#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s GLN 2 N 0.00 3.01 -0.28 3.17 -1.52 -1.26 -1.96 119.66 120.81 3cpw s GLN 2 Ca 0.00 -1.09 -0.21 0.00 -1.95 0.00 0.00 55.36 52.11 3cpw s GLN 2 Cb 0.00 -2.70 0.11 0.00 -0.22 0.00 0.00 33.01 30.20 3cpw s GLN 2 CO 0.00 0.11 0.88 1.41 -0.25 0.00 0.00 175.29 177.44 3cpw s MET 3 N -4.09 0.58 0.25 2.91 -2.45 -0.52 -4.88 119.30 111.10 3cpw s MET 3 Ca 0.42 0.83 -0.30 0.00 -1.25 0.00 0.00 55.69 55.40 3cpw s MET 3 Cb -0.08 0.21 -0.09 0.00 1.25 0.00 0.00 34.83 36.12 3cpw s MET 3 CO 0.29 -0.09 1.30 -1.25 1.05 0.00 0.00 175.02 176.32 3cpw s PRO 4 N 0.84 4.39 0.37 4.11 0.04 -1.26 -0.03 135.00 143.46 3cpw s PRO 4 Ca -0.03 2.10 0.07 0.00 0.04 0.00 0.00 61.00 63.18 3cpw s PRO 4 Cb -0.05 -3.15 0.73 0.00 0.04 0.00 0.00 34.50 32.07 3cpw s PRO 4 CO -0.10 -0.21 1.92 -0.09 0.04 0.00 0.00 177.00 178.56 3cpw h ARG 5 N 4.65 0.39 -4.34 4.56 9.65 -1.81 -3.44 114.38 124.04 3cpw h ARG 5 Ca -0.46 -0.08 -0.31 0.00 -1.10 0.00 0.00 59.98 58.04 3cpw h ARG 5 Cb 1.22 -0.06 -0.27 0.00 -1.39 0.00 0.00 29.97 29.47 3cpw h ARG 5 CO 0.73 0.44 -0.75 1.03 2.80 0.00 0.00 179.97 184.22 3cpw s ARG 6 N -4.92 0.43 0.06 0.20 0.52 -1.26 -1.02 118.95 112.95 3cpw s ARG 6 Ca -0.07 -0.32 -0.27 0.00 -0.52 0.00 0.00 55.73 54.55 3cpw s ARG 6 Cb 0.16 -0.36 0.09 0.00 0.52 0.00 0.00 34.95 35.36 3cpw s ARG 6 CO 0.74 0.09 0.86 -0.59 0.02 0.00 0.00 175.30 176.43 3cpw s PHE 7 N -0.43 -0.32 0.21 -0.53 -0.12 -0.90 -4.99 117.98 110.90 3cpw s PHE 7 Ca -0.01 0.13 -0.23 0.00 -0.05 0.00 0.00 56.93 56.77 3cpw s PHE 7 Cb -0.04 0.57 -0.08 0.00 -0.63 0.00 0.00 43.02 42.84 3cpw s PHE 7 CO -0.00 -0.66 0.77 -0.80 -0.05 0.00 0.00 175.22 174.48 3cpw s ASN 8 N -2.63 7.21 -0.04 1.98 0.01 -1.26 -0.86 114.94 119.36 3cpw s ASN 8 Ca 0.06 1.55 -0.31 0.00 -0.71 0.00 0.00 52.86 53.46 3cpw s ASN 8 Cb -0.01 -2.47 0.12 0.00 0.41 0.00 0.00 41.25 39.30 3cpw s ASN 8 CO -0.07 0.09 1.23 0.28 -1.51 0.00 0.00 177.10 177.12 3cpw s THR 9 N -1.39 0.00 0.38 1.60 -1.32 -0.95 -4.93 115.64 109.02 3cpw s THR 9 Ca 0.41 -0.21 -0.28 0.00 -1.21 0.00 0.00 61.69 60.41 3cpw s THR 9 Cb -0.19 -1.74 -0.10 0.00 -1.51 0.00 0.00 72.50 68.95 3cpw s THR 9 CO 0.23 0.00 1.43 -0.47 -2.21 0.00 0.00 174.62 173.60 3cpw s TYR 10 N -2.52 2.67 -0.36 9.09 5.04 -1.26 -1.96 117.35 128.05 3cpw s TYR 10 Ca 0.13 1.25 0.02 0.00 -2.44 0.00 0.00 57.07 56.02 3cpw s TYR 10 Cb 0.03 -3.92 0.10 0.00 0.35 0.00 0.00 41.96 38.52 3cpw s TYR 10 CO -0.04 -2.70 0.10 0.00 -1.34 0.00 0.00 175.55 171.57 3cpw h PRO 12 N 7.74 0.00 0.00 0.00 0.13 -1.94 0.56 132.00 138.49 3cpw h PRO 12 Ca -0.07 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 3cpw h PRO 12 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 3cpw h PRO 12 CO 0.58 0.00 -0.68 0.45 -0.23 0.00 0.00 178.00 178.11 3cpw h HIS 13 N 0.00 0.00 0.00 1.56 3.86 -1.95 -3.33 115.15 115.29 3cpw h HIS 13 Ca 0.17 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3cpw h HIS 13 Cb 1.