#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oww n GLY 2 N 0.00 -1.57 3.63 5.00 0.00 -1.26 -5.15 105.19 105.84 1oww n GLY 2 Ca 0.00 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 1oww n GLY 2 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1oww n PRO 3 N -0.12 1.28 -2.44 1.61 -0.02 -1.26 -4.97 135.00 129.07 1oww n PRO 3 Ca 0.00 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 1oww n PRO 3 Cb 0.00 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1oww n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oww s VAL 4 N -1.37 4.16 -0.86 -1.45 1.01 -1.26 -4.98 120.40 115.65 1oww s VAL 4 Ca 0.68 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.68 1oww s VAL 4 Cb -0.48 -3.55 0.21 0.00 0.00 0.00 0.00 36.38 32.56 1oww s VAL 4 CO 0.53 -0.46 0.84 -1.61 0.00 0.00 0.00 175.10 174.40 1oww s GLU 5 N -3.68 3.64 -0.12 2.72 2.02 -0.83 -4.92 118.70 117.53 1oww s GLU 5 Ca 0.63 -2.41 -0.01 0.00 0.02 0.00 0.00 54.97 53.19 1oww s GLU 5 Cb -0.13 -4.51 -0.02 0.00 0.10 0.00 0.00 34.13 29.58 1oww s GLU 5 CO 0.26 -1.35 -0.08 0.54 0.02 0.00 0.00 175.26 174.64 1oww s VAL 6 N 0.43 3.49 0.28 2.63 0.11 -1.26 -0.92 120.40 125.15 1oww s VAL 6 Ca 0.21 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 1oww s VAL 6 Cb -0.09 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 32.26 1oww s VAL 6 CO -0.09 0.53 0.34 -0.36 -3.33 0.00 0.00 175.10 172.19 1oww s PHE 7 N 0.08 1.12 -0.03 1.54 0.08 -0.98 -5.01 117.98 114.78 1oww s PHE 7 Ca -0.03 -1.30 0.01 0.00 0.12 0.00 0.00 56.93 55.73 1oww s PHE 7 Cb -0.14 -0.30 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1oww s PHE 7 CO 0.04 -0.92 -0.02 -1.50 -0.10 0.00 0.00 175.22 172.72 1oww s ILE 8 N -3.61 0.32 0.00 0.64 2.07 -1.26 -3.07 121.20 116.29 1oww s ILE 8 Ca 0.34 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1oww s ILE 8 Cb 0.02 -0.37 0.00 0.00 0.13 0.00 0.00 42.46 42.24 1oww s ILE 8 CO 0.18 0.17 0.45 1.07 -1.91 0.00 0.00 174.94 174.90 1oww n THR 9 N 3.94 0.00 -0.00 4.00 5.66 -1.26 -4.93 114.28 121.68 1oww n THR 9 Ca -0.25 0.00 -0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1oww n THR 9 Cb 0.51 0.78 -0.00 0.00 -1.55 0.00 0.00 70.33 70.08 1oww n THR 9 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1oww h GLU 10 N 0.00 0.00 -5.28 1.09 3.07 -1.95 -3.46 114.58 108.05 1oww h GLU 10 Ca 0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 1oww h GLU 10 Cb 1.03 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.80 1oww h GLU 10 CO 0.00 0.00 -0.53 0.95 -1.40 0.00 0.00 179.01 178.03 1oww s THR 11 N -1.02 5.08 -0.63 1.13 -4.23 -1.26 -4.97 115.64 109.73 1oww s THR 11 Ca -0.00 0.07 0.25 0.00 -1.18 0.00 0.00 61.69 60.83 1oww s THR 11 Cb 0.00 -3.30 0.26 0.00 1.34 0.00 0.00 72.50 70.80 1oww s THR 11 CO 0.00 0.45 1.65 1.55 -0.54 0.00 0.00 174.62 177.74 1oww h PRO 12 N 6.66 0.00 -2.27 3.99 0.13 -1.97 -3.44 132.00 135.10 1oww h PRO 12 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1oww h PRO 12 Cb 1.16 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.05 1oww h PRO 12 CO 0.73 0.00 -0.21 -1.12 -0.23 0.00 0.00 178.00 177.17 1oww s SER 13 N -4.94 -0.72 -0.28 1.44 0.01 -1.26 -4.94 