#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 -2.14 2.76 -5.12 0.00 -1.26 -5.12 105.19 94.31 2kpw n GLY 2 Ca 0.00 1.04 -0.17 0.00 0.00 0.00 0.00 46.02 46.88 2kpw n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kpw s HIS 3 N 0.00 -0.43 -1.30 1.61 0.00 -1.26 -5.02 115.29 108.89 2kpw s HIS 3 Ca 0.00 -0.11 0.17 0.00 -3.00 0.00 0.00 55.06 52.12 2kpw s HIS 3 Cb 0.00 -0.45 0.65 0.00 -4.00 0.00 0.00 32.58 28.79 2kpw s HIS 3 CO 0.00 -0.87 1.55 0.72 -1.00 0.00 0.00 174.74 175.14 2kpw n HIS 4 N 5.31 1.31 -1.64 0.38 -0.00 -1.26 -4.94 115.22 114.39 2kpw n HIS 4 Ca -0.03 -0.53 -0.19 0.00 -0.00 0.00 0.00 57.72 56.97 2kpw n HIS 4 Cb 0.47 -0.20 -0.07 0.00 -0.00 0.00 0.00 29.99 30.19 2kpw n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kpw n HIS 5 N 1.09 -0.10 -1.82 4.41 -0.00 -1.26 -4.97 115.22 112.56 2kpw n HIS 5 Ca 0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.84 2kpw n HIS 5 Cb 0.79 -3.22 0.07 0.00 -0.00 0.00 0.00 29.99 27.63 2kpw n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kpw n HIS 6 N -2.64 -3.66 -1.77 1.57 -0.00 -1.26 -4.59 115.22 102.87 2kpw n HIS 6 Ca -0.19 -0.61 -0.05 0.00 -0.00 0.00 0.00 57.72 56.87 2kpw n HIS 6 Cb 0.62 -0.39 -0.01 0.00 -0.00 0.00 0.00 29.99 30.21 2kpw n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kpw n HIS 7 N -2.46 -0.17 -1.96 -1.40 -0.00 -1.26 -5.03 115.22 102.94 2kpw n HIS 7 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.42 2kpw n HIS 7 Cb 0.25 -1.59 0.03 0.00 -0.00 0.00 0.00 29.99 28.68 2kpw n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpw s HIS 8 N -2.24 2.39 1.34 1.57 5.65 -1.26 -5.02 115.29 117.71 2kpw s HIS 8 Ca 0.00 1.48 -0.21 0.00 0.25 0.00 0.00 55.06 56.59 2kpw s HIS 8 Cb 0.00 -3.57 0.34 0.00 -1.18 0.00 0.00 32.58 28.17 2kpw s HIS 8 CO 0.00 -2.37 0.98 0.45 -0.65 0.00 0.00 174.74 173.16 2kpw s SER 9 N -1.39 -0.32 -0.01 9.88 0.15 -1.26 -5.04 113.70 115.70 2kpw s SER 9 Ca 0.75 0.89 0.03 0.00 0.70 0.00 0.00 55.95 58.32 2kpw s SER 9 Cb -0.33 -1.29 -0.03 0.00 -1.71 0.00 0.00 66.02 62.66 2kpw s SER 9 CO 0.37 -4.92 -0.08 -1.00 1.20 0.00 0.00 173.24 168.81 2kpw s HIS 10 N -2.47 2.85 -0.49 3.44 4.02 -1.26 -5.09 115.29 116.30 2kpw s HIS 10 Ca 0.69 -0.05 -0.26 0.00 1.02 0.00 0.00 55.06 56.46 2kpw s HIS 10 Cb -0.14 -1.62 0.03 0.00 -1.02 0.00 0.00 32.58 29.83 2kpw s HIS 10 CO 0.58 0.33 0.96 -1.64 1.02 0.00 0.00 174.74 175.99 2kpw s MET 11 N -1.21 3.50 0.17 1.40 1.00 -1.26 -4.91 119.30 117.98 2kpw s MET 11 Ca 0.15 0.11 0.05 0.00 0.00 0.00 0.00 55.69 56.00 2kpw s MET 11 Cb -0.11 -3.96 -0.02 0.00 0.00 0.00 0.00 34.83 30.75 2kpw s MET 11 CO 0.05 -1.31 1.38 0.00 0.00 0.00 0.00 175.02 175.14 2kpw h THR 12 N 6.08 1.56 0.00 2.05 1.03 -1.98 -3.38 112.91 118.27 2kpw h THR 12 Ca -0.24 -2.80 0.00 0.00 -0.01 0.00 0.00 66.41 63.35 2kpw h THR 12 Cb 1.07 2.55 0.00 0.00 -1.07 0.00 0.00 68.15 70.71 2kpw h THR 12 CO 1.05 0.81 0.00 0.61 -0.01 0.00 0.00 175.52 177.98 2kpw n GLY 13 N 0.94 -1.25 3.01 2.99 0.00 -1.26 -4.36 105.19 105.26 2kpw n GLY 13 Ca -0.02 -2.11 -0.04 0.00 0.00 0.00 0.00 46.02 43.84 2kpw n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpw s ASN 14 N -4.00 -0.41 -0.05 1.61 2.47 -1.26 -5.09 114.94 108.20 2kpw s ASN 14 Ca 0.00 0.41 0.03 0.00 0.42 0.00 0.00 52.86 53.72 2kpw s ASN 14 Cb 0.00 1.53 0.00 0.00 -1.45 0.00 0.00 41.25 41.34 2kpw s ASN 14 CO 0.00 -0.29 -0.14 -0.69 -3.72 0.00 0.00 177.10 172.26 2kpw s VAL 15 N 2.67 1.22 0.12 -5.21 1.01 -1.26 -2.45 120.40 116.51 2kpw s VAL 15 Ca 0.15 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2kpw s VAL 15 Cb -0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2kpw s VAL 15 CO -0.19 0.36 -0.09 0.00 0.00 0.00 0.00 175.10 175.18 2kpw s ILE 17 N -3.25 4.62 -0.14 0.00 1.01 -1.26 0.28 121.20 122.46 2kpw s ILE 17 Ca 0.13 1.57 -0.28 0.00 0.00 0.00 0.00 60.65 62.08 2kpw s ILE 17 Cb 0.02 -4.31 -0.25 0.00 0.01 0.00 0.00 42.46 37.93 2kpw s ILE 17 CO -0.01 -0.37 0.72 -0.08 0.00 0.00 0.00 174.94 175.19 2kpw h GLU 18 N 8.04 0.00 -2.08 2.79 4.81 -1.25 -3.48 114.58 123.41 2kpw h GLU 18 Ca -0.22 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2kpw h GLU 18 Cb 1.07 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.27 2kpw h GLU 18 CO 0.98 0.98 0.27 -2.00 -0.73 0.00 0.00 179.01 178.50 2kpw s GLU 19 N -2.21 1.00 0.10 1.92 2.12 -1.17 -5.06 118.70 115.39 2kpw s GLU 19 Ca -0.19 0.11 0.08 0.00 0.36 0.00 0.00 54.97 55.33 2kpw s GLU 19 Cb -0.02 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 2kpw s GLU 19 CO 0.67 -0.34 -0.16 0.42 -0.54 0.00 0.00 175.26 175.31 2kpw s ILE 20 N -1.63 2.96 0.49 -3.70 1.01 -1.26 -0.68 121.20 118.38 2kpw s ILE 20 Ca -0.07 -1.40 -0.23 0.00 0.00 0.00 0.00 60.65 58.95 2kpw s ILE 20 Cb -0.00 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 40.05 2kpw s ILE 20 CO 0.04 0.14 1.34 -0.67 0.00 0.00 0.00 174.94 175.80 2kpw n ASP 21 N 0.89 2.76 0.10 3.58 2.03 -0.35 -4.91 116.55 120.64 2kpw n ASP 21 Ca -0.15 1.04 -0.03 0.00 0.52 0.00 0.00 54.79 56.17 2kpw n ASP 21 Cb 0.52 -1.56 0.17 0.00 -0.72 0.00 0.00 41.12 39.54 2kpw n ASP 21 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2kpw h VAL 22 N 1.79 1.37 0.06 5.18 3.04 -1.98 -3.27 116.25 122.45 2kpw h VAL 22 Ca -0.50 -1.82 -0.12 0.00 -1.01 0.00 0.00 66.70 63.24 2kpw h VAL 22 Cb 1.29 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 32.48 2kpw h VAL 22 CO 0.59 0.54 -0.60 -0.78 -1.01 0.00 0.00 177.57 176.31 2kpw h ASP 23 N 0.15 0.21 0.00 3.17 1.82 -1.94 -3.38 116.42 116.45 2kpw h ASP 23 Ca 0.00 -0.91 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 2kpw h ASP 23 Cb 1.00 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.94 2kpw h ASP 23 CO 0.08 1.27 0.00 0.61 -1.61 0.00 0.00 179.24 179.59 2kpw n GLY 24 N 1.63 1.26 0.09 -0.78 0.00 -1.23 -2.91 105.19 103.25 2kpw n GLY 24 Ca -0.16 0.00 -0.04 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 0.00 0.63 -3.70 1.61 5.02 -1.26 -3.75 118.16 116.71 2kpw n LYS 25 Ca 0.00 0.26 -0.10 0.00 -2.02 0.00 0.00 58.31 56.45 2kpw n LYS 25 Cb 0.00 -1.80 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 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 -2.76 -0.09 -0.13 2.13 -0.12 -1.26 -2.65 117.98 113.10 2kpw s PHE 26 Ca -0.04 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 2kpw s PHE 26 Cb 0.08 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.67 2kpw s PHE 26 CO 0.82 -0.67 -0.13 0.42 -0.05 0.00 0.00 175.22 175.62 2kpw s ILE 27 N -3.83 1.41 -0.36 -4.49 1.01 -0.19 -1.21 121.20 113.55 2kpw s ILE 27 Ca 0.04 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 2kpw s ILE 27 Cb 0.03 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 2kpw s ILE 27 CO -0.11 0.43 0.53 -0.60 0.00 0.00 0.00 174.94 175.19 2kpw s ARG 28 N 1.48 3.58 0.33 2.79 3.52 0.14 -0.09 118.95 130.71 2kpw s ARG 28 Ca 0.03 -0.18 0.07 0.00 -0.13 0.00 0.00 55.73 55.52 2kpw s ARG 28 Cb -0.13 -3.82 -0.01 0.00 -1.56 0.00 0.00 34.95 29.42 2kpw s ARG 28 CO -0.09 -0.68 0.44 -0.51 -0.81 0.00 0.00 175.30 173.65 2kpw s LEU 29 N 2.44 3.92 -0.15 -0.88 1.02 0.31 -0.75 118.68 124.58 2kpw s LEU 29 Ca 0.19 -0.23 -0.14 0.00 0.02 0.00 0.00 54.13 53.97 2kpw s LEU 29 Cb -0.15 -2.67 0.04 0.00 0.02 0.00 0.00 46.19 43.42 2kpw s LEU 29 CO 0.14 -0.42 0.41 -0.75 0.02 0.00 0.00 176.35 175.75 2kpw s LYS 30 N -4.15 0.48 0.20 1.70 2.20 0.14 -0.68 119.74 119.63 2kpw s LYS 30 Ca 0.44 0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 56.47 2kpw s LYS 30 Cb -0.09 0.22 -0.08 0.00 -1.51 0.00 0.00 37.83 36.38 2kpw s LYS 30 CO 0.30 -0.06 0.63 1.21 -0.36 0.00 0.00 175.35 177.08 2kpw s ASN 31 N 0.27 6.90 0.00 1.43 2.47 -0.15 -1.16 114.94 124.69 2kpw s ASN 31 Ca -0.00 1.22 0.01 0.00 0.42 0.00 0.00 52.86 54.50 2kpw s ASN 31 Cb -0.03 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.45 2kpw s ASN 31 CO 0.00 0.04 0.93 0.35 -3.72 0.00 0.00 177.10 174.70 2kpw n THR 32 N 0.61 0.82 -2.43 -5.21 -2.24 -1.02 -3.86 114.28 100.95 2kpw n THR 32 Ca -0.03 -0.91 -0.31 0.00 -2.27 0.00 0.00 64.05 60.52 2kpw n THR 