#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw n GLY 2 N 0.00 1.71 3.87 3.03 0.00 -1.26 -5.04 105.19 107.50 2kpw n GLY 2 Ca 0.00 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 2kpw n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpw s HIS 3 N -1.85 3.60 -0.08 1.61 4.02 -1.26 -5.10 115.29 116.24 2kpw s HIS 3 Ca 0.00 0.72 0.01 0.00 1.02 0.00 0.00 55.06 56.81 2kpw s HIS 3 Cb 0.00 -2.10 0.02 0.00 -1.02 0.00 0.00 32.58 29.48 2kpw s HIS 3 CO 0.00 0.58 -0.08 -3.38 1.02 0.00 0.00 174.74 172.89 2kpw s HIS 4 N -1.29 1.28 -0.02 1.40 0.00 -1.26 -5.12 115.29 110.28 2kpw s HIS 4 Ca 0.29 -0.53 -0.30 0.00 -3.00 0.00 0.00 55.06 51.51 2kpw s HIS 4 Cb -0.14 -1.05 -0.06 0.00 -4.00 0.00 0.00 32.58 27.34 2kpw s HIS 4 CO 0.16 -0.37 1.52 -1.01 -1.00 0.00 0.00 174.74 174.04 2kpw s HIS 5 N 1.27 2.48 0.21 0.38 0.09 -1.26 -5.02 115.29 113.44 2kpw s HIS 5 Ca -0.04 0.53 0.03 0.00 -0.00 0.00 0.00 55.06 55.58 2kpw s HIS 5 Cb -0.14 -3.79 -0.05 0.00 -0.00 0.00 0.00 32.58 28.60 2kpw s HIS 5 CO -0.03 -3.13 -0.01 -1.58 -0.00 0.00 0.00 174.74 170.00 2kpw s HIS 6 N 3.08 1.43 -0.96 1.40 5.65 -1.26 -4.81 115.29 119.83 2kpw s HIS 6 Ca 0.68 -0.94 -0.01 0.00 0.25 0.00 0.00 55.06 55.05 2kpw s HIS 6 Cb -0.33 -0.82 0.00 0.00 -1.18 0.00 0.00 32.58 30.26 2kpw s HIS 6 CO 0.28 -0.08 0.09 0.72 -0.65 0.00 0.00 174.74 175.10 2kpw n HIS 7 N -0.35 -0.70 -1.94 3.88 -0.00 -1.26 -4.93 115.22 109.92 2kpw n HIS 7 Ca -0.06 0.08 -0.42 0.00 -0.00 0.00 0.00 57.72 57.32 2kpw n HIS 7 Cb 0.63 -2.73 -0.00 0.00 -0.00 0.00 0.00 29.99 27.89 2kpw n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kpw n HIS 8 N -3.99 3.73 -2.85 4.41 -0.00 -1.26 -4.94 115.22 110.32 2kpw n HIS 8 Ca -0.12 -2.83 -0.21 0.00 -0.00 0.00 0.00 57.72 54.55 2kpw n HIS 8 Cb 0.59 -2.53 0.09 0.00 -0.00 0.00 0.00 29.99 28.14 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 3.67 4.73 -0.06 0.26 0.15 -1.26 -5.13 113.70 116.06 2kpw s SER 9 Ca 0.50 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 56.44 2kpw s SER 9 Cb 0.11 0.24 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2kpw s SER 9 CO -0.02 -1.61 0.10 -1.00 1.20 0.00 0.00 173.24 171.91 2kpw s HIS 10 N -2.89 -0.06 -0.09 3.44 0.09 -1.26 -5.14 115.29 109.39 2kpw s HIS 10 Ca 0.64 0.40 -0.01 0.00 -0.00 0.00 0.00 55.06 56.10 2kpw s HIS 10 Cb -0.05 -0.33 0.03 0.00 -0.00 0.00 0.00 32.58 32.23 2kpw s HIS 10 CO 0.42 -0.21 -0.03 -1.64 -0.00 0.00 0.00 174.74 173.28 2kpw s MET 11 N 1.99 0.96 0.00 1.40 1.00 -1.26 -5.15 119.30 118.25 2kpw s MET 11 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 55.69 55.67 2kpw s MET 11 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 34.83 33.51 2kpw s MET 11 CO -0.04 -0.28 0.00 -2.37 0.00 0.00 0.00 175.02 172.33 2kpw n THR 12 N 5.02 0.00 -1.67 2.05 5.66 -1.26 -4.93 114.28 119.15 2kpw n THR 12 Ca -0.10 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.64 2kpw n THR 12 Cb 0.50 -0.93 -0.09 0.00 -1.55 0.00 0.00 70.33 68.27 2kpw n THR 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kpw n GLY 13 N 5.00 0.63 0.95 1.09 0.00 -1.26 -4.62 105.19 106.98 2kpw n GLY 13 Ca 0.00 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.63 2kpw n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kpw n ASN 14 N 15.15 2.87 -4.43 1.61 0.23 -1.26 -4.77 115.26 124.66 2kpw n ASN 14 Ca 0.44 -1.91 -0.44 0.00 -0.53 0.00 0.00 54.58 52.15 2kpw n ASN 14 Cb 0.46 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.97 2kpw n ASN 14 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2kpw s VAL 15 N -1.70 4.64 0.22 3.53 1.01 -1.26 -3.43 120.40 123.41 2kpw s VAL 15 Ca 0.35 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2kpw s VAL 15 Cb 0.21 -4.69 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 2kpw s VAL 15 CO 0.30 -1.41 0.45 0.00 0.00 0.00 0.00 175.10 174.44 2kpw s ILE 17 N -1.88 3.06 -0.20 0.00 1.01 -1.26 -0.50 121.20 121.43 2kpw s ILE 17 Ca 0.41 0.53 -0.18 0.00 0.00 0.00 0.00 60.65 61.42 2kpw s ILE 17 Cb -0.11 -3.34 -0.14 0.00 0.01 0.00 