n HIS 8 Cb 0.53 -1.29 -0.03 0.00 -0.00 0.00 0.00 29.99 29.20 2kpw n HIS 8 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2kpw s SER 9 N -2.15 6.41 -0.07 0.41 1.04 -1.26 -4.95 113.70 113.13 2kpw s SER 9 Ca 0.00 -1.18 -0.03 0.00 0.48 0.00 0.00 55.95 55.22 2kpw s SER 9 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.60 2kpw s SER 9 CO 0.00 -1.59 0.15 -1.00 0.98 0.00 0.00 173.24 171.78 2kpw s HIS 10 N 5.13 -0.15 0.03 5.02 0.09 -1.26 -5.01 115.29 119.13 2kpw s HIS 10 Ca 0.42 0.54 0.05 0.00 -0.00 0.00 0.00 55.06 56.07 2kpw s HIS 10 Cb -0.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 32.58 32.32 2kpw s HIS 10 CO -0.03 -0.23 -0.14 -1.64 -0.00 0.00 0.00 174.74 172.70 2kpw s MET 11 N 1.92 0.98 0.00 1.40 1.00 -1.26 -5.11 119.30 118.23 2kpw s MET 11 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 55.69 54.99 2kpw s MET 11 Cb -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 34.83 33.73 2kpw s MET 11 CO -0.06 0.25 0.24 0.25 0.00 0.00 0.00 175.02 175.70 2kpw n THR 12 N 2.10 0.00 -3.16 2.05 -2.24 -1.26 -4.94 114.28 106.83 2kpw n THR 12 Ca -0.17 0.59 0.03 0.00 -2.27 0.00 0.00 64.05 62.23 2kpw n THR 12 Cb 0.55 -1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.49 2kpw n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kpw s GLY 13 N -1.26 -1.16 -0.23 3.38 0.00 -1.26 -4.93 107.32 101.86 2kpw s GLY 13 Ca 0.00 1.13 -0.03 0.00 0.00 0.00 0.00 44.72 45.82 2kpw s GLY 13 CO 0.00 3.58 -0.23 1.16 0.00 0.00 0.00 173.10 177.61 2kpw n ASN 14 N 5.42 2.09 -4.52 1.64 6.94 -1.26 -4.89 115.26 120.68 2kpw n ASN 14 Ca 0.04 0.01 -0.42 0.00 -0.02 0.00 0.00 54.58 54.18 2kpw n ASN 14 Cb 0.53 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.45 2kpw n ASN 14 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2kpw s VAL 15 N -2.44 4.17 0.12 3.53 1.01 -1.26 -0.82 120.40 124.71 2kpw s VAL 15 Ca -0.31 0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.97 2kpw s VAL 15 Cb 0.09 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2kpw s VAL 15 CO 0.48 -1.41 -0.25 0.00 0.00 0.00 0.00 175.10 173.92 2kpw s ILE 17 N -1.08 2.32 -0.09 0.00 1.01 -1.26 -0.48 121.20 121.62 2kpw s ILE 17 Ca 0.12 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 2kpw s ILE 17 Cb -0.10 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 2kpw s ILE 17 CO 0.05 0.03 -0.06 -0.08 0.00 0.00 0.00 174.94 174.88 2kpw h GLU 18 N 5.99 0.00 -2.88 2.79 4.81 -1.10 -3.45 114.58 120.75 2kpw h GLU 18 Ca -0.44 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.64 2kpw h GLU 18 Cb 1.21 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.33 2kpw h GLU 18 CO 0.87 0.00 -0.34 -2.00 -0.73 0.00 0.00 179.01 176.81 2kpw s GLU 19 N -1.65 0.37 0.10 1.92 2.12 -1.12 -5.06 118.70 115.38 2kpw s GLU 19 Ca -0.05 0.54 -0.08 0.00 0.36 0.00 0.00 54.97 55.74 2kpw s GLU 19 Cb 0.01 0.11 -0.06 0.00 0.26 0.00 0.00 34.13 34.45 2kpw s GLU 19 CO 0.07 -0.08 0.40 0.42 -0.54 0.00 0.00 175.26 175.52 2kpw s ILE 20 N 0.57 5.11 0.14 -3.70 1.01 -1.26 -1.78 121.20 121.29 2kpw s ILE 20 Ca -0.03 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.63 2kpw s ILE 20 Cb -0.05 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 2kpw s ILE 20 CO -0.03 0.20 1.50 -0.62 0.00 0.00 0.00 174.94 175.99 2kpw s ASP 21 N -1.97 6.68 0.39 3.58 2.15 -0.02 -4.74 116.67 122.74 2kpw s ASP 21 Ca 0.36 2.50 0.21 0.00 0.43 0.00 0.00 52.55 56.05 2kpw s ASP 21 Cb -0.13 -2.59 0.57 0.00 -0.30 0.00 0.00 42.92 40.47 2kpw s ASP 21 CO 0.20 -0.76 1.67 1.62 -0.17 0.00 0.00 175.17 177.73 2kpw h VAL 22 N 4.13 0.55 0.02 1.11 3.04 -1.89 -3.04 116.25 120.17 2kpw h VAL 22 Ca -0.42 -1.44 -0.21 0.00 -1.01 0.00 0.00 66.70 63.62 2kpw h VAL 22 Cb 1.21 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 32.48 2kpw h VAL 22 CO 0.90 0.27 -0.95 -0.78 -1.01 