#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw n GLY 2 N 0.00 2.82 0.08 3.17 0.00 -1.26 -5.09 105.19 104.91 2kpw n GLY 2 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2kpw n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kpw n HIS 3 N 0.15 0.73 -3.55 1.61 -0.00 -1.26 -4.87 115.22 108.03 2kpw n HIS 3 Ca 0.00 0.32 -0.41 0.00 -0.00 0.00 0.00 57.72 57.63 2kpw n HIS 3 Cb 0.00 -0.81 -0.11 0.00 -0.00 0.00 0.00 29.99 29.08 2kpw n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 4 N -2.40 3.24 -0.40 4.41 0.09 -1.26 -5.00 115.29 113.97 2kpw s HIS 4 Ca -0.21 -0.76 0.04 0.00 -0.00 0.00 0.00 55.06 54.13 2kpw s HIS 4 Cb 0.04 -2.48 0.16 0.00 -0.00 0.00 0.00 32.58 30.30 2kpw s HIS 4 CO 0.34 -0.59 0.42 -3.38 -0.00 0.00 0.00 174.74 171.53 2kpw s HIS 5 N 1.61 -0.24 -0.05 1.40 0.00 -1.26 -5.13 115.29 111.62 2kpw s HIS 5 Ca 0.03 -1.05 -0.10 0.00 -3.00 0.00 0.00 55.06 50.94 2kpw s HIS 5 Cb -0.19 -0.39 0.02 0.00 -4.00 0.00 0.00 32.58 28.02 2kpw s HIS 5 CO 0.08 -0.99 0.24 -1.01 -1.00 0.00 0.00 174.74 172.07 2kpw s HIS 6 N 1.11 -0.18 -0.81 0.38 4.02 -1.26 -5.10 115.29 113.44 2kpw s HIS 6 Ca 0.21 0.39 -0.26 0.00 1.02 0.00 0.00 55.06 56.43 2kpw s HIS 6 Cb -0.10 0.06 0.04 0.00 -1.02 0.00 0.00 32.58 31.56 2kpw s HIS 6 CO -0.06 -0.24 1.30 -1.01 1.02 0.00 0.00 174.74 175.76 2kpw s HIS 7 N -0.59 2.39 -2.01 1.40 4.02 -1.26 -4.86 115.29 114.37 2kpw s HIS 7 Ca -0.07 -0.32 0.09 0.00 1.02 0.00 0.00 55.06 55.78 2kpw s HIS 7 Cb -0.04 -4.62 0.27 0.00 -1.02 0.00 0.00 32.58 27.17 2kpw s HIS 7 CO 0.02 -2.01 1.22 -2.39 1.02 0.00 0.00 174.74 172.60 2kpw n HIS 8 N 9.09 0.34 -1.85 1.40 -0.00 -1.26 -4.89 115.22 118.05 2kpw n HIS 8 Ca 0.11 -0.17 -0.42 0.00 -0.00 0.00 0.00 57.72 57.24 2kpw n HIS 8 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.45 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 -1.04 6.53 -0.16 4.39 0.15 -1.26 -4.99 113.70 117.32 2kpw s SER 9 Ca 0.18 2.61 -0.08 0.00 0.70 0.00 0.00 55.95 59.37 2kpw s SER 9 Cb 0.10 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2kpw s SER 9 CO 0.13 -0.92 0.10 -1.00 1.20 0.00 0.00 173.24 172.75 2kpw s HIS 10 N 2.41 3.39 -0.24 3.44 0.09 -1.26 -5.06 115.29 118.06 2kpw s HIS 10 Ca 0.76 0.29 -0.29 0.00 -0.00 0.00 0.00 55.06 55.82 2kpw s HIS 10 Cb -0.43 -2.04 -0.02 0.00 -0.00 0.00 0.00 32.58 30.09 2kpw s HIS 10 CO 0.33 0.38 1.58 -1.64 -0.00 0.00 0.00 174.74 175.40 2kpw s MET 11 N -0.12 3.79 0.46 1.40 1.00 -1.26 -4.89 119.30 119.68 2kpw s MET 11 Ca 0.09 1.58 0.31 0.00 0.00 0.00 0.00 55.69 57.67 2kpw s MET 11 Cb -0.12 -4.02 1.52 0.00 0.00 0.00 0.00 34.83 32.21 2kpw s MET 11 CO 0.01 -1.30 1.95 0.00 0.00 0.00 0.00 175.02 175.67 2kpw h THR 12 N 6.16 0.00 -1.39 2.05 1.03 -2.00 -3.47 112.91 115.28 2kpw h THR 12 Ca -0.33 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 2kpw h THR 12 Cb 1.15 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 2kpw h THR 12 CO 1.01 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 177.13 2kpw n GLY 13 N -0.58 -1.35 0.27 2.99 0.00 -1.26 -5.04 105.19 100.22 2kpw n GLY 13 Ca -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 2.24 -4.69 1.61 3.02 -1.26 -5.01 115.26 111.16 2kpw n ASN 14 Ca 0.00 -1.86 -0.35 0.00 -0.03 0.00 0.00 54.58 52.35 2kpw n ASN 14 Cb 0.00 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.89 5.10 0.41 2.41 1.01 -1.26 -0.71 120.40 126.47 2kpw s VAL 15 Ca 0.10 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2kpw s VAL 15 Cb 0.05 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2kpw s VAL 15 CO 0.07 0.46 0.11 0.00 0.00 0.00 0.00 175.10 175.75 2kpw s ILE 17 N -3.19 5.27 -0.26 0.00 1.01 -1.26 -0.19 121.20 122.58 2kpw s ILE 17 Ca 0.24 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.31 2kpw s ILE 17 Cb 0.03 -3.66 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 2kpw s ILE 17 CO 0.14 0.33 -0.35 1.21 0.00 0.00 0.00 174.94 176.27 2kpw n GLU 18 N 4.02 0.56 -3.76 2.79 2.13 -0.87 -4.88 120.64 120.62 2kpw n GLU 18 Ca -0.11 0.24 -0.13 