0.00 42.46 38.88 2kpw s ILE 17 CO 0.28 0.00 0.01 1.21 0.00 0.00 0.00 174.94 176.44 2kpw n GLU 18 N 5.46 0.54 -3.53 2.79 2.13 -0.22 -4.85 120.64 122.97 2kpw n GLU 18 Ca 0.15 0.50 -0.12 0.00 0.66 0.00 0.00 57.16 58.35 2kpw n GLU 18 Cb 0.41 -1.68 -0.04 0.00 0.27 0.00 0.00 31.44 30.40 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 -2.39 1.14 0.03 5.31 2.12 -0.83 -5.05 118.70 119.03 2kpw s GLU 19 Ca -0.28 -0.46 0.06 0.00 0.36 0.00 0.00 54.97 54.66 2kpw s GLU 19 Cb 0.06 0.52 -0.02 0.00 0.26 0.00 0.00 34.13 34.95 2kpw s GLU 19 CO 0.49 -0.46 -0.18 0.42 -0.54 0.00 0.00 175.26 174.99 2kpw s ILE 20 N -3.35 1.44 0.32 -3.70 1.01 -1.26 -0.33 121.20 115.33 2kpw s ILE 20 Ca -0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.33 2kpw s ILE 20 Cb 0.00 -1.25 -0.12 0.00 0.01 0.00 0.00 42.46 41.10 2kpw s ILE 20 CO -0.09 0.19 1.45 -0.67 0.00 0.00 0.00 174.94 175.82 2kpw n ASP 21 N 2.06 3.35 -0.07 3.58 2.03 -0.45 -4.91 116.55 122.13 2kpw n ASP 21 Ca -0.17 1.19 -0.03 0.00 0.52 0.00 0.00 54.79 56.29 2kpw n ASP 21 Cb 0.54 -1.54 0.19 0.00 -0.72 0.00 0.00 41.12 39.59 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 2.97 1.24 0.00 5.18 3.04 -1.97 -3.33 116.25 123.37 2kpw h VAL 22 Ca -0.47 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.23 2kpw h VAL 22 Cb 1.25 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2kpw h VAL 22 CO 0.70 0.34 0.00 -0.67 -1.01 0.00 0.00 177.57 176.93 2kpw n ASP 23 N -4.22 0.00 0.00 3.17 2.03 -1.26 -3.30 116.55 112.98 2kpw n ASP 23 Ca 0.02 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.77 2kpw n ASP 23 Cb 0.30 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2kpw n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kpw n GLY 24 N 1.98 0.00 0.10 0.27 0.00 -1.25 -1.10 105.19 105.19 2kpw n GLY 24 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2kpw n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kpw h LYS 25 N 0.00 0.00 -4.00 1.61 6.56 -1.94 -2.83 116.57 115.96 2kpw h LYS 25 Ca 0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 2kpw h LYS 25 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 31.52 2kpw h LYS 25 CO 0.00 0.95 -0.44 -0.59 -2.06 0.00 0.00 179.45 177.30 2kpw s PHE 26 N -2.34 0.42 -0.04 -1.35 -0.71 -1.26 -0.96 117.98 111.73 2kpw s PHE 26 Ca -0.27 -0.83 0.07 0.00 -1.04 0.00 0.00 56.93 54.86 2kpw s PHE 26 Cb 0.05 -0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.67 2kpw s PHE 26 CO 0.58 -0.58 -0.25 0.42 -1.34 0.00 0.00 175.22 174.04 2kpw s ILE 27 N -3.94 2.06 -0.23 -4.49 1.01 -0.21 -1.35 121.20 114.05 2kpw s ILE 27 Ca 0.13 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 2kpw s ILE 27 Cb 0.05 -1.72 0.02 0.00 0.01 0.00 0.00 42.46 40.82 2kpw s ILE 27 CO -0.05 0.58 -0.09 -0.60 0.00 0.00 0.00 174.94 174.78 2kpw s ARG 28 N -0.39 2.92 0.07 2.79 3.52 0.55 -0.27 118.95 128.14 2kpw s ARG 28 Ca 0.03 -0.91 0.03 0.00 -0.13 0.00 0.00 55.73 54.75 2kpw s ARG 28 Cb -0.12 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.33 2kpw s ARG 28 CO 0.01 -0.34 0.06 -0.51 -0.81 0.00 0.00 175.30 173.71 2kpw s LEU 29 N 1.33 3.72 -0.07 -0.88 1.02 -0.57 -1.06 118.68 122.17 2kpw s LEU 29 Ca 0.02 -0.04 0.04 0.00 0.02 0.00 0.00 54.13 54.16 2kpw s LEU 29 Cb -0.16 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.67 2kpw s LEU 29 CO -0.06 0.18 -0.19 -0.75 0.02 0.00 0.00 176.35 175.55 2kpw s LYS 30 N -2.30 2.32 -0.42 1.70 2.20 0.35 -0.20 119.74 123.38 2kpw s LYS 30 Ca 0.28 -0.69 -0.25 0.00 -0.36 0.00 0.00 55.97 54.96 2kpw s LYS 30 Cb -0.12 -1.86 0.02 0.00 -1.51 0.00 0.00 37.83 34.36 2kpw s LYS 30 CO 0.20 0.17 0.87 1.21 -0.36 0.00 0.00 175.35 177.45 2kpw s ASN 31 N 0.31 6.54 -0.10 1.43 2.47 -0.94 -1.80 114.94 122.84 2kpw s ASN 31 Ca -0.13 0.24 0.18 0.00 0.42 0.00 0.00 52.86 53.57 2kpw s ASN 31 Cb -0.15 -2.43 0.69 0.00 -1.45 0.00 0.00 41.25 37.90 2kpw s ASN 31 CO 0.05 -0.91 1.59 1.07 -3.72 0.00 0.00 177.10 175.18 2kpw n THR 32 N 6.13 1.69 -2.22 -5.21 5.66 -1.22 -0.05 114.28 119.06 2kpw n THR 32 Ca 0.05 -1.11 -0.20 0.00 -3.05 0.00 0.00 64.05 59.75 2kpw n THR 32 Cb 0.48 0.12 0.12 0.00 -1.55 0.00 0.00 70.33 69.50 2kpw n THR 32 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2kpw n SER 33 N 1.11 0.68 0.00 1.09 2.88 -1.26 -4.88 113.62 113.24 2kpw n SER 33 Ca 0.25 -1.69 0.11 0.00 -1.33 0.00 0.00 58.87 56.20 2kpw n SER 33 Cb 0.84 -0.61 -0.15 0.00 -0.75 0.00 0.00 64.21 63.53 2kpw n SER 33 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kpw n GLU 34 N -2.72 0.65 -3.99 -1.46 1.02 -1.26 -4.27 120.64 108.61 2kpw n GLU 34 Ca 0.13 -0.17 -0.25 0.00 -0.02 0.00 0.00 57.16 56.85 2kpw n GLU 34 Cb 0.46 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.50 3.29 -0.81 3.49 0.74 -1.26 -4.54 119.66 117.07 2kpw s GLN 35 Ca -0.07 -0.71 -0.25 0.00 0.05 0.00 0.00 55.36 54.38 2kpw s GLN 35 Cb 0.14 -2.86 -0.09 0.00 1.10 0.00 0.00 33.01 31.29 2kpw s GLN 35 CO 0.90 0.49 2.19 -0.51 -0.55 0.00 0.00 175.29 177.81 2kpw s ASP 36 N -3.35 4.50 -0.26 6.67 1.11 -1.26 -3.94 116.67 120.14 2kpw s ASP 36 Ca 0.34 -0.19 -0.29 0.00 0.18 0.00 0.00 52.55 52.59 2kpw s ASP 36 Cb -0.10 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.34 2kpw s ASP 36 CO 0.27 -3.29 1.24 -1.10 1.18 0.00 0.00 175.17 173.48 2kpw s GLN 37 N 7.98 4.04 0.42 8.23 -1.52 0.27 -4.63 119.66 134.45 2kpw s GLN 37 Ca 0.82 1.33 -0.25 0.00 -1.95 0.00 0.00 55.36 55.31 2kpw s GLN 37 Cb -0.10 -3.82 -0.08 0.00 -0.22 0.00 0.00 33.01 28.79 2kpw s GLN 37 CO 0.06 -0.96 1.23 -1.25 -0.25 0.00 0.00 175.29 174.13 2kpw s PRO 38 N 3.87 3.90 0.58 2.91 0.04 -1.26 0.08 135.00 145.11 2kpw s PRO 38 Ca 0.53 1.98 0.29 0.00 0.04 0.00 0.00 61.00 63.84 2kpw s PRO 38 Cb -0.17 -2.63 1.46 0.00 0.04 0.00 0.00 34.50 33.20 2kpw s PRO 38 CO 0.19 -0.49 1.88 1.98 0.04 0.00 0.00 177.00 180.60 2kpw h MET 39 N 2.47 0.00 0.00 4.56 4.05 -1.69 -3.45 114.93 120.86 2kpw h MET 39 Ca -0.49 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2kpw h MET 39 Cb 1.25 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2kpw h MET 39 CO 0.62 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.17 2kpw n GLY 40 N -1.56 0.78 0.00 1.39 0.00 -1.26 -4.12 105.19 100.42 2kpw n GLY 40 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.90 3.88 -0.02 0.00 -0.84 -2.29 105.19 105.03 2kpw n GLY 41 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 3.45 -0.29 1.61 0.51 -1.22 -4.12 118.94 118.87 2kpw s TRP 42 Ca 0.00 0.88 -0.14 0.00 -2.12 0.00 0.00 56.10 54.72 2kpw s TRP 42 Cb 0.00 -2.29 -0.03 0.00 -0.81 0.00 0.00 33.47 30.34 2kpw s TRP 42 CO 0.00 0.11 0.31 -2.00 -0.51 0.00 0.00 176.95 174.86 2kpw s GLU 43 N -3.38 3.87 -0.49 4.98 2.12 0.49 -1.05 118.70 125.25 2kpw s GLU 43 Ca 0.48 -0.19 -0.16 0.00 0.36 0.00 0.00 54.97 55.46 2kpw s GLU 43 Cb -0.11 -3.70 0.08 0.00 0.26 0.00 0.00 34.13 30.66 2kpw s GLU 43 CO 0.27 -0.31 0.45 1.41 -0.54 0.00 0.00 175.26 176.53 2kpw s MET 44 N 1.96 3.00 -0.33 4.30 -2.45 0.43 -1.07 119.30 125.15 2kpw s MET 44 Ca 0.12 -1.31 -0.20 0.00 -1.25 0.00 0.00 55.69 53.05 2kpw s MET 44 Cb -0.16 -4.14 -0.00 0.00 1.25 0.00 0.00 34.83 31.77 2kpw s MET 44 CO 0.11 -1.09 0.61 0.42 1.05 0.00 0.00 175.02 176.12 2kpw s ILE 45 N 1.81 4.93 -0.06 10.11 1.01 0.35 -1.67 121.20 137.69 2kpw s ILE 45 Ca 0.06 0.70 0.05 0.00 0.00 0.00 0.00 60.65 61.45 2kpw s ILE 45 Cb -0.24 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2kpw s ILE 45 CO 0.07 -0.21 -0.20 -0.60 0.00 0.00 0.00 174.94 174.01 2kpw s ARG 46 N 2.61 2.56 -0.12 2.79 3.52 0.17 -0.04 118.95 130.43 2kpw s ARG 46 Ca 0.24 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 2kpw s ARG 46 Cb -0.15 -2.28 0.04 0.00 -1.56 0.00 0.00 34.95 31.00 2kpw s ARG 46 CO 0.13 0.49 -0.01 0.21 -0.81 0.00 0.00 175.30 175.31 2kpw s LYS 47 N -0.40 0.87 -0.22 5.12 2.20 -0.89 -0.77 119.74 125.64 2kpw s LYS 47 Ca 0.04 -0.16 -0.03 0.00 -0.36 0.00 0.00 55.97 55.46 2kpw s LYS 47 Cb -0.12 -1.48 -0.00 0.00 -1.51 0.00 0.00 37.83 34.72 2kpw s LYS 47 CO 0.02 -0.40 -0.06 -1.50 -0.36 0.00 0.00 175.35 173.05 2kpw s ILE 48 N 1.86 3.18 0.00 5.43 