113.70 103.01 1oww s SER 13 Ca 0.09 1.27 -0.03 0.00 1.31 0.00 0.00 55.95 58.60 1oww s SER 13 Cb 0.11 1.62 0.17 0.00 0.21 0.00 0.00 66.02 68.12 1oww s SER 13 CO 0.64 -0.22 0.54 -1.58 0.41 0.00 0.00 173.24 173.02 1oww s GLN 14 N 2.40 0.50 0.19 12.44 2.00 -0.95 -4.99 119.66 131.25 1oww s GLN 14 Ca -0.06 0.93 0.15 0.00 -2.00 0.00 0.00 55.36 54.38 1oww s GLN 14 Cb -0.10 0.31 -0.03 0.00 0.80 0.00 0.00 33.01 33.99 1oww s GLN 14 CO -0.16 -0.57 1.21 -1.00 -0.50 0.00 0.00 175.29 174.27 1oww h PRO 15 N 8.05 0.00 0.00 1.67 0.13 -1.79 -3.33 132.00 136.73 1oww h PRO 15 Ca -0.21 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.49 1oww h PRO 15 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 1oww h PRO 15 CO 0.24 0.48 -2.51 0.27 -0.23 0.00 0.00 178.00 176.25 1oww n ASN 16 N -3.12 1.97 -4.77 1.44 0.23 -1.26 -3.47 115.26 106.28 1oww n ASN 16 Ca -0.02 0.12 -0.23 0.00 -0.53 0.00 0.00 54.58 53.91 1oww n ASN 16 Cb 0.79 -0.63 -0.05 0.00 -2.08 0.00 0.00 39.78 37.81 1oww n ASN 16 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1oww s SER 17 N -7.04 5.27 -0.43 0.53 0.01 -1.26 -1.64 113.70 109.14 1oww s SER 17 Ca -0.37 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1oww s SER 17 Cb 0.12 -1.27 0.15 0.00 0.21 0.00 0.00 66.02 65.24 1oww s SER 17 CO 0.54 -0.00 0.30 -2.28 0.41 0.00 0.00 173.24 172.20 1oww s HIS 18 N -2.07 1.42 -0.78 2.43 2.46 -0.46 -4.64 115.29 113.65 1oww s HIS 18 Ca 0.32 -2.24 -0.25 0.00 0.47 0.00 0.00 55.06 53.36 1oww s HIS 18 Cb -0.08 -1.30 0.04 0.00 -0.13 0.00 0.00 32.58 31.11 1oww s HIS 18 CO 0.23 -0.79 1.24 -1.25 -2.47 0.00 0.00 174.74 171.71 1oww s PRO 19 N 0.27 3.25 0.53 2.88 0.04 -1.26 -2.14 135.00 138.57 1oww s PRO 19 Ca 0.24 -0.54 0.06 0.00 0.04 0.00 0.00 61.00 60.81 1oww s PRO 19 Cb -0.11 -4.40 0.05 0.00 0.04 0.00 0.00 34.50 30.08 1oww s PRO 19 CO -0.09 -2.09 0.72 0.96 0.04 0.00 0.00 177.00 176.55 1oww s ILE 20 N 5.22 2.60 0.13 0.56 -4.36 -0.60 -4.71 121.20 120.04 1oww s ILE 20 Ca 0.34 -0.88 -0.14 0.00 -0.26 0.00 0.00 60.65 59.72 1oww s ILE 20 Cb -0.08 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 40.93 1oww s ILE 20 CO 0.09 0.00 0.35 0.00 0.24 0.00 0.00 174.94 175.63 1oww s GLN 21 N -4.62 1.08 0.10 0.37 -2.07 -1.18 -1.81 119.66 111.53 1oww s GLN 21 Ca 0.59 -0.86 -0.01 0.00 -1.82 0.00 0.00 55.36 53.26 1oww s GLN 21 Cb -0.08 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.23 1oww s GLN 21 CO 0.37 -0.41 0.01 1.67 -1.32 0.00 0.00 175.29 175.61 1oww s TRP 22 N -3.85 0.73 -0.10 9.60 -2.14 -0.71 -2.31 118.94 120.16 1oww s TRP 22 Ca 0.07 -1.14 0.01 0.00 2.66 0.00 0.00 56.10 57.69 1oww s TRP 22 Cb 0.02 -0.45 0.02 0.00 -3.10 0.00 0.00 33.47 29.96 1oww s TRP 22 CO -0.08 -0.43 -0.11 -0.80 -2.66 0.00 0.00 176.95 172.86 1oww s ASN 23 N -3.00 2.14 0.47 -2.66 -0.87 -0.10 -4.80 114.94 106.12 1oww s ASN 23 Ca 0.16 -0.34 0.08 0.00 -1.57 0.00 0.00 52.86 51.19 1oww s ASN 23 Cb 0.08 -0.92 0.01 0.00 -0.02 0.00 0.00 41.25 40.40 1oww s ASN 23 CO -0.03 -0.03 0.47 0.00 -2.57 0.00 0.00 177.10 174.93 1oww s ALA 24 N 1.19 4.31 0.64 0.60 0.00 -1.26 -1.96 121.76 125.28 1oww s ALA 24 Ca -0.04 -1.77 -0.18 0.00 0.00 0.00 0.00 51.96 49.98 1oww s ALA 