#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 4.61 3.67 3.03 0.00 -1.26 -5.11 105.19 110.14 2kpw n GLY 2 Ca 0.00 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 2kpw n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kpw s HIS 3 N 3.91 3.21 0.21 1.61 -0.00 -1.26 -4.94 115.29 118.03 2kpw s HIS 3 Ca 0.00 1.31 -0.02 0.00 -0.00 0.00 0.00 55.06 56.36 2kpw s HIS 3 Cb 0.00 -3.35 0.18 0.00 -0.00 0.00 0.00 32.58 29.41 2kpw s HIS 3 CO 0.00 -0.95 1.56 0.45 -0.00 0.00 0.00 174.74 175.79 2kpw h HIS 4 N 7.57 0.65 -5.62 0.38 3.86 -2.10 -3.47 115.15 116.42 2kpw h HIS 4 Ca -0.27 -0.21 -0.36 0.00 -1.16 0.00 0.00 60.37 58.37 2kpw h HIS 4 Cb 1.12 -0.13 0.15 0.00 1.06 0.00 0.00 27.41 29.60 2kpw h HIS 4 CO 0.75 0.91 -0.69 1.58 0.86 0.00 0.00 177.93 181.34 2kpw n HIS 5 N -3.99 -2.54 -4.04 2.45 -0.00 -1.26 -5.00 115.22 100.83 2kpw n HIS 5 Ca -0.02 0.95 -0.33 0.00 0.46 0.00 0.00 57.72 58.78 2kpw n HIS 5 Cb 0.56 -4.93 -0.15 0.00 -0.12 0.00 0.00 29.99 25.34 2kpw n HIS 5 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kpw s HIS 6 N -3.32 3.00 -0.26 1.57 0.09 -1.26 -5.08 115.29 110.03 2kpw s HIS 6 Ca 0.36 -1.74 -0.04 0.00 -0.00 0.00 0.00 55.06 53.63 2kpw s HIS 6 Cb -0.16 -1.98 0.09 0.00 -0.00 0.00 0.00 32.58 30.54 2kpw s HIS 6 CO 0.70 -0.79 0.13 -1.58 -0.00 0.00 0.00 174.74 173.21 2kpw s HIS 7 N 1.27 0.23 -1.00 1.40 5.04 -1.26 -5.04 115.29 115.93 2kpw s HIS 7 Ca 0.00 -0.67 0.04 0.00 -1.54 0.00 0.00 55.06 52.90 2kpw s HIS 7 Cb -0.16 -0.81 0.23 0.00 0.04 0.00 0.00 32.58 31.88 2kpw s HIS 7 CO -0.08 -0.75 0.91 -2.39 -2.34 0.00 0.00 174.74 170.10 2kpw n HIS 8 N 5.26 0.55 -1.86 3.88 -0.00 -1.26 -4.93 115.22 116.87 2kpw n HIS 8 Ca -0.06 -0.20 -0.42 0.00 -0.00 0.00 0.00 57.72 57.04 2kpw n HIS 8 Cb 0.44 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.99 30.22 2kpw n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kpw s SER 9 N -0.36 6.51 -0.03 4.39 0.15 -1.26 -4.90 113.70 118.20 2kpw s SER 9 Ca 0.16 2.73 0.15 0.00 0.70 0.00 0.00 55.95 59.68 2kpw s SER 9 Cb 0.11 -2.60 0.48 0.00 -1.71 0.00 0.00 66.02 62.30 2kpw s SER 9 CO 0.05 -0.87 1.38 1.41 1.20 0.00 0.00 173.24 176.41 2kpw n HIS 10 N 3.73 0.81 -2.11 3.44 -0.00 -1.26 -4.91 115.22 114.93 2kpw n HIS 10 Ca 0.14 -0.37 -0.43 0.00 -0.00 0.00 0.00 57.72 57.06 2kpw n HIS 10 Cb 0.37 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.99 30.28 2kpw n HIS 10 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2kpw s MET 11 N -1.45 3.43 0.73 -0.41 1.00 -1.26 -4.99 119.30 116.36 2kpw s MET 11 Ca 0.35 1.30 -0.13 0.00 0.00 0.00 0.00 55.69 57.21 2kpw s MET 11 Cb 0.20 -4.14 0.04 0.00 0.00 0.00 0.00 34.83 30.93 2kpw s MET 11 CO 0.22 -1.74 1.13 0.95 0.00 0.00 0.00 175.02 175.58 2kpw s THR 12 N 6.37 2.91 -1.22 2.05 -4.23 -1.26 -4.89 115.64 115.37 2kpw s THR 12 Ca 0.74 0.38 -0.19 0.00 -1.18 0.00 0.00 61.69 61.44 2kpw s THR 12 Cb -0.20 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 2kpw s THR 12 CO 0.33 -0.31 1.92 0.61 -0.54 0.00 0.00 174.62 176.64 2kpw n GLY 13 N -0.40 2.58 2.14 3.99 0.00 -1.26 -4.83 105.19 107.42 2kpw n GLY 13 Ca 0.11 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 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 9.26 6.80 -4.35 1.61 3.02 -1.26 -4.85 115.26 125.50 2kpw n ASN 14 Ca 0.49 -2.52 -0.38 0.00 -0.03 0.00 0.00 54.58 52.14 2kpw n ASN 14 Cb 0.44 -1.48 -0.12 0.00 -0.61 0.00 0.00 39.78 38.01 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 1.54 4.03 0.13 2.41 1.01 -1.26 -1.24 120.40 127.02 2kpw s VAL 15 Ca 0.68 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2kpw s VAL 15 Cb 0.26 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2kpw s VAL 15 CO -0.03 0.04 0.34 0.00 0.00 0.00 0.00 175.10 175.45 2kpw s ILE 17 N -1.66 4.81 -0.01 0.00 1.01 -1.26 -0.88 121.20 123.20 2kpw s ILE 17 Ca 0.39 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 2kpw s ILE 17 Cb -0.12 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.13 2kpw s ILE 17 CO 0.26 -0.61 