2.07 -0.30 -3.19 121.20 130.25 2kpw s ILE 48 Ca 0.03 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.68 2kpw s ILE 48 Cb -0.14 -2.45 0.00 0.00 0.13 0.00 0.00 42.46 40.00 2kpw s ILE 48 CO -0.07 0.41 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 2kpw n GLY 49 N 4.77 1.12 0.00 1.50 0.00 -1.26 -2.20 105.19 109.12 2kpw n GLY 49 Ca -0.18 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2kpw n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kpw n ASP 50 N 2.52 0.00 -4.78 1.61 2.03 -1.26 -5.12 116.55 111.55 2kpw n ASP 50 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2kpw n ASP 50 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2kpw n ASP 50 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kpw s THR 51 N 0.00 4.21 0.10 5.18 -1.32 -0.93 -5.05 115.64 117.83 2kpw s THR 51 Ca 0.00 1.84 0.09 0.00 -1.21 0.00 0.00 61.69 62.41 2kpw s THR 51 Cb 0.00 -4.06 -0.04 0.00 -1.51 0.00 0.00 72.50 66.90 2kpw s THR 51 CO 0.00 0.21 -0.22 -0.94 -2.21 0.00 0.00 174.62 171.46 2kpw s SER 52 N -1.54 2.69 -0.06 8.08 1.04 -1.26 -1.15 113.70 121.50 2kpw s SER 52 Ca 0.48 -0.68 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 2kpw s SER 52 Cb -0.20 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.79 2kpw s SER 52 CO 0.25 0.09 0.30 0.54 0.98 0.00 0.00 173.24 175.40 2kpw s VAL 53 N -1.11 0.03 -0.08 5.02 0.11 0.05 -5.01 120.40 119.41 2kpw s VAL 53 Ca 0.08 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2kpw s VAL 53 Cb -0.10 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2kpw s VAL 53 CO 0.04 -0.15 -0.12 -0.94 -3.33 0.00 0.00 175.10 170.60 2kpw s SER 54 N -0.62 1.98 -0.04 3.54 1.04 -1.26 -0.66 113.70 117.67 2kpw s SER 54 Ca -0.07 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.10 2kpw s SER 54 Cb -0.04 -0.89 -0.01 0.00 0.10 0.00 0.00 66.02 65.18 2kpw s SER 54 CO 0.02 0.01 -0.25 -0.47 0.98 0.00 0.00 173.24 173.53 2kpw s TYR 55 N 0.87 2.40 -0.19 5.02 5.04 -0.67 -4.93 117.35 124.89 2kpw s TYR 55 Ca -0.10 -0.61 -0.10 0.00 -2.44 0.00 0.00 57.07 53.82 2kpw s TYR 55 Cb -0.15 -1.56 -0.05 0.00 0.35 0.00 0.00 41.96 40.55 2kpw s TYR 55 CO 0.01 -0.14 0.13 0.21 -1.34 0.00 0.00 175.55 174.42 2kpw s LYS 56 N -0.35 4.09 -0.83 4.97 2.20 -1.26 -0.43 119.74 128.14 2kpw s LYS 56 Ca 0.02 -0.20 -0.22 0.00 -0.36 0.00 0.00 55.97 55.21 2kpw s LYS 56 Cb -0.12 -3.39 0.08 0.00 -1.51 0.00 0.00 37.83 32.89 2kpw s LYS 56 CO 0.02 0.37 1.15 0.71 -0.36 0.00 0.00 175.35 177.23 2kpw s TYR 57 N 0.17 2.75 0.25 4.03 1.51 -0.22 -4.91 117.35 120.92 2kpw s TYR 57 Ca 0.09 -0.82 -0.30 0.00 -1.01 0.00 0.00 57.07 55.03 2kpw s TYR 57 Cb -0.11 -4.41 -0.09 0.00 -0.11 0.00 0.00 41.96 37.24 2kpw s TYR 57 CO -0.01 -1.70 1.19 -0.08 -1.11 0.00 0.00 175.55 173.84 2kpw s THR 58 N 3.99 3.34 -0.90 -0.71 -1.32 -1.26 -1.98 115.64 116.80 2kpw s THR 58 Ca 0.32 1.24 -0.24 0.00 -1.21 0.00 0.00 61.69 61.79 2kpw s THR 58 Cb -0.09 -3.79 -0.02 0.00 -1.51 0.00 0.00 72.50 67.09 2kpw s THR 58 CO 0.00 0.25 1.81 -0.94 -2.21 0.00 0.00 174.62 173.54 2kpw s SER 59 N -0.35 5.47 -0.01 8.08 1.04 -0.97 -4.65 113.70 122.32 2kpw s SER 59 Ca 0.49 -0.74 0.12 0.00 0.48 0.00 0.00 55.95 56.30 2kpw s SER 59 Cb -0.34 -2.56 -0.17 0.00 0.10 0.00 0.00 66.02 63.05 2kpw s SER 59 CO 0.42 -2.42 0.33 -2.11 0.98 0.00 0.00 173.24 170.44 2kpw n ARG 60 N 8.91 1.26 -3.22 4.02 1.85 -1.26 -4.88 116.66 123.33 2kpw n ARG 60 Ca 0.36 -0.07 -0.08 0.00 -1.00 0.00 0.00 57.85 57.06 2kpw n ARG 60 Cb 0.48 -1.21 0.02 0.00 -1.05 0.00 0.00 32.46 30.70 2kpw n ARG 60 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2kpw n TYR 61 N -1.71 -1.94 -4.37 2.89 0.18 -1.26 -4.80 117.16 106.15 2kpw n TYR 61 Ca -0.01 -1.52 -0.24 0.00 1.88 0.00 0.00 57.90 58.01 2kpw n TYR 61 Cb 0.27 0.68 -0.09 0.00 -0.38 0.00 0.00 39.34 39.82 2kpw n TYR 61 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2kpw s VAL 62 N -2.37 3.01 -0.21 -3.48 -7.23 -1.26 -1.92 120.40 106.94 2kpw s VAL 62 Ca 0.14 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2kpw s VAL 