32 Cb 0.52 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 2kpw n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kpw s SER 33 N -0.84 6.53 0.00 3.42 1.04 -1.26 -4.84 113.70 117.76 2kpw s SER 33 Ca 0.02 1.43 0.11 0.00 0.48 0.00 0.00 55.95 57.98 2kpw s SER 33 Cb 0.01 -2.45 0.47 0.00 0.10 0.00 0.00 66.02 64.14 2kpw s SER 33 CO 0.01 -0.59 1.33 -0.62 0.98 0.00 0.00 173.24 174.35 2kpw n GLU 34 N -1.71 1.32 -3.85 4.02 1.02 -1.26 -2.58 120.64 117.60 2kpw n GLU 34 Ca 0.05 -0.49 -0.10 0.00 -0.02 0.00 0.00 57.16 56.60 2kpw n GLU 34 Cb 0.54 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.85 0.73 -0.43 3.49 0.74 -1.26 -4.89 119.66 116.19 2kpw s GLN 35 Ca 0.18 -0.72 -0.28 0.00 0.05 0.00 0.00 55.36 54.59 2kpw s GLN 35 Cb 0.09 0.30 -0.02 0.00 1.10 0.00 0.00 33.01 34.48 2kpw s GLN 35 CO 0.13 -0.22 1.83 -0.51 -0.55 0.00 0.00 175.29 175.97 2kpw s ASP 36 N -2.30 5.64 -0.01 6.67 1.11 -1.26 -3.88 116.67 122.64 2kpw s ASP 36 Ca -0.02 0.95 0.00 0.00 0.18 0.00 0.00 52.55 53.66 2kpw s ASP 36 Cb 0.01 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 2kpw s ASP 36 CO -0.06 -1.97 0.04 -1.10 1.18 0.00 0.00 175.17 173.26 2kpw s GLN 37 N 6.20 2.93 0.81 8.23 -1.52 -0.30 -4.83 119.66 131.19 2kpw s GLN 37 Ca 0.75 -0.54 -0.14 0.00 -1.95 0.00 0.00 55.36 53.48 2kpw s GLN 37 Cb -0.18 -2.77 0.03 0.00 -0.22 0.00 0.00 33.01 29.87 2kpw s GLN 37 CO 0.29 0.64 0.81 -2.30 -0.25 0.00 0.00 175.29 174.47 2kpw n PRO 38 N 1.34 0.12 0.26 2.91 -0.02 -1.26 0.97 135.00 139.33 2kpw n PRO 38 Ca -0.14 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.53 2kpw n PRO 38 Cb 0.53 -2.11 0.68 0.00 -0.02 0.00 0.00 33.50 32.57 2kpw n PRO 38 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2kpw h MET 39 N -0.86 0.00 0.00 -0.52 4.05 -1.77 -3.42 114.93 112.41 2kpw h MET 39 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2kpw h MET 39 Cb 1.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2kpw h MET 39 CO 0.42 0.01 0.00 0.41 0.23 0.00 0.00 176.91 177.98 2kpw n GLY 40 N -1.47 -0.82 2.64 1.39 0.00 -1.26 -4.71 105.19 100.96 2kpw n GLY 40 Ca -0.03 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.83 5.87 4.01 -0.02 0.00 -1.26 -3.69 105.19 109.27 2kpw n GLY 41 Ca 0.00 -2.73 -0.18 0.00 0.00 0.00 0.00 46.02 43.10 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 -3.62 2.43 -0.01 1.61 0.51 -1.26 -3.48 118.94 115.11 2kpw s TRP 42 Ca 0.48 -0.42 0.01 0.00 -2.12 0.00 0.00 56.10 54.05 2kpw s TRP 42 Cb 0.37 -2.42 0.01 0.00 -0.81 0.00 0.00 33.47 30.62 2kpw s TRP 42 CO -0.20 -0.71 -0.03 -2.00 -0.51 0.00 0.00 176.95 173.50 2kpw s GLU 43 N -4.52 0.30 -0.23 4.98 2.12 -0.68 -0.51 118.70 120.17 2kpw s GLU 43 Ca 0.57 -0.08 -0.07 0.00 0.36 0.00 0.00 54.97 55.75 2kpw s GLU 43 Cb -0.09 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.93 2kpw s GLU 43 CO 0.36 0.02 0.07 1.41 -0.54 0.00 0.00 175.26 176.58 2kpw s MET 44 N 0.21 3.74 -0.22 4.30 -2.45 -0.02 -2.74 119.30 122.12 2kpw s MET 44 Ca -0.02 -0.44 -0.07 0.00 -1.25 0.00 0.00 55.69 53.91 2kpw s MET 44 Cb -0.05 -3.30 -0.04 0.00 1.25 0.00 0.00 34.83 32.70 2kpw s MET 44 CO -0.00 -0.06 0.07 0.42 1.05 0.00 0.00 175.02 176.50 2kpw s ILE 45 N 1.28 4.56 -0.21 10.11 1.09 0.01 -0.66 121.20 137.39 2kpw s ILE 45 Ca 0.05 -0.10 -0.19 0.00 -1.10 0.00 0.00 60.65 59.31 2kpw s ILE 45 Cb -0.15 -3.10 -0.03 0.00 -1.06 0.00 0.00 42.46 38.12 2kpw s ILE 45 CO 0.04 0.38 0.56 -0.60 -0.10 0.00 0.00 174.94 175.22 2kpw s ARG 46 N 1.09 4.18 -0.33 2.79 3.52 0.42 -0.06 118.95 130.56 2kpw s ARG 46 Ca 0.04 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 2kpw s ARG 46 Cb -0.14 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 29.74 2kpw s ARG 46 CO 0.03 -0.22 0.03 0.15 -0.81 0.00 0.00 175.30 174.49 2kpw s LYS 47 N 1.86 2.09 0.01 5.12 1.02 0.50 -2.78 119.74 127.56 2kpw s LYS 47 Ca 0.25 -1.54 0.20 0.00 0.02 0.00 0.00 55.97 54.90 2kpw s LYS 47 Cb -0.16 -3.22 -0.20 0.00 -0.52 0.00 0.00 37.83 33.74 2kpw s LYS 47 CO 0.10 -0.78 0.62 1.51 -0.92 0.00 0.00 175.35 175.87 