#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpw s GLY 2 N 0.00 2.15 -0.20 -5.12 0.00 -1.26 -4.79 107.32 98.10 2kpw s GLY 2 Ca 0.00 -2.89 0.16 0.00 0.00 0.00 0.00 44.72 41.98 2kpw s GLY 2 CO 0.00 1.74 1.71 -2.39 0.00 0.00 0.00 173.10 174.16 2kpw n HIS 3 N 5.71 1.89 -3.60 1.90 -0.00 -1.26 -4.96 115.22 114.91 2kpw n HIS 3 Ca 0.18 -0.70 -0.08 0.00 -0.00 0.00 0.00 57.72 57.12 2kpw n HIS 3 Cb 0.48 -0.43 -0.05 0.00 -0.00 0.00 0.00 29.99 29.99 2kpw n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kpw s HIS 4 N -2.49 -0.30 0.47 -1.40 -0.00 -1.26 -5.18 115.29 105.13 2kpw s HIS 4 Ca 0.54 0.56 -0.08 0.00 -0.00 0.00 0.00 55.06 56.07 2kpw s HIS 4 Cb 0.39 0.45 -0.05 0.00 -0.00 0.00 0.00 32.58 33.37 2kpw s HIS 4 CO 0.19 -0.26 0.82 -1.58 -0.00 0.00 0.00 174.74 173.91 2kpw s HIS 5 N -0.90 3.53 0.31 0.38 5.65 -1.26 -5.10 115.29 117.91 2kpw s HIS 5 Ca 0.01 0.98 0.07 0.00 0.25 0.00 0.00 55.06 56.38 2kpw s HIS 5 Cb -0.01 -2.42 -0.03 0.00 -1.18 0.00 0.00 32.58 28.94 2kpw s HIS 5 CO -0.02 -0.27 0.27 -1.01 -0.65 0.00 0.00 174.74 173.06 2kpw s HIS 6 N -2.65 2.97 -0.30 3.88 0.09 -1.26 -5.13 115.29 112.89 2kpw s HIS 6 Ca 0.50 -0.25 -0.11 0.00 -0.00 0.00 0.00 55.06 55.20 2kpw s HIS 6 Cb -0.10 -1.68 0.16 0.00 -0.00 0.00 0.00 32.58 30.95 2kpw s HIS 6 CO 0.40 0.28 0.85 -1.58 -0.00 0.00 0.00 174.74 174.70 2kpw s HIS 7 N -2.25 -0.97 -0.43 1.40 5.65 -1.26 -5.14 115.29 112.29 2kpw s HIS 7 Ca 0.39 1.46 -0.26 0.00 0.25 0.00 0.00 55.06 56.89 2kpw s HIS 7 Cb -0.06 0.50 0.02 0.00 -1.18 0.00 0.00 32.58 31.86 2kpw s HIS 7 CO 0.26 -0.50 0.97 -1.01 -0.65 0.00 0.00 174.74 173.81 2kpw s HIS 8 N 2.70 2.97 -0.10 3.88 0.09 -1.26 -5.00 115.29 118.57 2kpw s HIS 8 Ca 0.01 0.60 -0.23 0.00 -0.00 0.00 0.00 55.06 55.44 2kpw s HIS 8 Cb -0.10 -3.93 0.05 0.00 -0.00 0.00 0.00 32.58 28.61 2kpw s HIS 8 CO -0.17 -1.02 0.55 -1.12 -0.00 0.00 0.00 174.74 172.98 2kpw s SER 9 N 2.14 -0.52 -1.15 1.40 0.01 -1.26 -5.10 113.70 109.23 2kpw s SER 9 Ca 0.40 0.71 -0.19 0.00 1.31 0.00 0.00 55.95 58.17 2kpw s SER 9 Cb -0.10 0.69 0.08 0.00 0.21 0.00 0.00 66.02 66.90 2kpw s SER 9 CO 0.24 -0.43 1.53 -1.00 0.41 0.00 0.00 173.24 173.99 2kpw s HIS 10 N -0.73 2.82 -1.14 2.43 0.09 -1.26 -4.91 115.29 112.59 2kpw s HIS 10 Ca -0.08 -1.39 -0.19 0.00 -0.00 0.00 0.00 55.06 53.40 2kpw s HIS 10 Cb -0.03 -4.63 -0.05 0.00 -0.00 0.00 0.00 32.58 27.87 2kpw s HIS 10 CO 0.05 -1.77 1.98 -1.33 -0.00 0.00 0.00 174.74 173.68 2kpw n MET 11 N 8.04 2.20 -3.82 1.40 0.00 -1.26 -4.54 117.12 119.13 2kpw n MET 11 Ca 0.39 -2.42 -0.06 0.00 0.00 0.00 0.00 57.70 55.61 2kpw n MET 11 Cb 0.48 -3.27 -0.01 0.00 0.00 0.00 0.00 33.22 30.41 2kpw n MET 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2kpw s THR 12 N 5.44 0.00 -0.02 2.03 -1.32 -0.90 -4.11 115.64 116.77 2kpw s THR 12 Ca 0.56 -0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 59.87 2kpw s THR 12 Cb 0.10 -2.10 0.12 0.00 -1.51 0.00 0.00 72.50 69.11 2kpw s THR 12 CO 0.05 0.00 1.22 -0.83 -2.21 0.00 0.00 174.62 172.86 2kpw s GLY 13 N -2.96 -0.37 -1.42 6.08 0.00 -1.26 -4.07 107.32 103.31 2kpw s GLY 13 Ca 0.12 0.76 -0.11 0.00 0.00 0.00 0.00 44.72 45.49 2kpw s GLY 13 CO 0.06 0.17 2.27 -2.01 0.00 0.00 0.00 173.10 173.58 2kpw n ASN 14 N -0.42 5.50 -4.80 1.64 4.05 -1.26 -4.94 115.26 115.02 2kpw n ASN 14 Ca -0.07 -2.91 -0.36 0.00 0.45 0.00 0.00 54.58 51.69 2kpw n ASN 14 Cb 0.62 -1.56 -0.07 0.00 1.23 0.00 0.00 39.78 40.00 2kpw n ASN 14 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2kpw s VAL 15 N 1.74 5.40 0.04 3.44 0.11 -1.26 -1.46 120.40 128.40 2kpw s VAL 15 Ca 0.49 0.32 0.06 0.00 -2.93 0.00 0.00 61.98 59.92 2kpw s VAL 15 Cb 0.14 -3.49 -0.02 0.00 -1.53 0.00 0.00 36.38 31.48 2kpw s VAL 15 CO -0.06 0.52 -0.16 0.00 -3.33 0.00 0.00 175.10 172.08 2kpw s ILE 17 N -0.83 3.46 0.05 0.00 1.01 -1.26 0.23 121.20 123.86 2kpw s ILE 17 Ca 0.03 0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.58 2kpw s ILE 17 Cb -0.08 -4.22 -0.18 0.00 0.01 0.00 0.00 42.46 37.99 2kpw s ILE 17 CO 0.01 -1.18 1.48 -0.08 0.00 0.00 0.00 174.94 175.17 2kpw h GLU 18 N 13.39 -0.82 -1.76 2.79 4.81 -1.63 -3.48 114.58 127.89 2kpw h GLU 18 Ca -0.24 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2kpw h GLU 18 Cb 1.12 0.19 -0.23 0.00 0.63 0.00 0.00 28.75 30.46 2kpw h GLU 18 CO 1.24 -0.52 0.35 -2.00 -0.73 0.00 0.00 179.01 177.35 2kpw s GLU 19 N -5.60 0.70 -0.12 1.92 2.12 -1.20 -5.08 118.70 111.44 2kpw s GLU 19 Ca -0.17 0.55 -0.06 0.00 0.36 0.00 0.00 54.97 55.66 2kpw s GLU 19 Cb 0.03 0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.71 2kpw s GLU 19 CO 0.58 -0.14 0.10 0.42 -0.54 0.00 0.00 175.26 175.67 2kpw s ILE 20 N -0.24 5.14 0.28 -3.70 1.01 -1.26 -2.05 121.20 120.38 2kpw s ILE 20 Ca -0.01 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 2kpw s ILE 20 Cb -0.03 -3.23 -0.12 0.00 0.01 0.00 0.00 42.46 39.09 2kpw s ILE 20 CO -0.00 0.60 1.50 -0.67 0.00 0.00 0.00 174.94 176.37 2kpw n ASP 21 N 2.19 3.37 0.21 3.58 2.03 -0.59 -4.90 116.55 122.44 2kpw n ASP 21 Ca -0.19 1.15 0.07 0.00 0.52 0.00 0.00 54.79 56.35 2kpw n ASP 21 Cb 0.54 -1.53 0.45 0.00 -0.72 0.00 0.00 41.12 39.86 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 3.16 0.81 0.00 5.18 3.04 -1.97 -2.64 116.25 123.82 2kpw h VAL 22 Ca -0.46 -1.20 -0.13 0.00 -1.01 0.00 0.00 66.70 63.89 2kpw h VAL 22 Cb 1.25 1.74 -0.02 0.00 -2.01 0.00 0.00 31.29 32.24 2kpw h VAL 22 CO 0.76 0.29 -0.95 -0.78 -1.01 0.00 0.00 177.57 175.88 2kpw h ASP 23 N 0.00 0.00 -0.00 3.17 3.58 -1.96 -3.42 116.42 117.79 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 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2kpw h ASP 23 CO 0.04 0.53 0.00 0.61 -2.88 0.00 0.00 179.24 177.54 2kpw n GLY 24 N 1.31 1.89 0.12 -0.78 0.00 -1.00 -3.16 105.19 103.57 2kpw n GLY 24 Ca -0.03 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.92 0.65 -4.03 1.61 5.02 -1.26 -2.45 118.16 116.78 2kpw n LYS 25 Ca 0.00 0.43 -0.08 0.00 -2.02 0.00 0.00 58.31 56.64 2kpw n LYS 25 Cb 0.01 -1.72 -0.09 0.00 -0.02 0.00 0.00 35.03 33.21 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 -2.45 0.47 -0.16 2.13 -0.12 -1.26 -1.08 117.98 115.51 2kpw s PHE 26 Ca -0.26 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 55.68 2kpw s PHE 26 Cb 0.06 -0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 2kpw s PHE 26 CO 0.67 -0.48 -0.17 0.42 -0.05 0.00 0.00 175.22 175.62 2kpw s ILE 27 N -3.93 2.49 -0.38 -4.49 1.01 -0.58 -1.55 121.20 113.77 2kpw s ILE 27 Ca 0.10 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2kpw s ILE 27 Cb 0.07 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.52 2kpw s ILE 27 CO -0.07 0.52 0.22 -0.60 0.00 0.00 0.00 174.94 175.00 2kpw s ARG 28 N 0.97 2.82 0.36 2.79 3.52 -0.87 -0.42 118.95 128.14 2kpw s ARG 28 Ca -0.02 -1.09 -0.06 0.00 -0.13 0.00 0.00 55.73 54.43 2kpw s ARG 28 Cb -0.15 -3.76 -0.05 0.00 -1.56 0.00 0.00 34.95 29.43 2kpw s ARG 28 CO -0.03 -0.72 0.66 -0.51 -0.81 0.00 0.00 175.30 173.89 2kpw s LEU 29 N 1.56 3.91 -0.18 -0.88 1.02 0.17 -1.69 118.68 122.59 2kpw s LEU 29 Ca 0.02 0.85 -0.04 0.00 0.02 0.00 0.00 54.13 54.98 2kpw s LEU 29 Cb -0.19 -3.72 0.08 0.00 0.02 0.00 0.00 46.19 42.38 2kpw s LEU 29 CO 0.07 -0.34 0.17 -0.75 0.02 0.00 0.00 176.35 175.53 2kpw s LYS 30 N -3.93 0.13 -0.54 1.70 2.20 0.14 -0.85 119.74 118.60 2kpw s LYS 30 Ca 0.46 0.14 -0.24 0.00 -0.36 0.00 0.00 55.97 55.98 2kpw s LYS 30 Cb -0.10 -1.33 0.04 0.00 -1.51 0.00 0.00 37.83 34.93 2kpw s LYS 30 CO 0.34 -0.63 0.91 1.21 -0.36 0.00 0.00 175.35 176.82 2kpw s ASN 31 N 2.26 6.34 -0.51 1.43 2.47 -0.59 -0.42 114.94 125.92 2kpw s ASN 31 Ca 0.05 -0.37 0.02 0.00 0.42 0.00 0.00 52.86 52.98 2kpw s ASN 31 Cb -0.15 -2.42 0.45 0.00 -1.45 0.00 0.00 41.25 37.67 2kpw s ASN 31 CO -0.10 -1.18 1.64 1.07 -3.72 0.00 0.00 177.10 174.81 2kpw n THR 32 N 6.15 3.11 -2.11 -5.21 5.66 -0.54 -0.53 114.28 120.82 2kpw n THR 32 Ca 0.01 -3.62 -0.28 0.00 -3.05 0.00 0.00 64.05 57.11 2kpw n THR 32 Cb 0.47 -1.16 0.15 0.00 -1.55 0.00 0.00 70.33 68.24 2kpw n THR 32 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kpw