0.00 0.66 0.00 0.00 57.16 57.83 2kpw n GLU 18 Cb 0.52 -1.45 -0.11 0.00 0.27 0.00 0.00 31.44 30.66 2kpw n GLU 18 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kpw s GLU 19 N -2.55 0.32 -0.01 5.31 2.12 -0.87 -5.05 118.70 117.97 2kpw s GLU 19 Ca -0.36 0.43 0.03 0.00 0.36 0.00 0.00 54.97 55.43 2kpw s GLU 19 Cb 0.13 0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.62 2kpw s GLU 19 CO 0.46 -0.06 -0.09 0.42 -0.54 0.00 0.00 175.26 175.45 2kpw s ILE 20 N 0.37 0.73 -0.13 -3.70 1.01 -1.26 0.01 121.20 118.22 2kpw s ILE 20 Ca -0.02 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 2kpw s ILE 20 Cb -0.03 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 2kpw s ILE 20 CO -0.02 0.21 0.77 -0.62 0.00 0.00 0.00 174.94 175.28 2kpw s ASP 21 N -0.21 6.95 0.21 3.58 2.15 -0.44 -4.96 116.67 123.95 2kpw s ASP 21 Ca 0.03 1.16 0.13 0.00 0.43 0.00 0.00 52.55 54.31 2kpw s ASP 21 Cb -0.04 -2.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 2kpw s ASP 21 CO -0.00 -0.27 1.32 1.62 -0.17 0.00 0.00 175.17 177.66 2kpw h VAL 22 N 5.01 1.03 -0.35 1.11 3.04 -1.96 -3.33 116.25 120.80 2kpw h VAL 22 Ca -0.34 -2.49 -0.12 0.00 -1.01 0.00 0.00 66.70 62.73 2kpw h VAL 22 Cb 1.16 2.48 -0.01 0.00 -2.01 0.00 0.00 31.29 32.91 2kpw h VAL 22 CO 0.79 0.58 -0.26 -0.78 -1.01 0.00 0.00 177.57 176.89 2kpw h ASP 23 N 0.00 0.74 0.00 3.17 3.58 -1.93 -3.46 116.42 118.52 2kpw h ASP 23 Ca -0.03 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2kpw h ASP 23 Cb 1.51 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.36 2kpw h ASP 23 CO 0.08 0.97 0.00 0.61 -2.88 0.00 0.00 179.24 178.02 2kpw n GLY 24 N -0.19 0.50 1.51 -0.78 0.00 -1.25 -4.49 105.19 100.49 2kpw n GLY 24 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2kpw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpw n LYS 25 N 0.00 0.00 -3.96 1.61 5.02 -1.26 -4.31 118.16 115.25 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 0.00 -0.25 -0.08 0.00 -0.02 0.00 0.00 35.03 34.67 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 -2.00 0.37 0.20 2.13 -0.71 -1.26 -3.28 117.98 113.43 2kpw s PHE 26 Ca 0.00 -0.80 0.06 0.00 -1.04 0.00 0.00 56.93 55.15 2kpw s PHE 26 Cb 0.00 -0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.58 2kpw s PHE 26 CO 0.00 -0.54 -0.11 0.42 -1.34 0.00 0.00 175.22 173.65 2kpw s ILE 27 N -3.92 1.49 -0.13 -4.49 1.01 0.54 -1.32 121.20 114.38 2kpw s ILE 27 Ca 0.10 -2.14 -0.05 0.00 0.00 0.00 0.00 60.65 58.56 2kpw s ILE 27 Cb 0.06 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.54 2kpw s ILE 27 CO -0.07 -0.59 0.27 -0.60 0.00 0.00 0.00 174.94 173.95 2kpw s ARG 28 N -3.70 0.17 0.53 2.79 3.52 0.10 0.60 118.95 122.95 2kpw s ARG 28 Ca 0.22 0.73 0.05 0.00 -0.13 0.00 0.00 55.73 56.60 2kpw s ARG 28 Cb 0.01 -0.03 0.05 0.00 -1.56 0.00 0.00 34.95 33.42 2kpw s ARG 28 CO 0.05 -0.26 0.73 -0.51 -0.81 0.00 0.00 175.30 174.50 2kpw s LEU 29 N 2.19 3.35 -0.07 -0.88 1.02 -0.18 -2.04 118.68 122.06 2kpw s LEU 29 Ca -0.01 -0.38 -0.03 0.00 0.02 0.00 0.00 54.13 53.72 2kpw s LEU 29 Cb -0.12 -2.43 0.04 0.00 0.02 0.00 0.00 46.19 43.71 2kpw s LEU 29 CO -0.09 -1.12 0.13 -0.75 0.02 0.00 0.00 176.35 174.54 2kpw s LYS 30 N -4.63 0.01 -1.11 1.70 2.20 0.74 -0.96 119.74 117.70 2kpw s LYS 30 Ca 0.58 0.50 -0.20 0.00 -0.36 0.00 0.00 55.97 56.49 2kpw s LYS 30 Cb -0.09 -0.32 0.08 0.00 -1.51 0.00 0.00 37.83 35.99 2kpw s LYS 30 CO 0.37 -0.30 1.49 1.21 -0.36 0.00 0.00 175.35 177.77 2kpw s ASN 31 N 2.15 6.66 -1.05 1.43 2.47 -0.07 -1.59 114.94 124.93 2kpw s ASN 31 Ca 0.02 -1.95 -0.20 0.00 0.42 0.00 0.00 52.86 51.15 2kpw s ASN 31 Cb -0.12 -2.54 0.09 0.00 -1.45 0.00 0.00 41.25 37.23 2kpw s ASN 31 CO -0.05 -1.29 1.39 0.42 -3.72 0.00 0.00 177.10 173.85 2kpw s THR 32 N 4.19 4.28 0.21 -5.21 -4.23 0.11 -0.10 115.64 114.89 2kpw s THR 32 Ca 0.46 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.68 2kpw s THR 32 Cb 0.00 -4.98 -0.05 0.00 1.34 0.00 0.00 72.50 68.81 2kpw s THR 32 CO -0.04 -1.80 -0.03 -0.55 -0.54 0.00 0.00 174.62 171.67 