24 Cb -0.14 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1oww s ALA 24 CO -0.03 -0.39 1.22 -2.14 0.00 0.00 0.00 175.76 174.42 1oww s PRO 25 N -4.28 2.67 -0.01 0.00 0.02 -1.26 -5.00 135.00 127.14 1oww s PRO 25 Ca 0.48 1.85 -0.15 0.00 0.02 0.00 0.00 61.00 63.20 1oww s PRO 25 Cb -0.04 -1.89 -0.33 0.00 0.02 0.00 0.00 34.50 32.26 1oww s PRO 25 CO 0.29 -1.45 0.86 0.37 -0.33 0.00 0.00 177.00 176.74 1oww h GLN 26 N 0.49 0.46 0.00 5.54 4.15 -2.01 -3.27 115.11 120.47 1oww h GLN 26 Ca -0.50 -0.79 0.00 0.00 0.77 0.00 0.00 58.65 58.13 1oww h GLN 26 Cb 1.30 0.29 0.00 0.00 0.21 0.00 0.00 27.48 29.29 1oww h GLN 26 CO 0.53 1.38 0.00 -2.30 -1.93 0.00 0.00 178.83 176.51 1oww n PRO 27 N -3.73 0.35 -2.10 -2.39 -0.02 -1.26 -4.90 135.00 120.95 1oww n PRO 27 Ca -0.20 0.08 -0.03 0.00 -2.02 0.00 0.00 63.50 61.34 1oww n PRO 27 Cb 1.06 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1oww n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1oww n SER 28 N -1.18 -4.57 -0.01 2.55 2.88 -1.24 -5.00 113.62 107.05 1oww n SER 28 Ca 0.10 0.18 -0.09 0.00 -1.33 0.00 0.00 58.87 57.73 1oww n SER 28 Cb 0.10 -2.90 -0.14 0.00 -0.75 0.00 0.00 64.21 60.52 1oww n SER 28 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1oww h HIS 29 N 0.74 0.01 -3.41 0.66 6.17 -1.91 -3.47 115.15 113.94 1oww h HIS 29 Ca 0.00 -0.01 -0.66 0.00 0.71 0.00 0.00 60.37 60.41 1oww h HIS 29 Cb 0.54 -0.00 -0.14 0.00 2.52 0.00 0.00 27.41 30.33 1oww h HIS 29 CO 0.05 1.01 -0.66 0.42 0.71 0.00 0.00 177.93 179.46 1oww s ILE 30 N -2.61 4.00 0.00 6.26 1.01 -1.26 -4.33 121.20 124.27 1oww s ILE 30 Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1oww s ILE 30 Cb 0.08 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1oww s ILE 30 CO 0.82 0.29 0.00 -0.24 0.00 0.00 0.00 174.94 175.82 1oww n SER 31 N 1.15 0.00 -4.94 3.58 2.88 -0.18 -4.90 113.62 111.20 1oww n SER 31 Ca -0.13 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.16 1oww n SER 31 Cb 0.52 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1oww s LYS 32 N 0.00 2.71 0.01 -1.46 1.02 -1.04 -4.06 119.74 116.92 1oww s LYS 32 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.66 1oww s LYS 32 Cb 0.00 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1oww s LYS 32 CO 0.00 -0.71 -0.11 0.71 -0.92 0.00 0.00 175.35 174.32 1oww s TYR 33 N -2.89 0.96 -0.05 3.18 2.02 -0.99 -2.27 117.35 117.32 1oww s TYR 33 Ca 0.55 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 57.06 1oww s TYR 33 Cb -0.10 -0.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1oww s TYR 33 CO 0.42 -0.01 -0.25 0.42 -1.57 0.00 0.00 175.55 174.56 1oww s ILE 34 N -0.52 2.11 -0.13 2.71 1.01 0.36 -1.00 121.20 125.74 1oww s ILE 34 Ca 0.02 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1oww s ILE 34 Cb -0.06 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 1oww s ILE 34 CO 0.00 0.57 -0.06 -0.76 0.00 0.00 0.00 174.94 174.69 1oww s LEU 35 N -0.24 3.12 0.07 2.97 1.43 -0.88 -0.90 118.68 124.26 1oww s LEU 35 Ca -0.01 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1oww s LEU 35 Cb -0.13 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1oww s LEU 35 CO 0.03 0.22 -0.11 0.00 