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.82 3cpw h HIS 13 CO 0.00 0.97 -0.17 0.00 0.86 0.00 0.00 177.93 179.59 3cpw n ASN 15 N -3.56 -4.76 -3.53 0.00 2.85 0.19 -4.99 115.26 101.46 3cpw n ASN 15 Ca -0.01 -0.10 -0.16 0.00 -0.11 0.00 0.00 54.58 54.19 3cpw n ASN 15 Cb 0.31 -3.78 -0.06 0.00 1.24 0.00 0.00 39.78 37.50 3cpw n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3cpw s GLU 16 N -5.03 0.97 0.26 1.20 -1.05 -1.21 -4.96 118.70 108.87 3cpw s GLU 16 Ca 0.10 0.24 -0.31 0.00 -0.15 0.00 0.00 54.97 54.85 3cpw s GLU 16 Cb -0.04 0.46 -0.11 0.00 -0.44 0.00 0.00 34.13 33.99 3cpw s GLU 16 CO 0.12 -0.30 1.61 -1.01 0.95 0.00 0.00 175.26 176.63 3cpw s HIS 17 N -1.16 2.83 0.21 4.83 3.76 -1.26 -3.17 115.29 121.34 3cpw s HIS 17 Ca -0.09 0.68 -0.17 0.00 -0.15 0.00 0.00 55.06 55.33 3cpw s HIS 17 Cb -0.00 -4.06 0.02 0.00 1.11 0.00 0.00 32.58 29.65 3cpw s HIS 17 CO 0.08 -3.68 0.53 -0.65 -0.85 0.00 0.00 174.74 170.17 3cpw s GLN 18 N 0.04 1.45 -0.32 1.40 -0.21 -0.83 -4.92 119.66 116.28 3cpw s GLN 18 Ca 0.66 -0.96 -0.29 0.00 0.02 0.00 0.00 55.36 54.79 3cpw s GLN 18 Cb -0.47 0.52 0.00 0.00 1.00 0.00 0.00 33.01 34.05 3cpw s GLN 18 CO 0.42 -0.62 1.34 -2.00 -2.12 0.00 0.00 175.29 172.32 3cpw s GLU 19 N -3.91 3.84 0.28 2.91 2.12 -1.26 -2.24 118.70 120.44 3cpw s GLU 19 Ca 0.12 1.21 0.06 0.00 0.36 0.00 0.00 54.97 56.72 3cpw s GLU 19 Cb -0.01 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.44 3cpw s GLU 19 CO 0.01 -1.22 0.37 -1.01 -0.54 0.00 0.00 175.26 172.87 3cpw s HIS 20 N 4.62 3.26 -0.08 5.30 3.76 -0.04 0.53 115.29 132.63 3cpw s HIS 20 Ca 0.58 -0.12 0.05 0.00 -0.15 0.00 0.00 55.06 55.42 3cpw s HIS 20 Cb -0.16 -1.70 -0.00 0.00 1.11 0.00 0.00 32.58 31.83 3cpw s HIS 20 CO 0.25 0.29 -0.24 -2.00 -0.85 0.00 0.00 174.74 172.20 3cpw s GLU 21 N -4.02 2.82 -0.20 1.40 2.12 0.17 -2.11 118.70 118.87 3cpw s GLU 21 Ca 0.38 -0.86 -0.10 0.00 0.36 0.00 0.00 54.97 54.74 3cpw s GLU 21 Cb -0.09 -2.20 -0.05 0.00 0.26 0.00 0.00 34.13 32.05 3cpw s GLU 21 CO 0.29 0.24 0.14 0.08 -0.54 0.00 0.00 175.26 175.46 3cpw s VAL 22 N 0.19 5.41 0.02 3.70 1.01 -0.19 -0.62 120.40 129.92 3cpw s VAL 22 Ca -0.14 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3cpw s VAL 22 Cb -0.16 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3cpw s VAL 22 CO 0.07 0.44 -0.06 -0.70 0.00 0.00 0.00 175.10 174.85 3cpw s GLU 23 N 0.33 0.43 0.07 2.72 2.12 -0.48 -4.90 118.70 119.00 3cpw s GLU 23 Ca 0.08 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 3cpw s GLU 23 Cb -0.11 -0.26 -0.05 0.00 0.26 0.00 0.00 34.13 33.96 3cpw s GLU 23 CO -0.02 0.06 1.11 0.15 -0.54 0.00 0.00 175.26 176.02 3cpw s LYS 24 N -1.00 4.51 -0.23 4.30 1.02 -1.26 -0.11 119.74 126.97 3cpw s LYS 24 Ca -0.06 1.65 -0.28 0.00 0.02 0.00 0.00 55.97 57.30 3cpw s LYS 24 Cb -0.07 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3cpw s LYS 24 CO 0.00 -0.12 2.06 0.08 -0.92 0.00 0.00 175.35 