2kpw s SER 33 N 4.29 1.78 0.21 3.99 0.15 -1.26 -4.65 113.70 118.21 2kpw s SER 33 Ca 0.43 -1.17 0.13 0.00 0.70 0.00 0.00 55.95 56.04 2kpw s SER 33 Cb -0.01 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 2kpw s SER 33 CO -0.06 -0.47 1.32 -0.33 1.20 0.00 0.00 173.24 174.90 2kpw h GLU 34 N 2.56 0.00 -4.30 5.44 5.08 -1.96 -3.41 114.58 117.98 2kpw h GLU 34 Ca -0.38 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.84 2kpw h GLU 34 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 2kpw h GLU 34 CO 0.64 0.62 -0.65 -1.14 -1.00 0.00 0.00 179.01 177.49 2kpw s GLN 35 N -2.88 0.76 -0.34 2.33 0.74 -1.26 -5.03 119.66 113.99 2kpw s GLN 35 Ca 0.02 -1.31 -0.28 0.00 0.05 0.00 0.00 55.36 53.84 2kpw s GLN 35 Cb 0.08 0.23 -0.01 0.00 1.10 0.00 0.00 33.01 34.41 2kpw s GLN 35 CO 0.77 -0.19 1.74 -0.51 -0.55 0.00 0.00 175.29 176.56 2kpw s ASP 36 N -2.97 5.95 -0.12 6.67 1.01 -1.26 -4.20 116.67 121.75 2kpw s ASP 36 Ca 0.14 1.23 -0.05 0.00 0.71 0.00 0.00 52.55 54.59 2kpw s ASP 36 Cb 0.08 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2kpw s ASP 36 CO -0.05 -1.67 0.08 -1.10 0.21 0.00 0.00 175.17 172.64 2kpw s GLN 37 N 5.56 3.35 0.00 8.23 -1.52 -0.39 -4.82 119.66 130.07 2kpw s GLN 37 Ca 0.77 -0.26 -0.03 0.00 -1.95 0.00 0.00 55.36 53.89 2kpw s GLN 37 Cb -0.21 -3.05 -0.14 0.00 -0.22 0.00 0.00 33.01 29.39 2kpw s GLN 37 CO 0.33 0.68 2.51 -0.35 -0.25 0.00 0.00 175.29 178.21 2kpw n PRO 38 N 2.26 1.32 0.00 2.91 -0.04 -1.26 0.10 135.00 140.28 2kpw n PRO 38 Ca -0.19 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 2kpw n PRO 38 Cb 0.54 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2kpw n PRO 38 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2kpw n MET 39 N 2.25 0.00 0.00 0.54 0.00 -1.26 -4.27 117.12 114.39 2kpw n MET 39 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 2kpw n MET 39 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.84 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 1.38 3.49 -5.12 0.00 -1.26 -4.84 105.19 98.84 2kpw n GLY 40 Ca 0.00 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 2kpw n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kpw n GLY 41 N 0.81 2.62 3.89 -0.02 0.00 -1.26 -4.05 105.19 107.18 2kpw n GLY 41 Ca 0.00 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 4.78 3.59 -0.25 1.61 0.52 -1.26 -1.82 118.94 126.11 2kpw s TRP 42 Ca 0.55 0.50 -0.01 0.00 0.02 0.00 0.00 56.10 57.16 2kpw s TRP 42 Cb 0.05 -1.93 0.03 0.00 -1.15 0.00 0.00 33.47 30.47 2kpw s TRP 42 CO 0.07 0.69 -0.07 -2.00 0.02 0.00 0.00 176.95 175.66 2kpw s GLU 43 N -1.40 2.81 -0.47 4.98 2.12 0.12 -0.52 118.70 126.34 2kpw s GLU 43 Ca 0.21 -0.99 -0.16 0.00 0.36 0.00 0.00 54.97 54.39 2kpw s GLU 43 Cb -0.13 -2.97 0.06 0.00 0.26 0.00 0.00 34.13 31.36 2kpw s GLU 43 CO 0.10 -0.40 0.40 1.41 -0.54 0.00 0.00 175.26 176.24 2kpw s MET 44 N 1.31 2.99 -0.28 4.30 -2.45 -0.48 -1.28 119.30 123.42 2kpw s MET 44 Ca -0.00 -1.26 -0.19 0.00 -1.25 0.00 0.00 55.69 52.99 2kpw s MET 44 Cb -0.17 -4.11 -0.02 0.00 1.25 0.00 0.00 34.83 31.79 2kpw s MET 44 CO -0.05 -1.01 0.58 0.42 1.05 0.00 0.00 175.02 176.02 2kpw s ILE 45 N 1.74 5.00 -0.77 10.11 1.09 0.28 -1.36 121.20 137.29 2kpw s ILE 45 Ca 0.05 0.92 -0.18 0.00 -1.10 0.00 0.00 60.65 60.34 2kpw s ILE 45 Cb -0.23 -3.91 0.15 0.00 -1.06 0.00 0.00 42.46 37.40 2kpw s ILE 45 CO 0.08 -0.01 0.87 -0.60 -0.10 0.00 0.00 174.94 175.18 2kpw s ARG 46 N 2.46 3.39 -1.17 2.79 3.52 -0.04 -0.51 118.95 129.38 2kpw s ARG 46 Ca 0.24 -1.79 -0.20 0.00 -0.13 0.00 0.00 55.73 53.84 2kpw s ARG 46 Cb -0.15 -4.53 0.05 0.00 -1.56 0.00 0.00 34.95 28.76 2kpw s ARG 46 CO 0.10 -1.55 1.63 0.15 -0.81 0.00 0.00 175.30 174.82 2kpw s LYS 47 N 1.99 3.74 0.21 5.12 1.02 0.21 -4.53 119.74 127.49 2kpw s LYS 47 Ca 0.21 -1.56 0.26 0.00 0.02 0.00 0.00 55.97 54.89 2kpw s LYS 47 Cb -0.13 -5.44 0.85 0.00 -0.52 0.00 0.00 37.83 32.58 2kpw s LYS 47 CO -0.03 -2.33 1.77 1.51 -0.92 0.00 0.00 175.35 175.36 2kpw n ILE 48 N 6.69 0.60 -2.14 2.17 3.06 -1.26 -2.92 