0.00 0.00 177.57 176.00 2kpw h ASP 23 N 0.00 0.21 0.00 3.17 3.58 -1.92 -3.49 116.42 117.97 2kpw h ASP 23 Ca -0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.26 2kpw h ASP 23 Cb 0.99 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2kpw h ASP 23 CO 0.04 1.04 0.00 0.61 -2.88 0.00 0.00 179.24 178.04 2kpw n GLY 24 N 1.05 0.91 0.00 -0.78 0.00 -1.15 -4.75 105.19 100.47 2kpw n GLY 24 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.27 -3.57 1.61 5.02 -1.26 -2.17 118.16 120.06 2kpw n LYS 25 Ca 0.00 -0.09 -0.08 0.00 -2.02 0.00 0.00 58.31 56.11 2kpw n LYS 25 Cb 0.00 -0.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.35 -0.35 -0.13 2.13 -0.12 -1.26 -0.96 117.98 116.94 2kpw s PHE 26 Ca 0.00 0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 56.97 2kpw s PHE 26 Cb 0.00 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 43.02 2kpw s PHE 26 CO 0.00 -0.79 0.01 0.42 -0.05 0.00 0.00 175.22 174.81 2kpw s ILE 27 N -3.47 0.50 -0.42 -4.49 1.01 0.77 -0.84 121.20 114.26 2kpw s ILE 27 Ca 0.06 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 2kpw s ILE 27 Cb -0.02 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.67 2kpw s ILE 27 CO -0.06 0.06 0.51 -0.60 0.00 0.00 0.00 174.94 174.85 2kpw s ARG 28 N 1.90 3.19 0.08 2.79 3.52 -0.74 0.04 118.95 129.74 2kpw s ARG 28 Ca 0.02 -0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 54.93 2kpw s ARG 28 Cb -0.14 -3.95 -0.06 0.00 -1.56 0.00 0.00 34.95 29.24 2kpw s ARG 28 CO -0.07 -0.89 0.40 -0.51 -0.81 0.00 0.00 175.30 173.42 2kpw s LEU 29 N 2.39 4.34 -0.11 -0.88 1.02 0.54 -0.50 118.68 125.48 2kpw s LEU 29 Ca 0.16 0.79 0.02 0.00 0.02 0.00 0.00 54.13 55.12 2kpw s LEU 29 Cb -0.16 -3.00 0.01 0.00 0.02 0.00 0.00 46.19 43.06 2kpw s LEU 29 CO 0.15 0.16 -0.15 -0.75 0.02 0.00 0.00 176.35 175.79 2kpw s LYS 30 N -1.94 2.15 0.03 1.70 2.20 0.37 -0.16 119.74 124.10 2kpw s LYS 30 Ca 0.33 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 2kpw s LYS 30 Cb -0.14 -1.84 -0.06 0.00 -1.51 0.00 0.00 37.83 34.28 2kpw s LYS 30 CO 0.18 -0.07 1.31 1.21 -0.36 0.00 0.00 175.35 177.63 2kpw s ASN 31 N 0.99 6.94 0.08 1.43 2.47 -0.17 -2.20 114.94 124.48 2kpw s ASN 31 Ca -0.07 2.08 0.23 0.00 0.42 0.00 0.00 52.86 55.52 2kpw s ASN 31 Cb -0.15 -2.57 0.04 0.00 -1.45 0.00 0.00 41.25 37.12 2kpw s ASN 31 CO -0.02 -0.61 1.02 0.35 -3.72 0.00 0.00 177.10 174.12 2kpw n THR 32 N 4.30 0.25 -2.23 -5.21 -2.24 0.00 -2.97 114.28 106.18 2kpw n THR 32 Ca 0.11 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 2kpw n THR 32 Cb 0.45 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 2kpw n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kpw s SER 33 N -4.25 6.92 -0.01 3.42 1.04 -1.26 -4.85 113.70 114.70 2kpw s SER 33 Ca 0.02 2.39 0.00 0.00 0.48 0.00 0.00 55.95 58.84 2kpw s SER 33 Cb 0.13 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.67 2kpw s SER 33 CO 0.80 -0.51 0.79 -0.62 0.98 0.00 0.00 173.24 174.68 2kpw n GLU 34 N 2.57 1.08 -3.79 4.02 1.02 -1.26 -3.80 120.64 120.48 2kpw n GLU 34 Ca 0.06 -0.10 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 2kpw n GLU 34 Cb 0.43 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.57 0.43 -0.40 3.49 0.74 -1.26 -4.85 119.66 117.24 2kpw s GLN 35 Ca 0.02 0.14 -0.27 0.00 0.05 0.00 0.00 55.36 55.30 2kpw s GLN 35 Cb 0.01 0.20 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 2kpw s GLN 35 CO 0.00 -0.08 2.17 -0.51 -0.55 0.00 0.00 175.29 176.32 2kpw s ASP 36 N -0.41 5.11 -0.15 6.67 1.11 -1.26 -4.36 116.67 123.37 2kpw s ASP 36 Ca -0.05 1.26 -0.08 0.00 0.18 0.00 0.00 52.55 53.86 2kpw s ASP 36 Cb -0.04 -2.51 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 2kpw s ASP 36 CO 0.01 -2.33 0.11 -1.10 1.18 0.00 0.00 175.17 173.05 2kpw s GLN 37 N 7.06 3.74 0.00 8.23 -1.52 0.17 -4.89 