0.15 -0.08 0.00 0.00 0.00 174.94 174.67 2kpw h GLU 18 N 8.88 -0.03 -2.45 2.79 4.81 -1.86 -3.49 114.58 123.23 2kpw h GLU 18 Ca -0.25 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.90 2kpw h GLU 18 Cb 1.09 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.29 2kpw h GLU 18 CO 0.90 -0.02 0.01 -2.00 -0.73 0.00 0.00 179.01 177.17 2kpw s GLU 19 N -1.44 0.92 -0.10 1.92 2.12 -1.14 -5.08 118.70 115.89 2kpw s GLU 19 Ca -0.01 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.36 2kpw s GLU 19 Cb 0.00 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.79 2kpw s GLU 19 CO 0.02 -0.28 -0.04 0.42 -0.54 0.00 0.00 175.26 174.84 2kpw s ILE 20 N -1.37 3.96 0.47 -3.70 1.01 -1.26 -2.34 121.20 117.98 2kpw s ILE 20 Ca -0.11 -0.37 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 2kpw s ILE 20 Cb -0.02 -2.67 -0.07 0.00 0.01 0.00 0.00 42.46 39.71 2kpw s ILE 20 CO 0.07 0.57 1.15 -0.62 0.00 0.00 0.00 174.94 176.11 2kpw s ASP 21 N -0.50 6.12 -0.02 3.58 2.15 -1.08 -4.94 116.67 121.98 2kpw s ASP 21 Ca 0.08 2.25 0.18 0.00 0.43 0.00 0.00 52.55 55.50 2kpw s ASP 21 Cb -0.12 -2.60 -0.26 0.00 -0.30 0.00 0.00 42.92 39.64 2kpw s ASP 21 CO 0.02 -0.95 0.52 0.55 -0.17 0.00 0.00 175.17 175.14 2kpw n VAL 22 N -0.65 0.00 0.16 1.11 3.14 -1.26 -4.36 118.33 116.48 2kpw n VAL 22 Ca 0.08 -0.32 0.03 0.00 -2.96 0.00 0.00 64.34 61.18 2kpw n VAL 22 Cb 0.49 0.36 0.21 0.00 -1.06 0.00 0.00 33.84 33.84 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 0.00 -0.12 6.55 1.82 -1.93 -3.41 116.42 119.34 2kpw h ASP 23 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kpw h ASP 23 Cb 0.72 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2kpw h ASP 23 CO 0.00 0.49 0.00 0.61 -1.61 0.00 0.00 179.24 178.73 2kpw n GLY 24 N 0.54 0.94 0.00 -0.78 0.00 -1.26 -4.94 105.19 99.69 2kpw n GLY 24 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.06 0.66 -3.93 1.61 5.02 -1.26 -4.00 118.16 116.19 2kpw n LYS 25 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 2kpw n LYS 25 Cb 0.05 -0.86 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 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 -1.73 0.19 0.01 2.13 -0.71 -1.26 -0.60 117.98 116.01 2kpw s PHE 26 Ca 0.00 -0.62 0.02 0.00 -1.04 0.00 0.00 56.93 55.29 2kpw s PHE 26 Cb 0.00 0.44 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 2kpw s PHE 26 CO 0.00 -1.17 -0.05 0.42 -1.34 0.00 0.00 175.22 173.08 2kpw s ILE 27 N -3.69 0.39 -0.21 -4.49 1.01 -0.32 -2.62 121.20 111.27 2kpw s ILE 27 Ca 0.18 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2kpw s ILE 27 Cb -0.03 -0.39 0.04 0.00 0.01 0.00 0.00 42.46 42.09 2kpw s ILE 27 CO 0.10 -0.10 -0.14 -0.60 0.00 0.00 0.00 174.94 174.20 2kpw s ARG 28 N -0.67 2.40 0.42 2.79 3.52 -0.99 0.23 118.95 126.65 2kpw s ARG 28 Ca -0.03 -0.99 0.08 0.00 -0.13 0.00 0.00 55.73 54.66 2kpw s ARG 28 Cb -0.05 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.73 2kpw s ARG 28 CO -0.00 -0.40 0.45 -0.51 -0.81 0.00 0.00 175.30 174.03 2kpw s LEU 29 N 1.28 3.45 -0.07 -0.88 1.02 -0.25 -2.89 118.68 120.33 2kpw s LEU 29 Ca -0.01 -0.66 -0.03 0.00 0.02 0.00 0.00 54.13 53.45 2kpw s LEU 29 Cb -0.16 -2.22 0.04 0.00 0.02 0.00 0.00 46.19 43.87 2kpw s LEU 29 CO -0.09 -0.72 0.16 -0.75 0.02 0.00 0.00 176.35 174.98 2kpw s LYS 30 N -4.22 0.09 -0.08 1.70 2.20 -0.06 -0.66 119.74 118.71 2kpw s LYS 30 Ca 0.50 0.43 -0.19 0.00 -0.36 0.00 0.00 55.97 56.35 2kpw s LYS 30 Cb -0.05 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 2kpw s LYS 30 CO 0.30 -0.20 0.54 1.21 -0.36 0.00 0.00 175.35 176.84 2kpw s ASN 31 N 1.44 6.80 -0.02 1.43 2.47 -0.69 -0.20 114.94 126.17 2kpw s ASN 31 Ca -0.06 0.96 0.05 0.00 0.42 0.00 0.00 52.86 54.22 2kpw s ASN 31 Cb -0.12 -2.32 0.12 0.00 -1.45 0.00 0.00 41.25 37.48 2kpw s ASN 31 CO -0.06 0.02 1.09 0.35 -3.72 0.00 0.00 177.10 174.77 2kpw n THR 32 N 3.41 1.12 -1.85 -5.21 -2.24 -0.38 -0.19 114.28 108.94 2kpw n THR 32 Ca -0.06 -1.14 -0.32 0.00 -2.27 0.00 0.00 64.05 60.25 2kpw n THR 32 Cb 