62 Cb -0.03 -2.58 0.05 0.00 0.56 0.00 0.00 36.38 34.37 2kpw s VAL 62 CO 0.10 -0.35 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.22 2kpw s LEU 63 N -3.51 2.38 0.89 1.32 2.96 0.11 -4.91 118.68 117.92 2kpw s LEU 63 Ca 0.30 -0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 2kpw s LEU 63 Cb -0.06 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.51 2kpw s LEU 63 CO 0.17 -0.16 1.13 -0.75 -1.32 0.00 0.00 176.35 175.43 2kpw s LYS 64 N 1.38 1.35 0.04 1.98 2.20 -1.26 -0.57 119.74 124.86 2kpw s LYS 64 Ca -0.02 0.34 -0.36 0.00 -0.36 0.00 0.00 55.97 55.57 2kpw s LYS 64 Cb -0.17 -1.86 -0.15 0.00 -1.51 0.00 0.00 37.83 34.15 2kpw s LYS 64 CO -0.08 -2.07 1.55 0.00 -0.36 0.00 0.00 175.35 174.40 2kpw n ALA 65 N -3.68 0.22 0.00 3.13 0.00 -1.25 -1.70 120.51 117.23 2kpw n ALA 65 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2kpw n ALA 65 Cb 0.59 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 3.31 3.00 3.75 0.00 0.00 0.92 -4.99 105.19 111.18 2kpw n GLY 66 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2kpw n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kpw s GLN 67 N -0.03 4.54 -0.15 1.61 2.00 -0.69 -4.71 119.66 122.23 2kpw s GLN 67 Ca 0.00 1.91 -0.05 0.00 -2.00 0.00 0.00 55.36 55.21 2kpw s GLN 67 Cb 0.00 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 2kpw s GLN 67 CO 0.00 0.05 0.03 0.95 -0.50 0.00 0.00 175.29 175.82 2kpw s THR 68 N -0.83 4.51 -0.06 -0.34 -4.23 -1.26 -2.22 115.64 111.21 2kpw s THR 68 Ca 0.48 -0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.76 2kpw s THR 68 Cb -0.34 -2.99 -0.05 0.00 1.34 0.00 0.00 72.50 70.47 2kpw s THR 68 CO 0.42 0.51 0.23 0.54 -0.54 0.00 0.00 174.62 175.78 2kpw s VAL 69 N 0.04 5.34 -0.21 2.29 0.11 0.72 -4.93 120.40 123.76 2kpw s VAL 69 Ca 0.04 0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 59.40 2kpw s VAL 69 Cb -0.13 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.19 2kpw s VAL 69 CO 0.01 0.56 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.44 2kpw s THR 70 N -1.10 3.73 -0.46 5.04 2.01 -1.26 -1.51 115.64 122.10 2kpw s THR 70 Ca 0.20 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 2kpw s THR 70 Cb -0.13 -2.70 0.10 0.00 0.01 0.00 0.00 72.50 69.78 2kpw s THR 70 CO 0.09 0.42 0.33 -0.63 -0.69 0.00 0.00 174.62 174.14 2kpw s ILE 71 N 1.25 4.39 -0.11 1.82 -1.09 0.63 -1.09 121.20 126.99 2kpw s ILE 71 Ca 0.03 -1.55 -0.27 0.00 -2.23 0.00 0.00 60.65 56.64 2kpw s ILE 71 Cb -0.15 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2kpw s ILE 71 CO 0.00 -0.66 0.88 0.26 -1.23 0.00 0.00 174.94 174.19 2kpw s TRP 72 N 1.43 3.50 -1.22 3.97 0.52 0.11 -1.05 118.94 126.21 2kpw s TRP 72 Ca 0.04 1.41 -0.20 0.00 0.02 0.00 0.00 56.10 57.37 2kpw s TRP 72 Cb -0.25 -3.04 0.01 0.00 -1.15 0.00 0.00 33.47 29.04 2kpw s TRP 72 CO 0.01 -0.16 1.79 0.00 0.02 0.00 0.00 176.95 178.61 2kpw s ALA 73 N 1.76 2.69 0.00 0.98 0.00 -0.14 0.00 121.76 127.06 2kpw s ALA 73 Ca 0.43 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.84 2kpw s ALA 73 Cb -0.18 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.30 2kpw s ALA 73 CO 0.17 -4.03 0.00 0.00 0.00 0.00 0.00 175.76 171.90 2kpw n ALA 74 N 10.66 0.00 -1.73 0.00 0.00 -0.33 -1.76 120.51 127.35 2kpw n ALA 74 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 2kpw n ALA 74 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 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 0.97 3.05 -0.12 0.00 3.02 -1.26 -4.51 115.26 116.41 2kpw n ASN 75 Ca 0.00 -2.72 -0.25 0.00 -0.03 0.00 0.00 54.58 51.59 2kpw n ASN 75 Cb 0.00 -1.49 -0.09 0.00 -0.61 0.00 0.00 39.78 37.60 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 10.76 1.46 0.00 5.41 0.00 -1.26 -4.93 120.51 131.95 2kpw n ALA 76 Ca 0.47 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2kpw n ALA 76 Cb 0.44 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 1.61 2.11 1.31 0.00 0.00 -1.26 -4.99 105.19 103.96 2kpw n GLY 77 Ca -0.46 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.68 