s SER 33 N -2.62 3.68 0.00 1.09 1.04 -1.25 -4.88 113.70 110.76 2kpw s SER 33 Ca 0.58 0.18 0.26 0.00 0.48 0.00 0.00 55.95 57.44 2kpw s SER 33 Cb 0.46 -0.39 0.67 0.00 0.10 0.00 0.00 66.02 66.86 2kpw s SER 33 CO -0.01 -2.35 1.52 -0.62 0.98 0.00 0.00 173.24 172.75 2kpw n GLU 34 N -3.43 0.42 -3.77 4.02 1.02 -1.26 -4.63 120.64 113.01 2kpw n GLU 34 Ca 0.14 -0.24 -0.11 0.00 -0.02 0.00 0.00 57.16 56.93 2kpw n GLU 34 Cb 0.60 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.75 0.83 -0.24 3.49 0.74 -1.26 -4.97 119.66 115.51 2kpw s GLN 35 Ca 0.18 -0.63 -0.28 0.00 0.05 0.00 0.00 55.36 54.68 2kpw s GLN 35 Cb 0.18 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.61 2kpw s GLN 35 CO 0.60 -0.27 2.04 -0.51 -0.55 0.00 0.00 175.29 176.61 2kpw s ASP 36 N -2.31 5.68 -0.15 6.67 1.11 -1.26 -4.51 116.67 121.90 2kpw s ASP 36 Ca -0.02 1.73 -0.17 0.00 0.18 0.00 0.00 52.55 54.27 2kpw s ASP 36 Cb 0.01 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 2kpw s ASP 36 CO -0.06 -1.81 0.42 -1.10 1.18 0.00 0.00 175.17 173.80 2kpw s GLN 37 N 5.96 4.28 -0.25 8.23 -1.52 0.61 -4.85 119.66 132.12 2kpw s GLN 37 Ca 0.92 0.31 -0.29 0.00 -1.95 0.00 0.00 55.36 54.36 2kpw s GLN 37 Cb -0.30 -3.46 0.01 0.00 -0.22 0.00 0.00 33.01 29.05 2kpw s GLN 37 CO 0.35 0.13 1.03 -1.25 -0.25 0.00 0.00 175.29 175.30 2kpw s PRO 38 N 0.75 4.22 0.06 2.91 0.04 -1.26 -0.17 135.00 141.55 2kpw s PRO 38 Ca 0.22 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.27 2kpw s PRO 38 Cb -0.14 -3.66 -0.17 0.00 0.04 0.00 0.00 34.50 30.57 2kpw s PRO 38 CO 0.08 -0.67 1.55 1.98 0.04 0.00 0.00 177.00 179.97 2kpw h MET 39 N 7.59 -0.36 0.00 4.56 4.05 -1.87 -2.38 114.93 126.52 2kpw h MET 39 Ca -0.20 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 2kpw h MET 39 Cb 1.06 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.94 2kpw h MET 39 CO 0.98 -0.16 0.00 0.41 0.23 0.00 0.00 176.91 178.37 2kpw n GLY 40 N -0.92 1.85 2.67 1.39 0.00 -1.26 -3.92 105.19 105.00 2kpw n GLY 40 Ca -0.10 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.20 3.50 -0.02 0.00 -1.26 -1.92 105.19 104.29 2kpw n GLY 41 Ca 0.00 0.72 -0.28 0.00 0.00 0.00 0.00 46.02 46.46 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 0.07 1.39 -0.17 1.61 0.52 -1.25 -4.20 118.94 116.91 2kpw s TRP 42 Ca 0.20 1.11 -0.01 0.00 0.02 0.00 0.00 56.10 57.41 2kpw s TRP 42 Cb 0.29 -3.11 0.05 0.00 -1.15 0.00 0.00 33.47 29.55 2kpw s TRP 42 CO -0.18 -3.86 -0.03 -2.00 0.02 0.00 0.00 176.95 170.91 2kpw s GLU 43 N -4.52 1.20 -0.38 4.98 2.12 -0.69 -0.73 118.70 120.68 2kpw s GLU 43 Ca 0.68 -0.48 -0.17 0.00 0.36 0.00 0.00 54.97 55.36 2kpw s GLU 43 Cb -0.24 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.17 2kpw s GLU 43 CO 0.64 -0.48 0.45 1.41 -0.54 0.00 0.00 175.26 176.74 2kpw s MET 44 N 1.69 3.42 -0.45 4.30 -2.45 0.44 -2.49 119.30 123.76 2kpw s MET 44 Ca 0.00 -0.43 -0.22 0.00 -1.25 0.00 0.00 55.69 53.79 2kpw s MET 44 Cb -0.16 -3.87 0.03 0.00 1.25 0.00 0.00 34.83 32.08 2kpw s MET 44 CO -0.07 -0.70 0.70 0.42 1.05 0.00 0.00 175.02 176.42 2kpw s ILE 45 N 2.24 4.75 -0.51 10.11 1.09 -0.24 -0.53 121.20 138.10 2kpw s ILE 45 Ca 0.15 0.22 -0.18 0.00 -1.10 0.00 0.00 60.65 59.74 2kpw s ILE 45 Cb -0.16 -4.26 0.07 0.00 -1.06 0.00 0.00 42.46 37.05 2kpw s ILE 45 CO 0.13 -0.66 0.57 -0.60 -0.10 0.00 0.00 174.94 174.28 2kpw s ARG 46 N 3.02 3.07 0.49 2.79 3.52 0.85 -0.39 118.95 132.31 2kpw s ARG 46 Ca 0.25 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 2kpw s ARG 46 Cb -0.13 -4.14 0.01 0.00 -1.56 0.00 0.00 34.95 29.13 2kpw s ARG 46 CO 0.20 -1.22 0.72 0.15 -0.81 0.00 0.00 175.30 174.34 2kpw s LYS 47 N 2.34 2.89 0.15 5.12 1.02 0.70 -2.19 119.74 129.77 2kpw s LYS 47 Ca 0.11 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2kpw s LYS 47 Cb -0.22 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2kpw s LYS 47 CO 0.09 -0.44 0.00 1.51 -0.92 0.00 0.00 175.35 175.60 2kpw n ILE 48 N -2.20 0.00 -3.58 2.17 3.06 -1.25 -0.62 119.36 116.94 2kpw n ILE 48 Ca 0.04 