176.45 3cpw s VAL 25 N 0.75 3.17 0.13 3.17 1.01 -0.77 -4.87 120.40 122.99 3cpw s VAL 25 Ca 0.55 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.42 3cpw s VAL 25 Cb -0.27 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 3cpw s VAL 25 CO 0.30 -0.13 0.92 -0.13 0.00 0.00 0.00 175.10 176.05 3cpw s ARG 26 N 5.96 4.70 0.21 2.72 0.52 -1.26 -5.00 118.95 126.80 3cpw s ARG 26 Ca 0.93 1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 57.22 3cpw s ARG 26 Cb -0.30 -3.35 -0.10 0.00 0.52 0.00 0.00 34.95 31.72 3cpw s ARG 26 CO 0.35 0.31 1.46 -1.12 0.02 0.00 0.00 175.30 176.32 3cpw s SER 27 N -0.34 6.67 0.26 0.23 0.01 -1.26 -5.00 113.70 114.28 3cpw s SER 27 Ca 0.44 2.61 -0.20 0.00 1.31 0.00 0.00 55.95 60.11 3cpw s SER 27 Cb -0.23 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.30 3cpw s SER 27 CO 0.29 -0.71 0.77 -0.83 0.41 0.00 0.00 173.24 173.17 3cpw s GLY 28 N 0.61 2.59 0.46 3.44 0.00 -1.26 -5.04 107.32 108.12 3cpw s GLY 28 Ca 0.62 0.22 -0.22 0.00 0.00 0.00 0.00 44.72 45.34 3cpw s GLY 28 CO 0.39 0.56 1.08 -1.60 0.00 0.00 0.00 173.10 173.53 3cpw s ARG 29 N -2.20 3.83 0.39 2.90 3.52 -1.26 -5.03 118.95 121.10 3cpw s ARG 29 Ca 0.47 1.52 -0.12 0.00 -0.13 0.00 0.00 55.73 57.47 3cpw s ARG 29 Cb -0.16 -2.26 -0.07 0.00 -1.56 0.00 0.00 34.95 30.90 3cpw s ARG 29 CO 0.20 -0.43 0.77 -0.65 -0.81 0.00 0.00 175.30 174.39 3cpw s GLN 30 N -2.93 3.83 0.03 5.12 -0.21 -1.26 -4.99 119.66 119.24 3cpw s GLN 30 Ca 0.65 0.54 0.22 0.00 0.02 0.00 0.00 55.36 56.78 3cpw s GLN 30 Cb -0.21 -2.39 -0.25 0.00 1.00 0.00 0.00 33.01 31.16 3cpw s GLN 30 CO 0.26 -0.01 0.62 0.25 -2.12 0.00 0.00 175.29 174.28 3cpw n THR 31 N -1.12 0.19 -1.73 -0.19 -2.24 -1.26 -4.98 114.28 102.96 3cpw n THR 31 Ca 0.03 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 3cpw n THR 31 Cb 0.54 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3cpw n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cpw n GLY 32 N 1.25 0.61 0.01 3.38 0.00 -1.26 -4.88 105.19 104.31 3cpw n GLY 32 Ca -0.04 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.51 3cpw n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cpw n MET 33 N -2.39 2.43 -1.73 1.61 2.81 -1.26 -4.82 117.12 113.78 3cpw n MET 33 Ca -0.12 -1.47 -0.31 0.00 -1.81 0.00 0.00 57.70 53.99 3cpw n MET 33 Cb 0.47 -0.98 0.04 0.00 -0.71 0.00 0.00 33.22 32.04 3cpw n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3cpw s LYS 34 N -1.04 3.04 0.30 0.03 3.01 -1.26 -4.90 119.74 118.92 3cpw s LYS 34 Ca 0.03 0.75 0.04 0.00 -1.01 0.00 0.00 55.97 55.78 3cpw s LYS 34 Cb 0.03 -2.02 0.68 0.00 -1.01 0.00 0.00 37.83 35.51 3cpw s LYS 34 CO 0.00 -0.97 1.81 2.35 0.51 0.00 0.00 175.35 179.05 3cpw h TRP 35 N -0.61 1.08 -0.63 3.18 7.01 -1.99 -0.71 115.95 123.27 3cpw h TRP 35 Ca -0.45 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.57 3cpw h TRP 35 Cb 1.22 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.91 3cpw h TRP 35 CO 0.59 0.33 