119.66 132.46 2kpw s GLN 37 Ca 0.91 -0.21 -0.04 0.00 -1.95 0.00 0.00 55.36 54.07 2kpw s GLN 37 Cb -0.22 -3.24 -0.20 0.00 -0.22 0.00 0.00 33.01 29.13 2kpw s GLN 37 CO 0.29 0.53 3.02 -0.35 -0.25 0.00 0.00 175.29 178.53 2kpw n PRO 38 N 2.75 1.62 0.00 2.91 -0.04 -1.26 0.04 135.00 141.02 2kpw n PRO 38 Ca -0.18 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 2kpw n PRO 38 Cb 0.53 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 2kpw n PRO 38 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2kpw n MET 39 N 2.36 0.00 -0.24 0.54 0.00 -1.26 -4.56 117.12 113.95 2kpw n MET 39 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.01 2kpw n MET 39 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.97 2kpw n MET 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kpw n GLY 40 N 0.00 0.72 1.56 -5.12 0.00 -1.26 -4.79 105.19 96.31 2kpw n GLY 40 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.10 -3.19 3.69 -0.02 0.00 -1.26 -4.65 105.19 97.66 2kpw n GLY 41 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.07 2.03 -0.10 1.61 0.52 -1.26 -1.39 118.94 120.28 2kpw s TRP 42 Ca -0.03 -0.91 -0.04 0.00 0.02 0.00 0.00 56.10 55.14 2kpw s TRP 42 Cb 0.00 -1.60 0.05 0.00 -1.15 0.00 0.00 33.47 30.77 2kpw s TRP 42 CO 0.08 0.23 0.21 -2.00 0.02 0.00 0.00 176.95 175.50 2kpw s GLU 43 N -3.82 0.12 -0.31 4.98 2.12 -0.07 -0.82 118.70 120.90 2kpw s GLU 43 Ca 0.16 0.61 -0.12 0.00 0.36 0.00 0.00 54.97 55.98 2kpw s GLU 43 Cb 0.04 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 2kpw s GLU 43 CO 0.08 -0.25 0.22 1.41 -0.54 0.00 0.00 175.26 176.18 2kpw s MET 44 N 2.01 3.69 -0.43 4.30 -2.45 0.58 -1.24 119.30 125.76 2kpw s MET 44 Ca -0.01 -0.51 -0.11 0.00 -1.25 0.00 0.00 55.69 53.81 2kpw s MET 44 Cb -0.12 -3.75 0.07 0.00 1.25 0.00 0.00 34.83 32.29 2kpw s MET 44 CO -0.07 -0.33 0.29 0.42 1.05 0.00 0.00 175.02 176.38 2kpw s ILE 45 N 1.74 4.57 -0.50 10.11 1.09 0.27 0.12 121.20 138.60 2kpw s ILE 45 Ca 0.07 -1.24 -0.27 0.00 -1.10 0.00 0.00 60.65 58.10 2kpw s ILE 45 Cb -0.17 -3.75 0.03 0.00 -1.06 0.00 0.00 42.46 37.51 2kpw s ILE 45 CO 0.11 -0.50 1.06 -0.60 -0.10 0.00 0.00 174.94 174.90 2kpw s ARG 46 N 1.50 3.59 -0.01 2.79 3.52 0.10 -0.72 118.95 129.73 2kpw s ARG 46 Ca 0.03 0.30 0.06 0.00 -0.13 0.00 0.00 55.73 56.00 2kpw s ARG 46 Cb -0.23 -3.95 -0.03 0.00 -1.56 0.00 0.00 34.95 29.19 2kpw s ARG 46 CO 0.04 -1.39 -0.20 0.15 -0.81 0.00 0.00 175.30 173.09 2kpw s LYS 47 N 4.26 2.20 0.00 5.12 1.02 -1.09 -2.11 119.74 129.15 2kpw s LYS 47 Ca 0.42 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.53 2kpw s LYS 47 Cb -0.09 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2kpw s LYS 47 CO 0.28 0.57 0.00 1.51 -0.92 0.00 0.00 175.35 176.79 2kpw n ILE 48 N 2.10 0.00 -0.89 2.17 3.06 -1.26 -0.56 119.36 123.99 2kpw n ILE 48 Ca -0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 2kpw n ILE 48 Cb 0.52 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.70 2kpw n ILE 48 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kpw n GLY 49 N -1.29 2.14 0.00 4.50 0.00 -1.26 -4.96 105.19 104.32 2kpw n GLY 49 Ca 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 0.00 -3.94 1.61 9.92 -1.26 -4.83 116.55 118.05 2kpw n ASP 50 Ca 0.00 -1.78 -0.10 0.00 -0.53 0.00 0.00 54.79 52.38 2kpw n ASP 50 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.00 0.05 0.25 -3.53 -1.32 -1.26 -5.19 115.64 102.64 2kpw s THR 51 Ca 0.07 -1.31 0.05 0.00 -1.21 0.00 0.00 61.69 59.29 2kpw s THR 51 Cb 0.03 -1.88 -0.05 0.00 -1.51 0.00 0.00 72.50 69.09 2kpw s THR 51 CO 0.05 -0.21 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.26 2kpw s SER 52 N -2.97 2.32 -0.17 8.08 1.04 -1.26 -4.16 113.70 116.59 2kpw s SER 52 Ca 0.17 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 2kpw s SER 52 Cb 0.02 