#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw n GLY 2 N 0.00 -0.45 3.51 3.17 0.00 -1.26 -4.99 105.19 105.18 2kpw n GLY 2 Ca 0.00 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2kpw n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpw s HIS 3 N -0.23 2.86 -0.20 1.61 0.09 -1.26 -5.00 115.29 113.16 2kpw s HIS 3 Ca 0.00 -1.22 -0.16 0.00 -0.00 0.00 0.00 55.06 53.68 2kpw s HIS 3 Cb 0.00 -4.51 -0.04 0.00 -0.00 0.00 0.00 32.58 28.03 2kpw s HIS 3 CO 0.00 -1.71 0.41 -3.38 -0.00 0.00 0.00 174.74 170.06 2kpw s HIS 4 N 3.76 3.37 -0.38 1.40 -0.00 -1.26 -5.05 115.29 117.13 2kpw s HIS 4 Ca 0.41 0.63 0.01 0.00 -0.00 0.00 0.00 55.06 56.11 2kpw s HIS 4 Cb -0.02 -2.54 0.12 0.00 -0.00 0.00 0.00 32.58 30.15 2kpw s HIS 4 CO -0.07 -0.02 0.18 -3.38 -0.00 0.00 0.00 174.74 171.45 2kpw s HIS 5 N 1.34 1.82 -0.26 0.38 -3.43 -1.26 -5.06 115.29 108.82 2kpw s HIS 5 Ca 0.19 -2.13 -0.04 0.00 -0.80 0.00 0.00 55.06 52.29 2kpw s HIS 5 Cb -0.15 -1.77 0.09 0.00 -1.43 0.00 0.00 32.58 29.32 2kpw s HIS 5 CO 0.08 -0.82 0.11 -1.01 -2.00 0.00 0.00 174.74 171.10 2kpw s HIS 6 N 0.87 0.50 -2.22 0.38 4.02 -1.26 -5.00 115.29 112.58 2kpw s HIS 6 Ca 0.15 -0.87 0.23 0.00 1.02 0.00 0.00 55.06 55.59 2kpw s HIS 6 Cb -0.22 -0.96 0.06 0.00 -1.02 0.00 0.00 32.58 30.44 2kpw s HIS 6 CO -0.09 -0.76 1.14 0.72 1.02 0.00 0.00 174.74 176.78 2kpw n HIS 7 N 5.20 0.00 -2.39 1.40 -0.00 -1.26 -4.84 115.22 113.32 2kpw n HIS 7 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.24 2kpw n HIS 7 Cb 0.44 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 2kpw n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 8 N -2.39 2.29 -0.72 4.41 3.76 -1.26 -4.96 115.29 116.43 2kpw s HIS 8 Ca 0.21 0.48 -0.21 0.00 -0.15 0.00 0.00 55.06 55.39 2kpw s HIS 8 Cb 0.19 -4.39 0.10 0.00 1.11 0.00 0.00 32.58 29.58 2kpw s HIS 8 CO 0.52 -1.97 0.95 -1.12 -0.85 0.00 0.00 174.74 172.26 2kpw s SER 9 N 4.40 6.30 -0.40 1.40 0.01 -1.26 -4.93 113.70 119.22 2kpw s SER 9 Ca 0.53 -1.40 0.01 0.00 1.31 0.00 0.00 55.95 56.40 2kpw s SER 9 Cb -0.11 -2.38 0.14 0.00 0.21 0.00 0.00 66.02 63.88 2kpw s SER 9 CO 0.25 -1.26 0.23 -1.00 0.41 0.00 0.00 173.24 171.88 2kpw s HIS 10 N 3.33 1.35 0.38 2.43 0.09 -1.26 -5.14 115.29 116.47 2kpw s HIS 10 Ca 0.22 -2.04 -0.08 0.00 -0.00 0.00 0.00 55.06 53.16 2kpw s HIS 10 Cb -0.15 -1.38 -0.06 0.00 -0.00 0.00 0.00 32.58 30.99 2kpw s HIS 10 CO 0.04 -0.80 0.71 -1.64 -0.00 0.00 0.00 174.74 173.04 2kpw s MET 11 N 0.66 3.71 -0.13 1.40 1.00 -1.26 -5.09 119.30 119.58 2kpw s MET 11 Ca 0.19 0.30 -0.04 0.00 0.00 0.00 0.00 55.69 56.14 2kpw s MET 11 Cb -0.22 -2.46 0.06 0.00 0.00 0.00 0.00 34.83 32.20 2kpw s MET 11 CO -0.01 0.02 0.12 -0.08 0.00 0.00 0.00 175.02 175.07 2kpw s THR 12 N -2.33 -0.17 -0.62 2.05 -1.32 -1.26 -5.11 115.64 106.88 2kpw s THR 12 Ca 0.49 0.07 -0.22 0.00 -1.21 0.00 0.00 61.69 60.82 2kpw s THR 12 Cb -0.10 -0.45 0.07 0.00 -1.51 0.00 0.00 72.50 70.51 2kpw s THR 12 CO 0.32 -0.09 0.90 -0.83 -2.21 0.00 0.00 174.62 172.71 2kpw s GLY 13 N 2.21 1.47 0.00 6.08 0.00 -1.26 -4.87 107.32 110.95 2kpw s GLY 13 Ca 0.04 -1.80 0.23 0.00 0.00 0.00 0.00 44.72 43.18 2kpw s GLY 13 CO -0.08 1.94 1.52 0.70 0.00 0.00 0.00 173.10 177.18 2kpw n ASN 14 N 7.35 3.88 -4.68 1.64 4.13 -1.26 -4.94 115.26 121.37 2kpw n ASN 14 Ca -0.04 -2.00 -0.43 0.00 1.68 0.00 0.00 54.58 53.80 2kpw n ASN 14 Cb 0.45 -0.45 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2kpw n ASN 14 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2kpw s VAL 15 N -1.09 4.71 0.28 2.41 1.01 -1.26 -2.89 120.40 123.57 2kpw s VAL 15 Ca 0.47 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 64.42 2kpw s VAL 15 Cb 0.25 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2kpw s VAL 15 CO 0.33 -0.03 0.34 0.00 0.00 0.00 0.00 175.10 175.74 2kpw s ILE 17 N -3.65 5.04 -0.12 0.00 1.01 -1.26 0.39 121.20 122.60 2kpw s ILE 17 Ca 0.33 1.17 -0.20 0.00 0.00 0.00 0.00 60.65 61.96 2kpw s ILE 17 Cb 0.02 -3.94 -0.18 0.00 0.01 0.00 0.00 42.46 38.38 2kpw s ILE 17 