2kpw n ILE 48 N 4.50 0.71 0.00 2.17 3.06 -1.24 -0.33 119.36 128.23 2kpw n ILE 48 Ca -0.07 -0.63 0.00 0.00 -2.50 0.00 0.00 62.75 59.55 2kpw n ILE 48 Cb 0.42 -0.36 0.00 0.00 0.54 0.00 0.00 39.64 40.24 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 1.37 -1.74 0.14 4.50 0.00 -1.26 -4.84 105.19 103.35 2kpw n GLY 49 Ca -0.10 0.71 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 2kpw n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kpw n ASP 50 N 0.00 2.10 -4.87 1.61 5.75 -1.26 -4.94 116.55 114.93 2kpw n ASP 50 Ca 0.00 0.21 -0.33 0.00 -0.01 0.00 0.00 54.79 54.66 2kpw n ASP 50 Cb 0.00 -0.85 -0.05 0.00 -1.03 0.00 0.00 41.12 39.19 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2kpw s THR 51 N -2.54 5.02 0.19 2.12 -1.32 -1.26 -5.10 115.64 112.74 2kpw s THR 51 Ca -0.24 0.42 -0.02 0.00 -1.21 0.00 0.00 61.69 60.64 2kpw s THR 51 Cb 0.07 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.38 2kpw s THR 51 CO 0.74 0.10 0.14 -0.94 -2.21 0.00 0.00 174.62 172.45 2kpw s SER 52 N -2.12 0.17 -0.24 8.08 1.04 -1.26 -3.65 113.70 115.71 2kpw s SER 52 Ca 0.41 -1.31 -0.26 0.00 0.48 0.00 0.00 55.95 55.27 2kpw s SER 52 Cb -0.13 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.45 2kpw s SER 52 CO 0.21 -0.84 0.80 0.54 0.98 0.00 0.00 173.24 174.93 2kpw s VAL 53 N -4.12 0.00 0.27 5.02 0.11 -1.12 -4.98 120.40 115.58 2kpw s VAL 53 Ca 0.34 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.50 2kpw s VAL 53 Cb 0.07 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 2kpw s VAL 53 CO 0.09 0.00 -0.08 -0.94 -3.33 0.00 0.00 175.10 170.84 2kpw s SER 54 N 0.08 4.19 -0.15 3.54 1.04 -1.26 -0.44 113.70 120.71 2kpw s SER 54 Ca -0.01 -0.78 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 2kpw s SER 54 Cb -0.04 -0.64 0.07 0.00 0.10 0.00 0.00 66.02 65.50 2kpw s SER 54 CO 0.01 0.02 0.20 -0.47 0.98 0.00 0.00 173.24 173.97 2kpw s TYR 55 N -2.36 -0.23 0.12 5.02 5.04 0.16 -4.91 117.35 120.20 2kpw s TYR 55 Ca 0.31 0.45 -0.22 0.00 -2.44 0.00 0.00 57.07 55.16 2kpw s TYR 55 Cb -0.06 -0.30 -0.07 0.00 0.35 0.00 0.00 41.96 41.88 2kpw s TYR 55 CO 0.18 -0.44 0.67 0.21 -1.34 0.00 0.00 175.55 174.83 2kpw s LYS 56 N 2.32 4.36 0.20 4.97 2.20 -1.26 -0.84 119.74 131.69 2kpw s LYS 56 Ca 0.04 0.92 -0.17 0.00 -0.36 0.00 0.00 55.97 56.41 2kpw s LYS 56 Cb -0.14 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.89 2kpw s LYS 56 CO -0.09 0.59 0.66 0.71 -0.36 0.00 0.00 175.35 176.86 2kpw s TYR 57 N -1.16 3.60 -0.09 4.03 1.51 0.34 -4.98 117.35 120.59 2kpw s TYR 57 Ca 0.33 1.23 0.04 0.00 -1.01 0.00 0.00 57.07 57.66 2kpw s TYR 57 Cb -0.21 -2.51 0.00 0.00 -0.11 0.00 0.00 41.96 39.14 2kpw s TYR 57 CO 0.22 0.34 -0.22 -0.08 -1.11 0.00 0.00 175.55 174.71 2kpw s THR 58 N -1.56 1.90 -1.12 -0.71 -1.32 -1.26 -4.28 115.64 107.29 2kpw s THR 58 Ca 0.42 -0.92 -0.20 0.00 -1.21 0.00 0.00 61.69 59.78 2kpw s THR 58 Cb -0.15 -1.65 -0.06 0.00 -1.51 0.00 0.00 72.50 69.13 2kpw s THR 58 CO 0.20 0.52 1.95 -1.20 -2.21 0.00 0.00 174.62 173.88 2kpw n SER 59 N 3.56 3.39 -0.66 8.08 7.64 -1.24 -4.53 113.62 129.86 2kpw n SER 59 Ca -0.20 -2.76 0.12 0.00 1.01 0.00 0.00 58.87 57.04 2kpw n SER 59 Cb 0.53 -1.51 0.14 0.00 -1.01 0.00 0.00 64.21 62.36 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 7.45 1.69 -3.78 1.43 1.85 -1.26 -4.90 116.66 119.14 2kpw n ARG 60 Ca 0.49 -1.33 -0.02 0.00 -1.00 0.00 0.00 57.85 55.98 2kpw n ARG 60 Cb 0.43 -1.47 -0.00 0.00 -1.05 0.00 0.00 32.46 30.36 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 -2.22 -0.05 -0.22 2.89 -0.85 -1.26 -5.11 117.35 110.52 2kpw s TYR 61 Ca 0.25 -0.25 -0.11 0.00 -0.52 0.00 0.00 57.07 56.44 2kpw s TYR 61 Cb 0.19 0.64 -0.05 0.00 0.38 0.00 0.00 41.96 43.13 2kpw s TYR 61 CO 0.43 -0.76 0.19 0.14 -1.52 0.00 0.00 175.55 174.03 2kpw s VAL 62 N -2.79 5.35 -0.17 -3.49 -7.23 -1.26 -2.50 120.40 108.31 2kpw s VAL 62 Ca 0.16 0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 60.31 2kpw s VAL 62 Cb -0.01 -3.53 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 