1.61 0.24 -1.26 -4.93 118.33 112.31 2kpw n VAL 78 Ca 0.00 -0.27 -0.51 0.00 -2.04 0.00 0.00 64.34 61.52 2kpw n VAL 78 Cb 0.00 -1.51 -0.05 0.00 -1.47 0.00 0.00 33.84 30.80 2kpw n VAL 78 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kpw n THR 79 N -2.94 0.40 -1.94 3.34 -1.04 -1.26 -4.81 114.28 106.03 2kpw n THR 79 Ca 0.06 -0.07 -0.25 0.00 -2.04 0.00 0.00 64.05 61.74 2kpw n THR 79 Cb 0.21 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 2kpw n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kpw s ALA 80 N 3.32 1.51 -0.12 2.41 0.00 -1.26 -4.36 121.76 123.26 2kpw s ALA 80 Ca 0.92 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 2kpw s ALA 80 Cb -0.81 -4.54 0.00 0.00 0.00 0.00 0.00 23.12 17.78 2kpw s ALA 80 CO 0.53 -4.95 0.06 0.45 0.00 0.00 0.00 175.76 171.85 2kpw n SER 81 N 14.84 -4.16 -3.29 0.00 2.88 -1.26 -4.97 113.62 117.66 2kpw n SER 81 Ca 0.40 0.42 -0.10 0.00 -1.33 0.00 0.00 58.87 58.26 2kpw n SER 81 Cb 0.47 -2.57 0.10 0.00 -0.75 0.00 0.00 64.21 61.46 2kpw n SER 81 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2kpw n PRO 82 N 0.06 -1.11 -1.70 -1.46 -0.02 -1.05 -4.93 135.00 124.79 2kpw n PRO 82 Ca 0.01 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 2kpw n PRO 82 Cb 0.05 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 2kpw n PRO 82 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kpw n PRO 83 N -1.49 -0.74 0.00 0.52 -0.02 -1.26 -4.61 135.00 127.40 2kpw n PRO 83 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2kpw n PRO 83 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.68 2kpw n PRO 83 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2kpw n THR 84 N -0.66 0.00 -4.10 3.45 5.66 -1.26 -5.13 114.28 112.23 2kpw n THR 84 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 2kpw n THR 84 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 0.00 5.53 -0.02 1.09 1.11 -1.26 -4.07 116.67 119.06 2kpw s ASP 85 Ca 0.00 -0.21 0.05 0.00 0.18 0.00 0.00 52.55 52.58 2kpw s ASP 85 Cb 0.00 -1.42 -0.01 0.00 1.07 0.00 0.00 42.92 42.56 2kpw s ASP 85 CO 0.00 -0.00 -0.18 -0.76 1.18 0.00 0.00 175.17 175.41 2kpw s LEU 86 N -3.60 2.02 -0.30 1.23 1.43 -0.25 -2.51 118.68 116.70 2kpw s LEU 86 Ca 0.32 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 53.01 2kpw s LEU 86 Cb -0.09 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 2kpw s LEU 86 CO 0.24 0.21 0.12 -0.63 0.23 0.00 0.00 176.35 176.53 2kpw s ILE 87 N -0.38 4.43 -0.52 -0.59 1.09 -1.26 0.09 121.20 124.07 2kpw s ILE 87 Ca 0.06 -0.43 -0.28 0.00 -1.10 0.00 0.00 60.65 58.90 2kpw s ILE 87 Cb -0.07 -3.24 0.01 0.00 -1.06 0.00 0.00 42.46 38.10 2kpw s ILE 87 CO -0.00 0.11 1.49 0.86 -0.10 0.00 0.00 174.94 177.30 2kpw s TRP 88 N 1.59 2.20 -1.54 3.97 -0.00 0.10 -4.81 118.94 120.45 2kpw s TRP 88 Ca 0.04 0.55 0.30 0.00 -0.00 0.00 0.00 56.10 56.99 2kpw s TRP 88 Cb -0.17 -4.33 1.39 0.00 -0.00 0.00 0.00 33.47 30.36 2kpw s TRP 88 CO 0.05 -2.10 1.96 1.63 -0.00 0.00 0.00 176.95 178.50 2kpw n LYS 89 N 8.59 0.56 -0.04 5.86 5.02 -1.26 -1.19 118.16 135.70 2kpw n LYS 89 Ca 0.15 -0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.12 2kpw n LYS 89 Cb 0.49 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.13 2.04 -4.33 4.39 4.13 -1.26 -4.95 115.26 114.15 2kpw n ASN 90 Ca 0.15 0.24 -0.30 0.00 1.68 0.00 0.00 54.58 56.35 2kpw n ASN 90 Cb 0.25 -0.85 -0.15 0.00 -1.54 0.00 0.00 39.78 37.49 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 -2.50 1.81 0.68 3.52 0.74 -1.25 -5.10 119.66 117.56 2kpw s GLN 91 Ca -0.26 -1.06 0.01 0.00 0.05 0.00 0.00 55.36 54.11 2kpw s GLN 91 Cb 0.07 -1.94 0.11 0.00 1.10 0.00 0.00 33.01 32.35 2kpw s GLN 91 CO 0.70 0.51 0.94 -0.80 -0.55 0.00 0.00 175.29 176.08 2kpw s ASN 92 N -1.11 4.56 -0.14 6.67 -0.87 -1.26 -3.13 114.94 119.66 2kpw s ASN 92 Ca 0.11 -0.42 -0.29 0.00 -1.57 0.00 0.00 52.86 50.69 2kpw s ASN 92 Cb -0.10 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.25 41.04 2kpw s ASN 92 CO 0.01 -1.70 2.13 -0.94 -2.57 0.00 0.00 177.10 174.03 2kpw