0.23 0.00 0.00 176.35 176.72 1oww s ARG 36 N 0.06 0.76 -0.00 1.70 1.70 -0.34 -0.89 118.95 121.92 1oww s ARG 36 Ca -0.01 -0.98 -0.23 0.00 -0.47 0.00 0.00 55.73 54.04 1oww s ARG 36 Cb -0.14 -0.58 0.05 0.00 -0.57 0.00 0.00 34.95 33.71 1oww s ARG 36 CO 0.03 0.11 0.50 1.67 -1.08 0.00 0.00 175.30 176.53 1oww s TRP 37 N -1.75 -0.41 0.02 5.89 -2.14 -0.77 -0.97 118.94 118.82 1oww s TRP 37 Ca -0.01 0.60 -0.22 0.00 2.66 0.00 0.00 56.10 59.13 1oww s TRP 37 Cb -0.07 0.28 0.05 0.00 -3.10 0.00 0.00 33.47 30.62 1oww s TRP 37 CO 0.01 -0.55 0.50 -0.98 -2.66 0.00 0.00 176.95 173.27 1oww s ARG 38 N -1.71 0.98 0.60 3.25 1.70 -0.80 -2.31 118.95 120.66 1oww s ARG 38 Ca -0.10 -0.17 -0.14 0.00 -0.47 0.00 0.00 55.73 54.85 1oww s ARG 38 Cb -0.02 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1oww s ARG 38 CO 0.04 -0.34 1.03 -1.25 -1.08 0.00 0.00 175.30 173.70 1oww s PRO 39 N -2.14 3.45 -1.20 3.89 0.04 -1.26 -1.42 135.00 136.37 1oww s PRO 39 Ca -0.07 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 1oww s PRO 39 Cb -0.01 -2.06 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 1oww s PRO 39 CO 0.01 -0.69 1.92 1.63 0.04 0.00 0.00 177.00 179.91 1oww n LYS 40 N -2.25 1.70 0.00 4.56 4.76 -0.97 -4.01 118.16 121.95 1oww n LYS 40 Ca 0.07 -2.52 0.00 0.00 -2.87 0.00 0.00 58.31 53.00 1oww n LYS 40 Cb 0.53 -3.72 0.00 0.00 -1.84 0.00 0.00 35.03 30.01 1oww n LYS 40 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1oww n ASN 41 N 14.03 0.00 -4.96 4.39 3.02 -1.26 -5.01 115.26 125.48 1oww n ASN 41 Ca 0.45 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.78 1oww n ASN 41 Cb 0.46 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.65 1oww n ASN 41 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1oww s SER 42 N 1.60 5.67 -0.05 6.41 0.01 -1.26 -5.02 113.70 121.07 1oww s SER 42 Ca 0.00 0.19 0.14 0.00 1.31 0.00 0.00 55.95 57.59 1oww s SER 42 Cb 0.00 -1.32 0.27 0.00 0.21 0.00 0.00 66.02 65.18 1oww s SER 42 CO 0.00 -0.83 1.12 1.33 0.41 0.00 0.00 173.24 175.27 1oww n VAL 43 N -2.15 0.56 0.00 3.43 0.24 -1.26 -4.81 118.33 114.34 1oww n VAL 43 Ca 0.03 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1oww n VAL 43 Cb 0.58 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1oww n VAL 43 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oww n GLY 44 N -0.14 0.90 3.97 7.63 0.00 -1.26 -5.03 105.19 111.26 1oww n GLY 44 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1oww n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oww s ARG 45 N 0.22 2.95 0.32 1.61 0.52 -1.26 -5.12 118.95 118.18 1oww s ARG 45 Ca 0.00 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.30 1oww s ARG 45 Cb 0.00 -2.63 0.03 0.00 0.52 0.00 0.00 34.95 32.87 1oww s ARG 45 CO 0.00 -0.28 0.70 1.67 0.02 0.00 0.00 175.30 177.41 1oww s TRP 46 N -2.49 0.07 0.17 -0.53 1.48 -1.26 -4.98 118.94 111.40 1oww s TRP 46 Ca 0.50 -0.59 0.05 0.00 -1.06 0.00 0.00 56.10 55.01 1oww s TRP 46 Cb -0.10 0.65 -0.04 0.00 -1.16 0.00 0.00 33.47 32.82 1oww s TRP 46 CO 0.36 -1.33 0.12 0.15 -4.06 0.00 0.00 176.95 172.18 1oww s LYS 47 N -3.27 2.82 0.13 3.25 1.02 -0.98 -5.01 119.74 117.71 1oww s LYS 47 Ca 0.15 -0.92 -0.14 