0.33 0.97 -2.79 0.00 0.00 178.44 177.86 3cpw h ILE 36 N 0.85 1.20 -0.35 2.65 6.09 -1.99 -0.95 117.51 125.00 3cpw h ILE 36 Ca 0.54 -0.53 -0.07 0.00 -1.37 0.00 0.00 64.86 63.44 3cpw h ILE 36 Cb 0.73 0.36 -0.02 0.00 0.47 0.00 0.00 36.82 38.37 3cpw h ILE 36 CO -0.32 0.23 -0.06 0.44 -3.07 0.00 0.00 178.15 175.36 3cpw h ASP 37 N 0.89 0.56 1.28 2.19 3.32 -1.47 -1.91 116.42 121.28 3cpw h ASP 37 Ca 0.22 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 3cpw h ASP 37 Cb 0.06 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3cpw h ASP 37 CO -0.03 0.67 -0.64 0.03 -1.72 0.00 0.00 179.24 177.55 3cpw h ARG 38 N 0.54 0.00 -0.08 3.56 3.08 -1.16 -3.02 114.38 117.31 3cpw h ARG 38 Ca 0.11 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.97 3cpw h ARG 38 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3cpw h ARG 38 CO 0.02 0.64 -0.75 0.37 -1.07 0.00 0.00 179.97 179.18 3cpw h GLN 39 N 0.00 0.42 -0.49 0.04 4.15 -0.74 -1.09 115.11 117.40 3cpw h GLN 39 Ca -0.01 -0.36 -0.05 0.00 0.77 0.00 0.00 58.65 59.01 3cpw h GLN 39 Cb 1.45 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 3cpw h GLN 39 CO 0.08 1.00 0.12 -0.09 -1.93 0.00 0.00 178.83 178.01 3cpw h ARG 40 N 0.29 0.79 0.22 1.69 2.43 -1.37 0.96 114.38 119.40 3cpw h ARG 40 Ca -0.04 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3cpw h ARG 40 Cb 1.33 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3cpw h ARG 40 CO 0.13 0.77 -0.11 0.93 -1.51 0.00 0.00 179.97 180.18 3cpw h GLU 41 N 0.68 -0.29 0.25 0.20 5.08 -1.48 -2.55 114.58 116.47 3cpw h GLU 41 Ca 0.15 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3cpw h GLU 41 Cb 0.34 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3cpw h GLU 41 CO 0.00 -0.00 -0.42 0.00 -1.00 0.00 0.00 179.01 177.59 3cpw h ARG 42 N -0.57 -0.68 0.00 2.33 3.08 -1.08 -3.18 114.38 114.29 3cpw h ARG 42 Ca -0.03 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3cpw h ARG 42 Cb 0.42 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3cpw h ARG 42 CO 0.05 -0.45 0.00 0.09 -1.07 0.00 0.00 179.97 178.59 3cpw n ASN 43 N -4.88 0.00 -4.66 7.04 4.13 0.32 -4.77 115.26 112.45 3cpw n ASN 43 Ca -0.08 0.40 -0.40 0.00 1.68 0.00 0.00 54.58 56.18 3cpw n ASN 43 Cb 0.35 -0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 38.08 3cpw n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3cpw s SER 44 N -2.90 6.67 0.00 6.41 0.01 -0.96 -4.94 113.70 117.99 3cpw s SER 44 Ca 0.10 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.18 3cpw s SER 44 Cb 0.11 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.99 3cpw s SER 44 CO 0.29 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.28 3cpw n GLY 45 N 3.81 5.07 3.72 3.44 0.00 -1.26 -4.98 105.19 115.00 3cpw n GLY 45 Ca -0.02 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3cpw n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cpw s ILE 46 N 3.50 4.66 0.00 -0.61 1.01 -1.26 -4.86 121.20 123.64 