0.51 0.41 0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.20 5.45 0.42 3.42 1.04 -1.24 -4.78 113.70 116.81 2kpw s SER 33 Ca 0.10 1.84 0.17 0.00 0.48 0.00 0.00 55.95 58.54 2kpw s SER 33 Cb 0.07 -2.53 0.92 0.00 0.10 0.00 0.00 66.02 64.57 2kpw s SER 33 CO 0.04 -1.39 1.89 -0.33 0.98 0.00 0.00 173.24 174.43 2kpw h GLU 34 N 0.06 0.00 -5.85 4.02 5.08 -1.97 -3.40 114.58 112.53 2kpw h GLU 34 Ca -0.46 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.31 2kpw h GLU 34 Cb 1.23 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.18 2kpw h GLU 34 CO 0.56 0.29 -0.85 -1.14 -1.00 0.00 0.00 179.01 176.87 2kpw s GLN 35 N -4.17 1.70 0.05 2.33 0.74 -1.26 -4.93 119.66 114.12 2kpw s GLN 35 Ca -0.03 -0.71 -0.35 0.00 0.05 0.00 0.00 55.36 54.33 2kpw s GLN 35 Cb 0.14 -1.60 -0.14 0.00 1.10 0.00 0.00 33.01 32.51 2kpw s GLN 35 CO 0.68 0.40 1.66 -0.25 -0.55 0.00 0.00 175.29 177.23 2kpw n ASP 36 N 2.70 3.04 -4.63 6.67 8.00 -1.26 -4.74 116.55 126.33 2kpw n ASP 36 Ca -0.16 1.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.99 2kpw n ASP 36 Cb 0.53 -1.37 -0.07 0.00 -0.02 0.00 0.00 41.12 40.19 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 2.01 4.11 -0.31 -1.24 -1.52 -0.86 -4.80 119.66 117.06 2kpw s GLN 37 Ca 0.85 0.43 -0.29 0.00 -1.95 0.00 0.00 55.36 54.40 2kpw s GLN 37 Cb -0.73 -3.63 -0.07 0.00 -0.22 0.00 0.00 33.01 28.36 2kpw s GLN 37 CO 0.44 -0.33 2.27 -2.30 -0.25 0.00 0.00 175.29 175.12 2kpw n PRO 38 N 5.44 1.60 -2.51 2.91 -0.02 -1.26 0.18 135.00 141.34 2kpw n PRO 38 Ca -0.03 0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 2kpw n PRO 38 Cb 0.50 -3.14 -0.03 0.00 -0.02 0.00 0.00 33.50 30.81 2kpw n PRO 38 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2kpw s MET 39 N 6.81 3.43 0.09 -0.52 1.75 -1.12 -4.30 119.30 125.44 2kpw s MET 39 Ca 1.02 -0.91 0.00 0.00 -1.25 0.00 0.00 55.69 54.56 2kpw s MET 39 Cb -0.40 -5.16 0.00 0.00 2.84 0.00 0.00 34.83 32.11 2kpw s MET 39 CO 0.36 -2.31 0.00 0.41 -0.65 0.00 0.00 175.02 172.83 2kpw n GLY 40 N 6.67 -0.94 2.06 2.11 0.00 -1.26 -2.69 105.19 111.14 2kpw n GLY 40 Ca 0.29 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.50 2.93 2.92 -0.02 0.00 -1.26 -4.24 105.19 104.01 2kpw n GLY 41 Ca 0.00 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 1.25 -0.01 -0.10 1.61 0.52 -1.26 -0.44 118.94 120.51 2kpw s TRP 42 Ca 0.62 0.03 0.02 0.00 0.02 0.00 0.00 56.10 56.79 2kpw s TRP 42 Cb 0.29 -0.01 0.01 0.00 -1.15 0.00 0.00 33.47 32.61 2kpw s TRP 42 CO -0.00 -0.04 -0.17 -2.00 0.02 0.00 0.00 176.95 174.76 2kpw s GLU 43 N -0.15 2.36 -0.32 4.98 2.12 0.56 -0.98 118.70 127.28 2kpw s GLU 43 Ca -0.02 -0.62 -0.11 0.00 0.36 0.00 0.00 54.97 54.58 2kpw s GLU 43 Cb -0.01 -1.94 -0.02 0.00 0.26 0.00 0.00 34.13 32.42 2kpw s GLU 43 CO -0.00 -0.00 0.19 1.41 -0.54 0.00 0.00 175.26 176.32 2kpw s MET 44 N 0.80 3.47 0.27 4.30 -2.45 0.30 -1.88 119.30 124.12 2kpw s MET 44 Ca -0.10 -0.64 0.06 0.00 -1.25 0.00 0.00 55.69 53.75 2kpw s MET 44 Cb -0.16 -3.68 -0.02 0.00 1.25 0.00 0.00 34.83 32.22 2kpw s MET 44 CO 0.01 -0.40 0.38 0.42 1.05 0.00 0.00 175.02 176.48 2kpw s ILE 45 N 1.68 4.88 -0.26 10.11 1.01 -0.07 -0.02 121.20 138.53 2kpw s ILE 45 Ca 0.06 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 2kpw s ILE 45 Cb -0.17 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.66 2kpw s ILE 45 CO 0.09 -0.28 0.67 -0.60 0.00 0.00 0.00 174.94 174.81 2kpw s ARG 46 N -4.02 0.76 0.08 2.79 3.52 0.15 0.08 118.95 122.30 2kpw s ARG 46 Ca 0.37 1.01 0.08 0.00 -0.13 0.00 0.00 55.73 57.06 2kpw s ARG 46 Cb -0.09 0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.58 2kpw s ARG 46 CO 0.29 -0.11 -0.22 0.15 -0.81 0.00 0.00 175.30 174.60 2kpw s LYS 47 N 0.72 1.31 -0.17 5.12 1.02 -0.57 -0.48 119.74 126.70 2kpw s LYS 47 Ca -0.03 -1.09 -0.05 0.00 0.02 0.00 0.00 55.97 54.82 2kpw s LYS 47 Cb -0.05 -1.54 0.06 0.00 -0.52 0.00 0.00 37.83 35.78 2kpw s LYS 47 CO -0.05 0.38 0.09 -1.50 -0.92 0.00 0.00 175.35 173.35 2kpw s ILE 48 N -0.98 -0.08 0.00 