0.00 0.02 0.00 0.00 55.97 55.09 1oww s LYS 47 Cb -0.05 -2.60 0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1oww s LYS 47 CO 0.10 0.48 0.36 -1.83 -0.92 0.00 0.00 175.35 173.53 1oww s GLU 48 N -3.11 1.07 0.10 1.68 -1.05 -1.26 -1.84 118.70 114.29 1oww s GLU 48 Ca 0.30 -0.84 -0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1oww s GLU 48 Cb -0.10 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1oww s GLU 48 CO 0.23 -0.41 -0.00 0.00 0.95 0.00 0.00 175.26 176.03 1oww s ALA 49 N -3.85 0.81 -0.12 -0.84 0.00 -0.07 -5.00 121.76 112.70 1oww s ALA 49 Ca 0.06 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.67 1oww s ALA 49 Cb 0.02 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.64 1oww s ALA 49 CO -0.09 -0.38 -0.20 0.99 0.00 0.00 0.00 175.76 176.07 1oww s THR 50 N -3.88 1.88 -0.12 0.00 2.01 -1.26 -2.07 115.64 112.21 1oww s THR 50 Ca 0.16 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1oww s THR 50 Cb 0.07 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 1oww s THR 50 CO -0.03 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.71 1oww s ILE 51 N 0.73 3.60 1.00 1.82 1.09 -0.17 -5.01 121.20 124.26 1oww s ILE 51 Ca -0.10 -0.49 -0.12 0.00 -1.10 0.00 0.00 60.65 58.85 1oww s ILE 51 Cb -0.16 -2.52 0.19 0.00 -1.06 0.00 0.00 42.46 38.91 1oww s ILE 51 CO 0.01 0.54 1.08 -2.84 -0.10 0.00 0.00 174.94 173.63 1oww s PRO 52 N -0.08 0.37 0.39 2.79 0.02 -1.26 -2.34 135.00 134.89 1oww s PRO 52 Ca 0.00 1.04 0.26 0.00 0.02 0.00 0.00 61.00 62.33 1oww s PRO 52 Cb -0.13 -1.69 0.76 0.00 0.02 0.00 0.00 34.50 33.46 1oww s PRO 52 CO 0.03 -2.91 1.75 0.78 -0.33 0.00 0.00 177.00 176.32 1oww h GLY 53 N -2.05 0.00 1.60 0.52 0.00 -1.92 -3.10 103.07 98.12 1oww h GLY 53 Ca -0.52 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.60 1oww h GLY 53 CO 0.49 0.00 -1.14 1.12 0.00 0.00 0.00 176.54 177.01 1oww h HIS 54 N 0.00 0.00 -3.34 5.60 2.07 -1.92 -3.44 115.15 114.11 1oww h HIS 54 Ca 0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 1oww h HIS 54 Cb 0.75 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.67 1oww h HIS 54 CO 0.00 0.84 -0.01 -0.51 -3.07 0.00 0.00 177.93 175.19 1oww s LEU 55 N -6.37 4.32 -0.03 6.12 1.43 -1.17 -4.95 118.68 118.03 1oww s LEU 55 Ca -0.00 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1oww s LEU 55 Cb 0.09 -2.92 0.14 0.00 0.03 0.00 0.00 46.19 43.53 1oww s LEU 55 CO 0.81 -0.04 1.10 -0.46 0.23 0.00 0.00 176.35 177.98 1oww n ASN 56 N 3.58 2.35 -4.17 2.29 6.94 -1.26 -4.68 115.26 120.30 1oww n ASN 56 Ca -0.04 -2.26 -0.10 0.00 -0.02 0.00 0.00 54.58 52.15 1oww n ASN 56 Cb 0.51 -0.15 -0.10 0.00 -2.36 0.00 0.00 39.78 37.68 1oww n ASN 56 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1oww s SER 57 N -1.40 0.95 0.36 0.53 1.04 -1.26 -1.74 113.70 112.17 1oww s SER 57 Ca 0.13 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 1oww s SER 57 Cb 0.09 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1oww s SER 57 CO 0.04 -0.54 0.48 -0.47 0.98 0.00 0.00 173.24 173.72 1oww s TYR 58 N -3.73 1.16 -0.18 5.02 5.04 -0.75 -4.97 117.35 118.94 1oww s TYR 58 Ca 0.15 -1.36 -0.04 0.00 -2.44 0.00 0.00 57.07 53.38 1oww s TYR 58 Cb 