#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 -2.36 1.18 3.03 0.00 -1.26 -4.28 105.19 101.50 2kpw n GLY 2 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.43 0.98 -0.98 1.61 8.25 -1.26 -4.77 115.22 118.62 2kpw n HIS 3 Ca 0.00 -0.45 -0.36 0.00 -0.26 0.00 0.00 57.72 56.66 2kpw n HIS 3 Cb 0.00 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 2kpw n HIS 3 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpw n HIS 4 N 0.19 1.63 -3.93 4.41 -0.00 -1.26 -4.84 115.22 111.41 2kpw n HIS 4 Ca 0.14 -1.80 -0.34 0.00 -0.00 0.00 0.00 57.72 55.73 2kpw n HIS 4 Cb 0.72 -1.65 -0.14 0.00 -0.00 0.00 0.00 29.99 28.92 2kpw n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 5 N 4.53 3.50 0.15 1.57 0.09 -1.26 -5.07 115.29 118.80 2kpw s HIS 5 Ca 0.50 -2.44 0.00 0.00 -0.00 0.00 0.00 55.06 53.13 2kpw s HIS 5 Cb 0.13 -2.62 -0.00 0.00 -0.00 0.00 0.00 32.58 30.08 2kpw s HIS 5 CO 0.07 -0.91 0.19 0.72 -0.00 0.00 0.00 174.74 174.81 2kpw n HIS 6 N 4.47 -0.73 -2.66 1.40 -0.00 -1.26 -5.14 115.22 111.31 2kpw n HIS 6 Ca -0.05 -1.08 -0.43 0.00 -0.00 0.00 0.00 57.72 56.16 2kpw n HIS 6 Cb 0.42 0.21 -0.02 0.00 -0.00 0.00 0.00 29.99 30.60 2kpw n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kpw s HIS 7 N -3.67 3.42 0.64 4.41 0.09 -1.26 -5.05 115.29 113.88 2kpw s HIS 7 Ca 0.14 1.51 -0.06 0.00 -0.00 0.00 0.00 55.06 56.65 2kpw s HIS 7 Cb -0.00 -3.24 0.03 0.00 -0.00 0.00 0.00 32.58 29.37 2kpw s HIS 7 CO 0.10 -0.42 0.96 -1.01 -0.00 0.00 0.00 174.74 174.37 2kpw s HIS 8 N 2.44 3.10 -0.02 1.40 4.02 -1.26 -5.10 115.29 119.86 2kpw s HIS 8 Ca 0.48 0.56 0.06 0.00 1.02 0.00 0.00 55.06 57.17 2kpw s HIS 8 Cb -0.18 -2.95 -0.01 0.00 -1.02 0.00 0.00 32.58 28.42 2kpw s HIS 8 CO 0.14 -1.10 -0.20 -1.12 1.02 0.00 0.00 174.74 173.49 2kpw s SER 9 N -4.40 2.35 -0.33 1.40 0.01 -1.26 -5.12 113.70 106.35 2kpw s SER 9 Ca 0.57 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 57.26 2kpw s SER 9 Cb -0.11 -0.38 -0.00 0.00 0.21 0.00 0.00 66.02 65.74 2kpw s SER 9 CO 0.45 0.22 0.63 -1.00 0.41 0.00 0.00 173.24 173.96 2kpw s HIS 10 N -0.33 3.19 0.00 2.43 0.09 -1.26 -5.06 115.29 114.35 2kpw s HIS 10 Ca 0.04 0.49 0.07 0.00 -0.00 0.00 0.00 55.06 55.66 2kpw s HIS 10 Cb -0.09 -3.05 -0.02 0.00 -0.00 0.00 0.00 32.58 29.42 2kpw s HIS 10 CO 0.00 -0.54 -0.22 -1.64 -0.00 0.00 0.00 174.74 172.35 2kpw s MET 11 N 2.65 1.66 -0.14 1.40 1.00 -1.26 -5.06 119.30 119.56 2kpw s MET 11 Ca 0.25 -0.84 -0.22 0.00 0.00 0.00 0.00 55.69 54.87 2kpw s MET 11 Cb -0.15 -1.67 -0.20 0.00 0.00 0.00 0.00 34.83 32.82 2kpw s MET 11 CO 0.13 0.45 0.53 1.79 0.00 0.00 0.00 175.02 177.92 2kpw h THR 12 N 4.51 1.30 -0.14 2.05 1.35 -1.98 -3.51 112.91 116.49 2kpw h THR 12 Ca -0.41 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 2kpw h THR 12 Cb 1.14 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 2kpw h THR 12 CO 0.46 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 2kpw n GLY 13 N 1.62 0.09 3.44 5.82 0.00 -1.26 -5.01 105.19 109.89 2kpw n GLY 13 Ca -0.11 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 2kpw n GLY 13 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kpw s ASN 14 N 0.00 6.31 0.04 1.61 -0.87 -1.26 -5.00 114.94 115.78 2kpw s ASN 14 Ca 0.00 -1.39 0.02 0.00 -1.57 0.00 0.00 52.86 49.92 2kpw s ASN 14 Cb 0.00 -2.39 -0.02 0.00 -0.02 0.00 0.00 41.25 38.81 2kpw s ASN 14 CO 0.00 -1.27 -0.08 0.54 -2.57 0.00 0.00 177.10 173.72 2kpw s VAL 15 N 3.41 0.56 0.02 1.60 0.11 -1.26 -2.37 120.40 122.48 2kpw s VAL 15 Ca 0.24 -1.07 0.02 0.00 -2.93 0.00 0.00 61.98 58.24 2kpw s VAL 15 Cb -0.14 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 2kpw s VAL 15 CO 0.03 -0.36 -0.08 0.00 -3.33 0.00 0.00 175.10 171.36 2kpw s ILE 17 N -0.82 3.52 0.06 0.00 1.01 -1.26 -1.36 121.20 122.35 2kpw s ILE 17 Ca -0.04 -0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.31 2kpw s ILE 17 Cb -0.07 -4.30 -0.17 0.00 0.01 0.00 0.00 42.46 37.94 2kpw s ILE 17 CO 0.00 -1.24 1.59 -0.08 0.00 0.00 0.00 174.94 175.22 2kpw h GLU 18 N 12.35 -0.39 -2.19 2.79 4.81 -1.55 -3.46 114.58 126.94 2kpw