119.36 125.57 2kpw n ILE 48 Ca 0.42 -0.21 0.00 0.00 -2.50 0.00 0.00 62.75 60.46 2kpw n ILE 48 Cb 0.48 -0.65 0.00 0.00 0.54 0.00 0.00 39.64 40.01 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 1.16 1.24 3.58 4.50 0.00 -1.26 -4.83 105.19 109.57 2kpw n GLY 49 Ca 0.05 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 2kpw n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kpw s ASP 50 N 2.00 6.62 0.21 1.61 2.15 -1.26 -4.84 116.67 123.15 2kpw s ASP 50 Ca 0.00 -2.15 -0.19 0.00 0.43 0.00 0.00 52.55 50.64 2kpw s ASP 50 Cb 0.00 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 40.11 2kpw s ASP 50 CO 0.00 -1.40 0.94 1.07 -0.17 0.00 0.00 175.17 175.61 2kpw n THR 51 N 6.63 0.00 -3.54 1.71 5.66 -1.26 -5.16 114.28 118.32 2kpw n THR 51 Ca 0.45 -0.60 -0.24 0.00 -3.05 0.00 0.00 64.05 60.62 2kpw n THR 51 Cb 0.47 0.76 -0.15 0.00 -1.55 0.00 0.00 70.33 69.87 2kpw n THR 51 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kpw s SER 52 N -3.25 2.37 -0.01 1.09 1.04 -1.26 -4.89 113.70 108.79 2kpw s SER 52 Ca 0.21 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2kpw s SER 52 Cb -0.03 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2kpw s SER 52 CO 0.06 -0.37 -0.02 0.54 0.98 0.00 0.00 173.24 174.43 2kpw s VAL 53 N 2.20 0.17 0.10 5.02 0.11 -1.26 -5.08 120.40 121.66 2kpw s VAL 53 Ca 0.06 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 2kpw s VAL 53 Cb -0.16 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2kpw s VAL 53 CO -0.21 0.07 0.18 -0.94 -3.33 0.00 0.00 175.10 170.87 2kpw s SER 54 N 0.19 0.16 -0.09 3.54 1.04 -1.26 -0.86 113.70 116.41 2kpw s SER 54 Ca -0.02 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.67 2kpw s SER 54 Cb -0.04 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2kpw s SER 54 CO -0.01 -0.75 -0.14 -0.47 0.98 0.00 0.00 173.24 172.86 2kpw s TYR 55 N -3.90 1.76 0.04 5.02 5.04 -0.47 -4.94 117.35 119.90 2kpw s TYR 55 Ca 0.08 -0.77 -0.15 0.00 -2.44 0.00 0.00 57.07 53.79 2kpw s TYR 55 Cb 0.05 -1.29 -0.06 0.00 0.35 0.00 0.00 41.96 41.01 2kpw s TYR 55 CO -0.08 -0.41 0.46 0.21 -1.34 0.00 0.00 175.55 174.39 2kpw s LYS 56 N 0.93 3.97 0.79 4.97 2.20 -1.26 -1.38 119.74 129.96 2kpw s LYS 56 Ca -0.09 0.47 -0.10 0.00 -0.36 0.00 0.00 55.97 55.89 2kpw s LYS 56 Cb -0.15 -3.16 0.18 0.00 -1.51 0.00 0.00 37.83 33.18 2kpw s LYS 56 CO 0.00 0.64 1.08 0.66 -0.36 0.00 0.00 175.35 177.37 2kpw n TYR 57 N 1.56 -3.69 -3.88 4.03 4.02 0.32 -4.99 117.16 114.53 2kpw n TYR 57 Ca -0.11 -1.19 -0.11 0.00 -0.01 0.00 0.00 57.90 56.47 2kpw n TYR 57 Cb 0.52 -0.82 -0.10 0.00 -0.02 0.00 0.00 39.34 38.91 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 -3.30 0.08 -1.09 -0.72 -1.32 -1.26 -4.59 115.64 103.45 2kpw s THR 58 Ca 0.64 -0.69 0.10 0.00 -1.21 0.00 0.00 61.69 60.53 2kpw s THR 58 Cb -0.02 -0.42 0.46 0.00 -1.51 0.00 0.00 72.50 71.01 2kpw s THR 58 CO 0.44 -0.38 1.28 -0.24 -2.21 0.00 0.00 174.62 173.51 2kpw n SER 59 N 1.49 3.30 0.00 8.08 2.88 -1.26 -4.35 113.62 123.76 2kpw n SER 59 Ca -0.23 -2.35 0.08 0.00 -1.33 0.00 0.00 58.87 55.04 2kpw n SER 59 Cb 0.56 -0.49 0.48 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.54 0.64 -3.92 -1.46 1.85 -1.26 -4.79 116.66 108.26 2kpw n ARG 60 Ca 0.16 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.92 2kpw n ARG 60 Cb 0.65 -1.39 -0.07 0.00 -1.05 0.00 0.00 32.46 30.61 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 -2.00 0.30 -0.22 2.89 -0.85 -1.26 -5.15 117.35 111.05 2kpw s TYR 61 Ca 0.24 -0.66 -0.03 0.00 -0.52 0.00 0.00 57.07 56.09 2kpw s TYR 61 Cb 0.11 0.00 -0.00 0.00 0.38 0.00 0.00 41.96 42.45 2kpw s TYR 61 CO 0.19 -0.72 -0.05 0.08 -1.52 0.00 0.00 175.55 173.52 2kpw s VAL 62 N -3.94 3.24 -0.32 -3.49 1.01 -1.26 -4.08 120.40 111.55 2kpw s VAL 62 Ca 0.15 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2kpw s VAL 62 Cb 0.03 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2kpw s VAL 62 CO -0.02 0.39 0.44 -0.22 0.00 0.00 0.00 175.10 175.69 2kpw s LEU 63 N 1.45 4.26 0.74 3.92 1.98 0.11 -4.92 118.68 126.23 2kpw s LEU 63 Ca 0.05 0.06 -0.15 0.00 -2.89 0.00 0.00 54.13 51.19 2kpw s LEU 63 Cb -0.15 -2.49 0.03 0.00 0.66 0.00 0.00 46.19 44.24 2kpw s LEU 63 CO -0.04 -0.35 1.12 0.29 -1.89 0.00 0.00 176.35 175.48 2kpw n LYS 64 N 5.53 0.51 -2.26 1.98 5.02 -1.26 -1.26 118.16 126.42 2kpw n LYS 64 Ca -0.07 0.24 -0.42 0.00 -2.02 0.00 0.00 58.31 56.05 2kpw n LYS 64 Cb 0.50 -2.