CO 0.17 0.14 0.53 -0.08 0.00 0.00 0.00 174.94 175.70 2kpw h GLU 18 N 7.37 -0.00 -1.75 2.79 4.81 -1.23 -3.45 114.58 123.11 2kpw h GLU 18 Ca -0.33 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2kpw h GLU 18 Cb 1.15 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.29 2kpw h GLU 18 CO 0.77 0.66 0.30 -2.00 -0.73 0.00 0.00 179.01 178.01 2kpw s GLU 19 N -2.05 0.60 -0.21 1.92 2.12 -0.18 -5.03 118.70 115.87 2kpw s GLU 19 Ca -0.13 0.80 -0.08 0.00 0.36 0.00 0.00 54.97 55.93 2kpw s GLU 19 Cb -0.02 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 2kpw s GLU 19 CO 0.47 -0.09 0.07 0.42 -0.54 0.00 0.00 175.26 175.60 2kpw s ILE 20 N 0.64 4.67 -0.01 -3.70 1.01 -1.26 -0.94 121.20 121.61 2kpw s ILE 20 Ca -0.01 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 2kpw s ILE 20 Cb -0.05 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 2kpw s ILE 20 CO -0.08 0.41 1.59 -0.62 0.00 0.00 0.00 174.94 176.24 2kpw s ASP 21 N 0.86 6.69 0.38 3.58 2.15 -0.73 -4.90 116.67 124.71 2kpw s ASP 21 Ca 0.04 2.27 0.19 0.00 0.43 0.00 0.00 52.55 55.48 2kpw s ASP 21 Cb -0.14 -2.55 0.72 0.00 -0.30 0.00 0.00 42.92 40.66 2kpw s ASP 21 CO 0.02 -0.87 1.76 1.62 -0.17 0.00 0.00 175.17 177.53 2kpw h VAL 22 N 5.22 0.87 -0.14 1.11 3.04 -1.94 -2.94 116.25 121.47 2kpw h VAL 22 Ca -0.40 -1.45 -0.12 0.00 -1.01 0.00 0.00 66.70 63.73 2kpw h VAL 22 Cb 1.18 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 32.34 2kpw h VAL 22 CO 0.94 0.35 -0.43 -0.78 -1.01 0.00 0.00 177.57 176.64 2kpw h ASP 23 N 0.00 0.35 0.00 3.17 3.58 -1.90 -3.41 116.42 118.21 2kpw h ASP 23 Ca -0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2kpw h ASP 23 Cb 0.86 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2kpw h ASP 23 CO 0.05 0.74 0.00 0.61 -2.88 0.00 0.00 179.24 177.76 2kpw n GLY 24 N -0.09 2.00 0.13 -0.78 0.00 -1.11 -4.03 105.19 101.31 2kpw n GLY 24 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.57 0.66 -3.64 1.61 5.02 -1.26 -0.49 118.16 119.49 2kpw n LYS 25 Ca 0.00 0.16 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 2kpw n LYS 25 Cb 0.00 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 2kpw n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2kpw s PHE 26 N -2.52 -0.23 -0.29 2.13 -0.71 -1.26 -2.51 117.98 112.59 2kpw s PHE 26 Ca -0.34 0.01 0.02 0.00 -1.04 0.00 0.00 56.93 55.59 2kpw s PHE 26 Cb 0.09 0.25 0.07 0.00 -1.21 0.00 0.00 43.02 42.22 2kpw s PHE 26 CO 0.62 -0.66 -0.05 0.42 -1.34 0.00 0.00 175.22 174.21 2kpw s ILE 27 N -3.35 2.37 -0.31 -4.49 1.01 -0.07 -1.77 121.20 114.58 2kpw s ILE 27 Ca 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 60.65 58.74 2kpw s ILE 27 Cb 0.01 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 2kpw s ILE 27 CO -0.09 -0.19 0.31 -0.60 0.00 0.00 0.00 174.94 174.37 2kpw s ARG 28 N 1.08 3.76 0.17 2.79 3.52 -0.11 -0.20 118.95 129.96 2kpw s ARG 28 Ca -0.03 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 2kpw s ARG 28 Cb -0.20 -3.73 0.03 0.00 -1.56 0.00 0.00 34.95 29.49 2kpw s ARG 28 CO -0.05 -0.37 0.24 1.28 -0.81 0.00 0.00 175.30 175.59 2kpw n LEU 29 N 5.26 0.00 -3.65 -0.88 4.32 0.43 -0.97 117.00 121.51 2kpw n LEU 29 Ca -0.11 -0.66 -0.13 0.00 -0.02 0.00 0.00 56.01 55.09 2kpw n LEU 29 Cb 0.50 -0.14 -0.08 0.00 -1.62 0.00 0.00 43.42 42.09 2kpw n LEU 29 CO 0.37 -0.58 0.34 -0.75 -1.22 0.00 0.00 177.39 175.55 2kpw s LYS 30 N -2.85 0.75 -0.50 3.23 2.20 0.16 -3.30 119.74 119.44 2kpw s LYS 30 Ca 0.17 0.92 -0.13 0.00 -0.36 0.00 0.00 55.97 56.57 2kpw s LYS 30 Cb -0.01 0.35 0.12 0.00 -1.51 0.00 0.00 37.83 36.78 2kpw s LYS 30 CO 0.11 -0.09 0.42 1.21 -0.36 0.00 0.00 175.35 176.64 2kpw s ASN 31 N 0.42 5.96 -0.55 1.43 2.47 -0.63 -1.10 114.94 122.94 2kpw s ASN 31 Ca -0.01 -1.83 -0.14 0.00 0.42 0.00 0.00 52.86 51.31 2kpw s ASN 31 Cb -0.05 -2.12 0.14 0.00 -1.45 0.00 0.00 41.25 37.77 2kpw s ASN 31 CO -0.00 -0.77 0.48 0.28 -3.72 0.00 0.00 177.10 173.36 2kpw s THR 32 N 1.49 4.92 0.20 -5.21 -1.32 -1.14 -0.09 115.64 114.49 2kpw s THR 32 Ca 0.04 -1.71 -0.17 0.00 -1.21 0.00 0.00 61.69 58.64 2kpw s THR 32 Cb -0.28 -4.17 0.06 0.00 -1.51 0.00 0.00 72.50 66.60 2kpw s THR 32 CO 0.01 -0.86 0.84 -1.54 -2.21 0.00 0.00 174.62 170.87 2kpw n SER 33 N 4.99 -1.60 -0.65 8.08 3.41 -1.26 -4.84 113.62 121.75 2kpw n SER 33 Ca -0.09 -1.91 0.06 0.00 -0.26 0.00 0.00 58.87 56.67 2kpw n SER 33 Cb 0.41 2.61 0.14 0.00 -0.26 0.00 0.00 64.21 67.10 2kpw n SER 33 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kpw n GLU 34 N -0.59 2.23 -4.15 4.33 1.02 -1.26 -4.47 120.64 117.74 2kpw n GLU 34 Ca -0.03 -1.86 -0.18 0.00 -0.02 0.00 0.00 57.16 55.08 2kpw n GLU 34 Cb 0.50 -1.28 -0.15 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.01 0.58 0.21 3.49 0.74 -1.26 -5.00 119.66 117.40 2kpw s GLN 35 Ca 0.22 -0.14 -0.30 0.00 0.05 0.00 0.00 55.36 55.20 2kpw s GLN 35 Cb 0.13 -0.59 -0.09 0.00 1.10 0.00 0.00 33.01 33.55 2kpw s GLN 35 CO 0.17 0.02 1.35 -0.51 -0.55 0.00 0.00 175.29 175.77 2kpw s ASP 36 N 0.38 6.83 -0.39 6.67 1.01 -1.26 -4.47 116.67 125.43 2kpw s ASP 36 Ca -0.04 2.47 -0.22 0.00 0.71 0.00 0.00 52.55 55.46 2kpw s ASP 36 Cb -0.08 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.25 2kpw s ASP 36 CO -0.00 -0.58 0.73 -1.10 0.21 0.00 0.00 175.17 174.43 2kpw s GLN 37 N -0.08 3.59 0.00 8.23 -1.52 0.12 -4.93 119.66 125.07 2kpw s GLN 37 Ca 0.58 0.06 0.00 0.00 -1.95 0.00 0.00 55.36 54.05 2kpw s GLN 37 Cb -0.38 -3.86 0.00 0.00 -0.22 0.00 0.00 33.01 28.55 2kpw s GLN 37 CO 0.39 -0.92 0.71 -2.30 -0.25 0.00 0.00 175.29 172.93 2kpw n PRO 38 N 6.40 0.81 0.00 2.91 -0.02 -1.26 -0.93 135.00 142.91 2kpw n PRO 38 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2kpw n PRO 38 Cb 0.48 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 -0.35 0.00 0.00 -0.52 0.00 -1.26 -4.84 117.12 110.15 2kpw n MET 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2kpw n MET 39 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.27 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 1.90 3.05 -5.12 0.00 -1.26 -4.43 105.19 99.33 2kpw n GLY 40 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -1.29 0.38 -0.02 0.00 -1.26 -4.77 107.32 100.35 2kpw s GLY 41 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 44.72 45.86 2kpw s GLY 41 CO 0.00 3.95 0.06 -0.98 0.00 0.00 0.00 173.10 176.13 2kpw s TRP 42 N 2.27 2.55 -0.07 1.90 0.52 -1.26 0.37 118.94 125.22 2kpw s TRP 42 Ca 0.17 -0.54 -0.04 0.00 0.02 0.00 0.00 56.10 55.70 2kpw s TRP 42 Cb -0.02 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.62 2kpw s TRP 42 CO -0.16 0.38 0.17 -2.00 0.02 0.00 0.00 176.95 175.36 2kpw s GLU 43 N -3.77 0.14 -0.41 4.98 2.12 0.84 -0.29 118.70 122.32 2kpw s GLU 43 Ca 0.37 0.37 -0.12 0.00 0.36 0.00 0.00 54.97 55.95 2kpw s GLU 43 Cb 0.04 -0.10 0.05 0.00 0.26 0.00 0.00 34.13 34.37 2kpw s GLU 43 CO 0.20 -0.13 0.26 1.41 -0.54 0.00 0.00 175.26 176.46 2kpw s MET 44 N 0.94 2.80 -0.59 4.30 -2.45 0.54 -1.21 119.30 123.64 2kpw s MET 44 Ca -0.07 -1.23 -0.19 0.00 -1.25 0.00 0.00 55.69 52.95 2kpw s MET 44 Cb -0.09 -3.84 0.11 0.00 1.25 0.00 0.00 34.83 32.25 2kpw s MET 44 CO -0.05 -0.84 0.69 0.42 1.05 0.00 0.00 175.02 176.30 2kpw s ILE 45 N 1.55 4.85 -0.62 10.11 1.09 -0.10 -0.75 121.20 137.33 2kpw s ILE 45 Ca 0.03 -1.04 -0.24 0.00 -1.10 0.00 0.00 60.65 58.30 2kpw s ILE 45 Cb -0.21 -4.48 0.05 0.00 -1.06 0.00 0.00 42.46 36.76 2kpw s ILE 45 CO 0.06 -1.11 1.01 -0.60 -0.10 0.00 0.00 174.94 174.19 2kpw s ARG 46 N 2.60 3.24 -0.31 2.79 3.52 0.39 -0.55 118.95 130.63 2kpw s ARG 46 Ca 0.11 -0.46 -0.15 0.00 -0.13 0.00 0.00 55.73 55.11 2kpw s ARG 46 Cb -0.25 -4.13 -0.03 0.00 -1.56 0.00 0.00 34.95 28.98 2kpw s ARG 46 CO 0.06 -1.71 0.35 0.15 -0.81 0.00 0.00 175.30 173.34 2kpw s LYS 47 N 4.27 3.79 -0.17 5.12 1.02 -0.16 -1.81 119.74 131.81 2kpw s LYS 47 Ca 0.28 -0.22 -0.07 0.00 0.02 0.00 0.00 55.97 55.99 2kpw s LYS 47 Cb -0.13 -3.73 0.07 0.00 -0.52 0.00 0.00 37.83 33.52 2kpw s LYS 47 CO 0.15 -0.39 0.36 -1.50 -0.92 0.00 0.00 175.35 173.06 2kpw s ILE 48 N 2.01 -0.43 0.00 2.17 2.07 -0.67 -0.19 121.20 126.16 2kpw s ILE 48 Ca 0.13 0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2kpw s ILE 48 Cb -0.16 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.86 2kpw s ILE 48 CO 0.11 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.83 2kpw n GLY 49 N 5.10 1.39 1.16 1.50 0.00 -1.26 -2.02 105.19 111.07 2kpw n GLY 49 Ca -0.12 0.41 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 11.80 2.87 -3.71 1.61 9.92 -1.26 -5.00 116.55 132.78 2kpw n ASP 50 Ca 0.00 -3.59 -0.10 0.00 -0.53 0.00 0.00 54.79 50.57 2kpw n ASP 50 Cb 0.00 -0.63 -0.05 0.00 -0.64 0.00 0.00 41.12 39.81 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 -3.15 0.05 -0.24 -3.53 -1.32 -0.86 -5.16 115.64 101.43 2kpw s THR 51 Ca 0.45 -0.75 -0.04 0.00 -1.21 0.00 0.00 61.69 60.13 2kpw s THR 51 Cb 0.40 -1.40 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 2kpw s THR 51 CO 0.03 -0.24 0.45 -0.94 -2.21 0.00 0.00 174.62 171.70 2kpw s SER 52 N -2.85 -0.32 -0.09 8.08 1.04 -1.26 -1.67 113.70 116.63 2kpw s SER 52 Ca 0.07 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.21 2kpw s SER 52 Cb 0.01 1.48 -0.02 0.00 0.10 0.00 0.00 66.02 67.58 2kpw s SER 52 CO -0.07 -0.26 -0.12 0.54 0.98 0.00 0.00 173.24 174.30 2kpw s VAL 53 N 2.65 3.18 -0.20 5.02 0.11 -0.75 -4.92 120.40 125.49 2kpw s VAL 53 Ca 0.08 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.44 2kpw s VAL 53 Cb -0.14 -2.30 -0.02 0.00 -1.53 0.00 0.00 36.38 32.39 2kpw s VAL 53 CO -0.16 0.56 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.72 2kpw s SER 54 N -0.19 4.73 -0.31 3.54 0.01 -1.26 -0.46 113.70 119.76 2kpw s SER 54 Ca 0.01 -0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 2kpw s SER 54 Cb -0.13 -1.81 0.06 0.00 0.21 0.00 0.00 66.02 64.35 2kpw s SER 54 CO 0.03 0.06 0.03 -0.47 0.41 0.00 0.00 173.24 173.30 2kpw s TYR 55 N 1.04 3.31 -0.45 2.43 5.04 0.07 -4.91 117.35 123.88 2kpw s TYR 55 Ca 0.02 -1.91 -0.29 0.00 -2.44 0.00 0.00 57.07 52.44 2kpw s TYR 55 Cb -0.14 -2.25 0.02 0.00 0.35 0.00 0.00 41.96 39.94 2kpw s TYR 55 CO 0.01 -0.82 1.29 0.21 -1.34 0.00 0.00 175.55 174.90 2kpw s LYS 56 N 1.25 3.62 0.27 4.97 2.20 -1.26 -0.34 119.74 130.44 2kpw s LYS 56 Ca -0.03 0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 2kpw s LYS 56 Cb -0.20 -3.98 -0.13 0.00 -1.51 0.00 0.00 37.83 32.01 2kpw s LYS 56 CO -0.01 -1.52 1.44 0.66 -0.36 0.00 0.00 175.35 175.57 2kpw n TYR 57 N 8.44 2.36 -3.50 4.03 4.02 0.60 -4.96 117.16 128.16 2kpw n TYR 57 Ca 0.14 0.40 -0.38 0.00 -0.01 0.00 0.00 57.90 58.05 2kpw n TYR 57 Cb 0.49 -2.49 -0.09 0.00 -0.02 0.00 0.00 39.34 37.22 2kpw n TYR 57 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2kpw s THR 58 N -0.17 5.26 -1.00 -0.72 -1.32 -1.26 -4.44 115.64 111.98 2kpw s THR 58 Ca 0.65 0.43 -0.18 0.00 -1.21 0.00 0.00 61.69 61.39 2kpw s THR 58 Cb -0.60 -3.62 -0.09 0.00 -1.51 0.00 0.00 72.50 66.68 2kpw s THR 58 CO 0.51 0.26 2.06 -0.24 -2.21 0.00 0.00 174.62 175.00 2kpw n SER 59 N 4.72 3.33 0.04 8.08 2.88 -1.26 -4.56 113.62 126.85 2kpw n SER 59 Ca -0.11 -2.69 0.12 0.00 -1.33 0.00 0.00 58.87 54.86 2kpw n SER 59 Cb 0.51 -1.28 0.27 0.00 -0.75 0.00 0.00 64.21 62.97 2kpw n SER 59 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kpw n ARG 60 N 6.37 0.17 -3.88 -1.46 1.85 -1.26 -4.92 116.66 113.53 2kpw n ARG 60 Ca 0.51 0.06 -0.09 0.00 -1.00 0.00 0.00 57.85 57.33 2kpw n ARG 60 Cb 0.37 -1.62 -0.04 0.00 -1.05 0.00 0.00 32.46 30.12 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 -3.09 0.09 -0.24 2.89 1.13 -1.26 -4.90 117.35 111.97 2kpw s TYR 61 Ca 0.09 -0.46 -0.18 0.00 -1.41 0.00 0.00 57.07 55.10 2kpw s TYR 61 Cb 0.15 0.34 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 2kpw s TYR 61 CO 0.68 -1.00 0.53 0.08 -2.51 0.00 0.00 175.55 173.34 2kpw s VAL 62 N -3.94 5.07 -1.06 -3.49 1.01 -1.26 -4.78 120.40 111.95 2kpw s VAL 62 Ca 0.15 0.94 -0.22 0.00 0.00 0.00 0.00 61.98 62.85 2kpw s VAL 62 Cb -0.02 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2kpw s VAL 62 CO 0.04 0.11 