h GLU 18 Ca -0.11 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2kpw h GLU 18 Cb 1.08 0.09 -0.20 0.00 0.63 0.00 0.00 28.75 30.35 2kpw h GLU 18 CO 1.26 -0.21 0.08 -2.00 -0.73 0.00 0.00 179.01 177.41 2kpw s GLU 19 N -5.80 0.91 -0.19 1.92 2.56 -0.45 -5.04 118.70 112.60 2kpw s GLU 19 Ca -0.15 0.42 -0.02 0.00 0.00 0.00 0.00 54.97 55.22 2kpw s GLU 19 Cb 0.04 0.43 -0.00 0.00 2.00 0.00 0.00 34.13 36.60 2kpw s GLU 19 CO 0.63 -0.23 -0.10 0.42 -0.56 0.00 0.00 175.26 175.41 2kpw s ILE 20 N -0.69 2.95 0.19 -3.70 1.01 -1.26 -0.42 121.20 119.28 2kpw s ILE 20 Ca -0.08 -0.65 -0.33 0.00 0.00 0.00 0.00 60.65 59.60 2kpw s ILE 20 Cb -0.02 -2.30 -0.14 0.00 0.01 0.00 0.00 42.46 40.01 2kpw s ILE 20 CO 0.06 0.48 1.37 -0.67 0.00 0.00 0.00 174.94 176.18 2kpw n ASP 21 N 4.46 2.34 0.23 3.58 2.03 -0.68 -4.88 116.55 123.64 2kpw n ASP 21 Ca -0.19 1.13 0.12 0.00 0.52 0.00 0.00 54.79 56.37 2kpw n ASP 21 Cb 0.51 -1.35 0.44 0.00 -0.72 0.00 0.00 41.12 40.00 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 3.08 0.26 0.00 5.18 3.04 -1.94 -2.94 116.25 122.94 2kpw h VAL 22 Ca -0.45 -0.97 -0.11 0.00 -1.01 0.00 0.00 66.70 64.16 2kpw h VAL 22 Cb 1.29 1.78 -0.02 0.00 -2.01 0.00 0.00 31.29 32.34 2kpw h VAL 22 CO 0.77 0.12 -1.08 -0.78 -1.01 0.00 0.00 177.57 175.58 2kpw h ASP 23 N 0.00 0.00 0.00 3.17 3.58 -1.90 -3.42 116.42 117.85 2kpw h ASP 23 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kpw h ASP 23 Cb 0.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2kpw h ASP 23 CO 0.02 0.41 0.00 0.61 -2.88 0.00 0.00 179.24 177.39 2kpw n GLY 24 N 1.30 1.54 0.08 -0.78 0.00 -1.11 -4.12 105.19 102.11 2kpw n GLY 24 Ca -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2kpw n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpw n LYS 25 N -1.40 0.65 -3.82 1.61 5.02 -1.26 -2.67 118.16 116.29 2kpw n LYS 25 Ca 0.00 0.11 -0.06 0.00 -2.02 0.00 0.00 58.31 56.34 2kpw n LYS 25 Cb 0.02 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 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 -2.72 -0.03 0.08 2.13 -0.71 -1.26 -3.17 117.98 112.31 2kpw s PHE 26 Ca -0.07 -0.44 0.07 0.00 -1.04 0.00 0.00 56.93 55.45 2kpw s PHE 26 Cb 0.08 0.73 -0.03 0.00 -1.21 0.00 0.00 43.02 42.58 2kpw s PHE 26 CO 0.83 -1.16 -0.18 0.42 -1.34 0.00 0.00 175.22 173.80 2kpw s ILE 27 N -2.91 1.41 -0.14 -4.49 1.01 0.02 -1.69 121.20 114.41 2kpw s ILE 27 Ca 0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 60.65 59.39 2kpw s ILE 27 Cb -0.04 -1.31 0.04 0.00 0.01 0.00 0.00 42.46 41.16 2kpw s ILE 27 CO 0.07 -0.12 -0.04 -0.60 0.00 0.00 0.00 174.94 174.24 2kpw s ARG 28 N -1.77 1.24 0.16 2.79 3.52 0.44 0.79 118.95 126.12 2kpw s ARG 28 Ca 0.02 -0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.33 2kpw s ARG 28 Cb -0.10 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.47 2kpw s ARG 28 CO 0.03 -0.40 0.04 -0.51 -0.81 0.00 0.00 175.30 173.65 2kpw s LEU 29 N 1.73 3.47 -0.12 -0.88 1.02 -0.01 -1.34 118.68 122.55 2kpw s LEU 29 Ca 0.02 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.89 2kpw s LEU 29 Cb -0.14 -2.12 0.02 0.00 0.02 0.00 0.00 46.19 43.96 2kpw s LEU 29 CO -0.07 0.09 -0.16 -0.75 0.02 0.00 0.00 176.35 175.48 2kpw s LYS 30 N -2.92 2.37 -0.75 1.70 2.20 -0.47 -0.33 119.74 121.53 2kpw s LYS 30 Ca 0.28 -0.61 -0.26 0.00 -0.36 0.00 0.00 55.97 55.02 2kpw s LYS 30 Cb -0.10 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 2kpw s LYS 30 CO 0.20 -0.09 1.61 1.21 -0.36 0.00 0.00 175.35 177.92 2kpw s ASN 31 N 1.06 5.74 0.00 1.43 2.47 -0.07 -2.54 114.94 123.03 2kpw s ASN 31 Ca -0.04 -0.33 0.31 0.00 0.42 0.00 0.00 52.86 53.22 2kpw s ASN 31 Cb -0.15 -2.55 1.73 0.00 -1.45 0.00 0.00 41.25 38.83 2kpw s ASN 31 CO -0.03 -2.12 2.13 1.07 -3.72 0.00 0.00 177.10 174.43 2kpw n THR 32 N 6.96 0.01 -2.42 -5.21 5.66 -1.00 -1.50 114.28 116.79 2kpw n THR 32 Ca 0.19 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.76 2kpw n THR 32 Cb 0.50 -0.51 -0.02 0.00 -1.55 0.00 0.00 70.33 68.75 2kpw n THR 32 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kpw s SER 33 N -2.21 6.83 -1.56 1.09 0.01 -1.01 -4.83 113.70 112.03 2kpw s SER 33 Ca 0.40 1.51 -0.10 0.00 1.31 0.00 0.00 55.95 59.07 2kpw s SER 33 Cb 0.21 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2kpw s SER 33 CO 0.40 -0.89 2.78 -0.62 0.41 0.00 0.00 173.24 175.32 2kpw n GLU 34 N 6.89 3.76 -3.54 12.44 1.02 -1.26 -3.59 120.64 136.36 2kpw n GLU 34 Ca 0.14 -2.47 -0.07 0.00 -0.02 0.00 0.00 57.16 54.75 2kpw n GLU 34 Cb 0.45 -2.83 -0.02 0.00 -0.02 0.00 0.00 31.44 29.03 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 1.72 0.62 -0.55 3.49 0.74 -1.26 -4.98 119.66 119.45 2kpw s GLN 35 Ca 0.65 -0.21 -0.27 0.00 0.05 0.00 0.00 55.36 55.58 2kpw s GLN 35 Cb 0.17 0.29 -0.03 0.00 1.10 0.00 0.00 33.01 34.54 2kpw s GLN 35 CO -0.07 -0.27 1.98 -0.51 -0.55 0.00 0.00 175.29 175.87 2kpw s ASP 36 N -2.28 5.17 -0.22 6.67 1.11 -1.26 -3.87 116.67 121.99 2kpw s ASP 36 Ca 0.06 0.64 -0.07 0.00 0.18 0.00 0.00 52.55 53.36 2kpw s ASP 36 Cb -0.01 -2.52 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 2kpw s ASP 36 CO -0.07 -2.40 0.07 -1.10 1.18 0.00 0.00 175.17 172.85 2kpw s GLN 37 N 7.12 3.78 0.20 8.23 -1.52 -0.47 -4.87 119.66 132.13 2kpw s GLN 37 Ca 0.76 -0.43 -0.30 0.00 -1.95 0.00 0.00 55.36 53.44 2kpw s GLN 37 Cb -0.15 -3.29 -0.08 0.00 -0.22 0.00 0.00 33.01 29.26 2kpw s GLN 37 CO 0.24 -0.02 1.24 -2.14 -0.25 0.00 0.00 175.29 174.36 2kpw s PRO 38 N 1.16 4.45 0.55 2.91 0.02 -1.26 -0.50 135.00 142.33 2kpw s PRO 38 Ca 0.04 1.96 0.36 0.00 0.02 0.00 0.00 61.00 63.38 2kpw s PRO 38 Cb -0.14 -3.21 1.73 0.00 0.02 0.00 0.00 34.50 32.89 2kpw s PRO 38 CO 0.03 -0.14 2.08 1.98 -0.33 0.00 0.00 177.00 180.62 2kpw h MET 39 N 5.13 0.00 0.00 5.54 4.05 -1.84 -3.47 114.93 124.33 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 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2kpw h MET 39 CO 0.75 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.30 2kpw n GLY 40 N -0.51 1.34 2.69 1.39 0.00 -1.26 -4.00 105.19 104.84 2kpw n GLY 40 Ca -0.01 0.25 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 -0.49 3.20 -0.02 0.00 -1.26 -2.90 105.19 103.72 2kpw n GLY 41 Ca 0.00 0.46 -0.24 0.00 0.00 0.00 0.00 46.02 46.23 2kpw n GLY 41 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kpw n TRP 42 N 0.43 -4.00 -3.66 1.61 7.02 -1.26 -4.22 117.44 113.37 2kpw n TRP 42 Ca -0.00 -0.97 -0.19 0.00 -1.02 0.00 0.00 57.50 55.32 2kpw n TRP 42 Cb 0.73 -0.85 -0.17 0.00 -2.42 0.00 0.00 31.31 28.60 2kpw n TRP 42 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2kpw s GLU 43 N -5.41 -0.02 -0.30 -0.99 2.12 -0.73 -0.42 118.70 112.95 2kpw s GLU 43 Ca 0.62 0.45 -0.14 0.00 0.36 0.00 0.00 54.97 56.26 2kpw s GLU 43 Cb -0.02 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.89 2kpw s GLU 43 CO 0.44 -0.34 0.31 1.41 -0.54 0.00 0.00 175.26 176.54 2kpw s MET 44 N 2.23 3.81 -0.16 4.30 -2.45 -0.24 -2.80 119.30 123.99 2kpw s MET 44 Ca 0.04 -0.26 -0.07 0.00 -1.25 0.00 0.00 55.69 54.15 2kpw s MET 44 Cb -0.12 -3.72 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 2kpw s MET 44 CO -0.05 -0.34 0.07 0.42 1.05 0.00 0.00 175.02 176.18 2kpw s ILE 45 N 1.94 4.90 -0.13 10.11 1.01 -0.35 -0.26 121.20 138.43 2kpw s ILE 45 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 60.65 60.76 2kpw s ILE 45 Cb -0.16 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2kpw s ILE 45 CO 0.11 0.50 -0.12 -0.60 0.00 0.00 0.00 174.94 174.83 2kpw s ARG 46 N -0.02 3.34 -0.07 2.79 3.52 0.11 -0.10 118.95 128.52 2kpw s ARG 46 Ca 0.07 -0.67 0.05 0.00 -0.13 0.00 0.00 55.73 55.05 2kpw s ARG 46 Cb -0.12 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.62 2kpw s ARG 46 CO 0.01 0.26 -0.24 0.15 -0.81 0.00 0.00 175.30 174.66 2kpw s LYS 47 N 0.25 2.66 0.00 5.12 1.02 -0.51 -3.18 119.74 125.10 2kpw s LYS 47 Ca -0.08 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2kpw s LYS 47 Cb -0.15 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2kpw s LYS 47 CO 0.05 0.30 0.00 1.51 -0.92 0.00 0.00 175.35 176.29 2kpw n ILE 48 N 3.17 0.00 -3.14 2.17 3.06 -1.26 -1.27 119.36 122.09 2kpw n ILE 48 Ca -0.18 