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 2kpw n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kpw s ALA 65 N -1.84 3.51 -0.43 7.82 0.00 -1.26 -2.78 121.76 126.78 2kpw s ALA 65 Ca 0.75 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2kpw s ALA 65 Cb -0.33 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2kpw s ALA 65 CO 0.48 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2kpw n GLY 66 N 2.65 0.69 3.56 0.00 0.00 0.85 -4.93 105.19 108.01 2kpw n GLY 66 Ca 0.07 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.09 2.26 0.53 1.61 2.00 -1.12 -4.92 119.66 117.93 2kpw s GLN 67 Ca 0.00 -0.92 0.04 0.00 -2.00 0.00 0.00 55.36 52.48 2kpw s GLN 67 Cb 0.00 -2.35 0.04 0.00 0.80 0.00 0.00 33.01 31.50 2kpw s GLN 67 CO 0.00 0.54 0.73 0.95 -0.50 0.00 0.00 175.29 177.02 2kpw s THR 68 N -1.09 2.68 -0.10 -0.34 -4.23 -1.26 -0.90 115.64 110.40 2kpw s THR 68 Ca 0.19 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.87 2kpw s THR 68 Cb -0.11 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 70.89 2kpw s THR 68 CO 0.10 0.00 0.20 0.54 -0.54 0.00 0.00 174.62 174.93 2kpw s VAL 69 N -2.66 -0.25 -0.21 2.29 0.11 -0.13 -4.91 120.40 114.64 2kpw s VAL 69 Ca 0.58 0.28 -0.15 0.00 -2.93 0.00 0.00 61.98 59.75 2kpw s VAL 69 Cb -0.09 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 2kpw s VAL 69 CO 0.37 0.12 0.38 -0.89 -3.33 0.00 0.00 175.10 171.75 2kpw s THR 70 N 2.04 5.20 -0.07 5.04 2.01 -1.26 -1.02 115.64 127.59 2kpw s THR 70 Ca -0.01 0.66 -0.14 0.00 0.31 0.00 0.00 61.69 62.51 2kpw s THR 70 Cb -0.12 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2kpw s THR 70 CO -0.07 0.24 0.35 -0.63 -0.69 0.00 0.00 174.62 173.82 2kpw s ILE 71 N 1.40 5.19 0.53 1.82 -1.09 0.20 -0.99 121.20 128.26 2kpw s ILE 71 Ca 0.18 0.68 0.02 0.00 -2.23 0.00 0.00 60.65 59.30 2kpw s ILE 71 Cb -0.15 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2kpw s ILE 71 CO 0.08 0.51 0.11 0.26 -1.23 0.00 0.00 174.94 174.67 2kpw s TRP 72 N -0.49 1.72 0.47 3.97 0.52 -0.02 -0.34 118.94 124.77 2kpw s TRP 72 Ca 0.21 -0.96 -0.11 0.00 0.02 0.00 0.00 56.10 55.26 2kpw s TRP 72 Cb -0.15 -1.68 -0.06 0.00 -1.15 0.00 0.00 33.47 30.44 2kpw s TRP 72 CO 0.09 0.01 0.85 0.00 0.02 0.00 0.00 176.95 177.92 2kpw s ALA 73 N -2.87 3.27 0.31 0.98 0.00 -1.20 -0.26 121.76 121.98 2kpw s ALA 73 Ca 0.11 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.93 2kpw s ALA 73 Cb -0.00 -2.81 0.80 0.00 0.00 0.00 0.00 23.12 21.11 2kpw s ALA 73 CO 0.06 -0.21 1.54 0.00 0.00 0.00 0.00 175.76 177.16 2kpw n ALA 74 N -1.72 0.55 -3.47 0.00 0.00 -1.07 -2.07 120.51 112.73 2kpw n ALA 74 Ca 0.03 1.05 -0.26 0.00 0.00 0.00 0.00 53.44 54.26 2kpw n ALA 74 Cb 0.54 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.11 2kpw n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kpw n ASN 75 N -5.45 1.80 -0.06 0.00 3.02 -1.26 -4.78 115.26 108.52 2kpw n ASN 75 Ca 0.24 -2.98 0.15 0.00 -0.03 0.00 0.00 54.58 51.96 2kpw n ASN 75 Cb 0.80 -0.66 0.75 0.00 -0.61 0.00 0.00 39.78 40.07 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kpw n ALA 76 N 1.65 2.64 0.00 5.41 0.00 -0.88 -4.93 120.51 124.40 2kpw n ALA 76 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kpw n ALA 76 Cb 0.44 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 1.20 3.10 3.86 0.00 0.00 -1.26 -5.02 105.19 107.07 2kpw n GLY 77 Ca 0.17 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 2kpw n GLY 77 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kpw s VAL 78 N -0.41 1.97 0.35 1.61 -7.23 -1.26 -5.01 120.40 110.42 2kpw s VAL 78 