2kpw s VAL 62 CO 0.02 0.35 1.31 -0.22 -0.31 0.00 0.00 175.10 176.26 2kpw s LEU 63 N 0.92 4.17 0.85 1.32 1.98 0.27 -4.81 118.68 123.38 2kpw s LEU 63 Ca 0.10 1.71 -0.11 0.00 -2.89 0.00 0.00 54.13 52.93 2kpw s LEU 63 Cb -0.13 -3.54 0.11 0.00 0.66 0.00 0.00 46.19 43.29 2kpw s LEU 63 CO 0.04 -0.81 1.15 -0.54 -1.89 0.00 0.00 176.35 174.30 2kpw s LYS 64 N 3.62 1.45 -0.17 1.98 1.02 -1.26 -1.14 119.74 125.24 2kpw s LYS 64 Ca 0.57 1.53 -0.31 0.00 0.02 0.00 0.00 55.97 57.78 2kpw s LYS 64 Cb -0.22 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 2kpw s LYS 64 CO 0.17 -2.31 2.10 0.00 -0.92 0.00 0.00 175.35 174.40 2kpw n ALA 65 N -3.80 1.43 -1.50 5.17 0.00 -1.25 -1.56 120.51 119.00 2kpw n ALA 65 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2kpw n ALA 65 Cb 0.52 -2.72 -0.05 0.00 0.00 0.00 0.00 19.45 17.20 2kpw n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpw n GLY 66 N 5.42 1.16 3.85 0.00 0.00 -1.07 -4.93 105.19 109.63 2kpw n GLY 66 Ca 0.29 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.31 4.01 0.11 1.61 2.00 -0.60 -4.70 119.66 118.77 2kpw s GLN 67 Ca 0.00 0.65 -0.12 0.00 -2.00 0.00 0.00 55.36 53.89 2kpw s GLN 67 Cb 0.00 -2.51 -0.06 0.00 0.80 0.00 0.00 33.01 31.23 2kpw s GLN 67 CO 0.00 0.21 0.47 0.95 -0.50 0.00 0.00 175.29 176.41 2kpw s THR 68 N -1.90 4.99 -0.07 -0.34 -4.23 -1.26 -0.98 115.64 111.84 2kpw s THR 68 Ca 0.52 0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 61.63 2kpw s THR 68 Cb -0.11 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.07 2kpw s THR 68 CO 0.18 0.26 -0.02 0.54 -0.54 0.00 0.00 174.62 175.04 2kpw s VAL 69 N -1.44 0.50 -0.13 2.29 0.11 0.15 -4.95 120.40 116.93 2kpw s VAL 69 Ca 0.35 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.36 2kpw s VAL 69 Cb -0.14 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2kpw s VAL 69 CO 0.19 0.27 0.08 -0.89 -3.33 0.00 0.00 175.10 171.41 2kpw s THR 70 N 1.69 4.95 -0.44 5.04 2.01 -1.26 -0.53 115.64 127.09 2kpw s THR 70 Ca 0.01 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 2kpw s THR 70 Cb -0.13 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.26 2kpw s THR 70 CO -0.04 0.57 0.51 -0.63 -0.69 0.00 0.00 174.62 174.34 2kpw s ILE 71 N -0.61 5.00 -0.11 1.82 -1.09 0.88 -0.60 121.20 126.49 2kpw s ILE 71 Ca 0.11 -0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.10 2kpw s ILE 71 Cb -0.12 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 2kpw s ILE 71 CO 0.02 -0.55 0.24 0.26 -1.23 0.00 0.00 174.94 173.69 2kpw s TRP 72 N 2.35 3.57 0.84 3.97 0.52 -0.06 -1.02 118.94 129.11 2kpw s TRP 72 Ca 0.14 0.64 -0.12 0.00 0.02 0.00 0.00 56.10 56.78 2kpw s TRP 72 Cb -0.17 -2.16 0.10 0.00 -1.15 0.00 0.00 33.47 30.09 2kpw s TRP 72 CO 0.14 0.53 1.16 0.00 0.02 0.00 0.00 176.95 178.80 2kpw s ALA 73 N -0.49 1.79 0.27 0.98 0.00 -1.08 -0.30 121.76 122.93 2kpw s ALA 73 Ca 0.17 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 2kpw s ALA 73 Cb -0.13 -3.43 0.61 0.00 0.00 0.00 0.00 23.12 20.16 2kpw s ALA 73 CO 0.06 -2.35 1.66 0.00 0.00 0.00 0.00 175.76 175.13 2kpw h ALA 74 N -1.27 1.15 -1.82 0.00 0.00 -0.25 -2.96 119.26 114.11 2kpw h ALA 74 Ca -0.45 0.20 -0.78 0.00 0.00 0.00 0.00 54.91 53.88 2kpw h ALA 74 Cb 1.27 0.28 -0.23 0.00 0.00 0.00 0.00 17.79 19.10 2kpw h ALA 74 CO 0.45 -0.40 1.07 0.09 0.00 0.00 0.00 179.25 180.47 2kpw n ASN 75 N -5.19 5.69 0.00 0.00 4.13 -1.26 -4.53 115.26 114.09 2kpw n ASN 75 Ca 0.18 -3.17 0.00 0.00 1.68 0.00 0.00 54.58 53.27 2kpw n ASN 75 Cb 0.59 -1.