0.06 -0.13 0.08 0.00 0.35 0.00 0.00 41.96 42.33 1oww s TYR 58 CO -0.03 -1.15 0.21 0.99 -1.34 0.00 0.00 175.55 174.23 1oww s THR 59 N -2.96 -0.32 -0.67 4.34 2.01 -1.26 -1.56 115.64 115.23 1oww s THR 59 Ca 0.31 -0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 1oww s THR 59 Cb -0.01 -0.60 0.13 0.00 0.01 0.00 0.00 72.50 72.03 1oww s THR 59 CO 0.22 -0.13 0.75 -0.63 -0.69 0.00 0.00 174.62 174.15 1oww s ILE 60 N 2.32 4.95 0.24 1.82 1.01 -0.91 -4.90 121.20 125.74 1oww s ILE 60 Ca 0.06 -1.31 0.06 0.00 0.00 0.00 0.00 60.65 59.46 1oww s ILE 60 Cb -0.15 -4.52 -0.03 0.00 0.01 0.00 0.00 42.46 37.77 1oww s ILE 60 CO -0.11 -1.15 0.25 -1.59 0.00 0.00 0.00 174.94 172.35 1oww s LYS 61 N 2.25 3.10 0.00 2.79 -2.85 -1.26 -1.36 119.74 122.42 1oww s LYS 61 Ca 0.14 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 1oww s LYS 61 Cb -0.20 -2.68 0.00 0.00 -2.06 0.00 0.00 37.83 32.89 1oww s LYS 61 CO 0.02 0.41 0.00 0.41 0.10 0.00 0.00 175.35 176.29 1oww n GLY 62 N -1.23 0.54 3.64 0.59 0.00 -0.90 -4.99 105.19 102.85 1oww n GLY 62 Ca -0.08 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1oww n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oww s LEU 63 N -1.33 2.81 0.18 0.99 1.43 -0.65 -5.07 118.68 117.04 1oww s LEU 63 Ca 0.00 -1.40 0.06 0.00 -1.03 0.00 0.00 54.13 51.76 1oww s LEU 63 Cb 0.00 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 1oww s LEU 63 CO 0.00 -0.51 0.11 -0.54 0.23 0.00 0.00 176.35 175.64 1oww s LYS 64 N -3.74 2.77 0.51 1.70 1.02 -1.23 -4.40 119.74 116.38 1oww s LYS 64 Ca 0.31 -0.96 -0.19 0.00 0.02 0.00 0.00 55.97 55.15 1oww s LYS 64 Cb 0.09 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.77 1oww s LYS 64 CO 0.16 0.46 1.03 -1.25 -0.92 0.00 0.00 175.35 174.83 1oww s PRO 65 N -3.18 3.75 -1.46 -1.68 0.04 -1.25 -4.30 135.00 126.92 1oww s PRO 65 Ca 0.30 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1oww s PRO 65 Cb -0.09 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1oww s PRO 65 CO 0.22 -0.46 0.70 0.41 0.04 0.00 0.00 177.00 177.92 1oww n GLY 66 N -0.59 -0.51 3.25 0.56 0.00 -0.80 -4.95 105.19 102.14 1oww n GLY 66 Ca 0.09 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1oww n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oww s VAL 67 N -3.15 1.70 -0.20 1.61 0.11 -0.97 -5.00 120.40 114.50 1oww s VAL 67 Ca 0.42 -1.13 -0.12 0.00 -2.93 0.00 0.00 61.98 58.22 1oww s VAL 67 Cb -0.20 -1.46 -0.05 0.00 -1.53 0.00 0.00 36.38 33.15 1oww s VAL 67 CO 0.52 0.29 0.20 0.54 -3.33 0.00 0.00 175.10 173.31 1oww s VAL 68 N -0.72 5.36 0.13 2.04 0.11 -1.26 -2.21 120.40 123.84 1oww s VAL 68 Ca 0.08 0.32 0.07 0.00 -2.93 0.00 0.00 61.98 59.51 1oww s VAL 68 Cb -0.09 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 1oww s VAL 68 CO 0.01 0.39 -0.05 -0.31 -3.33 0.00 0.00 175.10 171.81 1oww s TYR 69 N 0.64 2.82 -0.04 1.54 2.02 -0.36 -2.30 117.35 121.66 1oww s TYR 69 Ca 0.11 -0.12 -0.15 0.00 -0.37 0.00 0.00 57.07 56.54 1oww s TYR 69 Cb -0.12 -1.43 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 1oww s TYR 69 CO 0.02 0.47 0.40 -2.00 -1.57 0.00 0.00 175.55 172.87 1oww s GLU 70 N -2.49 4.02 0.08 -0.62 2.56 -0.51 -1.93 118.70 119.82 1oww