2.17 2.07 -0.86 -2.59 121.20 120.94 2kpw s ILE 48 Ca 0.08 -0.18 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 2kpw s ILE 48 Cb -0.10 -0.59 0.00 0.00 0.13 0.00 0.00 42.46 41.90 2kpw s ILE 48 CO 0.03 -0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.38 2kpw n GLY 49 N 5.28 1.52 0.70 1.50 0.00 -1.26 -3.17 105.19 109.76 2kpw n GLY 49 Ca -0.07 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kpw n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kpw n ASP 50 N 3.24 0.38 -4.76 1.61 5.68 -1.26 -5.10 116.55 116.35 2kpw n ASP 50 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 2kpw n ASP 50 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2kpw s THR 51 N -1.47 2.90 0.17 2.12 -1.32 -1.19 -5.04 115.64 111.81 2kpw s THR 51 Ca 0.00 0.83 0.11 0.00 -1.21 0.00 0.00 61.69 61.42 2kpw s THR 51 Cb 0.00 -3.53 -0.04 0.00 -1.51 0.00 0.00 72.50 67.42 2kpw s THR 51 CO 0.00 0.17 -0.22 -0.94 -2.21 0.00 0.00 174.62 171.42 2kpw s SER 52 N -0.18 3.55 0.02 8.08 1.04 -1.26 -2.02 113.70 122.94 2kpw s SER 52 Ca 0.52 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 2kpw s SER 52 Cb -0.39 -0.33 -0.02 0.00 0.10 0.00 0.00 66.02 65.39 2kpw s SER 52 CO 0.47 0.13 0.01 0.54 0.98 0.00 0.00 173.24 175.37 2kpw s VAL 53 N -1.51 0.12 0.19 5.02 0.11 0.37 -4.99 120.40 119.71 2kpw s VAL 53 Ca 0.20 -0.99 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 2kpw s VAL 53 Cb -0.09 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 2kpw s VAL 53 CO 0.10 -0.55 0.03 -0.94 -3.33 0.00 0.00 175.10 170.41 2kpw s SER 54 N -1.67 1.16 -0.27 3.54 1.04 -1.26 0.34 113.70 116.57 2kpw s SER 54 Ca -0.12 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.03 2kpw s SER 54 Cb -0.07 0.14 0.15 0.00 0.10 0.00 0.00 66.02 66.34 2kpw s SER 54 CO -0.02 -0.62 0.54 -0.47 0.98 0.00 0.00 173.24 173.65 2kpw s TYR 55 N -3.70 -1.26 0.04 5.02 5.04 0.97 -4.91 117.35 118.54 2kpw s TYR 55 Ca 0.28 1.66 -0.26 0.00 -2.44 0.00 0.00 57.07 56.31 2kpw s TYR 55 Cb 0.07 0.48 -0.05 0.00 0.35 0.00 0.00 41.96 42.80 2kpw s TYR 55 CO 0.07 -0.74 0.80 0.21 -1.34 0.00 0.00 175.55 174.55 2kpw s LYS 56 N 2.77 4.52 0.73 4.97 2.20 -1.26 -0.54 119.74 133.13 2kpw s LYS 56 Ca 0.09 1.12 -0.12 0.00 -0.36 0.00 0.00 55.97 56.70 2kpw s LYS 56 Cb -0.14 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2kpw s LYS 56 CO -0.18 0.23 1.10 0.71 -0.36 0.00 0.00 175.35 176.85 2kpw s TYR 57 N 0.10 2.56 -0.10 4.03 1.51 -0.16 -4.98 117.35 120.31 2kpw s TYR 57 Ca 0.40 1.56 0.04 0.00 -1.01 0.00 0.00 57.07 58.06 2kpw s TYR 57 Cb -0.21 -3.11 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 2kpw s TYR 57 CO 0.24 -1.80 -0.23 -0.08 -1.11 0.00 0.00 175.55 172.56 2kpw s THR 58 N -2.67 2.02 -1.10 -0.71 -1.32 -1.25 -4.59 115.64 106.03 2kpw s THR 58 Ca 0.64 -1.00 -0.22 0.00 -1.21 0.00 0.00 61.69 59.90 2kpw s THR 58 Cb -0.19 -1.76 0.02 0.00 -1.51 0.00 0.00 72.50 69.07 2kpw s THR 58 CO 0.50 0.55 1.68 -0.55 -2.21 0.00 0.00 174.62 174.60 2kpw s SER 59 N 0.40 6.17 0.00 8.08 0.15 -1.09 -4.53 113.70 122.87 2kpw s SER 59 Ca -0.18 -1.62 0.01 0.00 0.70 0.00 0.00 55.95 54.85 2kpw s SER 59 Cb -0.18 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.57 2kpw s SER 59 CO 0.08 -1.83 0.76 -2.11 1.20 0.00 0.00 173.24 171.34 2kpw n ARG 60 N 8.67 0.98 -3.79 5.44 1.85 -1.26 -5.03 116.66 123.52 2kpw n ARG 60 Ca 0.40 -1.02 -0.01 0.00 -1.00 0.00 0.00 57.85 56.22 2kpw n ARG 60 Cb 0.48 -1.01 0.00 0.00 -1.05 0.00 0.00 32.46 30.88 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 -0.51 -0.02 -0.15 2.89 1.13 -1.26 -5.07 117.35 114.35 2kpw s TYR 61 Ca 0.01 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 2kpw s TYR 61 Cb 0.01 0.62 -0.02 0.00 -1.10 0.00 0.00 41.96 41.47 2kpw s TYR 61 CO 0.01 -0.64 -0.08 0.14 -2.51 0.00 0.00 175.55 172.47 2kpw s VAL 62 N -2.55 3.48 -0.42 -3.49 -7.23 -1.26 -2.79 120.40 106.14 2kpw s VAL 62 Ca 0.18 -0.50 -0.27 0.00 -1.81 0.00 0.00 61.98 59.57 2kpw s VAL 62 Cb 0.00 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 2kpw s VAL 62 CO 0.01 0.50 1.96 -0.22 -0.31 0.00 0.00 175.10 177.04 2kpw s LEU 63 N 0.46 3.42 0.26 1.32 0.20 0.13 -4.79 118.68 119.68 2kpw s LEU 63 Ca -0.06 1.08 -0.30 0.00 0.69 0.00 0.00 54.13 55.53 2kpw s LEU 63 Cb -0.15 -3.09 -0.13 0.00 -0.43 0.00 0.00 46.19 42.39 2kpw s LEU 63 CO 0.04 -2.10 1.36 0.29 -0.29 0.00 0.00 176.35 175.64 2kpw n LYS 64 N 8.76 2.00 -1.68 1.98 5.02 -1.26 -2.03 118.16 130.95 2kpw n LYS 64 Ca 0.25 0.71 -0.45 0.00 -2.02 0.00 0.00 58.31 56.80 2kpw n LYS 64 Cb 0.49 -2.