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 2kpw s VAL 78 Cb 0.00 -2.90 -0.11 0.00 0.56 0.00 0.00 36.38 33.93 2kpw s VAL 78 CO 0.00 0.00 1.41 0.42 -0.31 0.00 0.00 175.10 176.62 2kpw s THR 79 N -3.56 2.35 0.21 5.32 -4.23 -1.26 -4.93 115.64 109.54 2kpw s THR 79 Ca 0.67 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 61.44 2kpw s THR 79 Cb -0.10 -3.22 0.15 0.00 1.34 0.00 0.00 72.50 70.67 2kpw s THR 79 CO 0.52 0.08 1.74 0.00 -0.54 0.00 0.00 174.62 176.42 2kpw h ALA 80 N 3.33 0.82 -2.78 3.99 0.00 -1.94 -3.38 119.26 119.30 2kpw h ALA 80 Ca -0.50 0.08 -0.54 0.00 0.00 0.00 0.00 54.91 53.96 2kpw h ALA 80 Cb 1.23 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.68 2kpw h ALA 80 CO 0.66 -0.18 -0.79 -1.54 0.00 0.00 0.00 179.25 177.40 2kpw s SER 81 N -5.39 3.49 0.25 0.00 1.04 -1.26 -3.56 113.70 108.27 2kpw s SER 81 Ca -0.13 -1.43 -0.03 0.00 0.48 0.00 0.00 55.95 54.85 2kpw s SER 81 Cb 0.17 -0.38 0.48 0.00 0.10 0.00 0.00 66.02 66.39 2kpw s SER 81 CO 0.75 -0.42 1.76 -0.65 0.98 0.00 0.00 173.24 175.66 2kpw h PRO 82 N 8.21 0.59 -4.58 4.02 0.11 -1.77 -3.45 132.00 135.13 2kpw h PRO 82 Ca -0.16 -0.04 -0.71 0.00 0.11 0.00 0.00 66.00 65.20 2kpw h PRO 82 Cb 1.00 -0.13 -0.21 0.00 0.11 0.00 0.00 31.00 31.78 2kpw h PRO 82 CO 0.42 0.39 -0.38 -1.25 -0.21 0.00 0.00 178.00 176.97 2kpw s PRO 83 N -6.00 3.00 0.12 1.05 0.04 -1.26 -5.09 135.00 126.86 2kpw s PRO 83 Ca -0.12 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 59.95 2kpw s PRO 83 Cb 0.21 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2kpw s PRO 83 CO 0.77 -0.78 0.00 0.25 0.04 0.00 0.00 177.00 177.29 2kpw n THR 84 N 5.22 0.02 -2.37 1.26 -2.24 -1.26 -5.06 114.28 109.86 2kpw n THR 84 Ca -0.10 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 2kpw n THR 84 Cb 0.47 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2kpw n THR 84 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kpw s ASP 85 N -4.45 7.04 -0.43 3.42 1.11 -1.26 -4.68 116.67 117.42 2kpw s ASP 85 Ca 0.00 2.10 -0.15 0.00 0.18 0.00 0.00 52.55 54.68 2kpw s ASP 85 Cb 0.00 -2.58 0.04 0.00 1.07 0.00 0.00 42.92 41.44 2kpw s ASP 85 CO 0.00 -0.48 0.33 -0.76 1.18 0.00 0.00 175.17 175.43 2kpw s LEU 86 N 0.86 5.26 0.06 1.23 1.43 -0.16 -4.41 118.68 122.94 2kpw s LEU 86 Ca 0.59 -1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2kpw s LEU 86 Cb -0.31 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2kpw s LEU 86 CO 0.31 -0.51 1.08 -0.63 0.23 0.00 0.00 176.35 176.83 2kpw s ILE 87 N 1.66 4.37 -1.08 -0.59 1.09 -1.23 -0.84 121.20 124.58 2kpw s ILE 87 Ca 0.05 1.76 -0.22 0.00 -1.10 0.00 0.00 60.65 61.13 2kpw s ILE 87 Cb -0.21 -4.13 -0.09 0.00 -1.06 0.00 0.00 42.46 36.97 2kpw s ILE 87 CO 0.09 0.17 1.92 1.87 -0.10 0.00 0.00 174.94 178.89 2kpw n TRP 88 N 3.63 2.66 0.77 3.97 -0.00 0.64 -4.74 117.44 124.36 2kpw n TRP 88 Ca 0.06 -1.69 0.07 0.00 -0.00 0.00 0.00 57.50 55.94 2kpw n TRP 88 Cb 0.48 -2.37 0.38 0.00 -0.00 0.00 0.00 31.31 29.80 2kpw n TRP 88 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 2kpw n LYS 89 N 7.89 0.34 0.00 5.87 5.02 -1.26 -2.27 118.16 133.76 2kpw n LYS 89 Ca 0.47 0.06 0.10 0.00 -2.02 0.00 0.00 58.31 56.92 2kpw n LYS 89 Cb 0.45 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.11 0.71 -3.61 4.39 4.13 -1.26 -4.98 115.26 113.54 2kpw n ASN 90 Ca 0.09 -0.66 -0.12 0.00 1.68 0.00 0.00 54.58 55.57 2kpw n ASN 90 Cb 0.07 1.18 -0.07 0.00 -1.54 0.00 0.00 39.78 39.42 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 -3.14 0.71 0.00 3.52 0.74 -0.96 -5.06 119.66 115.46 2kpw s GLN 91 Ca 0.04 0.58 0.00 0.00 0.05 0.00 0.00 55.36 56.03 2kpw s GLN 91 Cb 0.15 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.60 2kpw s GLN 91 CO 0.86 -0.14 0.00 0.09 -0.55 0.00 0.00 175.29 175.56 2kpw n ASN 92 N 1.89 -0.20 -3.50 6.67 4.13 -1.26 -2.88 115.26 120.11 2kpw n ASN 92 Ca -0.14 -0.32 -0.30 0.00 1.68 0.00 0.00 54.58 55.50 2kpw n ASN 92 Cb 0.56 0.00 0.28 0.00 -1.54 0.00 0.00 39.78 39.08 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2kpw