s SER 93 N -4.70 5.78 0.16 -1.22 1.04 -0.72 -4.86 113.70 109.18 2kpw s SER 93 Ca 0.65 2.12 0.02 0.00 0.48 0.00 0.00 55.95 59.21 2kpw s SER 93 Cb -0.06 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 2kpw s SER 93 CO 0.43 -1.67 1.36 4.11 0.98 0.00 0.00 173.24 178.45 2kpw h TRP 94 N 13.59 0.31 -6.51 5.02 0.09 -1.81 -3.48 115.95 123.16 2kpw h TRP 94 Ca -0.43 -0.17 -0.50 0.00 0.09 0.00 0.00 58.89 57.87 2kpw h TRP 94 Cb 1.24 -0.03 -0.05 0.00 0.08 0.00 0.00 29.16 30.39 2kpw h TRP 94 CO 0.95 0.99 -0.89 0.41 0.09 0.00 0.00 178.44 179.99 2kpw n GLY 95 N 0.90 -0.26 0.13 11.11 0.00 -1.16 -4.91 105.19 111.00 2kpw n GLY 95 Ca -0.04 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2kpw n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kpw n THR 96 N -4.40 1.55 0.00 2.61 -2.24 -0.26 -4.89 114.28 106.65 2kpw n THR 96 Ca -0.30 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 2kpw n THR 96 Cb 0.68 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 2kpw n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kpw n GLY 97 N 1.76 1.95 3.75 3.38 0.00 -1.15 -4.98 105.19 109.90 2kpw n GLY 97 Ca -0.46 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 2kpw n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpw s GLU 98 N 0.00 3.03 0.10 1.61 0.41 -1.26 -4.92 118.70 117.66 2kpw s GLU 98 Ca 0.00 2.04 -0.31 0.00 -0.41 0.00 0.00 54.97 56.29 2kpw s GLU 98 Cb 0.00 -2.09 -0.09 0.00 -1.78 0.00 0.00 34.13 30.17 2kpw s GLU 98 CO 0.00 -1.22 1.64 0.16 -0.49 0.00 0.00 175.26 175.35 2kpw s ASP 99 N -1.26 6.59 0.01 -0.19 -4.77 -1.26 -5.01 116.67 110.77 2kpw s ASP 99 Ca 0.75 2.53 0.06 0.00 -3.30 0.00 0.00 52.55 52.60 2kpw s ASP 99 Cb -0.36 -2.57 -0.02 0.00 -1.09 0.00 0.00 42.92 38.88 2kpw s ASP 99 CO 0.41 -0.88 -0.20 0.54 0.70 0.00 0.00 175.17 175.74 2kpw s VAL 100 N 2.24 1.58 -0.11 2.11 0.11 -1.26 -4.64 120.40 120.43 2kpw s VAL 100 Ca 0.73 -0.96 -0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2kpw s VAL 100 Cb -0.41 -1.33 -0.03 0.00 -1.53 0.00 0.00 36.38 33.08 2kpw s VAL 100 CO 0.32 0.35 -0.05 -0.75 -3.33 0.00 0.00 175.10 171.65 2kpw s LYS 101 N -0.71 3.24 0.04 1.54 2.20 -1.19 -1.16 119.74 123.70 2kpw s LYS 101 Ca 0.07 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.22 2kpw s LYS 101 Cb -0.08 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2kpw s LYS 101 CO 0.00 0.45 -0.18 0.08 -0.36 0.00 0.00 175.35 175.35 2kpw s VAL 102 N -0.22 1.42 0.00 4.02 1.01 -0.46 -2.10 120.40 124.06 2kpw s VAL 102 Ca 0.04 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2kpw s VAL 102 Cb -0.13 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 2kpw s VAL 102 CO 0.02 0.14 -0.17 -0.63 0.00 0.00 0.00 175.10 174.46 2kpw s ILE 103 N -0.79 1.38 -0.21 2.22 -1.09 0.94 -1.90 121.20 121.76 2kpw s ILE 103 Ca 0.05 -0.84 -0.02 0.00 -2.23 0.00 0.00 60.65 57.60 2kpw s ILE 103 Cb -0.08 -1.17 -0.00 0.00 -1.58 0.00 0.00 42.46 39.63 2kpw s ILE 103 CO 0.01 0.31 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.19 2kpw s LEU 104 N -0.62 2.69 0.07 2.97 1.43 0.15 -0.49 118.68 124.88 2kpw s LEU 104 Ca 0.06 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2kpw s LEU 104 Cb -0.07 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2kpw s LEU 104 CO -0.00 -0.01 -0.23 -0.54 0.23 0.00 0.00 176.35 175.80 2kpw s LYS 105 N 1.38 1.41 0.54 1.70 1.02 -0.23 -2.03 119.74 123.53 2kpw s LYS 105 Ca 0.05 -1.09 -0.17 0.00 0.02 0.00 0.00 55.97 54.77 2kpw s LYS 105 Cb -0.14 -1.64 -0.06 0.00 -0.52 0.00 0.00 37.83 35.47 2kpw s LYS 105 CO -0.05 0.41 1.02 -0.80 -0.92 0.00 0.00 175.35 175.01 2kpw s ASN 106 N -1.50 6.23 0.00 2.83 -0.87 -0.22 -0.38 114.94 121.04 2kpw s ASN 106 Ca 0.09 1.76 0.02 0.00 -1.57 0.00 0.00 52.86 53.16 2kpw s ASN 106 Cb -0.10 -2.53 0.12 0.00 -0.02 0.00 0.00 41.25 38.73 2kpw s ASN 106 CO 0.03 -0.86 0.53 -0.24 -2.57 0.00 0.00 177.10 173.99 2kpw n SER 107 N -1.58 0.00 -0.91 -1.22 2.88 -1.26 -1.58 113.62 109.96 2kpw n SER 107 Ca 0.08 -0.73 0.12 0.00 -1.33 0.00 0.00 58.87 57.01 