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.29 2kpw n ILE 48 Cb 0.58 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.70 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 -2.00 0.29 0.00 4.50 0.00 -1.26 -4.39 107.32 104.46 2kpw s GLY 49 Ca 0.00 3.50 0.00 0.00 0.00 0.00 0.00 44.72 48.22 2kpw s GLY 49 CO 0.00 2.81 0.00 1.34 0.00 0.00 0.00 173.10 177.25 2kpw n ASP 50 N 3.62 0.00 -3.15 1.64 2.03 -1.26 -4.75 116.55 114.69 2kpw n ASP 50 Ca -0.16 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.02 2kpw n ASP 50 Cb 0.56 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.95 2kpw n ASP 50 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2kpw n THR 51 N 0.00 0.00 -3.49 5.18 5.66 -1.26 -5.17 114.28 115.20 2kpw n THR 51 Ca 0.00 -0.97 -0.12 0.00 -3.05 0.00 0.00 64.05 59.91 2kpw n THR 51 Cb 0.00 -0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 2kpw n THR 51 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kpw s SER 52 N -2.24 -0.49 0.02 1.09 1.04 -1.26 -3.97 113.70 107.89 2kpw s SER 52 Ca 0.05 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.67 2kpw s SER 52 Cb -0.00 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 2kpw s SER 52 CO 0.03 -0.71 -0.04 0.54 0.98 0.00 0.00 173.24 174.04 2kpw s VAL 53 N -2.75 0.25 0.29 5.02 0.11 -0.93 -5.00 120.40 117.39 2kpw s VAL 53 Ca -0.00 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 58.41 2kpw s VAL 53 Cb -0.01 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2kpw s VAL 53 CO -0.06 -0.31 0.04 -0.94 -3.33 0.00 0.00 175.10 170.50 2kpw s SER 54 N -1.10 4.56 -0.03 3.54 1.04 -1.26 -0.10 113.70 120.34 2kpw s SER 54 Ca -0.09 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.64 2kpw s SER 54 Cb -0.07 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.28 2kpw s SER 54 CO -0.00 -0.10 -0.02 -0.47 0.98 0.00 0.00 173.24 173.63 2kpw s TYR 55 N -2.37 0.48 0.02 5.02 5.04 0.31 -4.95 117.35 120.90 2kpw s TYR 55 Ca 0.33 -0.08 -0.07 0.00 -2.44 0.00 0.00 57.07 54.81 2kpw s TYR 55 Cb -0.05 -0.50 -0.05 0.00 0.35 0.00 0.00 41.96 41.72 2kpw s TYR 55 CO 0.21 -0.15 0.29 0.21 -1.34 0.00 0.00 175.55 174.77 2kpw s LYS 56 N 0.94 3.61 0.73 4.97 2.20 -1.26 -0.42 119.74 130.51 2kpw s LYS 56 Ca -0.11 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 2kpw s LYS 56 Cb -0.14 -3.07 0.14 0.00 -1.51 0.00 0.00 37.83 33.26 2kpw s LYS 56 CO -0.01 0.63 1.00 0.71 -0.36 0.00 0.00 175.35 177.32 2kpw s TYR 57 N -1.31 1.22 0.05 4.03 1.51 0.09 -4.98 117.35 117.96 2kpw s TYR 57 Ca 0.28 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2kpw s TYR 57 Cb -0.13 -2.86 -0.03 0.00 -0.11 0.00 0.00 41.96 38.83 2kpw s TYR 57 CO 0.16 -1.78 -0.05 -0.08 -1.11 0.00 0.00 175.55 172.70 2kpw s THR 58 N -3.12 0.35 -1.06 -0.71 -1.32 -1.25 -4.48 115.64 104.04 2kpw s THR 58 Ca 0.67 -1.48 -0.21 0.00 -1.21 0.00 0.00 61.69 59.46 2kpw s THR 58 Cb -0.04 -1.08 0.08 0.00 -1.51 0.00 0.00 72.50 69.95 2kpw s THR 58 CO 0.44 -0.74 1.44 -0.44 -2.21 0.00 0.00 174.62 173.11 2kpw s SER 59 N -2.35 6.62 0.00 8.08 0.01 -0.81 -4.52 113.70 120.73 2kpw s SER 59 Ca -0.01 -1.84 0.00 0.00 1.31 0.00 0.00 55.95 55.42 2kpw s SER 59 Cb -0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2kpw s SER 59 CO -0.05 -1.32 0.34 -2.11 0.41 0.00 0.00 173.24 170.52 2kpw n ARG 60 N 8.16 0.00 -3.56 12.44 1.85 -1.26 -5.03 116.66 129.26 2kpw n ARG 60 Ca 0.34 -0.34 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 2kpw n ARG 60 Cb 0.49 -0.46 -0.06 0.00 -1.05 0.00 0.00 32.46 31.39 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 0.00 -0.55 -0.13 2.89 1.13 -1.26 -4.93 117.35 114.49 2kpw s TYR 61 Ca 0.00 1.04 -0.02 0.00 -1.41 0.00 0.00 57.07 56.68 2kpw s TYR 61 Cb 0.00 0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 2kpw s TYR 61 CO 0.00 -0.45 -0.08 0.08 -2.51 0.00 0.00 175.55 172.58 2kpw s VAL 62 N -0.87 3.50 -0.55 -3.49 1.01 -1.26 -4.04 120.40 114.71 2kpw s VAL 62 Ca -0.05 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 2kpw s VAL 62 Cb -0.01 