s GLU 70 Ca 0.24 0.36 0.02 0.00 0.00 0.00 0.00 54.97 55.60 1oww s GLU 70 Cb -0.11 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.71 1oww s GLU 70 CO 0.16 0.55 -0.08 0.20 -0.56 0.00 0.00 175.26 175.53 1oww s GLY 71 N -0.59 0.72 -0.06 -1.50 0.00 -0.93 -1.91 107.32 103.05 1oww s GLY 71 Ca 0.23 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1oww s GLY 71 CO 0.11 -1.26 0.17 1.20 0.00 0.00 0.00 173.10 173.32 1oww s GLN 72 N -3.07 0.19 -0.44 2.90 -0.21 -0.14 -1.98 119.66 116.91 1oww s GLN 72 Ca 0.05 0.25 -0.00 0.00 0.02 0.00 0.00 55.36 55.68 1oww s GLN 72 Cb -0.00 0.07 0.12 0.00 1.00 0.00 0.00 33.01 34.19 1oww s GLN 72 CO -0.03 -0.04 0.21 -1.17 -2.12 0.00 0.00 175.29 172.14 1oww s LEU 73 N 0.20 5.01 -0.11 2.90 2.96 -0.61 -1.20 118.68 127.83 1oww s LEU 73 Ca -0.01 -2.31 -0.20 0.00 -0.22 0.00 0.00 54.13 51.38 1oww s LEU 73 Cb -0.02 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1oww s LEU 73 CO -0.01 -0.43 0.58 -0.63 -1.32 0.00 0.00 176.35 174.54 1oww s ILE 74 N 0.71 5.11 -0.20 6.68 1.01 -0.07 -1.78 121.20 132.66 1oww s ILE 74 Ca 0.11 1.17 -0.00 0.00 0.00 0.00 0.00 60.65 61.93 1oww s ILE 74 Cb -0.22 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.35 1oww s ILE 74 CO -0.05 0.26 -0.15 -0.94 0.00 0.00 0.00 174.94 174.07 1oww s SER 75 N 0.79 3.56 -0.12 3.58 1.04 -0.06 -0.49 113.70 122.01 1oww s SER 75 Ca 0.31 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 1oww s SER 75 Cb -0.16 -1.55 -0.05 0.00 0.10 0.00 0.00 66.02 64.36 1oww s SER 75 CO 0.13 -0.03 0.38 -0.63 0.98 0.00 0.00 173.24 174.07 1oww s ILE 76 N 1.32 5.22 0.05 -1.02 1.09 -0.96 -1.61 121.20 125.29 1oww s ILE 76 Ca 0.04 0.75 -0.11 0.00 -1.10 0.00 0.00 60.65 60.22 1oww s ILE 76 Cb -0.14 -3.71 -0.06 0.00 -1.06 0.00 0.00 42.46 37.49 1oww s ILE 76 CO -0.10 0.40 0.40 -1.10 -0.10 0.00 0.00 174.94 174.44 1oww s GLN 77 N 0.28 3.81 -0.28 2.79 1.11 -0.92 -1.02 119.66 125.43 1oww s GLN 77 Ca 0.21 0.26 -0.29 0.00 0.01 0.00 0.00 55.36 55.55 1oww s GLN 77 Cb -0.14 -3.07 -0.02 0.00 -1.01 0.00 0.00 33.01 28.77 1oww s GLN 77 CO 0.08 0.60 1.69 -1.14 0.01 0.00 0.00 175.29 176.53 1oww s GLN 78 N -1.63 3.58 -1.36 2.91 0.74 -1.26 -2.84 119.66 119.80 1oww s GLN 78 Ca 0.30 1.53 -0.06 0.00 0.05 0.00 0.00 55.36 57.17 1oww s GLN 78 Cb -0.15 -4.11 0.03 0.00 1.10 0.00 0.00 33.01 29.88 1oww s GLN 78 CO 0.16 -1.56 0.95 0.66 -0.55 0.00 0.00 175.29 174.96 1oww n TYR 79 N 9.27 -2.31 0.00 1.67 4.01 -1.26 -4.87 117.16 123.68 1oww n TYR 79 Ca 0.20 0.92 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 1oww n TYR 79 Cb 0.46 -4.56 0.00 0.00 -0.31 0.00 0.00 39.34 34.93 1oww n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oww n GLY 80 N -1.63 2.50 3.94 2.72 0.00 -1.13 -5.18 105.19 106.41 1oww n GLY 80 Ca -0.13 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1oww n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oww s HIS 81 N 2.15 1.79 -0.11 1.61 3.76 -1.26 -4.87 115.29 118.37 1oww s HIS 81 Ca 0.00 0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 55.13 1oww s HIS 81 Cb 0.00 -3.79 0.04 0.00 1.11 0.00 0.00 32.58 29.94 1oww s HIS 81 CO 0.00 -2.31 0.05 -1.14 -0.85 0.00 0.00 174.74 170.48 