#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 1.15 2.76 -5.12 0.00 -1.26 -2.16 105.19 100.56 2kpw n GLY 2 Ca 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 2kpw n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kpw n HIS 3 N 0.00 0.47 0.37 1.61 -0.00 -1.26 -4.89 115.22 111.51 2kpw n HIS 3 Ca 0.00 -2.00 0.12 0.00 -0.00 0.00 0.00 57.72 55.84 2kpw n HIS 3 Cb 0.00 0.18 0.22 0.00 -0.00 0.00 0.00 29.99 30.39 2kpw n HIS 3 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kpw n HIS 4 N -0.79 0.47 -2.16 1.57 -0.00 -0.92 -4.92 115.22 108.48 2kpw n HIS 4 Ca 0.01 -0.24 -0.37 0.00 -0.00 0.00 0.00 57.72 57.12 2kpw n HIS 4 Cb 0.83 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.78 2kpw n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpw s HIS 5 N -1.53 1.83 -0.13 4.41 5.65 -1.26 -4.76 115.29 119.51 2kpw s HIS 5 Ca 0.38 0.54 0.15 0.00 0.25 0.00 0.00 55.06 56.38 2kpw s HIS 5 Cb 0.23 -4.21 0.34 0.00 -1.18 0.00 0.00 32.58 27.76 2kpw s HIS 5 CO 0.32 -2.16 1.17 -2.39 -0.65 0.00 0.00 174.74 171.03 2kpw n HIS 6 N 12.18 0.00 -1.85 3.88 -0.00 -1.26 -5.02 115.22 123.15 2kpw n HIS 6 Ca 0.21 -1.02 -0.37 0.00 -0.00 0.00 0.00 57.72 56.55 2kpw n HIS 6 Cb 0.51 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.99 30.28 2kpw n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpw s HIS 7 N -2.19 1.43 -0.36 -1.40 2.46 -1.26 -4.95 115.29 109.02 2kpw s HIS 7 Ca 0.32 1.10 -0.15 0.00 0.47 0.00 0.00 55.06 56.80 2kpw s HIS 7 Cb 0.31 -3.88 -0.01 0.00 -0.13 0.00 0.00 32.58 28.87 2kpw s HIS 7 CO -0.05 -2.35 0.33 -1.01 -2.47 0.00 0.00 174.74 169.18 2kpw s HIS 8 N 10.42 3.21 -0.80 3.88 4.02 -1.26 -5.03 115.29 129.74 2kpw s HIS 8 Ca 0.79 -0.18 0.00 0.00 1.02 0.00 0.00 55.06 56.69 2kpw s HIS 8 Cb -0.14 -2.63 0.20 0.00 -1.02 0.00 0.00 32.58 28.99 2kpw s HIS 8 CO 0.22 -0.46 0.65 0.45 1.02 0.00 0.00 174.74 176.62 2kpw s SER 9 N 1.73 5.55 -0.10 1.40 0.15 -1.26 -5.03 113.70 116.14 2kpw s SER 9 Ca 0.09 -3.62 -0.01 0.00 0.70 0.00 0.00 55.95 53.11 2kpw s SER 9 Cb -0.17 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2kpw s SER 9 CO 0.11 -0.18 -0.04 -1.00 1.20 0.00 0.00 173.24 173.33 2kpw s HIS 10 N -1.18 1.15 -0.00 3.44 0.09 -1.26 -5.02 115.29 112.51 2kpw s HIS 10 Ca 0.25 -0.52 -0.01 0.00 -0.00 0.00 0.00 55.06 54.77 2kpw s HIS 10 Cb -0.09 -1.06 0.01 0.00 -0.00 0.00 0.00 32.58 31.44 2kpw s HIS 10 CO -0.12 -0.44 0.03 -1.33 -0.00 0.00 0.00 174.74 172.87 2kpw n MET 11 N 5.03 -4.81 -1.02 1.40 0.00 -1.26 -4.87 117.12 111.59 2kpw n MET 11 Ca -0.10 3.53 -0.22 0.00 0.00 0.00 0.00 57.70 60.91 2kpw n MET 11 Cb 0.50 -4.50 0.08 0.00 0.00 0.00 0.00 33.22 29.30 2kpw n MET 11 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2kpw n THR 12 N 1.70 2.96 -1.07 2.03 5.66 -1.26 -4.80 114.28 119.50 2kpw n THR 12 Ca -0.05 -1.93 -0.32 0.00 -3.05 0.00 0.00 64.05 58.70 2kpw n THR 12 Cb 0.07 -1.04 -0.02 0.00 -1.55 0.00 0.00 70.33 67.79 2kpw n THR 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kpw n GLY 13 N -0.38 3.57 0.10 1.09 0.00 -1.26 -4.35 105.19 103.97 2kpw n GLY 13 Ca 0.44 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 4.50 0.94 -4.45 1.61 3.02 -1.26 -4.88 115.26 114.75 2kpw n ASN 14 Ca 0.58 0.18 -0.36 0.00 -0.03 0.00 0.00 54.58 54.94 2kpw n ASN 14 Cb 0.22 0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.36 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 -2.55 4.32 0.10 2.41 1.01 -1.26 -1.33 120.40 123.10 2kpw s VAL 15 Ca -0.13 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.71 2kpw s VAL 15 Cb 0.07 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2kpw s VAL 15 CO 0.79 0.34 -0.09 0.00 0.00 0.00 0.00 175.10 176.14 2kpw s ILE 17 N -2.76 3.69 -0.04 0.00 1.01 -1.26 0.29 121.20 122.12 2kpw s ILE 17 Ca 0.07 1.