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.09 2kpw n ILE 48 Cb 0.52 -0.01 -0.00 0.00 0.54 0.00 0.00 39.64 40.69 2kpw n ILE 48 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2kpw s GLY 49 N -1.35 -1.28 -1.96 4.50 0.00 -1.26 -4.97 107.32 101.01 2kpw s GLY 49 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.45 2kpw s GLY 49 CO 0.00 3.77 0.00 1.22 0.00 0.00 0.00 173.10 178.09 2kpw n ASP 50 N 4.71 -5.67 -3.80 1.64 9.92 -1.26 -4.95 116.55 117.13 2kpw n ASP 50 Ca 0.08 0.23 -0.12 0.00 -0.53 0.00 0.00 54.79 54.45 2kpw n ASP 50 Cb 0.57 -4.85 -0.11 0.00 -0.64 0.00 0.00 41.12 36.09 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 -2.90 0.03 -0.22 -3.53 -1.32 -1.26 -5.03 115.64 101.41 2kpw s THR 51 Ca 0.00 -0.27 0.11 0.00 -1.21 0.00 0.00 61.69 60.32 2kpw s THR 51 Cb 0.00 -0.43 0.43 0.00 -1.51 0.00 0.00 72.50 71.00 2kpw s THR 51 CO 0.00 -0.15 1.21 -1.54 -2.21 0.00 0.00 174.62 171.93 2kpw n SER 52 N 2.23 2.45 -4.67 8.08 3.41 -1.25 -4.08 113.62 119.79 2kpw n SER 52 Ca -0.17 -3.70 -0.59 0.00 -0.26 0.00 0.00 58.87 54.15 2kpw n SER 52 Cb 0.57 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 63.98 2kpw n SER 52 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2kpw n VAL 53 N -0.90 0.13 -4.46 -3.33 3.14 -1.19 -4.31 118.33 107.41 2kpw n VAL 53 Ca 0.24 -0.02 -0.25 0.00 -2.96 0.00 0.00 64.34 61.35 2kpw n VAL 53 Cb 0.79 -0.82 -0.10 0.00 -1.06 0.00 0.00 33.84 32.66 2kpw n VAL 53 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2kpw s SER 54 N 2.30 3.87 -0.16 6.55 1.04 -1.26 -0.71 113.70 125.32 2kpw s SER 54 Ca 0.96 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 2kpw s SER 54 Cb -1.17 -0.41 0.06 0.00 0.10 0.00 0.00 66.02 64.60 2kpw s SER 54 CO 0.64 -0.16 0.06 -0.47 0.98 0.00 0.00 173.24 174.29 2kpw s TYR 55 N -2.56 0.55 -0.21 5.02 5.04 0.64 -4.94 117.35 120.90 2kpw s TYR 55 Ca 0.33 -0.48 -0.29 0.00 -2.44 0.00 0.00 57.07 54.18 2kpw s TYR 55 Cb 0.00 -0.82 -0.02 0.00 0.35 0.00 0.00 41.96 41.47 2kpw s TYR 55 CO 0.17 -0.52 1.45 0.21 -1.34 0.00 0.00 175.55 175.53 2kpw s LYS 56 N 2.02 3.98 0.80 4.97 2.20 -1.26 -1.08 119.74 131.36 2kpw s LYS 56 Ca 0.01 1.62 -0.11 0.00 -0.36 0.00 0.00 55.97 57.13 2kpw s LYS 56 Cb -0.16 -3.92 0.07 0.00 -1.51 0.00 0.00 37.83 32.31 2kpw s LYS 56 CO -0.08 -1.05 1.09 0.71 -0.36 0.00 0.00 175.35 175.66 2kpw s TYR 57 N 4.42 2.67 -0.04 4.03 2.02 0.44 -4.96 117.35 125.93 2kpw s TYR 57 Ca 0.64 1.34 0.03 0.00 -0.37 0.00 0.00 57.07 58.71 2kpw s TYR 57 Cb -0.23 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.27 2kpw s TYR 57 CO 0.24 -1.85 -0.13 -0.08 -1.57 0.00 0.00 175.55 172.16 2kpw s THR 58 N -3.00 1.15 -0.18 -0.71 -1.32 -1.26 -4.31 115.64 106.00 2kpw s THR 58 Ca 0.61 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 2kpw s THR 58 Cb -0.16 -1.01 0.18 0.00 -1.51 0.00 0.00 72.50 70.00 2kpw s THR 58 CO 0.56 0.34 1.63 -0.24 -2.21 0.00 0.00 174.62 174.70 2kpw n SER 59 N 3.38 4.57 0.31 8.08 2.88 -1.14 -4.48 113.62 127.21 2kpw n SER 59 Ca -0.19 -2.67 0.19 0.00 -1.33 0.00 0.00 58.87 54.86 2kpw n SER 59 Cb 0.53 -0.83 1.03 0.00 -0.75 0.00 0.00 64.21 64.19 2kpw n SER 59 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2kpw h ARG 60 N 0.78 0.00 -3.67 -1.46 0.11 -1.96 -3.42 114.38 104.77 2kpw h ARG 60 Ca 0.20 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.13 2kpw h ARG 60 Cb 1.30 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.17 2kpw h ARG 60 CO 0.43 0.00 -0.56 1.52 0.10 0.00 0.00 179.97 181.46 2kpw s TYR 61 N -4.39 0.11 -0.36 4.08 1.13 -1.26 -5.13 117.35 111.53 2kpw s TYR 61 Ca -0.05 -0.26 -0.23 0.00 -1.41 0.00 0.00 57.07 55.12 2kpw s TYR 61 Cb 0.14 -0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 2kpw s TYR 61 CO 0.47 -0.25 0.77 0.08 -2.51 0.00 0.00 175.55 174.10 2kpw s VAL 62 N -1.39 4.75 0.24 -3.49 1.01 -1.26 -4.15 120.40 116.11 2kpw s VAL 62 Ca -0.15 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 2kpw s VAL 62 Cb -0.08 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 2kpw s VAL 62 CO 0.01 -0.42 1.32 -0.22 0.00 0.00 0.00 