1oww s GLN 82 N -5.68 0.26 0.04 1.40 0.74 -1.26 -2.17 119.66 112.99 1oww s GLN 82 Ca 0.71 0.07 0.01 0.00 0.05 0.00 0.00 55.36 56.19 1oww s GLN 82 Cb -0.05 -1.22 -0.04 0.00 1.10 0.00 0.00 33.01 32.80 1oww s GLN 82 CO 0.50 -0.46 0.09 -2.00 -0.55 0.00 0.00 175.29 172.87 1oww s GLU 83 N 2.06 2.99 -0.07 1.67 2.12 -0.63 -4.98 118.70 121.85 1oww s GLU 83 Ca 0.03 -0.59 0.05 0.00 0.36 0.00 0.00 54.97 54.83 1oww s GLU 83 Cb -0.14 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 1oww s GLU 83 CO -0.06 0.60 -0.24 0.54 -0.54 0.00 0.00 175.26 175.57 1oww s VAL 84 N -1.31 2.17 -0.08 3.70 0.11 -1.26 -0.88 120.40 122.85 1oww s VAL 84 Ca 0.27 -1.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1oww s VAL 84 Cb -0.12 -1.80 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 1oww s VAL 84 CO 0.19 0.57 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.56 1oww s THR 85 N -0.05 3.61 0.07 5.04 2.01 -0.73 -4.69 115.64 120.89 1oww s THR 85 Ca -0.07 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1oww s THR 85 Cb -0.15 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1oww s THR 85 CO 0.05 0.58 -0.12 0.00 -0.69 0.00 0.00 174.62 174.44 1oww s ARG 86 N -0.62 0.74 0.24 4.92 1.70 -1.26 -1.57 118.95 123.10 1oww s ARG 86 Ca 0.09 -0.92 -0.21 0.00 -0.47 0.00 0.00 55.73 54.22 1oww s ARG 86 Cb -0.12 -0.67 0.05 0.00 -0.57 0.00 0.00 34.95 33.65 1oww s ARG 86 CO 0.02 0.14 0.88 -0.59 -1.08 0.00 0.00 175.30 174.67 1oww s PHE 87 N -1.37 -0.05 0.05 5.89 -0.12 -0.84 -5.00 117.98 116.55 1oww s PHE 87 Ca -0.04 -0.40 0.07 0.00 -0.05 0.00 0.00 56.93 56.51 1oww s PHE 87 Cb -0.10 0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1oww s PHE 87 CO 0.02 -1.12 -0.20 0.34 -0.05 0.00 0.00 175.22 174.21 1oww s ASP 88 N -3.06 2.35 0.18 1.98 2.15 -1.26 -2.19 116.67 116.81 1oww s ASP 88 Ca 0.15 -0.54 -0.01 0.00 0.43 0.00 0.00 52.55 52.57 1oww s ASP 88 Cb -0.04 -0.18 -0.04 0.00 -0.30 0.00 0.00 42.92 42.37 1oww s ASP 88 CO 0.06 0.12 0.10 0.72 -0.17 0.00 0.00 175.17 176.00 1oww s PHE 89 N -0.88 1.07 0.01 -5.34 -0.71 -0.81 -4.93 117.98 106.39 1oww s PHE 89 Ca 0.06 -1.30 0.04 0.00 -1.04 0.00 0.00 56.93 54.69 1oww s PHE 89 Cb -0.09 -0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 41.15 1oww s PHE 89 CO 0.02 -0.56 -0.13 0.99 -1.34 0.00 0.00 175.22 174.20 1oww s THR 90 N -4.08 1.01 -0.09 -4.49 2.01 -1.26 -1.23 115.64 107.51 1oww s THR 90 Ca 0.33 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1oww s THR 90 Cb 0.07 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1oww s THR 90 CO 0.08 0.18 -0.09 0.42 -0.69 0.00 0.00 174.62 174.52 1oww s THR 91 N -0.48 3.49 0.06 -0.82 -4.23 -0.94 -4.97 115.64 107.74 1oww s THR 91 Ca 0.04 -0.54 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1oww s THR 91 Cb -0.06 -2.44 -0.00 0.00 1.34 0.00 0.00 72.50 71.34 1oww s THR 91 CO 0.00 0.57 0.17 0.28 -0.54 0.00 0.00 174.62 175.11 1oww s THR 92 N -0.44 0.13 -2.20 3.99 -1.32 -1.25 -1.91 115.64 112.64 1oww s THR 92 Ca 0.06 -1.04 0.30 0.00 -1.21 0.00 0.00 61.69 59.80 1oww s THR 92 Cb -0.12 -1.07 0.77 0.00 -1.51 0.00 0.00 72.50 70.57 1oww s THR 92 CO 0.02 -0.58 2.04 -1.54 -2.21 0.00 0.00 174.62 172.35