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.83 2kpw s ILE 17 Cb -0.01 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2kpw s ILE 17 CO -0.01 0.03 -0.05 -0.08 0.00 0.00 0.00 174.94 174.83 2kpw h GLU 18 N 7.43 0.00 -3.87 2.79 4.81 -1.14 -3.46 114.58 121.13 2kpw h GLU 18 Ca -0.39 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.47 2kpw h GLU 18 Cb 1.19 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.23 2kpw h GLU 18 CO 0.88 0.00 -0.76 -2.00 -0.73 0.00 0.00 179.01 176.40 2kpw s GLU 19 N -1.39 0.54 -0.33 1.92 2.12 -0.66 -5.03 118.70 115.87 2kpw s GLU 19 Ca -0.04 -0.02 -0.10 0.00 0.36 0.00 0.00 54.97 55.17 2kpw s GLU 19 Cb 0.01 -0.63 -0.00 0.00 0.26 0.00 0.00 34.13 33.76 2kpw s GLU 19 CO 0.07 -0.10 0.17 0.42 -0.54 0.00 0.00 175.26 175.28 2kpw s ILE 20 N 0.91 4.66 0.27 -3.70 1.01 -1.26 -0.84 121.20 122.25 2kpw s ILE 20 Ca -0.11 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 2kpw s ILE 20 Cb -0.14 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 2kpw s ILE 20 CO -0.01 -0.00 1.10 -0.62 0.00 0.00 0.00 174.94 175.40 2kpw s ASP 21 N 1.61 7.28 -0.02 3.58 2.15 -0.91 -4.76 116.67 125.60 2kpw s ASP 21 Ca 0.04 2.25 0.20 0.00 0.43 0.00 0.00 52.55 55.47 2kpw s ASP 21 Cb -0.18 -2.62 -0.28 0.00 -0.30 0.00 0.00 42.92 39.54 2kpw s ASP 21 CO 0.07 -0.14 0.58 0.55 -0.17 0.00 0.00 175.17 176.06 2kpw n VAL 22 N 1.31 0.00 0.46 1.11 3.14 -1.26 -4.35 118.33 118.73 2kpw n VAL 22 Ca -0.01 -0.31 0.12 0.00 -2.96 0.00 0.00 64.34 61.18 2kpw n VAL 22 Cb 0.45 0.38 0.46 0.00 -1.06 0.00 0.00 33.84 34.08 2kpw n VAL 22 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2kpw n ASP 23 N -1.94 0.62 0.00 6.55 2.03 -1.26 -4.68 116.55 117.88 2kpw n ASP 23 Ca -0.01 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.93 2kpw n ASP 23 Cb 0.45 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 2kpw n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kpw n GLY 24 N 0.28 1.88 0.72 0.27 0.00 -1.24 -4.87 105.19 102.23 2kpw n GLY 24 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.08 0.19 -4.00 1.61 4.01 -1.26 -3.82 118.16 113.81 2kpw n LYS 25 Ca 0.00 0.08 -0.10 0.00 -0.51 0.00 0.00 58.31 57.78 2kpw n LYS 25 Cb 0.01 -0.82 -0.07 0.00 -0.51 0.00 0.00 35.03 33.64 2kpw n LYS 25 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 2kpw s PHE 26 N -2.23 0.47 -0.25 2.13 -0.71 -1.26 -1.48 117.98 114.64 2kpw s PHE 26 Ca -0.12 -0.82 -0.02 0.00 -1.04 0.00 0.00 56.93 54.94 2kpw s PHE 26 Cb 0.03 -0.04 0.08 0.00 -1.21 0.00 0.00 43.02 41.88 2kpw s PHE 26 CO 0.16 -0.80 0.06 0.42 -1.34 0.00 0.00 175.22 173.72 2kpw s ILE 27 N -4.01 0.77 -0.26 -4.49 1.01 0.32 -2.14 121.20 112.41 2kpw s ILE 27 Ca 0.21 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 59.66 2kpw s ILE 27 Cb 0.02 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 2kpw s ILE 27 CO 0.04 -0.42 0.58 -0.60 0.00 0.00 0.00 174.94 174.54 2kpw s ARG 28 N 1.71 4.09 0.43 2.79 3.52 -0.02 -0.40 118.95 131.07 2kpw s ARG 28 Ca 0.04 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 2kpw s ARG 28 Cb -0.17 -3.65 0.08 0.00 -1.56 0.00 0.00 34.95 29.65 2kpw s ARG 28 CO -0.17 -0.39 0.58 1.28 -0.81 0.00 0.00 175.30 175.80 2kpw n LEU 29 N 5.64 0.00 -3.66 -0.88 4.32 -0.31 -0.69 117.00 121.43 2kpw n LEU 29 Ca -0.02 -1.32 -0.11 0.00 -0.02 0.00 0.00 56.01 54.54 2kpw n LEU 29 Cb 0.49 -0.37 -0.08 0.00 -1.62 0.00 0.00 43.42 41.84 2kpw n LEU 29 CO 0.42 -0.77 0.29 -0.75 -1.22 0.00 0.00 177.39 175.36 2kpw s LYS 30 N -3.95 0.67 -0.29 3.23 2.20 0.14 -3.33 119.74 118.41 2kpw s LYS 30 Ca 0.40 0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 56.92 2kpw s LYS 30 Cb -0.02 0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 2kpw s LYS 30 CO 0.26 -0.12 0.08 1.21 -0.36 0.00 0.00 175.35 176.42 2kpw s ASN 31 N 0.93 5.10 -0.15 1.43 2.47 -0.26 -0.76 114.94 123.70 2kpw s ASN 31 Ca -0.05 -0.67 0.17 0.00 0.42 0.00 0.00 52.86 52.72 2kpw s ASN 31 Cb -0.05 -1.88 0.71 0.00 -1.45 0.00 0.00 41.25 38.58 2kpw s ASN 31 CO -0.08 -0.18 1.62 1.07 -3.72 0.00 0.00 177.10 175.81 2kpw n THR 32 N 4.87 2.11 -1.41 -5.21 5.66 -0.44 -1.19 114.28 118.66 2kpw n THR 32 Ca -0.15 -1.33 -0.36 0.00 -3.05 0.00 0.00 64.05 59.16 2kpw n