3cpw s ILE 46 Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 60.65 62.66 3cpw s ILE 46 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3cpw s ILE 46 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3cpw n GLY 47 N 2.50 -1.40 3.75 6.18 0.00 -1.26 -4.89 105.19 110.08 3cpw n GLY 47 Ca 0.03 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 3cpw n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cpw s ASN 48 N -4.00 5.37 -0.33 1.61 2.47 -1.26 -4.95 114.94 113.85 3cpw s ASN 48 Ca 0.00 2.76 0.07 0.00 0.42 0.00 0.00 52.86 56.12 3cpw s ASN 48 Cb 0.00 -2.64 0.52 0.00 -1.45 0.00 0.00 41.25 37.68 3cpw s ASN 48 CO 0.00 -1.50 1.52 0.47 -3.72 0.00 0.00 177.10 173.87 3cpw n ASP 49 N -0.92 2.97 0.00 -4.21 8.00 -1.26 -4.79 116.55 116.34 3cpw n ASP 49 Ca 0.10 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.82 3cpw n ASP 49 Cb 0.45 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3cpw n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cpw n GLY 50 N -1.10 2.78 0.46 0.44 0.00 -1.26 -1.54 105.19 104.98 3cpw n GLY 50 Ca 0.38 -0.14 0.29 0.00 0.00 0.00 0.00 46.02 46.55 3cpw n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cpw h LYS 51 N 0.00 0.21 -0.14 1.61 2.10 -1.99 0.41 116.57 118.77 3cpw h LYS 51 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3cpw h LYS 51 Cb 0.00 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 3cpw h LYS 51 CO 0.00 0.14 0.00 1.19 -2.00 0.00 0.00 179.45 178.78 3cpw n PHE 52 N -4.46 0.00 0.16 0.07 3.01 -0.59 -2.76 117.46 112.89 3cpw n PHE 52 Ca 0.26 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.75 3cpw n PHE 52 Cb 1.07 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.55 3cpw n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3cpw n SER 53 N -0.43 1.61 -4.52 4.37 7.64 0.14 -4.84 113.62 117.60 3cpw n SER 53 Ca 0.00 -1.36 -0.29 0.00 1.01 0.00 0.00 58.87 58.23 3cpw n SER 53 Cb 0.03 -0.02 0.13 0.00 -1.01 0.00 0.00 64.21 63.35 3cpw n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3cpw s LYS 54 N -0.53 1.34 -0.03 1.43 1.02 -1.11 -5.00 119.74 116.85 3cpw s LYS 54 Ca 0.07 -0.28 -0.05 0.00 0.02 0.00 0.00 55.97 55.74 3cpw s LYS 54 Cb 0.04 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.41 3cpw s LYS 54 CO 0.07 -1.93 0.12 0.14 -0.92 0.00 0.00 175.35 172.82 3cpw s VAL 55 N -3.65 0.02 0.00 3.17 -7.23 -1.26 -5.10 120.40 106.35 3cpw s VAL 55 Ca 0.68 -0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 3cpw s VAL 55 Cb -0.07 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.63 3cpw s VAL 55 CO 0.50 -0.11 0.00 -2.65 -0.31 0.00 0.00 175.10 172.53 3cpw n PRO 56 N 2.61 0.00 0.00 4.82 -0.02 -1.26 -4.92 135.00 136.23 3cpw n PRO 56 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3cpw n PRO 56 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.06 3cpw n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cpw n GLY 57 N 0.00 -2.27 0.00 -1.23 0.00 -1.26 -5.06 105.19 95.36 3cpw n GLY 57 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3cpw n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 58 N -0.18 0.98 3.08 -0.02 0.00 -1.26 -5.17 105.19 102.62 3cpw n GLY 58 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3cpw n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cpw s ASP 59 N 2.00 0.04 0.25 1.61 1.01 -1.26 -5.15 116.67 115.18 3cpw s ASP 59 Ca 0.00 -0.20 -0.12 0.00 0.71 0.00 0.00 52.55 52.93 3cpw s ASP 59 Cb 0.00 0.20 -0.08 0.00 1.01 0.00 0.00 42.92 44.05 3cpw s ASP 59 CO 0.00 -0.33 0.62 -0.75 0.21 0.00 0.00 175.17 174.92 3cpw s LYS 60 N -1.25 3.91 0.37 8.23 2.47 -1.26 -4.97 119.74 127.24 3cpw s LYS 60 Ca -0.13 0.46 0.11 0.00 -1.56 0.00 0.00 55.97 54.84 3cpw s LYS 60 Cb -0.07 -2.61 0.88 0.00 -1.46 0.00 0.00 37.83 34.57 3cpw s LYS 60 CO 0.01 0.28 1.87 -1.00 0.16 0.00 0.00 175.35 176.67 3cpw h PRO 61 N 2.57 0.60 -4.06 4.03 0.13 -2.06 -3.41 132.00 129.81 3cpw h PRO 61 Ca -0.47 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.33 3cpw h PRO 61 Cb 1.17 -0.14 -0.28 0.00 0.13 0.00 0.00 31.00 31.88 3cpw h PRO 61 CO 0.67 0.40 -0.74 0.99 -0.23 0.00 0.00 178.00 179.09 3cpw s THR 62 N -5.61 0.24 0.20 1.56 2.01 -1.26 -5.05 115.64 107.73 3cpw s THR 62 Ca -0.09 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3cpw s THR 62 Cb 0.22 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.47 3cpw s THR 62 CO 0.79 0.07 0.39 -0.54 -0.69 0.00 0.00 174.62 174.64 3cpw s LYS 63 N -0.03 3.52 0.57 4.92 -0.14 -1.26 -4.90 119.74 122.42 3cpw s LYS 63 Ca 0.01 -0.33 -0.13 0.00 -1.36 0.00 0.00 55.97 54.16 3cpw s LYS 63 Cb -0.02 -2.84 -0.06 0.00 -1.68 0.00 0.00 37.83 33.24 3cpw s LYS 63 CO -0.00 0.40 1.00 0.15 -0.76 0.00 0.00 175.35 176.14 3cpw s LYS 64 N -3.29 3.74 0.18 1.68 1.02 -1.26 -2.57 119.74 119.23 3cpw s LYS 64 Ca 0.39 0.80 -0.32 0.00 0.02 0.00 0.00 55.97 56.86 3cpw s LYS 64 Cb -0.11 -2.12 -0.12 0.00 -0.52 0.00 0.00 37.83 34.96 3cpw s LYS 64 CO 0.29 -0.43 1.75 2.41 -0.92 0.00 0.00 175.35 178.45 3cpw n THR 65 N -2.23 0.10 -3.90 2.17 -1.04 -0.69 -4.81 114.28 103.88 3cpw n THR 65 Ca 0.06 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.05 61.76 3cpw n THR 65 Cb 0.54 -2.00 -0.13 0.00 -1.82 0.00 0.00 70.33 66.92 3cpw n THR 65 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3cpw s ASP 66 N 1.60 4.39 0.19 8.00 2.15 -1.26 -3.93 116.67 127.81 3cpw s ASP 66 Ca 0.77 -3.30 0.08 0.00 0.43 0.00 0.00 52.55 50.53 3cpw s ASP 66 Cb -0.51 -1.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 3cpw s ASP 66 CO 0.34 -0.18 -0.16 -0.76 -0.17 0.00 0.00 175.17 174.24 3cpw s LEU 67 N -0.67 2.52 -0.12 -1.34 1.43 -1.26 -1.85 118.68 117.37 3cpw s LEU 67 Ca 0.20 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 3cpw s LEU 67 Cb -0.17 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 3cpw s LEU 67 CO -0.07 -0.11 -0.16 -0.54 0.23 0.00 0.00 176.35 175.70 3cpw s LYS 68 N -3.33 