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.11 2kpw s SER 52 CO 0.01 -0.39 0.41 0.54 0.98 0.00 0.00 173.24 174.79 2kpw s VAL 53 N -3.19 -0.02 0.28 5.02 0.11 -0.90 -5.00 120.40 116.71 2kpw s VAL 53 Ca 0.28 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.46 2kpw s VAL 53 Cb 0.04 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2kpw s VAL 53 CO 0.09 0.03 0.27 -0.44 -3.33 0.00 0.00 175.10 171.72 2kpw s SER 54 N 1.08 5.57 -0.09 3.54 0.01 -1.26 0.02 113.70 122.57 2kpw s SER 54 Ca -0.07 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 56.87 2kpw s SER 54 Cb -0.07 -1.30 0.05 0.00 0.21 0.00 0.00 66.02 64.91 2kpw s SER 54 CO -0.09 -0.17 0.15 -0.47 0.41 0.00 0.00 173.24 173.06 2kpw s TYR 55 N -2.18 -0.13 -0.21 2.43 5.04 0.12 -4.95 117.35 117.46 2kpw s TYR 55 Ca 0.37 0.50 -0.18 0.00 -2.44 0.00 0.00 57.07 55.31 2kpw s TYR 55 Cb -0.07 -0.32 -0.03 0.00 0.35 0.00 0.00 41.96 41.89 2kpw s TYR 55 CO 0.26 -0.29 0.52 0.21 -1.34 0.00 0.00 175.55 174.92 2kpw s LYS 56 N 2.27 4.17 1.07 4.97 2.20 -1.26 -0.31 119.74 132.85 2kpw s LYS 56 Ca 0.04 0.41 -0.17 0.00 -0.36 0.00 0.00 55.97 55.88 2kpw s LYS 56 Cb -0.12 -3.58 0.24 0.00 -1.51 0.00 0.00 37.83 32.85 2kpw s LYS 56 CO -0.06 -0.19 1.20 0.71 -0.36 0.00 0.00 175.35 176.65 2kpw s TYR 57 N 1.78 1.16 0.29 4.03 1.51 0.00 -4.99 117.35 121.13 2kpw s TYR 57 Ca 0.24 0.46 0.06 0.00 -1.01 0.00 0.00 57.07 56.82 2kpw s TYR 57 Cb -0.15 -3.72 -0.06 0.00 -0.11 0.00 0.00 41.96 37.91 2kpw s TYR 57 CO 0.09 -3.21 -0.04 -0.08 -1.11 0.00 0.00 175.55 171.20 2kpw s THR 58 N -3.40 1.60 -1.31 -0.71 -1.32 -1.26 -4.64 115.64 104.59 2kpw s THR 58 Ca 0.71 -2.10 0.16 0.00 -1.21 0.00 0.00 61.69 59.25 2kpw s THR 58 Cb -0.08 -2.53 0.46 0.00 -1.51 0.00 0.00 72.50 68.83 2kpw s THR 58 CO 0.54 -0.24 1.38 -0.24 -2.21 0.00 0.00 174.62 173.86 2kpw n SER 59 N -0.62 3.41 -0.03 8.08 2.88 -1.26 -4.56 113.62 121.52 2kpw n SER 59 Ca -0.05 -2.04 -0.03 0.00 -1.33 0.00 0.00 58.87 55.42 2kpw n SER 59 Cb 0.64 -0.35 0.21 0.00 -0.75 0.00 0.00 64.21 63.96 2kpw n SER 59 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2kpw h ARG 60 N 2.96 0.60 -5.95 -1.46 0.11 -1.97 -3.44 114.38 105.24 2kpw h ARG 60 Ca 0.00 -0.17 -0.63 0.00 0.10 0.00 0.00 59.98 59.28 2kpw h ARG 60 Cb 0.87 -0.06 -0.05 0.00 1.11 0.00 0.00 29.97 31.84 2kpw h ARG 60 CO 0.01 0.69 -0.52 1.52 0.10 0.00 0.00 179.97 181.77 2kpw s TYR 61 N -4.81 3.45 -0.22 4.08 -0.85 -1.26 -5.10 117.35 112.64 2kpw s TYR 61 Ca -0.08 0.23 -0.09 0.00 -0.52 0.00 0.00 57.07 56.62 2kpw s TYR 61 Cb 0.15 -1.75 -0.04 0.00 0.38 0.00 0.00 41.96 40.70 2kpw s TYR 61 CO 0.79 0.59 0.11 0.08 -1.52 0.00 0.00 175.55 175.59 2kpw s VAL 62 N -1.44 4.96 -0.84 -3.49 1.01 -1.26 -4.34 120.40 115.00 2kpw s VAL 62 Ca 0.32 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 2kpw s VAL 62 Cb -0.13 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.01 2kpw s VAL 62 CO 0.25 0.39 1.32 -0.76 0.00 0.00 0.00 175.10 176.30 2kpw s LEU 63 N 0.88 3.37 1.03 3.92 2.01 0.11 -4.91 118.68 125.09 2kpw s LEU 63 Ca 0.05 -0.85 -0.12 0.00 0.01 0.00 0.00 54.13 53.22 2kpw s LEU 63 Cb -0.13 -2.55 0.20 0.00 0.01 0.00 0.00 46.19 43.72 2kpw s LEU 63 CO 0.03 -1.69 1.08 -0.54 1.01 0.00 0.00 176.35 176.23 2kpw s LYS 64 N 5.34 0.19 -0.30 1.70 1.02 -1.26 -0.65 119.74 125.78 2kpw s LYS 64 Ca 0.38 0.66 -0.28 0.00 0.02 0.00 0.00 55.97 56.76 2kpw s LYS 64 Cb -0.06 -1.70 -0.06 0.00 -0.52 0.00 0.00 37.83 35.50 2kpw s LYS 64 CO 0.06 -2.93 2.28 0.00 -0.92 0.00 0.00 175.35 173.84 2kpw n ALA 65 N -4.33 1.50 -0.64 5.17 0.00 -1.26 -1.05 120.51 119.89 2kpw n ALA 65 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2kpw n ALA 65 Cb 0.56 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2kpw n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpw n GLY 66 N 5.86 0.78 3.68 