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2kpw s VAL 62 CO 0.05 0.52 1.28 -0.76 0.00 0.00 0.00 175.10 176.19 2kpw s LEU 63 N 0.22 3.46 0.83 3.92 1.43 0.76 -4.85 118.68 124.45 2kpw s LEU 63 Ca -0.05 0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 2kpw s LEU 63 Cb -0.15 -3.20 0.09 0.00 0.03 0.00 0.00 46.19 42.96 2kpw s LEU 63 CO 0.04 -1.53 1.09 -0.54 0.23 0.00 0.00 176.35 175.64 2kpw s LYS 64 N 5.09 1.78 -0.20 1.70 1.02 -1.26 -0.29 119.74 127.59 2kpw s LYS 64 Ca 0.48 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 2kpw s LYS 64 Cb -0.09 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2kpw s LYS 64 CO 0.27 -1.85 1.92 0.00 -0.92 0.00 0.00 175.35 174.77 2kpw s ALA 65 N -3.07 3.05 0.00 5.17 0.00 -1.26 -1.52 121.76 124.13 2kpw s ALA 65 Ca 0.62 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2kpw s ALA 65 Cb -0.16 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2kpw s ALA 65 CO 0.55 -2.32 0.00 0.41 0.00 0.00 0.00 175.76 174.40 2kpw n GLY 66 N 5.18 0.80 3.66 0.00 0.00 0.31 -4.99 105.19 110.15 2kpw n GLY 66 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.64 4.24 0.20 1.61 2.00 -0.58 -4.87 119.66 121.61 2kpw s GLN 67 Ca 0.00 0.86 -0.06 0.00 -2.00 0.00 0.00 55.36 54.16 2kpw s GLN 67 Cb 0.00 -3.60 -0.06 0.00 0.80 0.00 0.00 33.01 30.15 2kpw s GLN 67 CO 0.00 -0.36 0.47 0.95 -0.50 0.00 0.00 175.29 175.85 2kpw s THR 68 N 2.28 5.06 -0.05 -0.34 -4.23 -1.26 -1.54 115.64 115.55 2kpw s THR 68 Ca 0.34 0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 61.04 2kpw s THR 68 Cb -0.16 -3.64 0.03 0.00 1.34 0.00 0.00 72.50 70.07 2kpw s THR 68 CO 0.10 -0.06 -0.01 0.54 -0.54 0.00 0.00 174.62 174.66 2kpw s VAL 69 N -1.78 0.36 -0.20 2.29 0.11 -0.03 -4.90 120.40 116.25 2kpw s VAL 69 Ca 0.44 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 59.48 2kpw s VAL 69 Cb -0.12 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2kpw s VAL 69 CO 0.24 0.22 0.07 -0.89 -3.33 0.00 0.00 175.10 171.42 2kpw s THR 70 N 1.52 4.75 -0.55 5.04 2.01 -1.26 -0.65 115.64 126.50 2kpw s THR 70 Ca -0.02 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.78 2kpw s THR 70 Cb -0.13 -3.16 0.13 0.00 0.01 0.00 0.00 72.50 69.35 2kpw s THR 70 CO -0.03 0.43 0.53 -0.63 -0.69 0.00 0.00 174.62 174.23 2kpw s ILE 71 N 0.66 5.17 -0.24 1.82 -1.09 0.44 -0.89 121.20 127.07 2kpw s ILE 71 Ca 0.04 -1.47 -0.26 0.00 -2.23 0.00 0.00 60.65 56.73 2kpw s ILE 71 Cb -0.13 -4.36 -0.00 0.00 -1.58 0.00 0.00 42.46 36.39 2kpw s ILE 71 CO 0.02 -0.90 0.89 0.26 -1.23 0.00 0.00 174.94 173.97 2kpw s TRP 72 N 1.69 3.31 -1.18 3.97 0.52 0.06 -1.53 118.94 125.78 2kpw s TRP 72 Ca 0.04 1.21 -0.21 0.00 0.02 0.00 0.00 56.10 57.16 2kpw s TRP 72 Cb -0.29 -3.13 -0.01 0.00 -1.15 0.00 0.00 33.47 28.89 2kpw s TRP 72 CO 0.03 -0.44 1.81 0.00 0.02 0.00 0.00 176.95 178.37 2kpw s ALA 73 N 2.97 2.45 0.00 0.98 0.00 -0.24 0.20 121.76 128.11 2kpw s ALA 73 Ca 0.37 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.95 2kpw s ALA 73 Cb -0.15 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.33 2kpw s ALA 73 CO 0.07 -4.30 0.00 0.00 0.00 0.00 0.00 175.76 171.53 2kpw n ALA 74 N 11.54 0.00 -2.13 0.00 0.00 -1.03 -0.86 120.51 128.03 2kpw n ALA 74 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 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 -0.80 0.00 0.00 0.00 177.50 176.70 2kpw s ASN 75 N -1.35 5.36 0.00 0.00 0.01 -1.26 -4.48 114.94 113.23 2kpw s ASN 75 Ca 0.00 -0.78 0.00 0.00 -0.71 0.00 0.00 52.86 51.37 2kpw s ASN 75 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2kpw s ASN 75 CO 0.00 -2.54 0.00 0.00 -1.51 0.00 0.00 177.10 173.05 2kpw n ALA 76 N 13.15 2.00 0.00 0.60 0.00 -1.26 -4.80 120.51 130.20 2kpw n ALA 76 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2kpw n ALA 76 Cb 0.48 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 2.19 2.76 3.74 0.00 0.00 -1.26 -5.03 105.19 107.58 2kpw n GLY 77 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kpw n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kpw s VAL 78 N -1.47 2.90 0.12 1.61 1.01 -1.26 -4.94 120.40 118.37 2kpw s VAL 78 Ca 0.00 0.31 -0.35 0.00 0.00 0.00 0.00 61.98 61.94 2kpw s VAL 78 Cb 0.00 -2.66 -0.15 0.00 0.00 0.00 0.00 36.38 33.57 2kpw s VAL 78 CO 0.00 -0.37 1.49 0.41 0.00 0.00 0.00 175.10 176.64 2kpw n THR 79 N -3.61 0.02 -1.83 3.92 -1.04 -1.26 -4.86 114.28 105.62 2kpw n THR 79 Ca 0.10 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.68 2kpw n THR 79 Cb 0.52 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.86 2.89 -0.44 2.41 0.00 -1.26 -3.92 121.76 122.31 2kpw s ALA 80 Ca 0.82 0.