1.68 -0.22 0.00 0.00 0.00 175.10 176.71 2kpw s LEU 63 N 2.12 3.43 0.78 3.92 2.96 -0.11 -4.93 118.68 126.84 2kpw s LEU 63 Ca 0.23 -1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 52.56 2kpw s LEU 63 Cb -0.16 -2.57 0.06 0.00 0.50 0.00 0.00 46.19 44.03 2kpw s LEU 63 CO 0.09 -1.94 1.12 -0.54 -1.32 0.00 0.00 176.35 173.77 2kpw s LYS 64 N 5.53 2.06 -0.04 1.98 1.02 -1.26 -0.71 119.74 128.33 2kpw s LYS 64 Ca 0.56 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.62 2kpw s LYS 64 Cb -0.01 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.36 2kpw s LYS 64 CO -0.02 -1.82 1.95 0.00 -0.92 0.00 0.00 175.35 174.55 2kpw s ALA 65 N -2.63 3.41 0.00 5.17 0.00 -1.26 -2.41 121.76 124.04 2kpw s ALA 65 Ca 0.65 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2kpw s ALA 65 Cb -0.20 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2kpw s ALA 65 CO 0.52 -1.80 0.00 0.41 0.00 0.00 0.00 175.76 174.90 2kpw n GLY 66 N 4.72 3.02 3.76 0.00 0.00 0.87 -4.94 105.19 112.62 2kpw n GLY 66 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2kpw n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kpw s GLN 67 N -0.67 4.68 -0.53 1.61 2.00 -1.01 -4.75 119.66 120.99 2kpw s GLN 67 Ca 0.00 1.51 -0.10 0.00 -2.00 0.00 0.00 55.36 54.77 2kpw s GLN 67 Cb 0.00 -3.07 0.13 0.00 0.80 0.00 0.00 33.01 30.88 2kpw s GLN 67 CO 0.00 0.34 0.42 0.95 -0.50 0.00 0.00 175.29 176.50 2kpw s THR 68 N -1.34 4.49 -0.15 -0.34 -4.23 -1.26 -1.61 115.64 111.20 2kpw s THR 68 Ca 0.46 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.79 2kpw s THR 68 Cb -0.25 -3.92 -0.03 0.00 1.34 0.00 0.00 72.50 69.64 2kpw s THR 68 CO 0.31 -0.83 1.56 0.54 -0.54 0.00 0.00 174.62 175.67 2kpw s VAL 69 N 1.19 3.77 -0.24 2.29 0.11 -1.21 -4.76 120.40 121.55 2kpw s VAL 69 Ca 0.07 0.90 -0.13 0.00 -2.93 0.00 0.00 61.98 59.89 2kpw s VAL 69 Cb -0.25 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 2kpw s VAL 69 CO -0.01 -0.19 0.28 -0.89 -3.33 0.00 0.00 175.10 170.96 2kpw s THR 70 N 4.48 5.27 -0.63 5.04 2.01 -1.26 -0.42 115.64 130.12 2kpw s THR 70 Ca 0.69 0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.84 2kpw s THR 70 Cb -0.27 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.67 2kpw s THR 70 CO 0.27 0.26 1.07 -0.63 -0.69 0.00 0.00 174.62 174.90 2kpw s ILE 71 N 1.48 4.15 -0.28 1.82 -1.09 0.72 -1.66 121.20 126.33 2kpw s ILE 71 Ca 0.12 0.23 -0.25 0.00 -2.23 0.00 0.00 60.65 58.52 2kpw s ILE 71 Cb -0.15 -4.70 0.00 0.00 -1.58 0.00 0.00 42.46 36.03 2kpw s ILE 71 CO 0.08 -1.43 0.86 0.26 -1.23 0.00 0.00 174.94 173.47 2kpw s TRP 72 N 4.58 3.24 -1.12 3.97 0.52 -0.37 -0.90 118.94 128.87 2kpw s TRP 72 Ca 0.31 1.01 -0.22 0.00 0.02 0.00 0.00 56.10 57.22 2kpw s TRP 72 Cb -0.12 -3.23 -0.08 0.00 -1.15 0.00 0.00 33.47 28.88 2kpw s TRP 72 CO 0.17 -0.54 1.92 0.00 0.02 0.00 0.00 176.95 178.52 2kpw n ALA 73 N 6.24 2.47 -0.23 0.98 0.00 -1.04 -0.33 120.51 128.59 2kpw n ALA 73 Ca 0.06 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.29 2kpw n ALA 73 Cb 0.48 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.39 2kpw n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kpw n ALA 74 N 11.88 0.00 -2.83 0.00 0.00 0.06 -0.58 120.51 129.04 2kpw n ALA 74 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 2kpw n ALA 74 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 2kpw n ALA 74 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kpw s ASN 75 N -1.13 6.19 0.00 0.00 0.01 -1.26 -4.67 114.94 114.08 2kpw s ASN 75 Ca 0.00 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.23 2kpw s ASN 75 Cb 0.00 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.24 2kpw s ASN 75 CO 0.00 -1.41 0.12 0.00 -1.51 0.00 0.00 177.10 174.30 2kpw n ALA 76 N 7.67 0.90 0.00 0.60 0.00 -1.26 -4.44 120.51 123.98 2kpw n ALA 76 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kpw n ALA 76 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2kpw n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpw n GLY 77 N 0.00 1.51 3.63 0.00 