0.00 0.00 -1.16 -5.00 105.19 109.36 2kpw n GLY 66 Ca 0.32 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.85 2kpw n GLY 66 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kpw n GLN 67 N -2.17 2.09 -3.25 1.61 -0.06 -0.22 -4.41 117.38 110.97 2kpw n GLN 67 Ca 0.00 0.76 -0.42 0.00 -2.00 0.00 0.00 57.00 55.35 2kpw n GLN 67 Cb 0.00 -2.59 -0.08 0.00 -4.06 0.00 0.00 30.24 23.51 2kpw n GLN 67 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2kpw s THR 68 N 3.76 5.01 -0.17 1.69 -4.23 -1.26 -1.00 115.64 119.45 2kpw s THR 68 Ca 0.92 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 61.50 2kpw s THR 68 Cb -0.72 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.08 2kpw s THR 68 CO 0.52 -0.32 -0.04 0.68 -0.54 0.00 0.00 174.62 174.92 2kpw s VAL 69 N 2.38 3.83 -0.26 2.29 -7.23 0.78 -4.93 120.40 117.25 2kpw s VAL 69 Ca 0.17 -0.37 -0.07 0.00 -1.81 0.00 0.00 61.98 59.90 2kpw s VAL 69 Cb -0.16 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2kpw s VAL 69 CO 0.14 0.48 0.07 -0.89 -0.31 0.00 0.00 175.10 174.59 2kpw s THR 70 N 0.53 4.18 -0.57 5.32 2.01 -1.25 -0.34 115.64 125.52 2kpw s THR 70 Ca -0.03 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 2kpw s THR 70 Cb -0.14 -3.01 0.04 0.00 0.01 0.00 0.00 72.50 69.41 2kpw s THR 70 CO 0.03 0.27 0.96 -0.63 -0.69 0.00 0.00 174.62 174.55 2kpw s ILE 71 N 1.58 4.36 0.46 1.82 -1.09 0.11 -1.08 121.20 127.35 2kpw s ILE 71 Ca 0.05 0.20 -0.06 0.00 -2.23 0.00 0.00 60.65 58.61 2kpw s ILE 71 Cb -0.16 -4.57 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 2kpw s ILE 71 CO 0.03 -1.18 0.77 0.26 -1.23 0.00 0.00 174.94 173.58 2kpw s TRP 72 N 4.02 3.55 0.82 3.97 0.52 0.95 -0.16 118.94 132.60 2kpw s TRP 72 Ca 0.29 0.82 -0.09 0.00 0.02 0.00 0.00 56.10 57.15 2kpw s TRP 72 Cb -0.13 -2.30 0.14 0.00 -1.15 0.00 0.00 33.47 30.03 2kpw s TRP 72 CO 0.18 -0.23 1.14 0.00 0.02 0.00 0.00 176.95 178.06 2kpw s ALA 73 N -2.66 2.93 0.63 0.98 0.00 -0.13 0.14 121.76 123.65 2kpw s ALA 73 Ca 0.47 -1.29 0.32 0.00 0.00 0.00 0.00 51.96 51.46 2kpw s ALA 73 Cb -0.10 -2.49 1.75 0.00 0.00 0.00 0.00 23.12 22.27 2kpw s ALA 73 CO 0.42 -1.84 2.04 0.00 0.00 0.00 0.00 175.76 176.39 2kpw h ALA 74 N -1.03 1.55 -0.96 0.00 0.00 -1.40 0.28 119.26 117.71 2kpw h ALA 74 Ca -0.42 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.00 2kpw h ALA 74 Cb 1.27 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.78 2kpw h ALA 74 CO 0.45 -0.32 0.62 0.09 0.00 0.00 0.00 179.25 180.08 2kpw n ASN 75 N -3.32 3.81 0.04 0.00 3.02 -1.26 -4.74 115.26 112.80 2kpw n ASN 75 Ca 0.00 -3.54 -0.12 0.00 -0.03 0.00 0.00 54.58 50.89 2kpw n ASN 75 Cb 0.36 -0.82 -0.08 0.00 -0.61 0.00 0.00 39.78 38.62 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 1.14 -0.85 0.00 5.41 0.00 -1.21 -3.47 119.26 120.28 2kpw h ALA 76 Ca 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2kpw h ALA 76 Cb 2.79 0.87 0.00 0.00 0.00 0.00 0.00 17.79 21.45 2kpw h ALA 76 CO 1.06 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2kpw n GLY 77 N -1.36 2.65 3.83 0.00 0.00 -1.26 -5.00 105.19 104.05 2kpw n GLY 77 Ca -0.06 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.62 2.76 1.07 1.61 -7.23 -1.26 -5.05 120.40 111.68 2kpw s VAL 78 Ca 0.00 0.25 -0.13 0.00 -1.81 0.00 0.00 61.98 60.29 2kpw s VAL 78 Cb 0.00 -3.07 0.23 0.00 0.56 0.00 0.00 36.38 34.10 2kpw s VAL 78 CO 0.00 -0.32 1.07 0.28 -0.31 0.00 0.00 175.10 175.82 2kpw s THR 79 N -3.28 1.99 -0.90 5.32 -1.32 -1.26 -4.88 115.64 111.32 2kpw s THR 79 Ca 0.61 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.85 2kpw s THR 79 Cb -0.13 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.50 2kpw s THR 79 CO 0.53 0.00 1.68 0.00 -2.21 0.00 0.00 174.62 174.61 2kpw s ALA 80 N -2.81 2.24 -0.26 11.08 0.00 -1.26 -4.55 121.76 126.21 2kpw s ALA 80 