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 2kpw s ALA 80 Cb -0.80 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.31 2kpw s ALA 80 CO 0.42 -2.56 0.44 0.43 0.00 0.00 0.00 175.76 174.49 2kpw n SER 81 N 10.51 -5.72 -4.28 0.00 7.64 -1.26 -4.94 113.62 115.56 2kpw n SER 81 Ca 0.25 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.81 2kpw n SER 81 Cb 0.46 -3.76 0.15 0.00 -1.01 0.00 0.00 64.21 60.04 2kpw n SER 81 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2kpw n PRO 82 N -1.33 -1.16 -2.44 1.43 -0.02 -1.15 -4.95 135.00 125.38 2kpw n PRO 82 Ca 0.01 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 2kpw n PRO 82 Cb 0.47 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 -1.58 -0.66 0.00 0.52 -0.02 -1.26 -4.62 135.00 127.38 2kpw n PRO 83 Ca 0.02 -0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 2kpw n PRO 83 Cb 0.61 0.59 0.00 0.00 -0.02 0.00 0.00 33.50 34.68 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 -0.60 0.00 -3.15 3.45 5.66 -1.26 -5.11 114.28 113.28 2kpw n THR 84 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kpw n THR 84 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2kpw n THR 84 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2kpw n ASP 85 N 0.00 0.37 -3.88 1.09 8.00 -1.26 -4.66 116.55 116.21 2kpw n ASP 85 Ca 0.00 -0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.24 2kpw n ASP 85 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2kpw n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2kpw s LEU 86 N 0.00 1.81 -0.22 0.64 1.43 -0.07 -2.95 118.68 119.32 2kpw s LEU 86 Ca 0.00 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 2kpw s LEU 86 Cb 0.00 0.30 -0.03 0.00 0.03 0.00 0.00 46.19 46.49 2kpw s LEU 86 CO 0.00 -0.15 0.04 -0.63 0.23 0.00 0.00 176.35 175.84 2kpw s ILE 87 N -0.57 4.27 -0.86 -0.59 1.09 -1.26 -0.76 121.20 122.52 2kpw s ILE 87 Ca -0.06 -0.20 -0.25 0.00 -1.10 0.00 0.00 60.65 59.04 2kpw s ILE 87 Cb -0.04 -2.96 -0.05 0.00 -1.06 0.00 0.00 42.46 38.35 2kpw s ILE 87 CO 0.00 0.40 1.97 0.86 -0.10 0.00 0.00 174.94 178.07 2kpw s TRP 88 N 1.11 1.75 -0.94 3.97 -0.11 0.13 -4.70 118.94 120.15 2kpw s TRP 88 Ca 0.03 0.73 0.00 0.00 1.22 0.00 0.00 56.10 58.09 2kpw s TRP 88 Cb -0.14 -4.01 0.02 0.00 -1.50 0.00 0.00 33.47 27.84 2kpw s TRP 88 CO 0.03 -1.80 0.56 1.63 -4.62 0.00 0.00 176.95 172.75 2kpw n LYS 89 N 8.89 1.11 0.00 5.86 5.02 -1.26 -2.47 118.16 135.30 2kpw n LYS 89 Ca 0.39 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2kpw n LYS 89 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.04 0.55 -3.64 4.39 5.03 -1.26 -5.06 115.26 115.31 2kpw n ASN 90 Ca 0.01 -1.00 -0.05 0.00 0.87 0.00 0.00 54.58 54.41 2kpw n ASN 90 Cb 0.29 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.99 2kpw n ASN 90 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2kpw s GLN 91 N -0.00 0.64 0.72 3.52 -0.44 -1.18 -5.13 119.66 117.79 2kpw s GLN 91 Ca 0.00 1.22 -0.05 0.00 -2.50 0.00 0.00 55.36 54.02 2kpw s GLN 91 Cb 0.00 0.31 0.09 0.00 -1.64 0.00 0.00 33.01 31.77 2kpw s GLN 91 CO 0.00 -0.15 1.01 -0.80 0.50 0.00 0.00 175.29 175.85 2kpw s ASN 92 N 1.92 4.55 -0.08 6.67 -0.87 -1.26 -3.08 114.94 122.79 2kpw s ASN 92 Ca -0.09 0.18 -0.39 0.00 -1.57 0.00 0.00 52.86 50.99 2kpw s ASN 92 Cb -0.06 -0.72 -0.17 0.00 -0.02 0.00 0.00 41.25 40.28 2kpw s ASN 92 CO -0.19 -1.74 1.49 -0.24 -2.57 0.00 0.00 177.10 173.85 2kpw n SER 93 N -2.93 