2kpw n SER 107 Cb 0.53 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.26 2kpw n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kpw n GLN 108 N -0.58 2.20 -2.09 -1.46 6.02 -1.26 -4.94 117.38 115.27 2kpw n GLN 108 Ca 0.02 -1.80 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 2kpw n GLN 108 Cb 0.01 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.80 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 1.35 0.83 3.07 1.08 0.00 -0.61 -5.07 105.19 105.83 2kpw n GLY 109 Ca 0.18 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.21 2.20 -0.12 1.61 -1.05 -1.19 -5.01 118.70 110.93 2kpw s GLU 110 Ca 0.00 -0.56 -0.19 0.00 -0.15 0.00 0.00 54.97 54.07 2kpw s GLU 110 Cb 0.00 -1.83 -0.04 0.00 -0.44 0.00 0.00 34.13 31.82 2kpw s GLU 110 CO 0.00 -0.02 0.50 -2.00 0.95 0.00 0.00 175.26 174.69 2kpw s GLU 111 N 0.86 4.33 0.07 -4.83 2.12 -1.26 -1.06 118.70 118.93 2kpw s GLU 111 Ca -0.09 0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.71 2kpw s GLU 111 Cb -0.15 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2kpw s GLU 111 CO 0.01 0.12 0.00 0.28 -0.54 0.00 0.00 175.26 175.12 2kpw n VAL 112 N 3.77 0.64 -3.98 3.70 0.31 -0.86 -5.00 118.33 116.90 2kpw n VAL 112 Ca -0.06 0.21 -0.33 0.00 -0.01 0.00 0.00 64.34 64.14 2kpw n VAL 112 Cb 0.51 -1.22 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 2kpw n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kpw s ALA 113 N -2.00 3.80 -0.08 3.52 0.00 -1.11 -4.99 121.76 120.91 2kpw s ALA 113 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2kpw s ALA 113 Cb 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.37 2kpw s ALA 113 CO 0.00 0.72 0.20 1.14 0.00 0.00 0.00 175.76 177.82 2kpw s GLN 114 N -1.79 0.24 -0.28 0.00 -2.07 -1.26 -0.68 119.66 113.82 2kpw s GLN 114 Ca 0.25 0.28 -0.22 0.00 -1.82 0.00 0.00 55.36 53.85 2kpw s GLN 114 Cb -0.12 0.11 0.11 0.00 -1.09 0.00 0.00 33.01 32.03 2kpw s GLN 114 CO 0.16 -0.03 0.93 0.50 -1.32 0.00 0.00 175.29 175.53 2kpw s ARG 115 N 0.11 0.55 0.17 9.60 3.52 -0.80 -4.94 118.95 127.17 2kpw s ARG 115 Ca -0.00 0.74 0.07 0.00 -0.13 0.00 0.00 55.73 56.42 2kpw s ARG 115 Cb -0.01 0.22 -0.04 0.00 -1.56 0.00 0.00 34.95 33.56 2kpw s ARG 115 CO 0.00 -0.08 -0.01 -1.54 -0.81 0.00 0.00 175.30 172.86 2kpw s SER 116 N 0.64 4.70 -0.33 -2.12 1.04 -1.26 -1.35 113.70 115.02 2kpw s SER 116 Ca -0.01 -0.42 -0.28 0.00 0.48 0.00 0.00 55.95 55.72 2kpw s SER 116 Cb -0.05 -0.98 -0.05 0.00 0.10 0.00 0.00 66.02 65.05 2kpw s SER 116 CO -0.08 0.09 2.15 0.42 0.98 0.00 0.00 173.24 176.80 2kpw s THR 117 N -1.72 3.13 -0.63 2.02 -4.23 -0.31 -4.88 115.64 109.02 2kpw s THR 117 Ca 0.27 0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.64 2kpw s THR 117 Cb -0.09 -3.21 -0.08 0.00 1.34 0.00 0.00 72.50 70.46 2kpw s THR 117 CO 0.18 -0.15 2.30 0.54 -0.54 0.00 0.00 174.62 176.94 2kpw s VAL 118 N 8.96 3.09 0.23 2.29 0.11 -1.26 -4.61 120.40 129.22 2kpw s VAL 118 Ca 0.93 -0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.68 2kpw s VAL 118 Cb -0.26 -3.23 -0.09 0.00 -1.53 0.00 0.00 36.38 31.27 2kpw s VAL 118 CO 0.32 -0.22 1.35 0.72 -3.33 0.00 0.00 175.10 173.94 2kpw s PHE 119 N 12.39 3.16 -0.05 1.54 -0.71 -1.26 -5.03 117.98 128.03 2kpw s PHE 119 Ca 0.90 1.19 0.06 0.00 -1.04 0.00 0.00 56.93 58.04 2kpw s PHE 119 Cb -0.14 -3.68 -0.01 0.00 -1.21 0.00 0.00 43.02 37.98 2kpw s PHE 119 CO 0.18 -2.11 -0.23 0.21 -1.34 0.00 0.00 175.22 171.93 2kpw s LYS 120 N -0.44 2.29 -0.36 1.99 2.20 -1.26 -5.09 119.74 119.07 2kpw s LYS 120 Ca 0.56 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2kpw s LYS 120 Cb -0.39 -1.99 0.12 0.00 -1.51 0.00 0.00 37.83 34.06 2kpw s LYS 120 CO 0.42 0.37 0.16 0.95 -0.36 0.00 0.00 175.35 176.89 2kpw s THR 121 N -0.18 0.97 0.00 3.43 -4.23 -1.26 -5.25 115.64 109.12 2kpw s THR 121 Ca -0.02 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2kpw s THR 121 Cb -0.13 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.00 2kpw s THR 121 CO 0.03 -0.78 0.33 0.41 -0.54 0.00 0.00 174.62 174.07