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.43 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kpw n ALA 76 N 3.00 1.95 -1.32 5.41 0.00 -1.12 -4.39 120.51 124.04 2kpw n ALA 76 Ca 0.30 -0.56 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 2kpw n ALA 76 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.13 1.17 3.97 0.00 0.00 -1.26 -4.99 105.19 103.94 2kpw n GLY 77 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.22 2.48 0.66 1.61 -7.23 -1.26 -5.10 120.40 109.35 2kpw s VAL 78 Ca 0.00 -0.57 -0.09 0.00 -1.81 0.00 0.00 61.98 59.51 2kpw s VAL 78 Cb 0.00 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 34.04 2kpw s VAL 78 CO 0.00 0.00 1.03 0.42 -0.31 0.00 0.00 175.10 176.24 2kpw s THR 79 N -2.94 3.60 -1.02 5.32 -4.23 -1.26 -4.98 115.64 110.14 2kpw s THR 79 Ca 0.60 0.33 -0.23 0.00 -1.18 0.00 0.00 61.69 61.21 2kpw s THR 79 Cb -0.09 -3.49 0.05 0.00 1.34 0.00 0.00 72.50 70.30 2kpw s THR 79 CO 0.41 -0.59 1.48 0.00 -0.54 0.00 0.00 174.62 175.37 2kpw s ALA 80 N -3.22 2.67 -0.41 3.99 0.00 -1.26 -4.41 121.76 119.12 2kpw s ALA 80 Ca 0.56 -2.23 -0.14 0.00 0.00 0.00 0.00 51.96 50.15 2kpw s ALA 80 Cb -0.11 -4.53 0.02 0.00 0.00 0.00 0.00 23.12 18.50 2kpw s ALA 80 CO 0.49 -3.67 0.52 0.45 0.00 0.00 0.00 175.76 173.55 2kpw n SER 81 N 9.12 -7.96 -0.24 0.00 2.88 -1.26 -4.91 113.62 111.24 2kpw n SER 81 Ca 0.33 0.66 -0.01 0.00 -1.33 0.00 0.00 58.87 58.52 2kpw n SER 81 Cb 0.51 -5.37 0.06 0.00 -0.75 0.00 0.00 64.21 58.65 2kpw n SER 81 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2kpw h PRO 82 N 2.15 -0.05 -5.90 -1.46 0.11 -1.79 -3.46 132.00 121.60 2kpw h PRO 82 Ca -0.00 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.49 2kpw h PRO 82 Cb 0.87 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 2kpw h PRO 82 CO 0.19 -0.03 -0.50 -1.25 -0.21 0.00 0.00 178.00 176.19 2kpw s PRO 83 N -6.15 3.43 0.00 1.05 0.04 -1.26 -5.12 135.00 126.99 2kpw s PRO 83 Ca -0.14 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.47 2kpw s PRO 83 Cb 0.20 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2kpw s PRO 83 CO 0.73 0.62 0.00 -2.37 0.04 0.00 0.00 177.00 176.02 2kpw n THR 84 N 0.40 0.00 -4.38 1.26 5.66 -1.26 -5.12 114.28 110.84 2kpw n THR 84 Ca -0.06 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.71 2kpw n THR 84 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 2kpw n THR 84 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2kpw s ASP 85 N -0.90 3.01 -0.07 1.09 1.01 -1.26 -4.28 116.67 115.27 2kpw s ASP 85 Ca 0.00 -0.92 -0.02 0.00 0.71 0.00 0.00 52.55 52.31 2kpw s ASP 85 Cb 0.00 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 2kpw s ASP 85 CO 0.00 -0.01 0.05 -0.76 0.21 0.00 0.00 175.17 174.66 2kpw s LEU 86 N -2.95 3.84 -0.25 1.23 1.43 0.24 -4.48 118.68 117.74 2kpw s LEU 86 Ca 0.21 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 2kpw s LEU 86 Cb -0.05 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2kpw s LEU 86 CO 0.09 0.35 0.39 -0.63 0.23 0.00 0.00 176.35 176.78 2kpw s ILE 87 N -1.01 5.18 -1.10 -0.59 1.09 -1.26 -0.88 121.20 122.63 2kpw s ILE 87 Ca 0.16 0.63 -0.16 0.00 -1.10 0.00 0.00 60.65 60.18 2kpw s ILE 87 Cb -0.12 -3.71 0.16 0.00 -1.06 0.00 0.00 42.46 37.73 2kpw s ILE 87 CO 0.06 0.19 1.31 0.86 -0.10 0.00 0.00 174.94 177.26 2kpw s TRP 88 N 1.82 3.36 -0.45 3.97 -0.11 0.59 -4.83 118.94 123.29 2kpw s TRP 88 Ca 0.16 -1.85 0.26 0.00 1.22 0.00 0.00 56.10 55.89 2kpw s TRP 88 Cb -0.15 -4.30 0.91 0.00 -1.50 0.00 0.00 33.47 28.42 2kpw s TRP 88 CO 0.09 -1.43 1.77 0.87 -4.62 0.00 0.00 176.95 173.63 2kpw h LYS 89 N 7.80 0.00 0.00 5.86 1.57 -1.91 -0.70 116.57 129.18 2kpw h LYS 89 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2kpw h LYS 89 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2kpw h LYS 89 CO 1.19 0.00 0.00 -0.91 -0.57 0.00 0.00 179.45 179.16 2kpw h ASN 90 N 0.00 0.00 -3.79 0.86 4.21 -1.90 -3.43 115.58 111.52 2kpw h ASN 90 Ca 0.00 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.36 2kpw h ASN 90 Cb 0.60 0.00 -0.25 0.00 -1.12 0.00 0.00 38.32 37.55 2kpw h ASN 90 CO 0.00 0.00 -0.36 -1.58 -1.29 0.00 0.00 177.43 174.20 2kpw s GLN 91 N -3.51 0.36 0.85 0.81 0.74 -1.17 -5.01 119.66 112.72 2kpw s GLN 91 Ca 0.01 0.45 -0.14 0.00 0.05 0.00 0.00 55.36 55.73 2kpw s GLN 91 Cb 0.09 0.15 0.21 0.00 1.10 0.00 0.00 33.01 34.55 2kpw s GLN 91 CO 0.35 -0.06 0.85 0.09 -0.55 0.00 0.00 175.29 175.98 2kpw n ASN 92 N 3.04 -1.27 -4.77 6.67 4.13 -1.26 -1.73 115.26 120.07 2kpw n ASN 92 Ca -0.14 -1.09 -0.38 0.00 1.68 0.00 0.00 54.58 54.65 2kpw n ASN 92 Cb 0.57 -0.74 -0.05 0.00 -1.54 0.00 0.00 39.78 38.02 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 -3.92 7.25 0.19 6.41 0.15 -1.26 -4.47 113.70 118.05 2kpw s SER 93 Ca 0.53 2.00 0.08 0.00 0.70 0.00 0.00 55.95 59.26 2kpw s SER 93 Cb -0.04 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 2kpw s SER 93 CO 0.40 -0.13 -0.16 -1.66 1.20 0.00 0.00 173.24 172.88 2kpw s TRP 94 N -1.44 1.76 -0.25 3.44 -2.14 -1.25 -4.99 118.94 114.08 2kpw s TRP 94 Ca 0.49 -0.52 -0.26 0.00 2.66 0.00 0.00 56.10 58.47 2kpw s TRP 94 Cb -0.24 -0.84 0.10 0.00 -3.10 0.00 0.00 33.47 29.39 2kpw s TRP 94 CO 0.30 0.35 0.90 0.20 -2.66 0.00 0.00 176.95 176.04 2kpw s GLY 95 N -3.01 -0.32 0.00 3.67 0.00 -1.26 -4.02 107.32 102.39 2kpw s GLY 95 Ca 0.19 2.30 0.00 0.00 0.00 0.00 0.00 44.72 47.22 2kpw s GLY 95 CO 0.07 1.66 0.00 -0.37 0.00 0.00 0.00 173.10 174.46 2kpw n THR 96 N 2.12 0.00 -1.27 0.90 5.66 -1.14 -5.01 114.28 115.53 2kpw n THR 96 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 2kpw n THR 96 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 2kpw n THR 96 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kpw n GLY 97 N 0.00 0.97 3.89 1.09 0.00 -1.25 -5.08 105.19 104.80 2kpw n GLY 97 Ca 0.00 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.90 3.52 -0.57 1.61 0.41 -1.26 -5.03 118.70 114.48 2kpw s GLU 98 Ca 0.00 -0.14 -0.26 0.00 -0.41 0.00 0.00 54.97 54.16 2kpw s GLU 98 Cb 0.00 -3.11 -0.05 0.00 -1.78 0.00 0.00 34.13 29.19 2kpw s GLU 98 CO 0.00 0.68 2.16 -0.51 -0.49 0.00 0.00 175.26 177.11 2kpw s ASP 99 N -1.63 4.78 -0.12 -0.19 1.01 -1.26 -4.95 116.67 114.30 2kpw s ASP 99 Ca 0.25 0.67 -0.23 0.00 0.71 0.00 0.00 52.55 53.96 2kpw s ASP 99 Cb -0.13 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2kpw s ASP 99 CO 0.15 -2.71 0.68 0.54 0.21 0.00 0.00 175.17 174.04 2kpw s VAL 100 N 10.94 5.02 -0.26 -1.27 0.11 -1.26 -4.82 120.40 128.86 2kpw s VAL 100 Ca 0.84 1.36 -0.09 0.00 -2.93 0.00 0.00 61.98 61.17 2kpw s VAL 100 Cb -0.15 -4.01 -0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2kpw s VAL 100 CO 0.22 0.18 0.11 -0.75 -3.33 0.00 0.00 175.10 171.53 2kpw s LYS 101 N 1.32 3.70 0.05 1.54 2.20 0.56 -2.45 119.74 126.65 2kpw s LYS 101 Ca 0.34 -0.46 0.03 0.00 -0.36 0.00 0.00 55.97 55.53 2kpw s LYS 101 Cb -0.17 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2kpw s LYS 101 CO 0.14 -0.21 -0.01 0.08 -0.36 0.00 0.00 175.35 174.99 2kpw s VAL 102 N 1.65 4.02 -0.14 4.02 1.01 0.29 -0.37 120.40 130.88 2kpw s VAL 102 Ca 0.06 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2kpw s VAL 102 Cb -0.16 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 2kpw s VAL 102 CO 0.06 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.60 2kpw s ILE 103 N -1.19 2.57 -0.36 2.22 -1.09 0.92 -1.36 121.20 122.90 2kpw s ILE 103 Ca 0.22 -0.81 -0.05 0.00 -2.23 0.00 0.00 60.65 57.78 2kpw s ILE 103 Cb -0.12 -2.06 0.07 0.00 -1.58 0.00 0.00 42.46 38.76 2kpw s ILE 103 CO 0.14 0.53 0.14 -0.76 -1.23 0.00 0.00 174.94 173.76 2kpw s LEU 104 N 0.70 4.63 -0.01 2.97 1.43 -1.06 -0.81 118.68 126.53 2kpw s LEU 104 Ca -0.08 -1.43 0.08 0.00 -1.03 0.00 0.00 54.13 51.67 2kpw s LEU 104 Cb -0.16 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2kpw s LEU 104 CO 0.01 -0.41 -0.25 -0.54 0.23 0.00 0.00 176.35 175.39 2kpw s LYS 105 N 1.33 2.00 0.98 1.70 1.02 -1.11 -2.36 119.74 123.29 2kpw s LYS 105 Ca 0.01 -0.94 -0.16 0.00 0.02 0.00 0.00 55.97 54.90 2kpw s LYS 105 Cb -0.21 -1.98 0.22 0.00 -0.52 0.00 0.00 37.83 35.34 2kpw s LYS 105 CO 0.00 0.54 1.33 -0.80 -0.92 0.00 0.00 175.35 175.50 2kpw s ASN 106 N -0.71 2.91 0.15 2.83 -0.87 0.68 -1.69 114.94 118.24 2kpw s ASN 106 Ca 0.10 0.12 -0.17 0.00 -1.57 0.00 0.00 52.86 51.34 2kpw s ASN 106 Cb -0.10 -0.09 0.06 0.00 -0.02 0.00 0.00 41.25 41.10 2kpw s ASN 106 CO -0.00 -2.85 1.70 0.77 -2.57 0.00 0.00 177.10 174.15 2kpw h SER 107 N -1.69 -0.17 0.23 -1.22 4.64 -1.85 -0.63 113.55 112.85 2kpw h SER 