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 2kpw n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kpw n ALA 65 N 1.50 1.78 -2.45 7.82 0.00 -1.26 -2.16 120.51 125.74 2kpw n ALA 65 Ca 0.10 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 2kpw n ALA 65 Cb 0.32 -2.43 0.01 0.00 0.00 0.00 0.00 19.45 17.35 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 3.69 -0.02 3.23 0.00 0.00 0.73 -5.01 105.19 107.81 2kpw n GLY 66 Ca 0.17 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.87 1.00 -0.10 1.61 2.00 -0.92 -4.96 119.66 113.41 2kpw s GLN 67 Ca 0.09 -1.04 -0.12 0.00 -2.00 0.00 0.00 55.36 52.28 2kpw s GLN 67 Cb -0.04 -1.13 -0.05 0.00 0.80 0.00 0.00 33.01 32.59 2kpw s GLN 67 CO 0.11 0.26 0.28 0.95 -0.50 0.00 0.00 175.29 176.39 2kpw s THR 68 N -1.17 5.28 -0.10 -0.34 -4.23 -1.26 -1.70 115.64 112.11 2kpw s THR 68 Ca 0.03 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2kpw s THR 68 Cb -0.10 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 2kpw s THR 68 CO 0.03 0.51 -0.11 0.54 -0.54 0.00 0.00 174.62 175.05 2kpw s VAL 69 N -0.37 3.31 -0.27 2.29 0.11 0.16 -4.95 120.40 120.68 2kpw s VAL 69 Ca 0.18 -0.59 -0.09 0.00 -2.93 0.00 0.00 61.98 58.55 2kpw s VAL 69 Cb -0.14 -2.37 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 2kpw s VAL 69 CO 0.07 0.55 0.12 -0.89 -3.33 0.00 0.00 175.10 171.61 2kpw s THR 70 N -0.15 4.57 -0.61 5.04 2.01 -1.26 -1.09 115.64 124.15 2kpw s THR 70 Ca 0.00 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 2kpw s THR 70 Cb -0.13 -3.20 0.07 0.00 0.01 0.00 0.00 72.50 69.24 2kpw s THR 70 CO 0.03 0.24 0.89 -0.63 -0.69 0.00 0.00 174.62 174.46 2kpw s ILE 71 N 1.64 4.46 -0.13 1.82 -1.09 0.13 -1.80 121.20 126.24 2kpw s ILE 71 Ca 0.06 -0.29 -0.25 0.00 -2.23 0.00 0.00 60.65 57.93 2kpw s ILE 71 Cb -0.16 -4.58 -0.02 0.00 -1.58 0.00 0.00 42.46 36.12 2kpw s ILE 71 CO 0.06 -1.26 0.82 0.26 -1.23 0.00 0.00 174.94 173.59 2kpw s TRP 72 N 3.70 3.48 0.90 3.97 0.52 0.11 -1.17 118.94 130.45 2kpw s TRP 72 Ca 0.22 1.31 -0.15 0.00 0.02 0.00 0.00 56.10 57.50 2kpw s TRP 72 Cb -0.17 -2.98 0.22 0.00 -1.15 0.00 0.00 33.47 29.39 2kpw s TRP 72 CO 0.12 -0.14 0.88 0.00 0.02 0.00 0.00 176.95 177.83 2kpw n ALA 73 N 4.76 -2.31 0.24 0.98 0.00 0.23 0.98 120.51 125.38 2kpw n ALA 73 Ca 0.03 -1.26 0.15 0.00 0.00 0.00 0.00 53.44 52.36 2kpw n ALA 73 Cb 0.50 -0.08 0.79 0.00 0.00 0.00 0.00 19.45 20.65 2kpw n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kpw h ALA 74 N -2.41 1.06 -0.39 0.00 0.00 -0.42 0.96 119.26 118.06 2kpw h ALA 74 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2kpw h ALA 74 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kpw h ALA 74 CO 0.21 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.50 2kpw n ASN 75 N -2.56 4.01 -0.09 0.00 3.02 -1.26 -4.69 115.26 113.70 2kpw n ASN 75 Ca -0.02 -2.56 -0.12 0.00 -0.03 0.00 0.00 54.58 51.85 2kpw n ASN 75 Cb 0.11 -0.60 -0.08 0.00 -0.61 0.00 0.00 39.78 38.60 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 3.38 -0.73 -0.57 5.41 0.00 -1.05 -3.46 119.26 122.23 2kpw h ALA 76 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2kpw h ALA 76 Cb 1.41 1.03 -0.07 0.00 0.00 0.00 0.00 17.79 20.17 2kpw h ALA 76 CO 0.30 -0.94 -0.18 0.41 0.00 0.00 0.00 179.25 178.84 2kpw n GLY 77 N -1.32 0.93 1.09 0.00 0.00 -1.26 -5.01 105.19 99.61 2kpw n GLY 77 Ca -0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2kpw n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kpw