Ca 0.67 -1.68 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2kpw s ALA 80 Cb -0.21 -4.49 0.02 0.00 0.00 0.00 0.00 23.12 18.45 2kpw s ALA 80 CO 0.60 -4.09 0.12 0.43 0.00 0.00 0.00 175.76 172.81 2kpw n SER 81 N 11.40 -4.49 -0.32 0.00 7.64 -1.26 -4.92 113.62 121.67 2kpw n SER 81 Ca 0.31 1.41 0.08 0.00 1.01 0.00 0.00 58.87 61.68 2kpw n SER 81 Cb 0.49 -5.34 0.25 0.00 -1.01 0.00 0.00 64.21 58.60 2kpw n SER 81 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2kpw h PRO 82 N 3.56 0.74 -5.59 1.43 0.11 -1.80 -3.45 132.00 126.99 2kpw h PRO 82 Ca -0.27 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 65.17 2kpw h PRO 82 Cb 0.60 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 31.46 2kpw h PRO 82 CO 0.06 0.49 -0.41 -1.25 -0.21 0.00 0.00 178.00 176.68 2kpw s PRO 83 N -5.95 3.83 0.00 1.05 0.04 -1.26 -5.10 135.00 127.61 2kpw s PRO 83 Ca -0.12 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 60.90 2kpw s PRO 83 Cb 0.22 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2kpw s PRO 83 CO 0.79 0.56 0.00 -2.37 0.04 0.00 0.00 177.00 176.02 2kpw n THR 84 N 2.59 0.00 -2.91 1.26 5.66 -1.26 -5.04 114.28 114.58 2kpw n THR 84 Ca -0.17 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.41 2kpw n THR 84 Cb 0.53 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.27 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 -1.83 6.62 -0.40 1.09 1.11 -1.26 -3.81 116.67 118.19 2kpw s ASP 85 Ca 0.00 0.50 -0.20 0.00 0.18 0.00 0.00 52.55 53.03 2kpw s ASP 85 Cb 0.00 -2.42 0.01 0.00 1.07 0.00 0.00 42.92 41.58 2kpw s ASP 85 CO 0.00 -0.74 0.59 -0.76 1.18 0.00 0.00 175.17 175.44 2kpw s LEU 86 N 3.16 4.45 -0.82 1.23 1.43 -0.24 -4.34 118.68 123.56 2kpw s LEU 86 Ca 0.33 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 52.98 2kpw s LEU 86 Cb -0.13 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.47 2kpw s LEU 86 CO 0.16 -0.65 1.27 -0.63 0.23 0.00 0.00 176.35 176.73 2kpw s ILE 87 N 2.62 3.94 -1.03 -0.59 1.09 -1.26 -0.04 121.20 125.94 2kpw s ILE 87 Ca 0.21 -0.18 -0.23 0.00 -1.10 0.00 0.00 60.65 59.34 2kpw s ILE 87 Cb -0.15 -4.91 -0.04 0.00 -1.06 0.00 0.00 42.46 36.30 2kpw s ILE 87 CO 0.16 -1.80 1.88 0.86 -0.10 0.00 0.00 174.94 175.95 2kpw s TRP 88 N 5.05 1.99 -2.00 3.97 -0.00 0.12 -4.79 118.94 123.28 2kpw s TRP 88 Ca 0.36 0.29 0.09 0.00 -0.00 0.00 0.00 56.10 56.84 2kpw s TRP 88 Cb -0.07 -4.14 0.52 0.00 -0.00 0.00 0.00 33.47 29.78 2kpw s TRP 88 CO 0.05 -1.60 1.34 1.63 -0.00 0.00 0.00 176.95 178.38 2kpw n LYS 89 N 8.65 1.01 0.19 5.86 5.02 -1.26 -2.59 118.16 135.05 2kpw n LYS 89 Ca 0.41 -0.02 0.05 0.00 -2.02 0.00 0.00 58.31 56.73 2kpw n LYS 89 Cb 0.47 -1.14 0.38 0.00 -0.02 0.00 0.00 35.03 34.72 2kpw n LYS 89 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2kpw h ASN 90 N 0.04 0.00 -5.00 4.39 -0.26 -1.97 -3.46 115.58 109.31 2kpw h ASN 90 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 2kpw h ASN 90 Cb 0.01 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.13 2kpw h ASN 90 CO 0.00 0.37 0.18 -1.58 -1.06 0.00 0.00 177.43 175.34 2kpw s GLN 91 N -3.83 1.19 0.04 0.81 0.74 -1.25 -5.11 119.66 112.25 2kpw s GLN 91 Ca -0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.13 2kpw s GLN 91 Cb 0.12 0.55 0.01 0.00 1.10 0.00 0.00 33.01 34.79 2kpw s GLN 91 CO 0.69 -0.48 0.04 0.09 -0.55 0.00 0.00 175.29 175.08 2kpw n ASN 92 N 0.03 -0.58 -2.89 6.67 3.02 -1.26 -3.01 115.26 117.25 2kpw n ASN 92 Ca -0.18 -0.74 -0.09 0.00 -0.03 0.00 0.00 54.58 53.54 2kpw n ASN 92 Cb 0.62 -0.03 0.08 0.00 -0.61 0.00 0.00 39.78 39.84 2kpw n ASN 92 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2kpw n SER 93 N -3.04 -1.67 -3.91 6.41 7.64 -1.26 -4.65 113.62 113.13 2kpw n SER 93 Ca 0.00 -0.59 -0.10 0.00 1.01 0.00 0.00 58.87 59.19 2kpw n SER 93 Cb 0.02 -0.31 -0.11 0.00 -1.01 0.00 0.00 64.21 62.80 2kpw n SER 93 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2kpw s TRP 94 N -1.54 0.11 0.00 1.43 -2.14 -0.92 -5.05 118.94 110.82 2kpw s TRP 94 Ca 0.21 -0.22 0.00 0.00 2.66 0.00 0.00 56.10 58.75 2kpw s TRP 94 Cb -0.02 -0.09 0.00 0.00 -3.10 0.00 0.00 33.47 30.25 2kpw s TRP 94 CO 0.17 -0.17 0.00 0.41 -2.66 0.00 0.00 176.95 174.70 2kpw n GLY 95 N 1.99 0.00 0.67 3.67 0.00 -1.26 -4.14 105.19 106.12 2kpw n GLY 95 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kpw n THR 96 N 0.00 0.43 0.00 2.61 5.66 -1.26 -4.86 114.28 116.86 2kpw n THR 96 Ca 0.00 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 2kpw n THR 96 Cb 0.00 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 2kpw n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kpw n GLY 97 N 0.19 2.02 3.86 1.09 0.00 -1.26 -4.99 105.19 106.09 2kpw n GLY 97 Ca 0.05 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 3.91 0.10 1.61 0.41 -1.26 -5.05 118.70 118.42 2kpw s GLU 98 Ca 0.00 0.56 -0.31 0.00 -0.41 0.00 0.00 54.97 54.81 2kpw s GLU 98 Cb 0.00 -2.44 -0.07 0.00 -1.78 0.00 0.00 34.13 29.84 2kpw s GLU 98 CO 0.00 0.11 1.30 0.16 -0.49 0.00 0.00 175.26 176.34 2kpw s ASP 99 N -2.58 6.94 -0.46 -0.19 -4.77 -1.26 -4.88 116.67 109.47 2kpw s ASP 99 Ca 0.53 2.20 -0.29 0.00 -3.30 0.00 0.00 52.55 51.69 2kpw s ASP 99 Cb -0.10 -2.58 0.01 0.00 -1.09 0.00 0.00 42.92 39.16 2kpw s ASP 99 CO 0.22 -0.56 1.38 0.54 0.70 0.00 0.00 175.17 177.46 2kpw s VAL 100 N 1.01 3.91 -0.58 2.11 0.11 -1.26 -4.77 120.40 120.92 2kpw s VAL 100 Ca 0.61 0.89 -0.22 0.00 -2.93 0.00 0.00 61.98 60.34 2kpw s VAL 100 Cb -0.34 -4.31 0.06 0.00 -1.53 0.00 0.00 36.38 30.27 2kpw s VAL 100 CO 0.30 -0.89 0.83 -0.75 -3.33 0.00 0.00 175.10 171.27 2kpw s LYS 101 N 5.03 3.17 -0.14 1.54 2.20 0.28 -3.52 119.74 128.29 2kpw s LYS 101 Ca 0.58 -0.76 -0.21 0.00 -0.36 0.00 0.00 55.97 55.22 2kpw s LYS 101 Cb -0.12 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.02 2kpw s LYS 101 CO 0.31 -1.52 0.62 0.08 -0.36 0.00 0.00 175.35 174.48 2kpw s VAL 102 N 3.45 5.06 -0.16 4.02 1.01 -0.05 -2.66 120.40 131.08 2kpw s VAL 102 Ca 0.21 1.22 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 2kpw s VAL 102 Cb -0.17 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 2kpw s VAL 102 CO 0.13 0.20 0.23 -0.63 0.00 0.00 0.00 175.10 175.02 2kpw s ILE 103 N 1.32 5.35 -0.34 2.22 -1.09 0.10 -2.26 121.20 126.50 2kpw s ILE 103 Ca 0.31 0.41 -0.05 0.00 -2.23 0.00 0.00 60.65 59.09 2kpw s ILE 103 Cb -0.16 -3.55 0.06 0.00 -1.58 0.00 0.00 42.46 37.22 2kpw s ILE 103 CO 0.13 0.45 0.09 -0.76 -1.23 0.00 0.00 174.94 173.62 2kpw s LEU 104 N 0.11 4.36 0.28 2.97 1.43 0.14 -0.57 118.68 127.40 2kpw s LEU 104 Ca 0.14 -1.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.00 2kpw s LEU 104 Cb -0.12 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2kpw s LEU 104 CO 0.03 -0.35 0.05 -0.54 0.23 0.00 0.00 176.35 175.77 2kpw s LYS 105 N 1.32 2.39 0.82 1.70 1.02 -0.38 -1.52 119.74 125.08 2kpw s LYS 105 Ca -0.01 -1.41 -0.07 0.00 0.02 0.00 0.00 55.97 54.50 2kpw s LYS 105 Cb -0.20 -2.21 0.15 0.00 -0.52 0.00 0.00 37.83 35.05 2kpw s LYS 105 CO 0.00 0.31 1.13 -0.80 -0.92 0.00 0.00 175.35 175.07 2kpw s ASN 106 N -3.73 3.87 0.00 2.83 -0.87 -0.48 -0.89 114.94 115.67 2kpw s ASN 106 Ca 0.33 -0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.57 2kpw s ASN 106 Cb -0.06 -0.21 0.00 0.00 -0.02 0.00 0.00 41.25 40.96 2kpw s ASN 106 CO 0.21 -2.20 0.68 -0.24 -2.57 0.00 0.00 177.10 172.98 2kpw n SER 107 N -3.22 2.02 0.00 -1.22 2.88 -0.49 -3.24 113.62 110.35 2kpw n SER 107 Ca 0.15 -1.45 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 2kpw n SER 107 Cb 0.60 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2kpw n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kpw