107 Ca -0.43 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2kpw h SER 107 Cb 1.22 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2kpw h SER 107 CO 0.32 -0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 2kpw n GLN 108 N -5.19 0.30 0.00 4.77 6.02 -1.26 -4.85 117.38 117.17 2kpw n GLN 108 Ca 0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2kpw n GLN 108 Cb 0.18 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 0.07 2.45 3.77 1.08 0.00 -0.24 -5.06 105.19 107.25 2kpw n GLY 109 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 3.91 -0.18 1.61 -1.05 -1.26 -4.60 118.70 116.27 2kpw s GLU 110 Ca 0.00 1.99 -0.08 0.00 -0.15 0.00 0.00 54.97 56.73 2kpw s GLU 110 Cb 0.00 -2.64 -0.04 0.00 -0.44 0.00 0.00 34.13 31.00 2kpw s GLU 110 CO 0.00 -0.48 0.07 -2.00 0.95 0.00 0.00 175.26 173.80 2kpw s GLU 111 N -2.37 3.98 -0.03 -4.83 2.12 -1.26 -0.23 118.70 116.08 2kpw s GLU 111 Ca 0.59 -0.32 -0.22 0.00 0.36 0.00 0.00 54.97 55.38 2kpw s GLU 111 Cb -0.34 -3.24 -0.25 0.00 0.26 0.00 0.00 34.13 30.56 2kpw s GLU 111 CO 0.43 0.30 1.02 -0.39 -0.54 0.00 0.00 175.26 176.09 2kpw h VAL 112 N 4.79 1.50 -1.17 3.70 -1.51 -1.84 -3.48 116.25 118.24 2kpw h VAL 112 Ca -0.38 -2.12 0.18 0.00 -1.23 0.00 0.00 66.70 63.15 2kpw h VAL 112 Cb 1.17 2.80 -0.32 0.00 -2.13 0.00 0.00 31.29 32.80 2kpw h VAL 112 CO 0.71 0.60 0.72 0.00 -1.23 0.00 0.00 177.57 178.37 2kpw s ALA 113 N -3.00 -2.44 -0.06 5.19 0.00 -1.23 -5.09 121.76 115.13 2kpw s ALA 113 Ca -0.14 1.91 -0.02 0.00 0.00 0.00 0.00 51.96 53.71 2kpw s ALA 113 Cb 0.02 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2kpw s ALA 113 CO 0.79 -0.25 0.04 1.14 0.00 0.00 0.00 175.76 177.48 2kpw s GLN 114 N 0.72 3.05 -0.09 0.00 -2.07 -1.26 -2.58 119.66 117.44 2kpw s GLN 114 Ca -0.03 -0.41 -0.23 0.00 -1.82 0.00 0.00 55.36 52.88 2kpw s GLN 114 Cb -0.03 -2.86 0.05 0.00 -1.09 0.00 0.00 33.01 29.08 2kpw s GLN 114 CO -0.12 0.69 0.54 0.50 -1.32 0.00 0.00 175.29 175.58 2kpw s ARG 115 N -1.20 0.82 0.41 9.60 3.52 -0.46 -5.02 118.95 126.63 2kpw s ARG 115 Ca 0.17 0.29 0.08 0.00 -0.13 0.00 0.00 55.73 56.13 2kpw s ARG 115 Cb -0.12 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 2kpw s ARG 115 CO 0.06 -0.21 0.30 -1.54 -0.81 0.00 0.00 175.30 173.11 2kpw s SER 116 N -0.77 4.81 0.85 -2.12 1.04 -1.26 -0.55 113.70 115.70 2kpw s SER 116 Ca -0.08 -0.87 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 2kpw s SER 116 Cb -0.03 -0.54 0.10 0.00 0.10 0.00 0.00 66.02 65.66 2kpw s SER 116 CO 0.05 -0.61 1.09 0.42 0.98 0.00 0.00 173.24 175.18 2kpw s THR 117 N -2.52 2.84 -0.16 2.02 -4.23 -1.03 -4.96 115.64 107.60 2kpw s THR 117 Ca 0.45 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 2kpw s THR 117 Cb -0.00 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 71.05 2kpw s THR 117 CO 0.26 -0.36 0.27 0.54 -0.54 0.00 0.00 174.62 174.79 2kpw s VAL 118 N -3.03 -0.42 -0.36 2.29 0.11 -1.26 -4.92 120.40 112.81 2kpw s VAL 118 Ca 0.62 0.17 -0.27 0.00 -2.93 0.00 0.00 61.98 59.57 2kpw s VAL 118 Cb -0.16 -0.53 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2kpw s VAL 118 CO 0.56 0.03 1.00 -0.36 -3.33 0.00 0.00 175.10 173.00 2kpw s PHE 119 N 2.42 3.08 -0.52 1.54 0.08 -1.26 -5.00 117.98 118.31 2kpw s PHE 119 Ca 0.03 0.92 -0.28 0.00 0.12 0.00 0.00 56.93 57.72 2kpw s PHE 119 Cb -0.13 -3.75 0.03 0.00 -0.57 0.00 0.00 43.02 38.60 2kpw s PHE 119 CO -0.10 -0.85 1.15 0.15 -0.10 0.00 0.00 175.22 175.46 2kpw s LYS 120 N 3.64 3.62 -0.53 0.44 1.02 -1.26 -4.99 119.74 121.68 2kpw s LYS 120 Ca 0.42 0.39 -0.28 0.00 0.02 0.00 0.00 55.97 56.52 2kpw s LYS 120 Cb -0.11 -3.96 0.02 0.00 -0.52 0.00 0.00 37.83 33.25 2kpw s LYS 120 CO 0.19 -1.50 1.37 0.95 -0.92 0.00 0.00 175.35 175.43 2kpw s THR 121 N 4.62 3.86 0.00 2.17 -4.23 -1.26 -5.25 115.64 115.55 2kpw s THR 121 Ca 0.45 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.74 2kpw s THR 121 Cb -0.07 -4.44 0.00 0.00 1.34 0.00 0.00 72.50 69.33 2kpw s THR 121 CO 0.29 -1.10 0.09 1.07 -0.54 0.00 0.00 174.62 174.43