s SER 93 N -1.24 -0.83 0.17 6.41 0.15 -1.26 -4.56 113.70 112.54 2kpw s SER 93 Ca 0.00 0.84 -0.03 0.00 0.70 0.00 0.00 55.95 57.46 2kpw s SER 93 Cb 0.00 -1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.08 2kpw s SER 93 CO 0.00 -5.22 0.15 -1.66 1.20 0.00 0.00 173.24 167.71 2kpw s TRP 94 N -2.36 0.90 0.00 3.44 -2.14 -1.26 -5.07 118.94 112.45 2kpw s TRP 94 Ca 0.69 -1.20 0.00 0.00 2.66 0.00 0.00 56.10 58.24 2kpw s TRP 94 Cb -0.13 -0.41 0.00 0.00 -3.10 0.00 0.00 33.47 29.83 2kpw s TRP 94 CO 0.58 -0.63 0.00 0.41 -2.66 0.00 0.00 176.95 174.65 2kpw n GLY 95 N -0.21 -1.80 0.03 3.67 0.00 -1.26 -4.05 105.19 101.57 2kpw n GLY 95 Ca -0.02 0.73 -0.01 0.00 0.00 0.00 0.00 46.02 46.72 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2kpw h THR 96 N 0.00 0.00 0.00 2.61 1.35 -1.91 -3.50 112.91 111.46 2kpw h THR 96 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 2kpw h THR 96 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2kpw h THR 96 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2kpw n GLY 97 N 1.72 1.89 0.25 5.82 0.00 -1.26 -5.03 105.19 108.57 2kpw n GLY 97 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2kpw n GLY 97 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kpw h GLU 98 N 0.00 -0.59 -1.24 1.61 4.39 -1.96 -3.47 114.58 113.31 2kpw h GLU 98 Ca 0.00 0.04 0.28 0.00 0.34 0.00 0.00 59.36 60.03 2kpw h GLU 98 Cb 0.00 0.13 -0.21 0.00 -0.10 0.00 0.00 28.75 28.58 2kpw h GLU 98 CO 0.00 -0.40 0.90 0.34 -1.16 0.00 0.00 179.01 178.69 2kpw s ASP 99 N -3.76 -0.07 -0.68 1.42 -1.08 -1.26 -4.34 116.67 106.90 2kpw s ASP 99 Ca -0.09 0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 51.92 2kpw s ASP 99 Cb 0.01 0.08 0.17 0.00 -1.46 0.00 0.00 42.92 41.72 2kpw s ASP 99 CO 0.27 -0.12 0.51 0.54 0.52 0.00 0.00 175.17 176.89 2kpw s VAL 100 N -2.08 3.94 -0.16 1.11 0.11 -1.26 -4.75 120.40 117.31 2kpw s VAL 100 Ca 0.10 -3.05 -0.19 0.00 -2.93 0.00 0.00 61.98 55.91 2kpw s VAL 100 Cb -0.01 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.27 2kpw s VAL 100 CO -0.04 -0.92 0.52 -0.75 -3.33 0.00 0.00 175.10 170.58 2kpw s LYS 101 N -0.23 4.26 -0.05 1.54 2.20 -1.15 -4.03 119.74 122.29 2kpw s LYS 101 Ca 0.18 0.46 0.06 0.00 -0.36 0.00 0.00 55.97 56.32 2kpw s LYS 101 Cb -0.18 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 2kpw s LYS 101 CO -0.05 -0.03 -0.23 0.08 -0.36 0.00 0.00 175.35 174.76 2kpw s VAL 102 N 1.23 2.27 -0.03 4.02 1.01 -0.03 0.67 120.40 129.54 2kpw s VAL 102 Ca 0.26 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.31 2kpw s VAL 102 Cb -0.15 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2kpw s VAL 102 CO 0.10 0.57 -0.23 -0.63 0.00 0.00 0.00 175.10 174.92 2kpw s ILE 103 N -0.30 1.81 -0.29 2.22 -1.09 0.33 -1.31 121.20 122.57 2kpw s ILE 103 Ca 0.01 -0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 57.41 2kpw s ILE 103 Cb -0.13 -1.51 0.02 0.00 -1.58 0.00 0.00 42.46 39.26 2kpw s ILE 103 CO 0.02 0.51 0.04 -0.76 -1.23 0.00 0.00 174.94 173.53 2kpw s LEU 104 N -0.43 3.74 0.19 2.97 1.43 -0.09 -0.56 118.68 125.94 2kpw s LEU 104 Ca 0.06 -0.84 0.07 0.00 -1.03 0.00 0.00 54.13 52.38 2kpw s LEU 104 Cb -0.10 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2kpw s LEU 104 CO 0.00 -0.20 0.09 -0.54 0.23 0.00 0.00 176.35 175.93 2kpw s LYS 105 N 1.43 2.68 0.60 1.70 1.02 -0.40 -2.06 119.74 124.70 2kpw s LYS 105 Ca 0.01 -1.03 0.09 0.00 0.02 0.00 0.00 55.97 55.05 2kpw s LYS 105 Cb -0.17 -2.49 0.10 0.00 -0.52 0.00 0.00 37.83 34.74 2kpw s LYS 105 CO 0.01 0.45 0.83 -0.80 -0.92 0.00 0.00 175.35 174.91 2kpw s ASN 106 N -3.23 4.99 0.32 2.83 0.02 0.37 -0.70 114.94 119.53 2kpw s ASN 106 Ca 0.30 -0.83 0.10 0.00 -1.02 0.00 0.00 52.86 51.41 2kpw s ASN 106 Cb -0.09 0.33 0.92 0.00 0.02 0.00 0.00 41.25 42.44 2kpw s ASN 106 CO 0.22 -1.43 1.70 -1.28 0.02 0.00 0.00 177.10 176.32 2kpw h SER 107 N 0.08 0.53 -0.36 -1.22 0.87 -1.67 -0.33 113.55 111.44 2kpw h SER 107 Ca -0.30 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2kpw h SER 107 