3.30 -0.38 1.70 1.02 0.85 -4.47 119.74 118.43 3cpw s LYS 68 Ca 0.20 -0.74 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 3cpw s LYS 68 Cb -0.03 -2.55 0.06 0.00 -0.52 0.00 0.00 37.83 34.80 3cpw s LYS 68 CO 0.07 0.20 0.17 0.71 -0.92 0.00 0.00 175.35 175.59 3cpw s TYR 69 N 0.35 3.32 -0.24 3.18 1.51 -0.82 -1.38 117.35 123.27 3cpw s TYR 69 Ca -0.13 -1.56 -0.11 0.00 -1.01 0.00 0.00 57.07 54.26 3cpw s TYR 69 Cb -0.16 -2.63 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 3cpw s TYR 69 CO 0.06 -0.80 0.18 1.03 -1.11 0.00 0.00 175.55 174.92 3cpw s ARG 70 N 1.39 4.08 0.28 -0.62 0.52 0.21 -1.12 118.95 123.68 3cpw s ARG 70 Ca 0.01 -0.23 -0.29 0.00 -0.52 0.00 0.00 55.73 54.70 3cpw s ARG 70 Cb -0.21 -3.54 -0.10 0.00 0.52 0.00 0.00 34.95 31.62 3cpw s ARG 70 CO 0.02 0.05 1.35 0.00 0.02 0.00 0.00 175.30 176.75 3cpw n GLY 72 N 1.56 -1.24 0.02 0.00 0.00 0.19 -2.77 105.19 102.95 3cpw n GLY 72 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 3cpw n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cpw n GLU 73 N -1.40 0.48 0.02 1.61 2.13 -1.26 -4.74 120.64 117.48 3cpw n GLU 73 Ca 0.09 0.03 0.11 0.00 0.66 0.00 0.00 57.16 58.04 3cpw n GLU 73 Cb 0.25 -1.10 -0.07 0.00 0.27 0.00 0.00 31.44 30.79 3cpw n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cpw n GLY 75 N 1.34 0.88 3.86 0.00 0.00 -1.12 -5.03 105.19 105.12 3cpw n GLY 75 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3cpw n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw s LYS 76 N -0.09 3.91 0.34 1.61 1.02 -1.26 -4.71 119.74 120.56 3cpw s LYS 76 Ca 0.00 0.43 0.08 0.00 0.02 0.00 0.00 55.97 56.50 3cpw s LYS 76 Cb 0.00 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3cpw s LYS 76 CO 0.00 0.37 0.11 0.00 -0.92 0.00 0.00 175.35 174.91 3cpw s ALA 77 N -1.67 3.43 0.06 5.17 0.00 -1.26 -1.76 121.76 125.73 3cpw s ALA 77 Ca 0.44 -1.86 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 3cpw s ALA 77 Cb -0.13 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3cpw s ALA 77 CO 0.20 0.04 0.01 -3.38 0.00 0.00 0.00 175.76 172.63 3cpw s HIS 78 N -2.45 0.50 0.33 0.00 -3.43 -0.28 -4.95 115.29 105.01 3cpw s HIS 78 Ca 0.37 -1.02 0.08 0.00 -0.80 0.00 0.00 55.06 53.68 3cpw s HIS 78 Cb -0.02 -0.35 -0.03 0.00 -1.43 0.00 0.00 32.58 30.75 3cpw s HIS 78 CO 0.22 -0.41 0.26 -0.51 -2.00 0.00 0.00 174.74 172.30 3cpw s LEU 79 N -2.92 3.58 0.07 5.38 1.43 -1.26 -1.95 118.68 123.01 3cpw s LEU 79 Ca 0.08 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3cpw s LEU 79 Cb 0.08 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 3cpw s LEU 79 CO -0.09 -0.30 0.05 -0.13 0.23 0.00 0.00 176.35 176.11 3cpw s ARG 80 N -3.96 0.72 0.53 1.70 0.52 -1.26 -5.01 118.95 112.19 3cpw s ARG 80 Ca 0.39 -1.16 -0.22 0.00 -0.52 0.00 0.00 55.73 54.23 3cpw s ARG 80 Cb -0.06 0.26 -0.06 0.00 0.52 0.00 0.00 34.95 35.62 3cpw s ARG 80 CO 0.26 -0.18 1.31 0.39 0.02 0.00 0.00 175.30 177.10 3cpw n GLU 81 N 0.03 