175.10 175.79 2kpw s LEU 63 N 3.05 4.42 0.73 3.92 2.96 0.35 -4.74 118.68 129.37 2kpw s LEU 63 Ca 0.30 2.50 -0.11 0.00 -0.22 0.00 0.00 54.13 56.61 2kpw s LEU 63 Cb -0.13 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 42.97 2kpw s LEU 63 CO 0.17 -0.53 1.07 -0.54 -1.32 0.00 0.00 176.35 175.20 2kpw s LYS 64 N -0.60 2.61 0.11 1.98 1.02 -1.26 -1.37 119.74 122.22 2kpw s LYS 64 Ca 0.55 1.03 -0.31 0.00 0.02 0.00 0.00 55.97 57.26 2kpw s LYS 64 Cb -0.38 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 34.91 2kpw s LYS 64 CO 0.42 -1.35 1.33 0.00 -0.92 0.00 0.00 175.35 174.83 2kpw s ALA 65 N -2.99 3.53 -1.08 5.17 0.00 -1.25 -2.97 121.76 122.16 2kpw s ALA 65 Ca 0.59 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2kpw s ALA 65 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2kpw s ALA 65 CO 0.55 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2kpw n GLY 66 N 3.32 1.15 3.75 0.00 0.00 -0.56 -4.94 105.19 107.91 2kpw n GLY 66 Ca 0.10 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.78 4.56 -0.43 1.61 2.00 -1.16 -4.77 119.66 118.69 2kpw s GLN 67 Ca 0.00 1.17 -0.18 0.00 -2.00 0.00 0.00 55.36 54.35 2kpw s GLN 67 Cb 0.00 -3.35 0.03 0.00 0.80 0.00 0.00 33.01 30.49 2kpw s GLN 67 CO 0.00 0.32 0.47 0.95 -0.50 0.00 0.00 175.29 176.53 2kpw s THR 68 N -0.24 5.05 -0.14 -0.34 -4.23 -1.26 -0.89 115.64 113.58 2kpw s THR 68 Ca 0.40 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.45 2kpw s THR 68 Cb -0.22 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.49 2kpw s THR 68 CO 0.25 -0.49 0.21 0.54 -0.54 0.00 0.00 174.62 174.60 2kpw s VAL 69 N 2.23 5.37 -0.35 2.29 0.11 0.55 -4.95 120.40 125.65 2kpw s VAL 69 Ca 0.13 0.37 -0.10 0.00 -2.93 0.00 0.00 61.98 59.46 2kpw s VAL 69 Cb -0.17 -3.53 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 2kpw s VAL 69 CO 0.14 0.49 0.17 -0.89 -3.33 0.00 0.00 175.10 171.68 2kpw s THR 70 N -0.14 4.44 -0.73 5.04 2.01 -1.26 -0.83 115.64 124.17 2kpw s THR 70 Ca 0.14 -0.79 -0.27 0.00 0.31 0.00 0.00 61.69 61.08 2kpw s THR 70 Cb -0.12 -3.42 0.03 0.00 0.01 0.00 0.00 72.50 68.99 2kpw s THR 70 CO 0.03 -0.14 1.26 -0.63 -0.69 0.00 0.00 174.62 174.45 2kpw s ILE 71 N 1.54 3.76 0.79 1.82 -1.09 0.24 -3.09 121.20 125.17 2kpw s ILE 71 Ca 0.02 0.40 -0.12 0.00 -2.23 0.00 0.00 60.65 58.73 2kpw s ILE 71 Cb -0.19 -4.90 0.07 0.00 -1.58 0.00 0.00 42.46 35.86 2kpw s ILE 71 CO 0.06 -1.82 1.12 0.26 -1.23 0.00 0.00 174.94 173.33 2kpw s TRP 72 N 5.64 2.95 0.55 3.97 0.52 0.12 -0.80 118.94 131.89 2kpw s TRP 72 Ca 0.35 0.99 0.08 0.00 0.02 0.00 0.00 56.10 57.53 2kpw s TRP 72 Cb -0.08 -3.23 0.06 0.00 -1.15 0.00 0.00 33.47 29.07 2kpw s TRP 72 CO 0.15 -1.70 0.60 0.00 0.02 0.00 0.00 176.95 176.02 2kpw s ALA 73 N -3.32 4.56 0.63 0.98 0.00 -1.19 0.01 121.76 123.43 2kpw s ALA 73 Ca 0.61 -1.73 0.31 0.00 0.00 0.00 0.00 51.96 51.15 2kpw s ALA 73 Cb -0.13 -1.12 1.71 0.00 0.00 0.00 0.00 23.12 23.59 2kpw s ALA 73 CO 0.52 -0.64 2.03 0.00 0.00 0.00 0.00 175.76 177.67 2kpw h ALA 74 N 0.47 1.59 -0.27 0.00 0.00 -0.44 0.77 119.26 121.38 2kpw h ALA 74 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kpw h ALA 74 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kpw h ALA 74 CO 0.49 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 179.48 2kpw n ASN 75 N -3.34 3.20 -0.08 0.00 4.13 -1.26 -4.43 115.26 113.48 2kpw n ASN 75 Ca 0.01 -2.43 0.07 0.00 1.68 0.00 0.00 54.58 53.92 2kpw n ASN 75 Cb 0.38 -0.58 0.43 0.00 -1.54 0.00 0.00 39.78 38.47 2kpw n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kpw h ALA 76 N 2.97 1.82 0.00 5.41 0.00 -1.17 -3.46 119.26 124.82 2kpw h ALA 76 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kpw h ALA 76 Cb 1.