1.81 -0.04 -1.22 2.88 -0.04 -4.83 113.62 109.26 2kpw n SER 93 Ca 0.11 1.11 -0.10 0.00 -1.33 0.00 0.00 58.87 58.65 2kpw n SER 93 Cb 0.60 -1.14 -0.14 0.00 -0.75 0.00 0.00 64.21 62.78 2kpw n SER 93 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2kpw n TRP 94 N 3.62 0.77 -1.77 0.66 2.14 -1.03 -5.03 117.44 116.80 2kpw n TRP 94 Ca 0.22 0.26 -0.02 0.00 2.07 0.00 0.00 57.50 60.04 2kpw n TRP 94 Cb 0.15 -1.14 -0.01 0.00 -0.81 0.00 0.00 31.31 29.50 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 1.65 -3.77 0.92 -1.67 0.00 -1.09 -4.84 105.19 96.39 2kpw n GLY 95 Ca -0.22 0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2kpw n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kpw n THR 96 N 0.59 0.83 -0.34 2.61 5.66 -1.19 -3.95 114.28 118.48 2kpw n THR 96 Ca -0.11 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 60.98 2kpw n THR 96 Cb 0.17 -0.91 0.28 0.00 -1.55 0.00 0.00 70.33 68.32 2kpw n THR 96 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2kpw h GLY 97 N 4.15 1.60 -5.74 1.09 0.00 -1.87 -3.35 103.07 98.94 2kpw h GLY 97 Ca 0.00 -0.39 -0.59 0.00 0.00 0.00 0.00 47.33 46.35 2kpw h GLY 97 CO 0.00 0.10 0.20 -0.54 0.00 0.00 0.00 176.54 176.30 2kpw s GLU 98 N -5.89 4.25 -0.62 4.80 0.41 -1.25 -4.99 118.70 115.41 2kpw s GLU 98 Ca -0.11 0.75 -0.29 0.00 -0.41 0.00 0.00 54.97 54.91 2kpw s GLU 98 Cb 0.23 -3.57 -0.12 0.00 -1.78 0.00 0.00 34.13 28.89 2kpw s GLU 98 CO 0.80 -0.24 2.47 -0.25 -0.49 0.00 0.00 175.26 177.55 2kpw n ASP 99 N 5.01 1.70 -4.76 -0.19 9.92 -1.26 -4.90 116.55 122.07 2kpw n ASP 99 Ca 0.00 -0.16 -0.40 0.00 -0.53 0.00 0.00 54.79 53.70 2kpw n ASP 99 Cb 0.50 -1.34 -0.04 0.00 -0.64 0.00 0.00 41.12 39.60 2kpw n ASP 99 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kpw s VAL 100 N 10.50 3.25 -0.17 2.53 0.11 -1.26 -4.57 120.40 130.78 2kpw s VAL 100 Ca 1.11 1.24 0.00 0.00 -2.93 0.00 0.00 61.98 61.40 2kpw s VAL 100 Cb -0.60 -3.78 0.03 0.00 -1.53 0.00 0.00 36.38 30.50 2kpw s VAL 100 CO 0.36 0.28 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.55 2kpw s LYS 101 N -1.62 2.08 -0.25 1.54 2.20 0.21 -2.24 119.74 121.66 2kpw s LYS 101 Ca 0.47 -0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 55.29 2kpw s LYS 101 Cb -0.34 -2.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.71 2kpw s LYS 101 CO 0.44 -0.34 0.18 0.08 -0.36 0.00 0.00 175.35 175.35 2kpw s VAL 102 N 1.46 5.34 -0.29 4.02 1.01 0.38 -0.21 120.40 132.11 2kpw s VAL 102 Ca 0.02 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 2kpw s VAL 102 Cb -0.15 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2kpw s VAL 102 CO -0.09 0.32 0.12 -0.63 0.00 0.00 0.00 175.10 174.81 2kpw s ILE 103 N 1.25 4.45 -0.46 2.22 -1.09 0.48 -1.75 121.20 126.29 2kpw s ILE 103 Ca 0.08 -0.37 -0.19 0.00 -2.23 0.00 0.00 60.65 57.94 2kpw s ILE 103 Cb -0.14 -3.21 0.04 0.00 -1.58 0.00 0.00 42.46 37.56 2kpw s ILE 103 CO 0.06 0.15 0.56 -0.76 -1.23 0.00 0.00 174.94 173.72 2kpw s LEU 104 N 1.60 4.87 -0.05 2.97 1.43 -0.12 -1.08 118.68 128.30 2kpw s LEU 104 Ca 0.05 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 2kpw s LEU 104 Cb -0.16 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2kpw s LEU 104 CO 0.05 -0.76 -0.15 -0.54 0.23 0.00 0.00 176.35 175.18 2kpw s LYS 105 N 2.47 2.54 1.26 1.70 1.02 -1.04 -1.47 119.74 126.21 2kpw s LYS 105 Ca 0.15 -0.71 -0.18 0.00 0.02 0.00 0.00 55.97 55.26 2kpw s LYS 105 Cb -0.18 -2.38 0.31 0.00 -0.52 0.00 0.00 37.83 35.06 2kpw s LYS 105 CO 0.14 0.59 1.01 -0.80 -0.92 0.00 0.00 175.35 175.37 2kpw s ASN 106 N -0.65 0.33 0.55 2.83 -0.87 0.18 -1.69 114.94 115.62 2kpw s ASN 106 Ca 0.10 1.06 0.25 0.00 -1.57 0.00 0.00 52.86 52.69 2kpw s ASN 106 Cb -0.11 -1.59 1.49 0.00 -0.02 0.00 0.00 41.25 41.02 2kpw s ASN 106 CO 0.01 -4.54 2.08 0.28 -2.57 0.00 0.00 177.10 172.36 2kpw h SER 107 N -2.86 0.00 -0.59 -1.22 0.02 -1.73 -1.26 113.55 105.91 2kpw h SER 107 Ca -0.52 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.37 2kpw h SER 107 Cb 1.33 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 