THR 32 Cb 0.48 -0.01 0.08 0.00 -1.55 0.00 0.00 70.33 69.33 2kpw n THR 32 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2kpw n SER 33 N 0.76 0.29 -0.24 1.09 3.41 -1.26 -4.85 113.62 112.82 2kpw n SER 33 Ca 0.25 0.69 0.15 0.00 -0.26 0.00 0.00 58.87 59.70 2kpw n SER 33 Cb 0.96 -1.37 0.72 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.47 1.29 -3.48 4.33 1.02 -1.26 -4.39 120.64 116.69 2kpw n GLU 34 Ca 0.13 -0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 56.68 2kpw n GLU 34 Cb 0.49 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.40 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 -2.03 1.21 -0.19 3.49 0.74 -1.26 -5.02 119.66 116.60 2kpw s GLN 35 Ca 0.42 -0.48 -0.29 0.00 0.05 0.00 0.00 55.36 55.07 2kpw s GLN 35 Cb 0.21 0.54 -0.06 0.00 1.10 0.00 0.00 33.01 34.80 2kpw s GLN 35 CO 0.36 -0.53 2.19 -0.25 -0.55 0.00 0.00 175.29 176.51 2kpw n ASP 36 N -0.36 3.35 -4.63 6.67 8.00 -1.26 -4.20 116.55 124.12 2kpw n ASP 36 Ca -0.14 0.31 -0.35 0.00 0.71 0.00 0.00 54.79 55.32 2kpw n ASP 36 Cb 0.64 -1.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.10 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 6.09 3.75 0.21 -1.24 -1.52 -0.73 -4.91 119.66 121.31 2kpw s GLN 37 Ca 1.00 -0.37 -0.32 0.00 -1.95 0.00 0.00 55.36 53.71 2kpw s GLN 37 Cb -0.37 -3.10 -0.14 0.00 -0.22 0.00 0.00 33.01 29.19 2kpw s GLN 37 CO 0.37 0.37 1.46 -2.30 -0.25 0.00 0.00 175.29 174.93 2kpw n PRO 38 N 3.22 2.04 0.00 2.91 -0.02 -1.26 0.38 135.00 142.27 2kpw n PRO 38 Ca -0.17 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2kpw n PRO 38 Cb 0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2kpw n PRO 38 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2kpw n MET 39 N 2.52 0.00 0.00 -0.52 1.56 -1.20 -4.74 117.12 114.74 2kpw n MET 39 Ca 0.14 0.58 0.00 0.00 -0.27 0.00 0.00 57.70 58.14 2kpw n MET 39 Cb 0.30 -1.39 0.00 0.00 2.15 0.00 0.00 33.22 34.28 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 -0.93 -0.39 3.56 -5.12 0.00 -1.26 -4.75 105.19 96.30 2kpw n GLY 40 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 2kpw n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kpw s GLY 41 N -2.21 0.33 0.18 -0.02 0.00 -1.26 -4.61 107.32 99.73 2kpw s GLY 41 Ca 0.00 -1.67 0.04 0.00 0.00 0.00 0.00 44.72 43.09 2kpw s GLY 41 CO 0.00 3.38 0.24 -0.98 0.00 0.00 0.00 173.10 175.75 2kpw s TRP 42 N 9.43 3.33 -0.17 1.90 0.52 -1.26 0.55 118.94 133.25 2kpw s TRP 42 Ca 0.67 0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.77 2kpw s TRP 42 Cb -0.05 -1.57 0.08 0.00 -1.15 0.00 0.00 33.47 30.78 2kpw s TRP 42 CO -0.01 0.50 0.26 -2.00 0.02 0.00 0.00 176.95 175.73 2kpw s GLU 43 N -3.40 0.19 -0.36 4.98 2.12 0.69 -1.10 118.70 121.81 2kpw s GLU 43 Ca 0.33 0.54 -0.18 0.00 0.36 0.00 0.00 54.97 56.02 2kpw s GLU 43 Cb -0.10 -0.49 0.00 0.00 0.26 0.00 0.00 34.13 33.80 2kpw s GLU 43 CO 0.27 -0.46 0.51 1.41 -0.54 0.00 0.00 175.26 176.45 2kpw s MET 44 N 2.40 3.54 -0.43 4.30 -2.45 0.23 -0.56 119.30 126.33 2kpw s MET 44 Ca 0.05 -0.25 -0.13 0.00 -1.25 0.00 0.00 55.69 54.10 2kpw s MET 44 Cb -0.14 -3.84 0.06 0.00 1.25 0.00 0.00 34.83 32.16 2kpw s MET 44 CO -0.11 -0.69 0.32 0.42 1.05 0.00 0.00 175.02 176.01 2kpw s ILE 45 N 2.39 4.92 -0.25 10.11 1.09 0.67 -1.18 121.20 138.95 2kpw s ILE 45 Ca 0.18 -1.02 -0.11 0.00 -1.10 0.00 0.00 60.65 58.60 2kpw s ILE 45 Cb -0.16 -3.88 -0.05 0.00 -1.06 0.00 0.00 42.46 37.32 2kpw s ILE 45 CO 0.14 -0.45 0.21 -0.60 -0.10 0.00 0.00 174.94 174.13 2kpw s ARG 46 N 1.59 4.05 -0.19 2.79 3.52 0.67 -0.45 118.95 130.92 2kpw s ARG 46 Ca 0.04 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 2kpw s ARG 46 Cb -0.22 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.63 2kpw s ARG 46 CO 0.06 -0.02 -0.15 0.15 -0.81 0.00 0.00 175.30 174.53 2kpw s LYS 47 N 1.30 2.49 -0.13 5.12 1.02 0.06 -2.14 119.74 127.46 2kpw s LYS 47 Ca 0.09 -0.88 0.16 0.00 0.02 0.00 0.00 55.97 55.36 2kpw s LYS 47 Cb -0.14 -2.50 -0.23 0.00 -0.52 0.00 0.00 37.83 34.43 