n VAL 78 N -2.92 0.00 -1.72 1.61 0.24 -1.26 -5.10 118.33 109.18 2kpw n VAL 78 Ca -0.10 -0.76 -0.42 0.00 -2.04 0.00 0.00 64.34 61.03 2kpw n VAL 78 Cb 0.35 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.92 2kpw n VAL 78 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2kpw s THR 79 N -1.89 2.73 -2.00 3.34 -4.23 -1.26 -4.87 115.64 107.45 2kpw s THR 79 Ca 0.05 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.65 2kpw s THR 79 Cb 0.00 -3.05 0.05 0.00 1.34 0.00 0.00 72.50 70.85 2kpw s THR 79 CO 0.03 -0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.10 2kpw n ALA 80 N 6.29 2.43 -3.79 3.99 0.00 -1.26 -4.66 120.51 123.52 2kpw n ALA 80 Ca 0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 2kpw n ALA 80 Cb 0.39 -1.03 -0.17 0.00 0.00 0.00 0.00 19.45 18.64 2kpw n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kpw s SER 81 N -1.14 1.81 0.30 0.00 0.15 -1.26 -4.89 113.70 108.67 2kpw s SER 81 Ca 0.03 -0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 2kpw s SER 81 Cb 0.01 -0.52 -0.13 0.00 -1.71 0.00 0.00 66.02 63.67 2kpw s SER 81 CO 0.02 -0.19 1.31 -2.65 1.20 0.00 0.00 173.24 172.92 2kpw n PRO 82 N 5.11 2.03 0.00 5.44 -0.02 -1.26 -4.91 135.00 141.38 2kpw n PRO 82 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2kpw n PRO 82 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2kpw n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kpw n PRO 83 N 1.08 0.00 0.00 0.52 -0.02 -1.26 -5.01 135.00 130.31 2kpw n PRO 83 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2kpw n PRO 83 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 2kpw n PRO 83 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kpw n THR 84 N 0.02 0.00 -0.85 3.45 5.66 -1.26 -4.78 114.28 116.52 2kpw n THR 84 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 2kpw n THR 84 Cb 0.00 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.00 2kpw n THR 84 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kpw n ASP 85 N 0.00 -2.27 -3.81 1.09 8.00 -1.26 -4.85 116.55 113.45 2kpw n ASP 85 Ca 0.00 -1.03 -0.12 0.00 0.71 0.00 0.00 54.79 54.35 2kpw n ASP 85 Cb 0.00 -0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 40.12 2kpw n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kpw s LEU 86 N 0.00 1.20 -0.31 0.64 1.43 -0.75 -4.35 118.68 116.55 2kpw s LEU 86 Ca 0.61 0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 53.90 2kpw s LEU 86 Cb -0.07 0.79 -0.01 0.00 0.03 0.00 0.00 46.19 46.93 2kpw s LEU 86 CO 0.47 -0.17 0.16 -0.63 0.23 0.00 0.00 176.35 176.41 2kpw s ILE 87 N -0.31 4.72 -1.16 -0.59 1.09 -1.26 0.04 121.20 123.74 2kpw s ILE 87 Ca -0.04 -0.32 -0.22 0.00 -1.10 0.00 0.00 60.65 58.98 2kpw s ILE 87 Cb -0.03 -3.38 -0.02 0.00 -1.06 0.00 0.00 42.46 37.98 2kpw s ILE 87 CO 0.01 0.10 1.82 0.86 -0.10 0.00 0.00 174.94 177.62 2kpw s TRP 88 N 1.64 2.26 -1.25 3.97 -0.11 0.27 -4.81 118.94 120.92 2kpw s TRP 88 Ca 0.05 -0.32 0.00 0.00 1.22 0.00 0.00 56.10 57.05 2kpw s TRP 88 Cb -0.17 -4.33 0.00 0.00 -1.50 0.00 0.00 33.47 27.47 2kpw s TRP 88 CO 0.07 -1.57 0.54 1.17 -4.62 0.00 0.00 176.95 172.54 2kpw n LYS 89 N 8.48 0.86 -0.05 5.86 4.81 -1.26 -2.55 118.16 134.31 2kpw n LYS 89 Ca 0.44 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.89 2kpw n LYS 89 Cb 0.47 -1.32 0.02 0.00 0.02 0.00 0.00 35.03 34.22 2kpw n LYS 89 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kpw n ASN 90 N -0.07 1.31 -3.77 3.14 5.03 -1.26 -4.90 115.26 114.73 2kpw n ASN 90 Ca 0.00 -1.86 -0.13 0.00 0.87 0.00 0.00 54.58 53.46 2kpw n ASN 90 Cb 0.16 -0.07 -0.10 0.00 -1.02 0.00 0.00 39.78 38.75 2kpw n ASN 90 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2kpw s GLN 91 N -0.89 0.52 0.00 3.52 0.74 -1.14 -4.94 119.66 117.48 2kpw s GLN 91 Ca 0.04 0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.51 2kpw s GLN 91 Cb 0.04 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.38 2kpw s GLN 91 CO 0.00 -0.12 0.00 0.09 -0.55 0.00 0.00 175.29 174.72 2kpw n ASN 