Cb 1.29 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2kpw h SER 107 CO 0.40 -0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.69 2kpw n GLN 108 N -4.99 2.51 0.00 2.24 6.02 -1.26 -4.87 117.38 117.03 2kpw n GLN 108 Ca 0.28 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.68 2kpw n GLN 108 Cb 0.81 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.47 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 0.76 3.04 3.66 1.08 0.00 -0.13 -4.99 105.19 108.61 2kpw n GLY 109 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kpw n GLU 110 N -1.69 1.79 -3.61 1.61 0.28 -1.26 -4.54 120.64 113.23 2kpw n GLU 110 Ca 0.00 0.65 -0.37 0.00 -0.16 0.00 0.00 57.16 57.28 2kpw n GLU 110 Cb 0.00 -2.40 -0.06 0.00 1.43 0.00 0.00 31.44 30.40 2kpw n GLU 110 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kpw s GLU 111 N 2.22 3.90 0.14 3.44 2.12 -1.26 -0.48 118.70 128.77 2kpw s GLU 111 Ca 0.87 0.18 0.00 0.00 0.36 0.00 0.00 54.97 56.38 2kpw s GLU 111 Cb -0.80 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.31 2kpw s GLU 111 CO 0.48 0.57 0.00 1.33 -0.54 0.00 0.00 175.26 177.10 2kpw n VAL 112 N 2.43 0.85 -4.06 3.70 0.24 -0.88 -4.99 118.33 115.61 2kpw n VAL 112 Ca -0.15 0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 62.17 2kpw n VAL 112 Cb 0.53 -1.27 -0.05 0.00 -1.47 0.00 0.00 33.84 31.58 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 -2.00 3.61 0.05 2.33 0.00 -1.19 -5.00 121.76 119.56 2kpw s ALA 113 Ca 0.00 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2kpw s ALA 113 Cb 0.00 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.75 2kpw s ALA 113 CO 0.00 0.53 0.46 1.14 0.00 0.00 0.00 175.76 177.89 2kpw s GLN 114 N -3.05 0.98 -0.29 0.00 -2.07 -1.26 -0.91 119.66 113.06 2kpw s GLN 114 Ca 0.31 -0.32 -0.14 0.00 -1.82 0.00 0.00 55.36 53.39 2kpw s GLN 114 Cb -0.10 0.44 0.14 0.00 -1.09 0.00 0.00 33.01 32.40 2kpw s GLN 114 CO 0.24 -0.35 0.88 0.50 -1.32 0.00 0.00 175.29 175.24 2kpw s ARG 115 N -2.52 0.42 -0.18 9.60 3.52 -0.42 -4.94 118.95 124.43 2kpw s ARG 115 Ca -0.05 0.92 -0.06 0.00 -0.13 0.00 0.00 55.73 56.41 2kpw s ARG 115 Cb -0.01 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.75 2kpw s ARG 115 CO -0.02 -0.12 0.03 -1.54 -0.81 0.00 0.00 175.30 172.84 2kpw s SER 116 N 2.15 5.40 0.00 -2.12 1.04 -1.26 -0.85 113.70 118.05 2kpw s SER 116 Ca -0.06 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2kpw s SER 116 Cb -0.06 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2kpw s SER 116 CO -0.17 0.17 0.00 0.35 0.98 0.00 0.00 173.24 174.57 2kpw n THR 117 N 3.54 0.00 0.00 2.02 -2.24 -1.26 -5.03 114.28 111.32 2kpw n THR 117 Ca -0.17 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2kpw n THR 117 Cb 0.52 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2kpw n THR 117 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kpw n VAL 118 N 0.00 0.00 0.18 2.28 3.14 -1.26 -5.03 118.33 117.64 2kpw n VAL 118 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2kpw n VAL 118 Cb 0.00 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.85 2kpw n VAL 118 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 2kpw n PHE 119 N -0.01 1.12 1.10 1.45 1.16 -1.26 -4.36 117.46 116.66 2kpw n PHE 119 Ca 0.00 -0.97 0.11 0.00 -1.87 0.00 0.00 57.45 54.72 2kpw n PHE 119 Cb 0.00 -0.50 0.58 0.00 -1.61 0.00 0.00 39.48 37.95 2kpw n PHE 119 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2kpw n LYS 120 N -0.10 0.35 0.00 3.97 4.81 -1.26 -3.50 118.16 122.44 2kpw n LYS 120 Ca 0.22 0.07 0.03 0.00 -0.87 0.00 0.00 58.31 57.75 2kpw n LYS 120 Cb 0.92 -1.50 0.16 0.00 0.02 0.00 0.00 35.03 34.64 2kpw n LYS 120 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2kpw n THR 121 N -1.26 0.00 1.67 3.15 5.66 -1.26 -5.30 114.28 116.93 2kpw n THR 121 Ca 0.11 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.26 2kpw n THR 121 Cb 0.17 -0.91 0.67 0.00 -1.55 0.00 0.00 70.33 68.71 2kpw n THR 121 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37