2kpw s LYS 47 CO 0.07 -0.33 0.15 1.51 -0.92 0.00 0.00 175.35 175.82 2kpw n ILE 48 N 4.63 0.86 0.00 2.17 3.06 -1.26 -0.54 119.36 128.27 2kpw n ILE 48 Ca -0.17 -0.64 0.00 0.00 -2.50 0.00 0.00 62.75 59.44 2kpw n ILE 48 Cb 0.48 -0.39 0.00 0.00 0.54 0.00 0.00 39.64 40.27 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 1.83 5.13 0.24 4.50 0.00 -1.26 -4.82 105.19 110.82 2kpw n GLY 49 Ca -0.21 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2kpw n GLY 49 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kpw h ASP 50 N 0.00 0.94 -4.25 1.61 3.32 -2.02 -3.45 116.42 112.57 2kpw h ASP 50 Ca 0.00 -0.53 -0.49 0.00 0.02 0.00 0.00 57.03 56.03 2kpw h ASP 50 Cb 0.00 -0.27 0.04 0.00 0.22 0.00 0.00 39.33 39.32 2kpw h ASP 50 CO 0.00 1.29 0.39 0.28 -1.72 0.00 0.00 179.24 179.48 2kpw s THR 51 N -4.13 4.47 0.07 0.35 -1.32 -1.26 -5.10 115.64 108.73 2kpw s THR 51 Ca -0.11 1.04 0.03 0.00 -1.21 0.00 0.00 61.69 61.44 2kpw s THR 51 Cb 0.10 -3.71 -0.03 0.00 -1.51 0.00 0.00 72.50 67.35 2kpw s THR 51 CO 0.88 -0.82 -0.10 -0.94 -2.21 0.00 0.00 174.62 171.43 2kpw s SER 52 N -3.42 1.28 -0.01 8.08 1.04 -1.26 -4.27 113.70 115.14 2kpw s SER 52 Ca 0.58 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 56.34 2kpw s SER 52 Cb -0.11 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.02 2kpw s SER 52 CO 0.40 -0.21 -0.06 0.54 0.98 0.00 0.00 173.24 174.89 2kpw s VAL 53 N -1.88 0.51 0.43 5.02 0.11 -0.91 -4.99 120.40 118.70 2kpw s VAL 53 Ca -0.01 -0.27 0.07 0.00 -2.93 0.00 0.00 61.98 58.84 2kpw s VAL 53 Cb -0.06 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2kpw s VAL 53 CO 0.00 0.15 0.26 -0.94 -3.33 0.00 0.00 175.10 171.24 2kpw s SER 54 N -0.09 4.62 -0.30 3.54 1.04 -1.26 -0.24 113.70 121.01 2kpw s SER 54 Ca 0.02 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.37 2kpw s SER 54 Cb -0.03 -0.36 0.17 0.00 0.10 0.00 0.00 66.02 65.90 2kpw s SER 54 CO -0.00 -0.66 0.64 -0.47 0.98 0.00 0.00 173.24 173.73 2kpw s TYR 55 N -2.60 -1.46 -0.09 5.02 5.04 -0.33 -4.84 117.35 118.09 2kpw s TYR 55 Ca 0.41 1.93 -0.27 0.00 -2.44 0.00 0.00 57.07 56.71 2kpw s TYR 55 Cb 0.01 0.66 -0.02 0.00 0.35 0.00 0.00 41.96 42.95 2kpw s TYR 55 CO 0.23 -0.77 0.86 0.21 -1.34 0.00 0.00 175.55 174.74 2kpw s LYS 56 N 2.87 4.42 -0.11 4.97 2.20 -1.26 -0.60 119.74 132.23 2kpw s LYS 56 Ca 0.09 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.55 2kpw s LYS 56 Cb -0.14 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2kpw s LYS 56 CO -0.20 -0.16 1.30 0.71 -0.36 0.00 0.00 175.35 176.64 2kpw s TYR 57 N 1.51 2.85 -0.06 4.03 1.51 -0.26 -4.97 117.35 121.96 2kpw s TYR 57 Ca 0.43 0.96 -0.30 0.00 -1.01 0.00 0.00 57.07 57.15 2kpw s TYR 57 Cb -0.18 -3.54 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 2kpw s TYR 57 CO 0.18 -1.89 1.55 -0.08 -1.11 0.00 0.00 175.55 174.20 2kpw s THR 58 N 3.08 3.70 -0.16 -0.71 -1.32 -1.26 -4.38 115.64 114.59 2kpw s THR 58 Ca 0.58 0.90 0.00 0.00 -1.21 0.00 0.00 61.69 61.96 2kpw s THR 58 Cb -0.25 -3.58 0.17 0.00 -1.51 0.00 0.00 72.50 67.34 2kpw s THR 58 CO 0.19 -0.07 1.56 -1.20 -2.21 0.00 0.00 174.62 172.90 2kpw n SER 59 N 6.72 4.33 0.00 8.08 7.64 -1.26 -4.31 113.62 134.82 2kpw n SER 59 Ca 0.16 -2.61 0.14 0.00 1.01 0.00 0.00 58.87 57.57 2kpw n SER 59 Cb 0.43 -0.79 0.76 0.00 -1.01 0.00 0.00 64.21 63.60 2kpw n SER 59 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kpw n ARG 60 N 0.32 0.58 -3.88 1.43 1.85 -1.26 -4.84 116.66 110.86 2kpw n ARG 60 Ca 0.18 0.01 -0.08 0.00 -1.00 0.00 0.00 57.85 56.97 2kpw n ARG 60 Cb 0.73 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.62 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 -2.37 -0.02 -0.01 2.89 1.13 -1.26 -4.99 117.35 112.71 2kpw s TYR 61 Ca 0.33 -0.46 -0.15 0.00 -1.41 0.00 0.00 57.07 55.38 2kpw s TYR 61 Cb 0.19 0.64 -0.06 0.00 -1.10 0.00 0.00 41.96 41.64 2kpw s TYR 61 CO 0.40 -1.26 0.43 0.14 -2.51 0.00 0.00 175.55 172.74 2kpw s VAL 62 N -3.62 5.03 -0.58 -3.49 -7.23 -1.26 -3.26 120.40 