92 N 2.00 0.00 0.00 6.67 4.13 -1.26 -0.36 115.26 126.44 2kpw n ASN 92 Ca -0.18 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.20 2kpw n ASN 92 Cb 0.57 0.00 0.70 0.00 -1.54 0.00 0.00 39.78 39.50 2kpw n ASN 92 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2kpw n SER 93 N 0.00 0.00 -1.46 6.41 3.41 -1.26 -4.68 113.62 116.05 2kpw n SER 93 Ca 0.00 -0.50 -0.06 0.00 -0.26 0.00 0.00 58.87 58.06 2kpw n SER 93 Cb 0.00 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 2kpw n SER 93 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2kpw n TRP 94 N -1.12 -0.95 0.00 7.33 2.14 -1.26 -4.32 117.44 119.26 2kpw n TRP 94 Ca 0.16 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.73 2kpw n TRP 94 Cb 0.13 -1.70 0.00 0.00 -0.81 0.00 0.00 31.31 28.93 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 -0.22 0.45 0.00 -1.67 0.00 -1.26 -4.76 105.19 97.73 2kpw n GLY 95 Ca -0.06 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 0.00 -2.66 2.61 5.66 -1.26 -4.73 114.28 113.90 2kpw n THR 96 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2kpw n THR 96 Cb 0.00 -0.61 0.05 0.00 -1.55 0.00 0.00 70.33 68.22 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 2.21 0.20 3.94 1.09 0.00 -1.26 -4.68 105.19 106.68 2kpw n GLY 97 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 0.10 3.21 0.00 1.61 0.41 -1.26 -4.96 118.70 117.80 2kpw s GLU 98 Ca 0.10 -0.24 -0.02 0.00 -0.41 0.00 0.00 54.97 54.40 2kpw s GLU 98 Cb 0.21 -2.49 -0.10 0.00 -1.78 0.00 0.00 34.13 29.97 2kpw s GLU 98 CO -0.05 -0.26 2.45 -0.40 -0.49 0.00 0.00 175.26 176.51 2kpw n ASP 99 N -2.15 4.88 -4.75 -0.19 5.75 -1.26 -4.78 116.55 114.04 2kpw n ASP 99 Ca 0.01 -2.34 -0.41 0.00 -0.01 0.00 0.00 54.79 52.04 2kpw n ASP 99 Cb 0.57 -1.15 -0.02 0.00 -1.03 0.00 0.00 41.12 39.49 2kpw n ASP 99 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kpw s VAL 100 N 0.56 2.75 0.08 2.12 0.11 -1.26 -4.70 120.40 120.05 2kpw s VAL 100 Ca 0.24 0.66 0.05 0.00 -2.93 0.00 0.00 61.98 60.00 2kpw s VAL 100 Cb 0.12 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 2kpw s VAL 100 CO 0.00 0.12 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.99 2kpw s LYS 101 N -0.73 0.86 0.22 1.54 2.20 -1.07 -2.48 119.74 120.28 2kpw s LYS 101 Ca 0.56 -0.99 0.12 0.00 -0.36 0.00 0.00 55.97 55.29 2kpw s LYS 101 Cb -0.41 -0.88 -0.05 0.00 -1.51 0.00 0.00 37.83 34.99 2kpw s LYS 101 CO 0.45 0.19 -0.23 0.54 -0.36 0.00 0.00 175.35 175.95 2kpw s VAL 102 N -1.33 2.41 -0.05 4.02 0.11 -0.46 -1.51 120.40 123.60 2kpw s VAL 102 Ca -0.01 -2.12 0.04 0.00 -2.93 0.00 0.00 61.98 56.96 2kpw s VAL 102 Cb -0.10 -2.18 -0.00 0.00 -1.53 0.00 0.00 36.38 32.57 2kpw s VAL 102 CO 0.02 -0.19 -0.16 -0.63 -3.33 0.00 0.00 175.10 170.81 2kpw s ILE 103 N -1.89 1.38 -0.27 7.04 -1.09 0.11 -2.80 121.20 123.69 2kpw s ILE 103 Ca 0.23 -0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 57.96 2kpw s ILE 103 Cb -0.07 -1.19 0.04 0.00 -1.58 0.00 0.00 42.46 39.66 2kpw s ILE 103 CO 0.11 0.40 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.41 2kpw s LEU 104 N 0.11 3.44 0.20 2.97 1.43 -0.33 -0.89 118.68 125.61 2kpw s LEU 104 Ca -0.05 -1.07 0.10 0.00 -1.03 0.00 0.00 54.13 52.08 2kpw s LEU 104 Cb -0.12 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2kpw s LEU 104 CO 0.02 -0.18 -0.21 -0.54 0.23 0.00 0.00 176.35 175.68 2kpw s LYS 105 N 1.27 1.44 0.72 1.70 1.02 -0.79 -0.84 119.74 124.27 2kpw s LYS 105 Ca -0.03 -1.53 -0.00 0.00 0.02 0.00 0.00 55.97 54.43 2kpw s LYS 105 Cb -0.18 -1.59 0.13 0.00 -0.52 0.00 0.00 37.83 35.67 2kpw s LYS 105 CO -0.04 0.32 0.99 -0.80 -0.92 0.00 0.00 175.35 174.91 2kpw s ASN 106 N -2.85 4.34 0.66 2.83 -0.87 -0.58 -0.32 114.94 118.16 2kpw s ASN 106 Ca 0.20 -0.39 0.38 0.00 -1.57 0.00 0.00 52.86 51.49 2kpw s ASN 106 Cb -0.06 0.02 2.10 0.00 -0.02 0.00 0.00 41.25 43.29 2kpw s ASN 106 CO 0.09 -1.87 2.21 0.77 -2.57 0.00 0.00 177.10 175.74 2kpw h SER 107 N -0.52 0.00 0.37 -1.22 4.64 -1.10 0.23 113.55 115.94 2kpw h SER 107 