#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 0.19 3.77 0.46 0.00 -1.26 -5.14 105.19 103.21 1oww n GLY 2 Ca 0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1oww n GLY 2 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1oww s PRO 3 N -2.00 4.10 0.58 1.61 0.02 -1.26 -4.96 135.00 133.09 1oww s PRO 3 Ca 0.00 2.60 -0.14 0.00 0.02 0.00 0.00 61.00 63.47 1oww s PRO 3 Cb 0.00 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.50 1oww s PRO 3 CO 0.00 -0.58 1.02 0.08 -0.33 0.00 0.00 177.00 177.20 1oww s VAL 4 N -0.86 4.31 -0.47 3.83 1.01 -1.26 -5.02 120.40 121.93 1oww s VAL 4 Ca 0.55 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 1oww s VAL 4 Cb -0.47 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 32.41 1oww s VAL 4 CO 0.60 -0.77 0.31 -1.61 0.00 0.00 0.00 175.10 173.64 1oww s GLU 5 N -4.46 2.33 -0.02 2.72 0.41 -1.26 -4.98 118.70 113.44 1oww s GLU 5 Ca 0.59 -1.89 0.06 0.00 -0.41 0.00 0.00 54.97 53.32 1oww s GLU 5 Cb -0.12 -3.79 -0.02 0.00 -1.78 0.00 0.00 34.13 28.43 1oww s GLU 5 CO 0.41 -1.15 -0.22 0.54 -0.49 0.00 0.00 175.26 174.36 1oww s VAL 6 N 1.08 1.71 0.35 2.63 0.11 -1.26 -1.20 120.40 123.83 1oww s VAL 6 Ca 0.08 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1oww s VAL 6 Cb -0.24 -1.43 -0.01 0.00 -1.53 0.00 0.00 36.38 33.17 1oww s VAL 6 CO -0.03 0.49 0.41 -0.36 -3.33 0.00 0.00 175.10 172.28 1oww s PHE 7 N -0.44 1.39 -0.04 1.54 0.08 -0.98 -5.02 117.98 114.50 1oww s PHE 7 Ca 0.07 -1.48 0.00 0.00 0.12 0.00 0.00 56.93 55.64 1oww s PHE 7 Cb -0.09 -0.34 0.02 0.00 -0.57 0.00 0.00 43.02 42.05 1oww s PHE 7 CO -0.00 -1.06 -0.02 -1.50 -0.10 0.00 0.00 175.22 172.54 1oww s ILE 8 N -3.10 0.36 0.00 0.64 -1.16 -1.26 -3.09 121.20 113.59 1oww s ILE 8 Ca 0.35 0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.49 1oww s ILE 8 Cb 0.00 -0.44 0.00 0.00 0.61 0.00 0.00 42.46 42.63 1oww s ILE 8 CO 0.24 0.20 0.12 1.07 -2.81 0.00 0.00 174.94 173.77 1oww n THR 9 N 4.29 0.00 0.04 4.00 5.66 -1.26 -4.96 114.28 122.04 1oww n THR 9 Ca -0.22 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.71 1oww n THR 9 Cb 0.50 0.28 -0.12 0.00 -1.55 0.00 0.00 70.33 69.44 1oww n THR 9 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1oww h GLU 10 N 0.00 0.00 -3.78 1.09 4.81 -1.94 -3.44 114.58 111.32 1oww h GLU 10 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1oww h GLU 10 Cb 0.96 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.07 1oww h GLU 10 CO 0.00 0.84 -0.72 -0.08 -0.73 0.00 0.00 179.01 178.31 1oww s THR 11 N -2.68 0.04 -0.34 0.32 -1.32 -1.26 -5.05 115.64 105.34 1oww s THR 11 Ca -0.01 -0.06 0.22 0.00 -1.21 0.00 0.00 61.69 60.63 1oww s THR 11 Cb 0.09 -0.05 0.19 0.00 -1.51 0.00 0.00 72.50 71.22 1oww s THR 11 CO 0.82 -0.02 1.36 1.55 -2.21 0.00 0.00 174.62 176.12 1oww h PRO 12 N 6.06 0.00 -1.55 7.08 0.13 -1.98 -3.45 132.00 138.30 1oww h PRO 12 Ca -0.25 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1oww h PRO 12 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1oww h PRO 12 CO 0.50 0.02 -0.27 -1.12 -0.23 0.00 0.00 178.00 176.90 1oww s SER 13 N -5.87 -0.98 -0.26 1.44 0.01 -1.26 -4.92 113.70 101.85 1oww s SER 13 Ca 0.04 0.99 -0.08 0.00 1.31 0.00 0.00 55.95 58.21 1oww s SER 13 Cb 0.07 1.98 0.12 0.00 0.21 0.00 0.00 66.02 68.40 1oww s SER 13 CO 0.72 -0.25 0.56 -1.58 0.41 0.00 0.00 173.24 173.10 1oww s GLN 14 N 2.80 0.48 0.23 12.44 2.00 -1.06 -4.92 119.66 131.63 1oww s GLN 14 Ca 0.10 1.26 0.22 0.00 -2.00 0.00 0.00 55.36 54.94 1oww s GLN 14 Cb -0.14 0.63 0.04 0.00 0.80 0.00 0.00 33.01 34.35 1oww s GLN 14 CO -0.19 -0.26 1.13 -1.00 -0.50 0.00 0.00 175.29 174.47 1oww h PRO 15 N 8.07 0.00 0.00 1.67 0.13 -1.93 -3.32 132.00 136.62 1oww h PRO 15 Ca -0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.84 1oww h PRO 15 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1oww h PRO 15 CO 0.12 0.04 -1.42 0.27 -0.23 0.00 0.00 178.00 176.78 1oww n ASN 16 N -2.79 3.43 -4.83 1.44 6.94 -1.26 -2.86 115.26 115.33 1oww n ASN 16 Ca -0.00 -0.04 -0.27 0.00 -0.02 0.00 0.00 54.58 54.25 1oww n ASN 16 Cb 0.58 -0.08 -0.05 0.00 -2.36 0.00 0.00 39.78 37.87 1oww n ASN 16 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1oww s SER 17 N -4.67 5.72 -0.35 0.53 0.01 -1.26 -1.61 113.70 112.06 1oww s SER 17 Ca -0.10 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1oww s SER 17 Cb 0.03 -1.56 0.14 0.00 0.21 0.00 0.00 66.02 64.84 1oww s SER 17 CO 0.18 0.08 0.22 -2.28 0.41 0.00 0.00 173.24 171.84 1oww s HIS 18 N -1.71 0.72 -0.24 2.43 2.46 -0.46 -4.65 115.29 113.85 1oww s HIS 18 Ca 0.32 -1.64 -0.26 0.00 0.47 0.00 0.00 55.06 53.94 1oww s HIS 18 Cb -0.11 -0.91 0.00 0.00 -0.13 0.00 0.00 32.58 31.44 1oww s HIS 18 CO 0.24 -0.83 0.91 -1.25 -2.47 0.00 0.00 174.74 171.35 1oww s PRO 19 N 1.03 4.22 0.48 2.88 0.04 -1.26 -2.27 135.00 140.11 1oww s PRO 19 Ca 0.19 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.42 1oww s PRO 19 Cb -0.22 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 30.70 1oww s PRO 19 CO 0.00 -0.56 0.51 0.96 0.04 0.00 0.00 177.00 177.95 1oww s ILE 20 N 2.98 2.37 -0.02 0.56 -4.36 -0.93 -4.44 121.20 117.36 1oww s ILE 20 Ca 0.39 -1.24 -0.15 0.00 -0.26 0.00 0.00 60.65 59.38 1oww s ILE 20 Cb -0.15 -2.62 0.02 0.00 1.25 0.00 0.00 42.46 40.97 1oww s ILE 20 CO 0.07 0.00 0.32 0.00 0.24 0.00 0.00 174.94 175.57 1oww s GLN 21 N -4.32 0.66 0.10 0.37 -2.07 -1.18 -1.27 119.66 111.95 1oww s GLN 21 Ca 0.49 -0.14 0.03 0.00 -1.82 0.00 0.00 55.36 53.91 1oww s GLN 21 Cb -0.05 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1oww s GLN 21 CO 0.30 -0.18 -0.08 1.67 -1.32 0.00 0.00 175.29 175.67 1oww s TRP 22 N -1.24 0.96 0.47 9.60 -2.14 -0.56 -2.31 118.94 123.72 1oww s TRP 22 Ca -0.13 -0.76 0.08 0.00 2.66 0.00 0.00 56.10 57.95 1oww s TRP 22 Cb -0.05 -0.54 0.08 0.00 -3.10 0.00 0.00 33.47 29.86 1oww s TRP 22 CO 0.04 -0.07 0.65 -1.71 -2.66 0.00 0.00 176.95 173.21 1oww n ASN 23 N 0.34 1.68 -3.88 -2.66 5.15 -0.34 -4.76 115.26 110.78 1oww n ASN 23 Ca -0.15 -2.23 -0.08 0.00 -0.60 0.00 0.00 54.58 51.52 1oww n ASN 23 Cb 0.59 -0.35 -0.04 0.00 -0.53 0.00 0.00 39.78 39.45 1oww n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oww s ALA 24 N -2.58 -0.67 