105.99 2kpw s VAL 62 Ca 0.14 0.87 -0.27 0.00 -1.81 0.00 0.00 61.98 60.92 2kpw s VAL 62 Cb -0.05 -3.74 0.03 0.00 0.56 0.00 0.00 36.38 33.19 2kpw s VAL 62 CO 0.08 0.55 1.11 -0.22 -0.31 0.00 0.00 175.10 176.31 2kpw s LEU 63 N -0.87 3.68 0.65 1.32 1.98 0.16 -4.86 118.68 120.73 2kpw s LEU 63 Ca 0.24 -0.09 -0.16 0.00 -2.89 0.00 0.00 54.13 51.24 2kpw s LEU 63 Cb -0.17 -3.02 -0.01 0.00 0.66 0.00 0.00 46.19 43.66 2kpw s LEU 63 CO 0.13 -1.41 1.12 -0.54 -1.89 0.00 0.00 176.35 173.77 2kpw s LYS 64 N 4.63 2.82 0.29 1.98 1.02 -1.26 -1.77 119.74 127.45 2kpw s LYS 64 Ca 0.38 1.45 -0.29 0.00 0.02 0.00 0.00 55.97 57.53 2kpw s LYS 64 Cb -0.09 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.17 2kpw s LYS 64 CO 0.23 -1.24 1.36 0.00 -0.92 0.00 0.00 175.35 174.78 2kpw s ALA 65 N -2.23 3.55 0.00 5.17 0.00 -1.26 -2.92 121.76 124.07 2kpw s ALA 65 Ca 0.68 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.93 2kpw s ALA 65 Cb -0.22 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2kpw s ALA 65 CO 0.40 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2kpw n GLY 66 N 1.46 0.83 3.74 0.00 0.00 -0.33 -5.01 105.19 105.87 2kpw n GLY 66 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2kpw n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kpw s GLN 67 N -0.06 4.36 -1.02 1.61 1.11 -1.15 -4.87 119.66 119.65 2kpw s GLN 67 Ca 0.00 0.71 -0.11 0.00 0.01 0.00 0.00 55.36 55.97 2kpw s GLN 67 Cb 0.00 -3.39 0.26 0.00 -1.01 0.00 0.00 33.01 28.86 2kpw s GLN 67 CO 0.00 0.23 0.99 0.95 0.01 0.00 0.00 175.29 177.48 2kpw s THR 68 N 0.28 5.87 -0.35 -0.19 -4.23 -1.26 -1.10 115.64 114.67 2kpw s THR 68 Ca 0.32 -3.10 -0.29 0.00 -1.18 0.00 0.00 61.69 57.44 2kpw s THR 68 Cb -0.17 -4.56 -0.07 0.00 1.34 0.00 0.00 72.50 69.04 2kpw s THR 68 CO 0.16 -1.13 2.30 0.55 -0.54 0.00 0.00 174.62 175.95 2kpw n VAL 69 N 3.13 0.18 -3.28 2.29 3.14 -1.21 -4.68 118.33 117.89 2kpw n VAL 69 Ca 0.20 -0.52 -0.39 0.00 -2.96 0.00 0.00 64.34 60.67 2kpw n VAL 69 Cb 0.42 -2.44 -0.08 0.00 -1.06 0.00 0.00 33.84 30.68 2kpw n VAL 69 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2kpw s THR 70 N 9.42 5.11 -0.55 1.55 2.01 -1.26 -1.16 115.64 130.76 2kpw s THR 70 Ca 1.03 0.82 -0.26 0.00 0.31 0.00 0.00 61.69 63.58 2kpw s THR 70 Cb -0.39 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.35 2kpw s THR 70 CO 0.35 0.13 1.06 -0.63 -0.69 0.00 0.00 174.62 174.84 2kpw s ILE 71 N 2.04 4.23 0.28 1.82 -1.09 0.47 -3.13 121.20 125.82 2kpw s ILE 71 Ca 0.20 0.66 -0.22 0.00 -2.23 0.00 0.00 60.65 59.06 2kpw s ILE 71 Cb -0.15 -4.61 -0.09 0.00 -1.58 0.00 0.00 42.46 36.02 2kpw s ILE 71 CO 0.09 -1.17 0.83 0.26 -1.23 0.00 0.00 174.94 173.72 2kpw s TRP 72 N 4.38 3.65 0.79 3.97 0.52 -0.92 -0.52 118.94 130.80 2kpw s TRP 72 Ca 0.38 1.57 -0.12 0.00 0.02 0.00 0.00 56.10 57.94 2kpw s TRP 72 Cb -0.10 -2.76 0.07 0.00 -1.15 0.00 0.00 33.47 29.53 2kpw s TRP 72 CO 0.24 0.26 1.14 0.00 0.02 0.00 0.00 176.95 178.61 2kpw s ALA 73 N -1.60 2.01 0.52 0.98 0.00 -0.55 0.34 121.76 123.46 2kpw s ALA 73 Ca 0.47 0.58 0.29 0.00 0.00 0.00 0.00 51.96 53.30 2kpw s ALA 73 Cb -0.17 -3.39 1.43 0.00 0.00 0.00 0.00 23.12 20.99 2kpw s ALA 73 CO 0.22 -2.03 1.91 0.00 0.00 0.00 0.00 175.76 175.86 2kpw h ALA 74 N -0.95 2.71 -0.08 0.00 0.00 -0.96 -0.21 119.26 119.76 2kpw h ALA 74 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2kpw h ALA 74 Cb 1.26 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2kpw h ALA 74 CO 0.48 -0.94 0.05 0.09 0.00 0.00 0.00 179.25 178.93 2kpw n ASN 75 N -4.32 2.84 -0.17 0.00 3.02 -1.26 -4.27 115.26 111.10 2kpw n ASN 75 Ca 0.17 -2.13 -0.03 0.00 -0.03 0.00 0.00 54.58 52.56 2kpw n ASN 75 Cb 0.86 -0.53 0.18 0.00 -0.61 0.00 0.00 39.78 39.67 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 1.95 1.22 0.00 5.41 0.00 -1.37 -3.47 119.26 123.00 2kpw h ALA 76 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kpw h ALA 76 Cb 1.