n GLN 108 N 0.59 0.14 0.00 -1.46 6.02 -1.26 -5.05 117.38 116.35 2kpw n GLN 108 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kpw n GLN 108 Cb 0.34 -0.82 0.00 0.00 1.02 0.00 0.00 30.24 30.78 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 2.76 2.05 3.74 1.08 0.00 -1.20 -5.13 105.19 108.49 2kpw n GLY 109 Ca 0.00 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 1.87 -0.03 1.61 -1.05 -1.26 -4.80 118.70 115.04 2kpw s GLU 110 Ca 0.00 1.11 0.07 0.00 -0.15 0.00 0.00 54.97 56.00 2kpw s GLU 110 Cb 0.00 -1.86 -0.01 0.00 -0.44 0.00 0.00 34.13 31.82 2kpw s GLU 110 CO 0.00 -1.90 -0.23 -2.00 0.95 0.00 0.00 175.26 172.08 2kpw s GLU 111 N -4.88 1.95 -0.06 -4.83 2.12 -1.26 -1.38 118.70 110.35 2kpw s GLU 111 Ca 0.62 -0.81 0.04 0.00 0.36 0.00 0.00 54.97 55.19 2kpw s GLU 111 Cb -0.18 -1.82 -0.07 0.00 0.26 0.00 0.00 34.13 32.32 2kpw s GLU 111 CO 0.57 0.45 -0.00 1.33 -0.54 0.00 0.00 175.26 177.06 2kpw n VAL 112 N 2.65 0.41 -3.84 3.70 0.24 -0.58 -4.98 118.33 115.93 2kpw n VAL 112 Ca -0.16 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 61.82 2kpw n VAL 112 Cb 0.52 -0.82 -0.06 0.00 -1.47 0.00 0.00 33.84 32.00 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 -2.14 -0.34 -0.28 2.33 0.00 -1.14 -5.05 121.76 115.14 2kpw s ALA 113 Ca -0.05 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.14 2kpw s ALA 113 Cb 0.02 0.66 0.11 0.00 0.00 0.00 0.00 23.12 23.91 2kpw s ALA 113 CO 0.23 -0.59 0.92 1.14 0.00 0.00 0.00 175.76 177.45 2kpw s GLN 114 N -3.88 0.56 0.13 0.00 -2.07 -1.26 -0.69 119.66 112.45 2kpw s GLN 114 Ca 0.08 0.77 -0.25 0.00 -1.82 0.00 0.00 55.36 54.15 2kpw s GLN 114 Cb 0.03 0.21 0.07 0.00 -1.09 0.00 0.00 33.01 32.23 2kpw s GLN 114 CO -0.08 -0.09 0.83 0.50 -1.32 0.00 0.00 175.29 175.14 2kpw s ARG 115 N 0.75 1.21 0.14 9.60 3.52 -0.96 -5.00 118.95 128.22 2kpw s ARG 115 Ca -0.02 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 2kpw s ARG 115 Cb -0.05 0.47 -0.00 0.00 -1.56 0.00 0.00 34.95 33.81 2kpw s ARG 115 CO -0.09 -0.55 0.04 -1.13 -0.81 0.00 0.00 175.30 172.76 2kpw n SER 116 N -0.39 1.20 -4.70 -2.12 3.41 -1.26 -0.87 113.62 108.89 2kpw n SER 116 Ca -0.08 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 2kpw n SER 116 Cb 0.61 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 2kpw n SER 116 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2kpw s THR 117 N -1.99 4.86 -0.56 6.66 -4.23 -1.23 -4.67 115.64 114.48 2kpw s THR 117 Ca 0.06 1.95 -0.20 0.00 -1.18 0.00 0.00 61.69 62.32 2kpw s THR 117 Cb 0.00 -4.27 0.07 0.00 1.34 0.00 0.00 72.50 69.64 2kpw s THR 117 CO 0.04 0.11 0.73 -0.69 -0.54 0.00 0.00 174.62 174.27 2kpw s VAL 118 N 1.40 4.73 -0.43 2.29 1.01 -1.26 -4.78 120.40 123.35 2kpw s VAL 118 Ca 0.48 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 2kpw s VAL 118 Cb -0.19 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 2kpw s VAL 118 CO 0.22 -1.02 1.89 -0.36 0.00 0.00 0.00 175.10 175.83 2kpw s PHE 119 N 2.99 1.67 -0.59 5.22 0.08 -1.26 -4.88 117.98 121.21 2kpw s PHE 119 Ca 0.17 0.76 -0.28 0.00 0.12 0.00 0.00 56.93 57.70 2kpw s PHE 119 Cb -0.20 -4.06 0.03 0.00 -0.57 0.00 0.00 43.02 38.23 2kpw s PHE 119 CO 0.11 -2.74 1.19 0.15 -0.10 0.00 0.00 175.22 173.83 2kpw s LYS 120 N 6.37 3.48 -0.43 0.44 1.02 -1.26 -4.98 119.74 124.38 2kpw s LYS 120 Ca 0.78 0.19 -0.28 0.00 0.02 0.00 0.00 55.97 56.67 2kpw s LYS 120 Cb -0.19 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.09 2kpw s LYS 120 CO 0.29 -1.70 1.52 0.99 -0.92 0.00 0.00 175.35 175.52 2kpw s THR 121 N 4.96 3.76 0.00 2.17 2.01 -1.26 -5.21 115.64 122.07 2kpw s THR 121 Ca 0.42 0.74 0.00 0.00 0.31 0.00 0.00 61.69 63.16 2kpw s THR 121 Cb -0.08 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2kpw s THR 121 CO 0.24 -0.76 0.00 0.41 -0.69 0.00 0.00 174.62 173.82