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2kpw h ALA 76 CO 0.23 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2kpw n GLY 77 N -1.48 1.28 3.62 0.00 0.00 -1.26 -4.96 105.19 102.38 2kpw n GLY 77 Ca 0.07 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2kpw n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kpw n VAL 78 N 0.00 0.00 -1.66 1.61 0.24 -1.26 -5.06 118.33 112.20 2kpw n VAL 78 Ca 0.00 -0.73 -0.31 0.00 -2.04 0.00 0.00 64.34 61.26 2kpw n VAL 78 Cb 0.00 -1.39 0.05 0.00 -1.47 0.00 0.00 33.84 31.03 2kpw n VAL 78 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2kpw s THR 79 N -3.43 4.01 -2.00 3.34 -4.23 -1.26 -4.94 115.64 107.14 2kpw s THR 79 Ca 0.72 0.65 0.17 0.00 -1.18 0.00 0.00 61.69 62.06 2kpw s THR 79 Cb -0.04 -3.47 0.49 0.00 1.34 0.00 0.00 72.50 70.82 2kpw s THR 79 CO 0.53 -0.85 1.48 0.00 -0.54 0.00 0.00 174.62 175.23 2kpw n ALA 80 N -3.08 2.30 -3.37 3.99 0.00 -1.26 -4.27 120.51 114.82 2kpw n ALA 80 Ca 0.07 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 2kpw n ALA 80 Cb 0.54 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.62 2kpw n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kpw s SER 81 N -1.85 1.71 0.24 0.00 0.15 -1.26 -4.46 113.70 108.22 2kpw s SER 81 Ca 0.26 -2.06 -0.05 0.00 0.70 0.00 0.00 55.95 54.80 2kpw s SER 81 Cb 0.12 0.12 0.36 0.00 -1.71 0.00 0.00 66.02 64.92 2kpw s SER 81 CO 0.20 -0.25 1.82 -0.65 1.20 0.00 0.00 173.24 175.56 2kpw h PRO 82 N 6.69 0.79 -0.59 5.44 0.11 -1.76 -3.46 132.00 139.23 2kpw h PRO 82 Ca 0.09 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2kpw h PRO 82 Cb 1.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2kpw h PRO 82 CO 0.24 0.52 0.00 -0.35 -0.21 0.00 0.00 178.00 178.20 2kpw n PRO 83 N -4.72 4.83 -0.03 1.05 -0.04 -1.26 -4.95 135.00 129.88 2kpw n PRO 83 Ca 0.13 -3.12 -0.10 0.00 -0.04 0.00 0.00 63.50 60.37 2kpw n PRO 83 Cb 0.24 -2.25 -0.04 0.00 -0.04 0.00 0.00 33.50 31.42 2kpw n PRO 83 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2kpw h THR 84 N 3.97 1.00 -0.96 0.52 1.35 -1.99 -3.45 112.91 113.35 2kpw h THR 84 Ca 0.00 -0.06 -0.49 0.00 -0.55 0.00 0.00 66.41 65.31 2kpw h THR 84 Cb 1.95 0.81 0.04 0.00 -1.73 0.00 0.00 68.15 69.22 2kpw h THR 84 CO 0.48 0.03 -0.05 -1.81 -0.25 0.00 0.00 175.52 173.92 2kpw s ASP 85 N -5.30 4.90 -0.07 5.36 1.01 -1.26 -4.83 116.67 116.48 2kpw s ASP 85 Ca -0.13 -0.81 0.02 0.00 0.71 0.00 0.00 52.55 52.34 2kpw s ASP 85 Cb 0.08 0.34 0.01 0.00 1.01 0.00 0.00 42.92 44.37 2kpw s ASP 85 CO 0.68 -1.49 -0.12 -0.76 0.21 0.00 0.00 175.17 173.69 2kpw s LEU 86 N -4.78 1.60 -0.43 1.23 1.43 -1.18 -4.34 118.68 112.21 2kpw s LEU 86 Ca 0.63 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 2kpw s LEU 86 Cb -0.05 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.38 2kpw s LEU 86 CO 0.40 0.02 0.46 -0.63 0.23 0.00 0.00 176.35 176.83 2kpw s ILE 87 N 0.76 5.07 -1.05 -0.59 1.09 -1.26 -0.70 121.20 124.52 2kpw s ILE 87 Ca -0.13 -0.41 -0.23 0.00 -1.10 0.00 0.00 60.65 58.79 2kpw s ILE 87 Cb -0.15 -4.08 -0.01 0.00 -1.06 0.00 0.00 42.46 37.16 2kpw s ILE 87 CO 0.03 -0.48 1.76 0.86 -0.10 0.00 0.00 174.94 177.00 2kpw s TRP 88 N 2.17 2.21 0.03 3.97 -0.00 0.10 -4.79 118.94 122.63 2kpw s TRP 88 Ca 0.12 -0.21 0.32 0.00 -0.00 0.00 0.00 56.10 56.33 2kpw s TRP 88 Cb -0.18 -4.35 1.21 0.00 -0.00 0.00 0.00 33.47 30.15 2kpw s TRP 88 CO 0.13 -1.72 1.93 0.87 -0.00 0.00 0.00 176.95 178.16 2kpw h LYS 89 N 9.95 0.00 0.00 5.86 1.57 -1.85 -2.51 116.57 129.60 2kpw h LYS 89 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2kpw h LYS 89 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2kpw h LYS 89 CO 1.32 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 180.30 2kpw n ASN 90 N -3.11 0.49 -3.85 0.86 4.13 -1.26 -4.54 115.26 107.98 2kpw n ASN 90 Ca 0.01 0.64 -0.12 0.00 1.68 0.00 0.00 54.58 56.79 2kpw n ASN 90 Cb 0.34 -0.74 -0.12 0.00 -1.54 0.00 0.00 39.78 37.72 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 -3.28 0.22 0.21 3.52 0.74 -1.19 -5.05 119.66 114.83 2kpw s GLN 91 Ca 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 55.36 55.42 2kpw s GLN 91 Cb 0.08 0.10 0.04 0.00 1.10 0.00 0.00 33.01 34.33 2kpw s GLN 91 CO 0.32 -0.04 0.28 0.09 -0.55 0.00 0.00 175.29 175.39 2kpw n ASN 92 N 2.58 0.32 -4.70 6.67 4.13 -1.26 -0.68 115.26 122.31 2kpw n ASN 92 Ca -0.15 -1.29 -0.42 0.00 1.68 0.00 0.00 54.58 54.40 2kpw n ASN 92 Cb 0.58 -0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.60 2kpw n ASN 92 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2kpw s SER 93 N -2.14 6.40 0.00 6.41 1.04 -1.26 -4.76 113.70 119.39 2kpw s SER 93 Ca 0.18 2.81 0.20 0.00 0.48 0.00 0.00 55.95 59.63 2kpw s SER 93 Cb -0.01 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.78 2kpw s SER 93 CO 0.12 -0.99 1.22 -2.67 0.98 0.00 0.00 173.24 171.90 2kpw n TRP 94 N 4.88 0.18 0.00 5.02 2.14 -1.09 -4.99 117.44 123.58 2kpw n TRP 94 Ca 0.17 -0.10 0.00 0.00 2.07 0.00 0.00 57.50 59.63 2kpw n TRP 94 Cb 0.37 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.87 2kpw n TRP 94 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2kpw n GLY 95 N 1.21 1.59 4.16 -1.67 0.00 -1.26 -4.69 105.19 104.54 2kpw n GLY 95 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kpw n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kpw n THR 96 N 0.00 0.00 0.22 2.61 -1.04 -1.26 -4.05 114.28 110.75 2kpw n THR 96 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 2kpw n THR 96 Cb 0.00 0.00 0.81 0.00 -1.82 0.00 0.00 70.33 69.32 2kpw n THR 96 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2kpw h GLY 97 N 0.00 0.00 -1.03 3.41 0.00 -1.83 -1.71 103.07 101.91 2kpw h GLY 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kpw h GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2kpw n GLU 98 N -3.39 1.39 -3.02 4.80 -0.58 -1.26 -4.86 120.64 113.71 2kpw n GLU 98 Ca 0.02 -0.36 -0.04 0.00 -0.42 0.00 0.00 57.16 56.36 2kpw n GLU 98 Cb 0.45 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 2kpw n GLU 98 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kpw n ASP 99 N -0.02 -7.74 -4.66 1.62 2.03 -0.64 -4.93 116.55 102.22 2kpw n ASP 99 Ca 0.03 0.09 -0.43 0.00 0.52 0.00 0.00 54.79 55.01 2kpw n ASP 99 Cb 0.28 -5.18 -0.03 0.00 -0.72 0.00 0.00 41.12 35.47 2kpw n ASP 99 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kpw s VAL 100 N -2.85 4.73 -0.25 5.18 0.11 -1.24 -4.63 120.40 121.46 2kpw s VAL 100 Ca 0.08 1.92 -0.14 0.00 -2.93 0.00 0.00 61.98 60.91 2kpw s VAL 100 Cb -0.02 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.52 2kpw s VAL 100 CO 0.76 -0.13 0.35 -0.75 -3.33 0.00 0.00 175.10 172.00 2kpw s LYS 101 N 2.98 4.07 -0.18 1.54 2.20 -0.40 -2.76 119.74 127.18 2kpw s LYS 101 Ca 0.42 0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.98 2kpw s LYS 101 Cb -0.15 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 2kpw s LYS 101 CO 0.08 -0.16 0.11 0.08 -0.36 0.00 0.00 175.35 175.09 2kpw s VAL 102 N 1.71 5.24 -0.22 4.02 1.01 0.22 -1.43 120.40 130.96 2kpw s VAL 102 Ca 0.15 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 2kpw s VAL 102 Cb -0.15 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 2kpw s VAL 102 CO 0.09 0.48 -0.05 -0.63 0.00 0.00 0.00 175.10 174.99 2kpw s ILE 103 N 0.12 3.36 -0.39 2.22 -1.09 0.86 -2.17 121.20 124.12 2kpw s ILE 103 Ca 0.08 -0.50 -0.12 0.00 -2.23 0.00 0.00 60.65 57.88 2kpw s ILE 103 Cb -0.11 -2.53 0.03 0.00 -1.58 0.00 0.00 42.46 38.27 2kpw s ILE 103 CO -0.01 0.43 0.24 -0.76 -1.23 0.00 0.00 174.94 173.62 2kpw s LEU 104 N 1.43 4.89 -0.00 2.97 1.43 -0.69 -1.21 118.68 127.50 2kpw s LEU 104 Ca 0.05 -1.00 0.07 0.00 -1.03 0.00 0.00 54.13 52.23 2kpw s LEU 104 Cb -0.14 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2kpw s LEU 104 CO -0.03 -0.42 -0.23 -0.54 0.23 0.00 0.00 176.35 175.36 2kpw s LYS 105 N 1.59 1.77 0.92 1.70 1.02 -1.12 -0.25 119.74 125.36 2kpw s LYS 105 Ca 0.03 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 2kpw s LYS 105 Cb -0.19 -1.76 0.15 0.00 -0.52 0.00 0.00 37.83 35.51 2kpw s LYS 105 CO 0.08 0.47 1.20 -0.80 -0.92 0.00 0.00 175.35 175.38 2kpw s ASN 106 N -0.70 3.43 0.64 2.83 -0.87 0.30 -1.77 114.94 118.81 2kpw s ASN 106 Ca 0.09 0.69 0.36 0.00 -1.57 0.00 0.00 52.86 52.43 2kpw s ASN 106 Cb -0.09 -1.06 2.02 0.00 -0.02 0.00 0.00 41.25 42.10 2kpw s ASN 106 CO -0.00 -2.57 2.20 0.28 -2.57 0.00 0.00 177.10 174.44 2kpw h SER 107 N -1.52 0.00 0.71 -1.22 0.02 -1.88 -0.48 113.55 109.17 2kpw h SER 107 