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2kpw h ALA 76 CO 0.09 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2kpw n GLY 77 N -0.95 1.51 1.49 0.00 0.00 -1.26 -4.96 105.19 101.01 2kpw n GLY 77 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.00 -1.49 1.61 0.24 -1.26 -4.88 118.33 112.55 2kpw n VAL 78 Ca 0.00 -0.33 -0.44 0.00 -2.04 0.00 0.00 64.34 61.52 2kpw n VAL 78 Cb 0.00 -1.61 -0.08 0.00 -1.47 0.00 0.00 33.84 30.69 2kpw n VAL 78 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kpw n THR 79 N -2.93 0.07 1.89 3.34 -1.04 -1.26 -4.80 114.28 109.55 2kpw n THR 79 Ca 0.06 -0.36 0.14 0.00 -2.04 0.00 0.00 64.05 61.85 2kpw n THR 79 Cb 0.23 -1.72 0.76 0.00 -1.82 0.00 0.00 70.33 67.78 2kpw n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kpw n ALA 80 N 11.75 2.65 -3.89 2.41 0.00 -1.26 -4.72 120.51 127.44 2kpw n ALA 80 Ca 0.46 -0.23 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 2kpw n ALA 80 Cb 0.28 -1.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.87 3.80 1.28 0.00 0.15 -1.26 -4.57 113.70 111.22 2kpw s SER 81 Ca 0.41 -0.74 -0.19 0.00 0.70 0.00 0.00 55.95 56.13 2kpw s SER 81 Cb 0.19 -1.58 0.30 0.00 -1.71 0.00 0.00 66.02 63.21 2kpw s SER 81 CO 0.32 -0.06 0.67 -2.65 1.20 0.00 0.00 173.24 172.72 2kpw n PRO 82 N 4.65 -3.71 -2.53 5.44 -0.02 -1.26 -4.82 135.00 132.75 2kpw n PRO 82 Ca -0.19 -1.10 -0.42 0.00 -2.02 0.00 0.00 63.50 59.77 2kpw n PRO 82 Cb 0.49 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 2kpw n PRO 82 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2kpw s PRO 83 N -4.39 4.39 0.00 0.52 0.04 -1.26 -5.14 135.00 129.16 2kpw s PRO 83 Ca 0.55 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2kpw s PRO 83 Cb -0.11 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2kpw s PRO 83 CO 0.48 -0.36 0.00 -2.37 0.04 0.00 0.00 177.00 174.79 2kpw n THR 84 N 4.46 0.00 -1.55 1.26 5.66 -1.26 -5.08 114.28 117.77 2kpw n THR 84 Ca 0.10 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.66 2kpw n THR 84 Cb 0.47 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.21 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 0.49 2.77 -4.46 1.09 9.92 -1.26 -4.81 116.55 120.30 2kpw n ASP 85 Ca 0.00 0.12 -0.49 0.00 -0.53 0.00 0.00 54.79 53.89 2kpw n ASP 85 Cb 0.00 -1.48 -0.07 0.00 -0.64 0.00 0.00 41.12 38.93 2kpw n ASP 85 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2kpw n LEU 86 N 12.00 2.13 -4.65 0.64 4.77 -1.18 -4.64 117.00 126.06 2kpw n LEU 86 Ca 0.35 0.35 -0.43 0.00 -0.03 0.00 0.00 56.01 56.25 2kpw n LEU 86 Cb 0.40 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 2kpw n LEU 86 CO 0.70 -0.77 1.08 -0.63 -1.33 0.00 0.00 177.39 176.44 2kpw s ILE 87 N 7.64 4.28 0.20 -0.08 1.09 -1.26 -2.17 121.20 130.90 2kpw s ILE 87 Ca 1.10 1.51 -0.30 0.00 -1.10 0.00 0.00 60.65 61.86 2kpw s ILE 87 Cb -0.82 -4.11 -0.09 0.00 -1.06 0.00 0.00 42.46 36.38 2kpw s ILE 87 CO 0.47 -0.29 1.28 0.86 -0.10 0.00 0.00 174.94 177.16 2kpw s TRP 88 N 3.80 3.29 -0.12 3.97 -0.00 0.15 -4.89 118.94 125.15 2kpw s TRP 88 Ca 0.54 1.29 0.16 0.00 -0.00 0.00 0.00 56.10 58.08 2kpw s TRP 88 Cb -0.19 -3.56 0.38 0.00 -0.00 0.00 0.00 33.47 30.10 2kpw s TRP 88 CO 0.17 -1.69 1.18 1.63 -0.00 0.00 0.00 176.95 178.24 2kpw n LYS 89 N 2.47 0.97 0.00 5.86 5.02 -1.26 -2.27 118.16 128.95 2kpw n LYS 89 Ca 0.05 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.68 2kpw n LYS 89 Cb 0.43 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 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 -0.60 4.64 -4.09 4.39 4.13 -1.26 -5.03 115.26 117.44 2kpw n ASN 90 Ca 0.13 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.23 2kpw n ASN 90 Cb 0.82 0.61 -0.13 0.00 -1.54 0.00 0.00 39.78 39.55 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 -1.90 0.68 0.12 3.52 0.74 -1.26 -5.04 119.66 116.52 2kpw s GLN 91 Ca 0.00 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.72 2kpw s GLN 91 Cb 0.00 -0.60 0.02 0.00 1.10 0.00 0.00 33.01 33.54 2kpw s GLN 91 CO 0.00 0.14 0.16 0.09 -0.55 0.00 0.00 175.29 175.13 2kpw n ASN 