1.66 -3.14 3.54 1.02 -1.26 -4.85 120.64 117.64 3cpw n GLU 81 Ca -0.13 0.61 -0.18 0.00 -0.02 0.00 0.00 57.16 57.43 3cpw n GLU 81 Cb 0.62 -2.51 0.01 0.00 -0.02 0.00 0.00 31.44 29.54 3cpw n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3cpw s GLY 82 N -0.88 1.95 -0.00 0.62 0.00 -1.25 -4.98 107.32 102.78 3cpw s GLY 82 Ca 0.70 -1.78 0.02 0.00 0.00 0.00 0.00 44.72 43.66 3cpw s GLY 82 CO 0.50 -1.58 -0.06 0.66 0.00 0.00 0.00 173.10 172.63 3cpw s TRP 83 N -2.45 0.52 -0.05 1.90 -2.14 -1.26 -4.65 118.94 110.82 3cpw s TRP 83 Ca 0.54 -0.12 -0.36 0.00 2.66 0.00 0.00 56.10 58.82 3cpw s TRP 83 Cb -0.08 -0.33 -0.14 0.00 -3.10 0.00 0.00 33.47 29.81 3cpw s TRP 83 CO 0.33 -0.01 1.65 0.54 -2.66 0.00 0.00 176.95 176.80 3cpw n ARG 84 N 2.86 1.66 -3.66 3.25 1.74 -1.26 -1.70 116.66 119.54 3cpw n ARG 84 Ca -0.13 0.60 -0.17 0.00 -0.77 0.00 0.00 57.85 57.38 3cpw n ARG 84 Cb 0.58 -2.34 -0.15 0.00 -1.02 0.00 0.00 32.46 29.52 3cpw n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cpw s ALA 85 N 2.41 -0.19 0.35 7.54 0.00 -1.06 -4.92 121.76 125.89 3cpw s ALA 85 Ca 0.89 0.58 0.07 0.00 0.00 0.00 0.00 51.96 53.50 3cpw s ALA 85 Cb -0.85 -0.84 0.77 0.00 0.00 0.00 0.00 23.12 22.20 3cpw s ALA 85 CO 0.51 -0.59 1.88 0.78 0.00 0.00 0.00 175.76 178.34 3cpw h GLY 86 N 8.36 1.23 -4.13 0.00 0.00 -1.93 -3.41 103.07 103.19 3cpw h GLY 86 Ca -0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3cpw h GLY 86 CO 0.14 0.12 0.09 -1.60 0.00 0.00 0.00 176.54 175.29 3cpw s ARG 87 N -5.72 0.97 -0.19 4.80 3.52 -1.26 -4.97 118.95 116.11 3cpw s ARG 87 Ca -0.10 0.18 -0.03 0.00 -0.13 0.00 0.00 55.73 55.65 3cpw s ARG 87 Cb 0.22 0.45 0.06 0.00 -1.56 0.00 0.00 34.95 34.12 3cpw s ARG 87 CO 0.79 -0.29 0.05 -1.17 -0.81 0.00 0.00 175.30 173.86 3cpw s LEU 88 N -1.18 0.99 -0.08 -0.88 2.96 -1.26 0.39 118.68 119.61 3cpw s LEU 88 Ca -0.11 -0.77 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 3cpw s LEU 88 Cb -0.01 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 3cpw s LEU 88 CO 0.09 -0.31 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.07 3cpw s GLU 89 N 1.92 2.88 0.10 1.98 2.02 -0.83 -5.00 118.70 121.77 3cpw s GLU 89 Ca -0.00 -0.66 -0.14 0.00 0.02 0.00 0.00 54.97 54.19 3cpw s GLU 89 Cb -0.17 -2.52 -0.06 0.00 0.10 0.00 0.00 34.13 31.48 3cpw s GLU 89 CO -0.08 0.48 0.49 -0.06 0.02 0.00 0.00 175.26 176.11 3cpw s PHE 90 N -0.35 3.64 -0.41 1.61 0.40 -1.26 -1.43 117.98 120.17 3cpw s PHE 90 Ca 0.04 1.00 -0.17 0.00 -0.60 0.00 0.00 56.93 57.19 3cpw s PHE 90 Cb -0.12 -2.31 0.02 0.00 0.51 0.00 0.00 43.02 41.11 3cpw s PHE 90 CO 0.02 0.50 0.44 -0.65 0.70 0.00 0.00 175.22 176.23 3cpw s GLN 91 N -1.75 3.15 0.00 0.44 -0.21 0.95 -4.87 119.66 117.37 3cpw s GLN 91 Ca 0.34 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 55.01 3cpw s GLN 91 Cb -0.15 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 29.91 3cpw s GLN 91 CO 0.18 -0.83 0.00 0.39 -2.12 0.00 0.00 175.29 172.91