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2kpw h SER 107 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2kpw h SER 107 CO 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.23 2kpw n GLN 108 N -3.27 0.23 0.00 3.45 6.02 -1.26 -4.90 117.38 117.64 2kpw n GLN 108 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2kpw n GLN 108 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.96 2kpw n GLN 108 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kpw n GLY 109 N 1.20 2.71 3.89 1.08 0.00 -0.19 -5.05 105.19 108.83 2kpw n GLY 109 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.61 2.93 -0.06 1.61 -1.05 -1.26 -4.78 118.70 115.48 2kpw s GLU 110 Ca 0.00 0.43 -0.02 0.00 -0.15 0.00 0.00 54.97 55.22 2kpw s GLU 110 Cb 0.00 -2.06 -0.04 0.00 -0.44 0.00 0.00 34.13 31.60 2kpw s GLU 110 CO 0.00 -0.95 0.06 -2.00 0.95 0.00 0.00 175.26 173.32 2kpw s GLU 111 N -5.30 3.12 -0.17 -4.83 2.12 -1.26 -0.54 118.70 111.84 2kpw s GLU 111 Ca 0.57 -0.38 -0.21 0.00 0.36 0.00 0.00 54.97 55.31 2kpw s GLU 111 Cb -0.11 -2.91 -0.18 0.00 0.26 0.00 0.00 34.13 31.19 2kpw s GLU 111 CO 0.51 0.70 0.34 0.28 -0.54 0.00 0.00 175.26 176.55 2kpw h VAL 112 N 3.72 1.04 -1.74 3.70 2.07 -0.99 -3.47 116.25 120.58 2kpw h VAL 112 Ca -0.51 -2.01 0.23 0.00 0.82 0.00 0.00 66.70 65.23 2kpw h VAL 112 Cb 1.20 2.19 -0.15 0.00 -1.52 0.00 0.00 31.29 33.01 2kpw h VAL 112 CO 0.58 0.35 0.71 0.00 0.02 0.00 0.00 177.57 179.24 2kpw s ALA 113 N -2.37 -2.01 -0.02 1.67 0.00 -1.22 -5.06 121.76 112.74 2kpw s ALA 113 Ca -0.22 1.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.74 2kpw s ALA 113 Cb 0.02 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.36 2kpw s ALA 113 CO 0.54 -0.79 0.13 1.14 0.00 0.00 0.00 175.76 176.77 2kpw s GLN 114 N -2.67 0.32 -0.10 0.00 -2.07 -1.26 -1.71 119.66 112.17 2kpw s GLN 114 Ca 0.10 -0.13 -0.15 0.00 -1.82 0.00 0.00 55.36 53.37 2kpw s GLN 114 Cb 0.00 0.14 0.04 0.00 -1.09 0.00 0.00 33.01 32.10 2kpw s GLN 114 CO -0.04 -0.07 0.38 0.50 -1.32 0.00 0.00 175.29 174.74 2kpw s ARG 115 N -0.69 0.55 0.55 9.60 3.52 -0.92 -4.99 118.95 126.57 2kpw s ARG 115 Ca -0.08 0.31 0.06 0.00 -0.13 0.00 0.00 55.73 55.89 2kpw s ARG 115 Cb -0.05 0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.65 2kpw s ARG 115 CO 0.01 -0.11 0.48 -1.54 -0.81 0.00 0.00 175.30 173.33 2kpw s SER 116 N -0.33 4.71 -0.27 -2.12 1.04 -1.26 -0.61 113.70 114.86 2kpw s SER 116 Ca -0.05 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.09 2kpw s SER 116 Cb -0.03 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 2kpw s SER 116 CO 0.02 -1.16 0.19 0.42 0.98 0.00 0.00 173.24 173.70 2kpw s THR 117 N -2.76 5.31 -0.85 2.02 -4.23 -1.11 -4.92 115.64 109.10 2kpw s THR 117 Ca 0.39 0.18 -0.25 0.00 -1.18 0.00 0.00 61.69 60.83 2kpw s THR 117 Cb -0.03 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.31 2kpw s THR 117 CO 0.24 0.26 1.42 -0.69 -0.54 0.00 0.00 174.62 175.32 2kpw s VAL 118 N 1.65 3.76 -0.19 2.29 1.01 -1.26 -4.40 120.40 123.26 2kpw s VAL 118 Ca 0.07 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2kpw s VAL 118 Cb -0.16 -4.86 -0.08 0.00 0.00 0.00 0.00 36.38 31.29 2kpw s VAL 118 CO 0.10 -1.78 2.15 2.22 0.00 0.00 0.00 175.10 177.79 2kpw n PHE 119 N 9.66 2.02 -4.31 5.22 -1.74 -1.26 -4.97 117.46 122.07 2kpw n PHE 119 Ca 0.18 -0.08 -0.24 0.00 -0.56 0.00 0.00 57.45 56.75 2kpw n PHE 119 Cb 0.50 -2.70 -0.08 0.00 1.52 0.00 0.00 39.48 38.72 2kpw n PHE 119 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2kpw s LYS 120 N 5.81 2.17 -0.33 3.97 -0.14 -1.26 -5.11 119.74 124.84 2kpw s LYS 120 Ca 1.00 -1.43 -0.01 0.00 -1.36 0.00 0.00 55.97 54.17 2kpw s LYS 120 Cb -0.49 -2.11 0.12 0.00 -1.68 0.00 0.00 37.83 33.67 2kpw s LYS 120 CO 0.41 0.38 0.17 0.99 -0.76 0.00 0.00 175.35 176.53 2kpw s THR 121 N -2.21 0.33 0.00 2.17 2.01 -1.26 -5.04 115.64 111.64 2kpw s THR 121 Ca 0.30 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 60.85 2kpw s THR 121 Cb -0.07 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.19 2kpw s THR 121 CO 0.18 -0.85 0.00 1.07 -0.69 0.00 0.00 174.62 174.34