92 N 1.80 0.29 -4.70 6.67 3.02 -1.26 -2.01 115.26 119.07 2kpw n ASN 92 Ca -0.20 -1.22 -0.42 0.00 -0.03 0.00 0.00 54.58 52.71 2kpw n ASN 92 Cb 0.55 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.94 4.06 -4.53 6.41 7.64 -1.26 -4.67 113.62 118.32 2kpw n SER 93 Ca 0.03 1.01 -0.39 0.00 1.01 0.00 0.00 58.87 60.54 2kpw n SER 93 Cb 0.10 -1.56 -0.11 0.00 -1.01 0.00 0.00 64.21 61.63 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 2.15 3.20 -0.60 1.43 -2.14 -1.25 -5.03 118.94 116.70 2kpw s TRP 94 Ca 0.79 -0.15 0.04 0.00 2.66 0.00 0.00 56.10 59.45 2kpw s TRP 94 Cb -0.48 -2.38 0.15 0.00 -3.10 0.00 0.00 33.47 27.65 2kpw s TRP 94 CO 0.35 -0.29 0.37 0.20 -2.66 0.00 0.00 176.95 174.93 2kpw s GLY 95 N 1.71 2.62 0.00 3.67 0.00 -1.26 -3.67 107.32 110.39 2kpw s GLY 95 Ca 0.06 -3.50 0.00 0.00 0.00 0.00 0.00 44.72 41.29 2kpw s GLY 95 CO 0.09 1.09 0.00 -1.30 0.00 0.00 0.00 173.10 172.99 2kpw n THR 96 N 2.58 0.00 -0.93 0.90 -2.24 -1.26 -5.03 114.28 108.29 2kpw n THR 96 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2kpw n THR 96 Cb 0.34 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2kpw n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kpw n GLY 97 N 2.37 0.69 3.88 3.38 0.00 -1.26 -5.04 105.19 109.22 2kpw n GLY 97 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.07 3.62 0.18 1.61 0.41 -1.26 -4.76 118.70 118.43 2kpw s GLU 98 Ca 0.00 -0.04 -0.31 0.00 -0.41 0.00 0.00 54.97 54.20 2kpw s GLU 98 Cb 0.00 -3.03 -0.10 0.00 -1.78 0.00 0.00 34.13 29.22 2kpw s GLU 98 CO 0.00 0.60 1.54 -0.51 -0.49 0.00 0.00 175.26 176.40 2kpw s ASP 99 N -1.86 6.60 -0.14 -0.19 1.11 -1.26 -5.01 116.67 115.92 2kpw s ASP 99 Ca 0.31 2.62 0.02 0.00 0.18 0.00 0.00 52.55 55.69 2kpw s ASP 99 Cb -0.13 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.26 2kpw s ASP 99 CO 0.18 -0.80 -0.21 0.54 1.18 0.00 0.00 175.17 176.07 2kpw s VAL 100 N 0.89 2.21 -0.33 -1.27 0.11 -1.26 -4.76 120.40 115.99 2kpw s VAL 100 Ca 0.68 -0.94 -0.20 0.00 -2.93 0.00 0.00 61.98 58.59 2kpw s VAL 100 Cb -0.43 -1.89 -0.00 0.00 -1.53 0.00 0.00 36.38 32.53 2kpw s VAL 100 CO 0.34 0.54 0.62 -0.75 -3.33 0.00 0.00 175.10 172.52 2kpw s LYS 101 N 0.72 3.78 -0.23 1.54 2.20 0.29 -3.51 119.74 124.54 2kpw s LYS 101 Ca -0.09 0.14 -0.08 0.00 -0.36 0.00 0.00 55.97 55.59 2kpw s LYS 101 Cb -0.16 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 2kpw s LYS 101 CO 0.00 -0.65 0.08 0.08 -0.36 0.00 0.00 175.35 174.51 2kpw s VAL 102 N 2.62 4.60 -0.16 4.02 1.01 -0.28 -0.76 120.40 131.46 2kpw s VAL 102 Ca 0.24 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2kpw s VAL 102 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2kpw s VAL 102 CO 0.13 0.37 0.02 -0.63 0.00 0.00 0.00 175.10 175.00 2kpw s ILE 103 N 1.17 4.43 -0.34 2.22 -1.09 0.40 -2.26 121.20 125.72 2kpw s ILE 103 Ca 0.05 -0.17 -0.10 0.00 -2.23 0.00 0.00 60.65 58.20 2kpw s ILE 103 Cb -0.14 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 2kpw s ILE 103 CO 0.04 0.50 0.17 -0.76 -1.23 0.00 0.00 174.94 173.65 2kpw s LEU 104 N 0.14 4.39 0.43 2.97 1.43 0.56 -0.24 118.68 128.37 2kpw s LEU 104 Ca 0.02 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 2kpw s LEU 104 Cb -0.13 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2kpw s LEU 104 CO 0.01 -0.30 0.17 -0.54 0.23 0.00 0.00 176.35 175.93 2kpw s LYS 105 N 1.56 2.20 0.00 1.70 1.02 0.27 -1.33 119.74 125.15 2kpw s LYS 105 Ca 0.03 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.07 2kpw s LYS 105 Cb -0.18 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2kpw s LYS 105 CO 0.06 -0.18 0.00 0.09 -0.92 0.00 0.00 175.35 174.40 2kpw n ASN 106 N -1.26 1.48 0.18 2.83 4.13 -1.14 -0.22 115.26 121.25 2kpw n ASN 106 Ca -0.03 -0.74 0.16 0.00 1.68 0.00 0.00 54.58 55.65 2kpw n ASN 106 Cb 0.65 0.00 0.78 0.00 -1.54 0.00 0.00 39.78 39.68 2kpw n ASN 106 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2kpw h SER 107 N 0.00 0.00 0.19 6.41 0.87 -0.24 -0.56 113.55 120.22 2kpw h SER 