2kpw h SER 107 CO 0.41 0.00 0.08 0.00 -1.14 0.00 0.00 176.83 176.18 2kpw n GLN 108 N -4.16 4.32 0.00 3.45 6.02 -1.26 -4.84 117.38 120.91 2kpw n GLN 108 Ca 0.03 -3.12 0.00 0.00 -0.01 0.00 0.00 57.00 53.90 2kpw n GLN 108 Cb 0.36 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.41 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 0.24 2.71 3.58 1.08 0.00 -0.48 -5.01 105.19 107.31 2kpw n GLY 109 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 2kpw n GLY 109 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kpw n GLU 110 N -0.02 0.73 -4.44 1.61 0.28 -1.26 -4.55 120.64 112.98 2kpw n GLU 110 Ca 0.00 0.29 -0.34 0.00 -0.16 0.00 0.00 57.16 56.95 2kpw n GLU 110 Cb 0.00 -2.06 -0.11 0.00 1.43 0.00 0.00 31.44 30.70 2kpw n GLU 110 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2kpw s GLU 111 N -2.71 3.20 -0.21 3.44 2.12 -1.26 0.51 118.70 123.79 2kpw s GLU 111 Ca 0.74 -0.48 -0.16 0.00 0.36 0.00 0.00 54.97 55.43 2kpw s GLU 111 Cb -0.41 -2.80 -0.09 0.00 0.26 0.00 0.00 34.13 31.09 2kpw s GLU 111 CO 0.49 0.52 -0.26 0.28 -0.54 0.00 0.00 175.26 175.75 2kpw n VAL 112 N 2.70 1.50 -3.86 3.70 0.31 -0.55 -4.93 118.33 117.21 2kpw n VAL 112 Ca -0.18 -0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.03 2kpw n VAL 112 Cb 0.53 -2.15 -0.02 0.00 -0.91 0.00 0.00 33.84 31.29 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 -2.67 -1.22 -0.18 3.52 0.00 -1.21 -5.06 121.76 114.94 2kpw s ALA 113 Ca -0.30 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 2kpw s ALA 113 Cb 0.08 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.09 2kpw s ALA 113 CO 0.44 -1.04 0.46 1.14 0.00 0.00 0.00 175.76 176.76 2kpw s GLN 114 N -3.85 0.49 0.01 0.00 -2.07 -1.26 -0.95 119.66 112.02 2kpw s GLN 114 Ca 0.11 0.76 -0.08 0.00 -1.82 0.00 0.00 55.36 54.34 2kpw s GLN 114 Cb -0.06 0.12 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 2kpw s GLN 114 CO 0.07 -0.11 0.14 0.50 -1.32 0.00 0.00 175.29 174.57 2kpw s ARG 115 N 0.90 0.51 0.41 9.60 3.52 -0.72 -5.01 118.95 128.17 2kpw s ARG 115 Ca -0.05 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.14 2kpw s ARG 115 Cb -0.06 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.54 2kpw s ARG 115 CO -0.07 -0.12 0.08 -1.13 -0.81 0.00 0.00 175.30 173.25 2kpw n SER 116 N 1.35 2.02 -3.24 -2.12 3.41 -1.26 -0.47 113.62 113.30 2kpw n SER 116 Ca -0.22 -3.03 -0.19 0.00 -0.26 0.00 0.00 58.87 55.17 2kpw n SER 116 Cb 0.56 0.71 0.13 0.00 -0.26 0.00 0.00 64.21 65.36 2kpw n SER 116 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2kpw n THR 117 N -0.97 0.00 -4.94 6.66 -2.24 -0.95 -5.00 114.28 106.83 2kpw n THR 117 Ca -0.11 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.71 2kpw n THR 117 Cb 0.58 -1.68 -0.15 0.00 -2.10 0.00 0.00 70.33 66.98 2kpw n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kpw s VAL 118 N -2.90 2.79 -0.79 2.28 1.01 -1.26 -4.97 120.40 116.56 2kpw s VAL 118 Ca 0.49 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 61.43 2kpw s VAL 118 Cb -0.01 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 2kpw s VAL 118 CO 0.35 0.56 2.21 -0.36 0.00 0.00 0.00 175.10 177.85 2kpw s PHE 119 N -0.09 1.40 0.02 5.22 0.40 -1.26 -4.90 117.98 118.78 2kpw s PHE 119 Ca -0.03 1.40 -0.02 0.00 -0.60 0.00 0.00 56.93 57.68 2kpw s PHE 119 Cb -0.14 -3.71 -0.02 0.00 0.51 0.00 0.00 43.02 39.67 2kpw s PHE 119 CO 0.04 -1.77 0.01 0.21 0.70 0.00 0.00 175.22 174.41 2kpw s LYS 120 N 8.05 0.41 1.04 0.44 2.20 -1.26 -5.17 119.74 125.46 2kpw s LYS 120 Ca 0.83 -0.68 -0.13 0.00 -0.36 0.00 0.00 55.97 55.63 2kpw s LYS 120 Cb -0.11 0.15 0.21 0.00 -1.51 0.00 0.00 37.83 36.57 2kpw s LYS 120 CO 0.07 -0.08 1.09 0.95 -0.36 0.00 0.00 175.35 177.03 2kpw s THR 121 N -1.93 1.96 0.00 3.43 -4.23 -1.26 -5.13 115.64 108.48 2kpw s THR 121 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 2kpw s THR 121 Cb -0.06 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2kpw s THR 121 CO -0.02 0.00 0.23 1.07 -0.54 0.00 0.00 174.62 175.36