0.00 -1.26 -4.97 105.19 104.10 2kpw n GLY 77 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2kpw n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kpw n VAL 78 N 0.00 3.83 -0.55 1.61 0.31 -1.26 -4.99 118.33 117.29 2kpw n VAL 78 Ca 0.00 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 2kpw n VAL 78 Cb 0.00 -1.19 0.27 0.00 -0.91 0.00 0.00 33.84 32.01 2kpw n VAL 78 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2kpw s THR 79 N -1.50 1.51 -1.05 2.52 -1.32 -1.26 -4.80 115.64 109.75 2kpw s THR 79 Ca 0.76 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 61.02 2kpw s THR 79 Cb -0.41 -2.14 -0.11 0.00 -1.51 0.00 0.00 72.50 68.33 2kpw s THR 79 CO 0.46 0.00 1.92 0.00 -2.21 0.00 0.00 174.62 174.80 2kpw n ALA 80 N -5.28 2.41 -2.19 11.08 0.00 -1.26 -4.55 120.51 120.71 2kpw n ALA 80 Ca 0.09 -3.16 -0.03 0.00 0.00 0.00 0.00 53.44 50.35 2kpw n ALA 80 Cb 0.58 -3.54 -0.02 0.00 0.00 0.00 0.00 19.45 16.47 2kpw n ALA 80 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kpw n SER 81 N 11.76 -3.60 -4.14 0.00 7.64 -1.26 -4.97 113.62 119.05 2kpw n SER 81 Ca 0.47 1.18 -0.36 0.00 1.01 0.00 0.00 58.87 61.17 2kpw n SER 81 Cb 0.44 -4.19 0.10 0.00 -1.01 0.00 0.00 64.21 59.55 2kpw n SER 81 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2kpw n PRO 82 N 1.32 -0.78 -1.65 1.43 -0.02 -1.22 -4.94 135.00 129.15 2kpw n PRO 82 Ca -0.19 -0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 2kpw n PRO 82 Cb 0.29 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 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 0.25 -0.26 0.00 0.52 -0.02 -1.26 -4.70 135.00 129.52 2kpw n PRO 83 Ca -0.01 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2kpw n PRO 83 Cb 0.69 0.23 0.00 0.00 -0.02 0.00 0.00 33.50 34.40 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 -0.37 0.00 -3.40 3.45 5.66 -1.26 -5.10 114.28 113.26 2kpw n THR 84 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kpw n THR 84 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 1.08 -3.82 1.09 8.00 -1.26 -4.33 116.55 117.30 2kpw n ASP 85 Ca 0.00 -0.86 -0.13 0.00 0.71 0.00 0.00 54.79 54.51 2kpw n ASP 85 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 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 1.51 -0.20 0.64 1.43 -0.67 -3.41 118.68 117.98 2kpw s LEU 86 Ca 0.00 0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 2kpw s LEU 86 Cb 0.00 0.20 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 2kpw s LEU 86 CO 0.00 -0.06 0.54 -0.63 0.23 0.00 0.00 176.35 176.43 2kpw s ILE 87 N 0.35 5.09 -0.44 -0.59 1.09 -1.26 -1.24 121.20 124.19 2kpw s ILE 87 Ca -0.03 0.98 -0.21 0.00 -1.10 0.00 0.00 60.65 60.30 2kpw s ILE 87 Cb -0.04 -3.86 0.03 0.00 -1.06 0.00 0.00 42.46 37.53 2kpw s ILE 87 CO -0.01 0.16 0.64 0.86 -0.10 0.00 0.00 174.94 176.48 2kpw s TRP 88 N 1.74 3.07 -2.55 3.97 -0.00 0.55 -4.90 118.94 120.81 2kpw s TRP 88 Ca 0.24 -0.10 0.24 0.00 -0.00 0.00 0.00 56.10 56.49 2kpw s TRP 88 Cb -0.15 -3.34 0.66 0.00 -0.00 0.00 0.00 33.47 30.64 2kpw s TRP 88 CO 0.10 -0.88 1.52 1.63 -0.00 0.00 0.00 176.95 179.32 2kpw n LYS 89 N 6.24 1.98 -0.01 5.86 5.02 -1.26 -0.76 118.16 135.22 2kpw n LYS 89 Ca -0.02 -1.45 -0.18 0.00 -2.02 0.00 0.00 58.31 54.64 2kpw n LYS 89 Cb 0.48 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 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 3.22 0.87 -5.08 4.39 4.21 -1.97 -3.47 115.58 117.75 2kpw h ASN 90 Ca 0.00 -0.66 -0.10 0.00 1.21 0.00 0.00 56.30 56.76 2kpw h ASN 90 Cb 0.69 -0.26 -0.16 0.00 -1.12 0.00 0.00 38.32 37.47 2kpw h ASN 90 CO 0.00 1.40 -0.31 -1.58 -1.29 0.00 0.00 177.43 175.65 2kpw s GLN 91 N -3.63 0.79 0.69 0.81 0.74 -1.26 -5.13 119.66 112.65 2kpw s GLN 91 Ca -0.11 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.67 2kpw s GLN 91 Cb 0.08 0.33 0.11 0.00 1.10 0.00 0.00 33.01 34.62 2kpw s GLN 91 CO 0.89 -0.25 0.95 -0.80 -0.55 0.00 0.00 175.29 175.54 2kpw s ASN 92 N -2.23 4.55 0.12 6.67 -0.87 -1.26 -3.59 114.94 118.33 2kpw s ASN 92 Ca -0.03 -0.27 -0.31 0.00 -1.57 0.00 0.00 52.86 50.68 2kpw s ASN 92 Cb 0.00 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.25 40.90 2kpw s ASN 92 CO -0.05 -1.71 1.84 -0.24 -2.57 0.00 0.00 177.10 174.37 2kpw n SER 93 N -2.74 4.03 -3.09 -1.22 2.88 0.25 -4.84 113.62 108.89 2kpw n SER 93 Ca 0.13 0.99 -0.08 0.00 -1.33 0.00 0.00 58.87 58.57 2kpw n SER 93 Cb 0.60 -1.54 0.01 0.00 -0.75 0.00 0.00 64.21 62.54 2kpw n SER 93 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2kpw n TRP 94 N 5.66 -2.01 -3.15 0.66 2.14 0.35 -4.98 117.44 116.11 2kpw n TRP 94 Ca 0.18 -0.84 0.03 0.00 2.07 0.00 0.00 57.50 58.94 2kpw n TRP 94 Cb 0.37 -0.19 -0.00 0.00 -0.81 0.00 0.00 31.31 30.68 2kpw n TRP 94 CO 0.00 0.00 0.00 0.20 2.07 0.00 0.00 177.69 179.96 2kpw s GLY 95 N -2.78 -1.26 -0.01 -1.67 0.00 -1.26 -4.03 107.32 96.32 2kpw s GLY 95 Ca 0.18 0.83 -0.29 0.00 0.00 0.00 0.00 44.72 45.44 2kpw s GLY 95 CO 0.11 3.74 0.90 -1.08 0.00 0.00 0.00 173.10 176.78 2kpw s THR 96 N 2.44 0.00 -2.51 0.90 -1.32 -1.26 -5.04 115.64 108.85 2kpw s THR 96 Ca 0.14 -0.03 0.23 0.00 -1.21 0.00 0.00 61.69 60.82 2kpw s THR 96 Cb -0.07 -1.04 0.40 0.00 -1.51 0.00 0.00 72.50 70.28 2kpw s THR 96 CO -0.18 0.00 1.43 0.61 -2.21 0.00 0.00 174.62 174.27 2kpw n GLY 97 N -0.25 1.24 3.76 6.08 0.00 -1.26 -4.86 105.19 109.91 2kpw n GLY 97 Ca -0.08 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.65 2.50 -0.81 1.61 0.41 -1.26 -4.86 118.70 114.64 2kpw s GLU 98 Ca 0.36 1.36 -0.24 0.00 -0.41 0.00 0.00 54.97 56.04 2kpw s GLU 98 Cb 0.21 -1.91 -0.16 0.00 -1.78 0.00 0.00 34.13 30.48 2kpw s GLU 98 CO 0.30 -1.48 2.39 -0.25 -0.49 0.00 0.00 175.26 175.73 2kpw n ASP 99 N -2.86 1.47 -4.54 -0.19 9.92 -1.26 -4.75 116.55 114.35 2kpw n ASP 99 Ca 0.10 -1.41 -0.43 0.00 -0.53 0.00 0.00 54.79 52.52 2kpw n ASP 99 Cb 0.52 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 2kpw n ASP 99 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 2kpw n VAL 100 N 8.48 3.97 -2.91 2.53 3.14 -1.26 -4.18 118.33 128.09 2kpw n VAL 100 Ca 0.49 -4.14 -0.43 0.00 -2.96 0.00 0.00 64.34 57.30 2kpw n VAL 100 Cb 0.40 -2.37 -0.05 0.00 -1.06 0.00 0.00 33.84 30.76 2kpw n VAL 100 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2kpw s LYS 101 N 3.90 3.28 -0.21 1.45 2.20 0.74 -4.19 119.74 126.91 2kpw s LYS 101 Ca 0.53 -0.41 -0.19 0.00 -0.36 0.00 0.00 55.97 55.53 2kpw s LYS 101 Cb 0.04 -4.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 2kpw s LYS 101 CO 0.07 -1.43 0.55 0.08 -0.36 0.00 0.00 175.35 174.26 2kpw s VAL 102 N 3.65 5.08 -0.27 4.02 1.01 0.27 -0.99 120.40 133.16 2kpw s VAL 102 Ca 0.27 1.01 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 2kpw s VAL 102 Cb -0.14 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2kpw s VAL 102 CO 0.17 0.14 0.09 -0.63 0.00 0.00 0.00 175.10 174.87 2kpw s ILE 103 N 1.81 4.24 -0.24 2.22 -1.09 0.28 -2.18 121.20 126.25 2kpw s ILE 103 Ca 0.25 -0.38 -0.18 0.00 -2.23 0.00 0.00 60.65 58.11 2kpw s ILE 103 Cb -0.16 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2kpw s ILE 103 CO 0.10 0.21 0.52 -0.76 -1.23 0.00 0.00 174.94 173.78 2kpw s LEU 104 N 1.58 4.09 0.27 2.97 1.43 0.34 -0.92 118.68 128.44 2kpw s LEU 104 Ca 0.05 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 2kpw s LEU 104 Cb -0.16 -2.69 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 2kpw s LEU 104 CO 0.04 -0.25 0.04 -0.54 0.23 0.00 0.00 176.35 175.87 2kpw s LYS 105 N 2.04 1.48 0.58 1.70 1.02 -0.35 -0.60 119.74 125.61 2kpw s LYS 105 Ca 0.23 -1.79 0.06 0.00 0.02 0.00 0.00 55.97 54.48 2kpw s LYS 105 Cb -0.15 -0.65 0.08 0.00 -0.52 0.00 0.00 37.83 36.59 2kpw s LYS 105 CO 0.09 -0.17 0.80 -0.80 -0.92 0.00 0.00 175.35 174.35 2kpw s ASN 106 N -3.38 5.04 0.44 2.83 -0.87 -0.33 -0.11 114.94 118.55 2kpw s ASN 106 Ca 0.34 -0.54 0.12 0.00 -1.57 0.00 0.00 52.86 51.21 2kpw s ASN 106 Cb 0.07 -0.11 1.02 0.00 -0.02 0.00 0.00 41.25 42.20 2kpw s ASN 106 CO 0.13 -1.34 2.03 -1.28 -2.57 0.00 0.00 177.10 174.07 2kpw h SER 107 N 0.07 0.34 0.00 -1.22 0.87 -0.38 0.13 113.55 113.37 2kpw h SER 107 Ca -0.35 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2kpw h SER 107 Cb 1.28 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kpw h SER 107 CO 0.43 0.23 0.00 0.00 -0.53 0.00 0.00 176.83 176.96 2kpw n GLN 108 N -4.48 0.80 -1.77 2.24 6.02 -1.26 -4.86 117.38 114.07 2kpw n GLN 108 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2kpw n GLN 108 Cb 0.24 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 0.57 0.58 3.62 1.08 0.00 0.03 -5.06 105.19 106.02 2kpw n GLY 109 Ca 0.18 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.67 3.96 0.24 1.61 -1.05 -1.24 -4.90 118.70 113.65 2kpw s GLU 110 Ca 0.00 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.18 2kpw s GLU 110 Cb 0.00 -3.31 -0.09 0.00 -0.44 0.00 0.00 34.13 30.29 2kpw s GLU 110 CO 0.00 0.15 1.04 -2.00 0.95 0.00 0.00 175.26 175.40 2kpw s GLU 111 N 0.72 4.71 0.01 -4.83 2.12 -1.26 -1.19 118.70 118.98 2kpw s GLU 111 Ca 0.05 1.66 -0.05 0.00 0.36 0.00 0.00 54.97 56.99 2kpw s GLU 111 Cb -0.13 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 2kpw s GLU 111 CO 0.02 0.29 -0.09 0.28 -0.54 0.00 0.00 175.26 175.22 2kpw n VAL 112 N 1.60 1.06 -3.96 3.70 0.31 0.23 -4.95 118.33 116.31 2kpw n VAL 112 Ca -0.01 0.29 -0.09 0.00 -0.01 0.00 0.00 64.34 64.53 2kpw n VAL 112 Cb 0.46 -1.70 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kpw s ALA 113 N -2.30 0.11 0.08 3.52 0.00 -1.19 -5.03 121.76 116.95 2kpw s ALA 113 Ca -0.08 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 2kpw s ALA 113 Cb 0.01 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.76 2kpw s ALA 113 CO 0.11 -0.52 0.34 1.14 0.00 0.00 0.00 175.76 176.83 2kpw s GLN 114 N -3.93 0.93 -0.00 0.00 -2.07 -1.26 -0.50 119.66 112.83 2kpw s GLN 114 Ca 0.11 -0.63 -0.28 0.00 -1.82 0.00 0.00 55.36 52.74 2kpw s GLN 114 Cb 0.05 0.40 0.09 0.00 -1.09 0.00 0.00 33.01 32.47 2kpw s GLN 114 CO -0.06 -0.33 0.80 0.50 -1.32 0.00 0.00 175.29 174.88 2kpw s ARG 115 N -3.23 0.94 0.00 9.60 3.52 -0.93 -5.01 118.95 123.84 2kpw s ARG 115 Ca -0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 2kpw s ARG 115 Cb 0.01 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 2kpw s ARG 115 CO -0.08 -0.37 0.00 -1.13 -0.81 0.00 0.00 175.30 172.91 2kpw n SER 116 N 0.13 0.00 -4.56 -2.12 3.41 -1.26 -0.57 113.62 108.65 2kpw n SER 116 Ca -0.13 -0.24 -0.25 0.00 -0.26 0.00 0.00 58.87 57.99 2kpw n SER 116 Cb 0.61 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.51 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 -1.34 3.07 -0.98 6.66 -4.23 -1.26 -4.87 115.64 112.69 2kpw s THR 117 Ca 0.00 -0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.25 2kpw s THR 117 Cb 0.00 -3.17 -0.08 0.00 1.34 0.00 0.00 72.50 70.59 2kpw s THR 117 CO 0.00 -0.16 2.00 -0.69 -0.54 0.00 0.00 174.62 175.22 2kpw s VAL 118 N 12.96 3.41 -0.40 2.29 1.01 -1.26 -4.79 120.40 133.62 2kpw s VAL 118 Ca 0.91 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2kpw s VAL 118 Cb -0.14 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2kpw s VAL 118 CO 0.15 -0.82 0.74 2.22 0.00 0.00 0.00 175.10 177.39 2kpw n PHE 119 N 14.85 0.00 -3.80 5.22 1.16 -1.26 -4.75 117.46 128.88 2kpw n PHE 119 Ca 0.42 -0.28 -0.14 0.00 -1.87 0.00 0.00 57.45 55.59 2kpw n PHE 119 Cb 0.46 -0.18 -0.15 0.00 -1.61 0.00 0.00 39.48 38.00 2kpw n PHE 119 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 2kpw s LYS 120 N -0.35 -0.01 -0.17 3.97 2.20 -1.26 -5.14 119.74 118.98 2kpw s LYS 120 Ca 0.00 0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.61 2kpw s LYS 120 Cb 0.00 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 2kpw s LYS 120 CO 0.00 -0.11 0.38 -0.08 -0.36 0.00 0.00 175.35 175.17 2kpw s THR 121 N 0.74 5.24 -0.65 3.43 -1.32 -1.26 -5.25 115.64 116.57 2kpw s THR 121 Ca -0.06 0.70 0.05 0.00 -1.21 0.00 0.00 61.69 61.17 2kpw s THR 121 Cb -0.09 -3.71 0.04 0.00 -1.51 0.00 0.00 72.50 67.23 2kpw s THR 121 CO -0.02 0.32 0.66 1.07 -2.21 0.00 0.00 174.62 174.44