107 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kpw h SER 107 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kpw h SER 107 CO 0.00 0.00 -0.75 0.00 -0.53 0.00 0.00 176.83 175.55 2kpw n GLN 108 N -4.00 0.12 -0.13 2.24 6.02 -1.26 -4.96 117.38 115.41 2kpw n GLN 108 Ca 0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2kpw n GLN 108 Cb 0.33 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 1.49 0.92 3.69 1.08 0.00 -0.22 -5.06 105.19 107.08 2kpw n GLY 109 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.87 4.30 -0.49 1.61 1.03 -1.26 -4.74 118.70 118.28 2kpw s GLU 110 Ca 0.00 1.89 -0.28 0.00 0.03 0.00 0.00 54.97 56.60 2kpw s GLU 110 Cb 0.00 -3.58 0.01 0.00 -0.80 0.00 0.00 34.13 29.76 2kpw s GLU 110 CO 0.00 -0.55 1.43 -2.00 -1.33 0.00 0.00 175.26 172.81 2kpw s GLU 111 N 2.40 3.41 -0.24 -4.83 2.12 -1.26 -2.90 118.70 117.40 2kpw s GLU 111 Ca 0.62 0.68 0.06 0.00 0.36 0.00 0.00 54.97 56.69 2kpw s GLU 111 Cb -0.29 -4.09 -0.19 0.00 0.26 0.00 0.00 34.13 29.82 2kpw s GLU 111 CO 0.25 -1.79 -0.14 1.33 -0.54 0.00 0.00 175.26 174.37 2kpw n VAL 112 N 6.98 1.42 -3.69 3.70 0.24 -0.44 -4.98 118.33 121.56 2kpw n VAL 112 Ca 0.15 -0.63 -0.18 0.00 -2.04 0.00 0.00 64.34 61.64 2kpw n VAL 112 Cb 0.49 -1.15 -0.17 0.00 -1.47 0.00 0.00 33.84 31.54 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 -2.50 0.04 0.00 2.33 0.00 -1.16 -5.03 121.76 115.45 2kpw s ALA 113 Ca -0.27 0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.12 2kpw s ALA 113 Cb 0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2kpw s ALA 113 CO 0.64 -0.42 -0.20 1.14 0.00 0.00 0.00 175.76 176.92 2kpw s GLN 114 N 1.94 1.53 -0.03 0.00 -2.07 -1.26 -0.32 119.66 119.44 2kpw s GLN 114 Ca 0.01 -0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 52.47 2kpw s GLN 114 Cb -0.12 -1.53 0.08 0.00 -1.09 0.00 0.00 33.01 30.35 2kpw s GLN 114 CO -0.04 0.41 0.72 0.50 -1.32 0.00 0.00 175.29 175.56 2kpw s ARG 115 N -0.70 1.02 0.27 9.60 3.52 -0.96 -5.03 118.95 126.67 2kpw s ARG 115 Ca 0.07 0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.82 2kpw s ARG 115 Cb -0.08 0.48 -0.03 0.00 -1.56 0.00 0.00 34.95 33.75 2kpw s ARG 115 CO 0.00 -0.34 0.22 -1.54 -0.81 0.00 0.00 175.30 172.83 2kpw s SER 116 N -1.44 0.89 1.14 -2.12 1.04 -1.26 -1.12 113.70 110.83 2kpw s SER 116 Ca -0.07 -1.56 -0.17 0.00 0.48 0.00 0.00 55.95 54.62 2kpw s SER 116 Cb -0.00 0.48 0.26 0.00 0.10 0.00 0.00 66.02 66.85 2kpw s SER 116 CO 0.05 -0.97 1.11 0.42 0.98 0.00 0.00 173.24 174.83 2kpw s THR 117 N -3.78 1.73 -0.61 2.02 -4.23 -1.23 -4.87 115.64 104.67 2kpw s THR 117 Ca 0.39 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.95 2kpw s THR 117 Cb 0.04 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.56 2kpw s THR 117 CO 0.20 0.00 0.46 0.52 -0.54 0.00 0.00 174.62 175.25 2kpw n VAL 118 N -4.58 0.71 -2.47 2.29 0.31 -1.26 -4.88 118.33 108.45 2kpw n VAL 118 Ca 0.11 -4.40 -0.15 0.00 -0.01 0.00 0.00 64.34 59.89 2kpw n VAL 118 Cb 0.59 -2.01 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 2kpw n VAL 118 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2kpw n PHE 119 N 2.19 -1.04 -4.25 3.52 3.01 -1.26 -4.93 117.46 114.70 2kpw n PHE 119 Ca 0.24 0.43 -0.34 0.00 1.01 0.00 0.00 57.45 58.79 2kpw n PHE 119 Cb 0.40 -0.92 -0.15 0.00 -0.01 0.00 0.00 39.48 38.80 2kpw n PHE 119 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2kpw s LYS 120 N -1.94 3.21 -0.76 -1.08 2.20 -1.26 -5.07 119.74 115.03 2kpw s LYS 120 Ca 0.10 -0.73 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 2kpw s LYS 120 Cb -0.01 -2.72 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 2kpw s LYS 120 CO 0.38 -0.10 1.35 -0.08 -0.36 0.00 0.00 175.35 176.55 2kpw s THR 121 N 1.11 3.71 -2.83 3.43 -1.32 -1.26 -4.91 115.64 113.57 2kpw s THR 121 Ca 0.00 0.27 0.25 0.00 -1.21 0.00 0.00 61.69 61.00 2kpw s THR 121 Cb -0.14 -4.84 0.31 0.00 -1.51 0.00 0.00 72.50 66.32 2kpw s THR 121 CO -0.04 -1.78 1.43 0.35 -2.21 0.00 0.00 174.62 172.36