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2kpw h SER 107 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2kpw h SER 107 CO 0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 176.27 2kpw n GLN 108 N -3.15 0.68 0.00 4.77 6.02 -1.26 -4.93 117.38 119.51 2kpw n GLN 108 Ca -0.02 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 2kpw n GLN 108 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 1.27 3.17 3.80 1.08 0.00 0.07 -5.04 105.19 109.55 2kpw n GLY 109 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.54 3.58 -0.20 1.61 -1.05 -1.26 -4.72 118.70 116.11 2kpw s GLU 110 Ca 0.00 1.25 -0.11 0.00 -0.15 0.00 0.00 54.97 55.96 2kpw s GLU 110 Cb 0.00 -2.07 -0.05 0.00 -0.44 0.00 0.00 34.13 31.57 2kpw s GLU 110 CO 0.00 -0.60 0.16 -2.00 0.95 0.00 0.00 175.26 173.77 2kpw s GLU 111 N -3.72 4.17 -0.15 -4.83 2.12 -1.26 -1.52 118.70 113.52 2kpw s GLU 111 Ca 0.65 -0.19 -0.15 0.00 0.36 0.00 0.00 54.97 55.63 2kpw s GLU 111 Cb -0.16 -3.45 -0.13 0.00 0.26 0.00 0.00 34.13 30.66 2kpw s GLU 111 CO 0.29 0.24 0.22 0.28 -0.54 0.00 0.00 175.26 175.75 2kpw h VAL 112 N 4.75 0.72 -3.31 3.70 2.07 -1.35 -3.49 116.25 119.33 2kpw h VAL 112 Ca -0.40 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 2kpw h VAL 112 Cb 1.16 1.49 -0.09 0.00 -1.52 0.00 0.00 31.29 32.33 2kpw h VAL 112 CO 0.74 0.24 0.05 0.00 0.02 0.00 0.00 177.57 178.62 2kpw s ALA 113 N -2.46 -0.84 0.03 1.67 0.00 -1.22 -5.05 121.76 113.90 2kpw s ALA 113 Ca -0.16 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.17 2kpw s ALA 113 Cb 0.01 0.91 0.05 0.00 0.00 0.00 0.00 23.12 24.09 2kpw s ALA 113 CO 0.39 -0.88 0.52 1.14 0.00 0.00 0.00 175.76 176.93 2kpw s GLN 114 N -3.92 1.00 -0.00 0.00 -2.07 -1.26 -1.19 119.66 112.22 2kpw s GLN 114 Ca 0.13 -0.18 -0.29 0.00 -1.82 0.00 0.00 55.36 53.20 2kpw s GLN 114 Cb -0.02 0.46 0.07 0.00 -1.09 0.00 0.00 33.01 32.43 2kpw s GLN 114 CO 0.03 -0.35 0.67 0.50 -1.32 0.00 0.00 175.29 174.82 2kpw s ARG 115 N -2.21 1.10 0.53 9.60 3.52 -1.12 -5.02 118.95 125.35 2kpw s ARG 115 Ca -0.07 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 2kpw s ARG 115 Cb -0.01 0.52 0.02 0.00 -1.56 0.00 0.00 34.95 33.91 2kpw s ARG 115 CO 0.00 -0.38 0.20 -1.54 -0.81 0.00 0.00 175.30 172.77 2kpw s SER 116 N -1.58 4.38 0.45 -2.12 1.04 -1.26 -1.36 113.70 113.25 2kpw s SER 116 Ca -0.08 -1.47 -0.21 0.00 0.48 0.00 0.00 55.95 54.67 2kpw s SER 116 Cb -0.00 0.52 -0.10 0.00 0.10 0.00 0.00 66.02 66.54 2kpw s SER 116 CO 0.04 -1.00 0.99 0.42 0.98 0.00 0.00 173.24 174.67 2kpw s THR 117 N -2.84 4.11 -0.05 2.02 -4.23 -1.03 -4.83 115.64 108.79 2kpw s THR 117 Ca 0.18 1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 62.00 2kpw s THR 117 Cb -0.01 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 2kpw s THR 117 CO 0.11 -0.26 0.12 -0.69 -0.54 0.00 0.00 174.62 173.36 2kpw s VAL 118 N -2.06 5.12 -0.51 2.29 1.01 -1.26 -4.91 120.40 120.07 2kpw s VAL 118 Ca 0.64 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 2kpw s VAL 118 Cb -0.13 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 2kpw s VAL 118 CO 0.17 0.46 2.30 0.12 0.00 0.00 0.00 175.10 178.14 2kpw s PHE 119 N -1.14 1.18 0.04 5.22 5.36 -1.26 -4.95 117.98 122.43 2kpw s PHE 119 Ca 0.21 1.40 0.06 0.00 -0.96 0.00 0.00 56.93 57.64 2kpw s PHE 119 Cb -0.12 -3.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.84 2kpw s PHE 119 CO 0.11 -2.52 -0.15 0.15 -1.46 0.00 0.00 175.22 171.35 2kpw s LYS 120 N 7.99 2.18 -0.05 10.12 -0.14 -1.26 -5.01 119.74 133.57 2kpw s LYS 120 Ca 0.92 -0.93 0.25 0.00 -1.36 0.00 0.00 55.97 54.85 2kpw s LYS 120 Cb -0.17 -2.27 0.44 0.00 -1.68 0.00 0.00 37.83 34.16 2kpw s LYS 120 CO 0.25 0.55 1.16 -2.37 -0.76 0.00 0.00 175.35 174.18 2kpw n THR 121 N 1.47 0.23 1.82 2.17 5.66 -1.26 -5.21 114.28 119.16 2kpw n THR 121 Ca -0.16 -1.34 0.15 0.00 -3.05 0.00 0.00 64.05 59.65 2kpw n THR 121 Cb 0.52 1.05 0.87 0.00 -1.55 0.00 0.00 70.33 71.22 2kpw n THR 121 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37