0.98 5.20 0.00 -1.26 -4.38 121.76 119.04 1oww s ALA 24 Ca 0.49 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1oww s ALA 24 Cb -0.04 0.96 0.18 0.00 0.00 0.00 0.00 23.12 24.22 1oww s ALA 24 CO 0.31 -0.94 1.09 -2.14 0.00 0.00 0.00 175.76 174.09 1oww s PRO 25 N -3.89 0.55 -0.13 0.00 0.02 -1.26 -5.00 135.00 125.29 1oww s PRO 25 Ca 0.17 1.12 -0.18 0.00 0.02 0.00 0.00 61.00 62.14 1oww s PRO 25 Cb -0.03 -1.70 -0.16 0.00 0.02 0.00 0.00 34.50 32.62 1oww s PRO 25 CO 0.08 -2.81 0.46 1.96 -0.33 0.00 0.00 177.00 176.36 1oww h GLN 26 N -1.98 0.00 -7.50 5.54 7.50 -2.02 -3.46 115.11 113.19 1oww h GLN 26 Ca -0.50 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 58.20 1oww h GLN 26 Cb 1.29 0.00 0.15 0.00 0.05 0.00 0.00 27.48 28.97 1oww h GLN 26 CO 0.48 0.62 0.27 -1.25 -1.50 0.00 0.00 178.83 177.45 1oww s PRO 27 N -1.98 0.58 -1.07 1.46 0.04 -1.26 -4.93 135.00 127.84 1oww s PRO 27 Ca -0.12 0.17 -0.20 0.00 0.04 0.00 0.00 61.00 60.89 1oww s PRO 27 Cb -0.02 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.83 1oww s PRO 27 CO 0.43 -2.56 1.41 0.45 0.04 0.00 0.00 177.00 176.77 1oww s SER 28 N -4.03 6.67 -0.08 6.66 0.15 -1.26 -4.53 113.70 117.27 1oww s SER 28 Ca 0.66 -1.98 0.05 0.00 0.70 0.00 0.00 55.95 55.38 1oww s SER 28 Cb -0.13 -2.50 -0.08 0.00 -1.71 0.00 0.00 66.02 61.59 1oww s SER 28 CO 0.54 -1.23 -0.01 1.57 1.20 0.00 0.00 173.24 175.31 1oww n HIS 29 N 7.76 0.00 -4.43 3.44 -0.00 -1.26 -4.94 115.22 115.79 1oww n HIS 29 Ca 0.34 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.72 1oww n HIS 29 Cb 0.49 -0.37 -0.11 0.00 -0.00 0.00 0.00 29.99 29.99 1oww n HIS 29 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1oww s ILE 30 N -2.19 3.99 0.00 3.57 1.09 -1.26 -2.96 121.20 123.44 1oww s ILE 30 Ca -0.06 -0.34 0.00 0.00 -1.10 0.00 0.00 60.65 59.14 1oww s ILE 30 Cb 0.03 -2.71 0.00 0.00 -1.06 0.00 0.00 42.46 38.72 1oww s ILE 30 CO 0.28 0.54 0.00 -1.54 -0.10 0.00 0.00 174.94 174.13 1oww n SER 31 N 2.91 0.00 -4.95 3.58 3.41 -0.03 -4.87 113.62 113.67 1oww n SER 31 Ca -0.18 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.20 1oww n SER 31 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1oww n SER 31 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1oww s LYS 32 N 0.00 3.37 -0.03 4.33 2.20 -1.04 -3.77 119.74 124.81 1oww s LYS 32 Ca 0.00 -0.40 0.05 0.00 -0.36 0.00 0.00 55.97 55.26 1oww s LYS 32 Cb 0.00 -2.64 -0.01 0.00 -1.51 0.00 0.00 37.83 33.67 1oww s LYS 32 CO 0.00 0.05 -0.18 0.71 -0.36 0.00 0.00 175.35 175.57 1oww s TYR 33 N -2.37 1.67 -0.16 4.03 2.02 -0.84 -1.45 117.35 120.26 1oww s TYR 33 Ca 0.42 -0.38 -0.04 0.00 -0.37 0.00 0.00 57.07 56.70 1oww s TYR 33 Cb -0.10 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.34 1oww s TYR 33 CO 0.36 -0.08 -0.04 0.42 -1.57 0.00 0.00 175.55 174.64 1oww s ILE 34 N -0.25 3.86 -0.11 2.71 -1.09 -0.08 -1.35 121.20 124.89 1oww s ILE 34 Ca 0.03 -0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1oww s ILE 34 Cb -0.09 -2.69 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1oww s ILE 34 CO 0.00 0.49 -0.04 -0.76 -1.23 0.00 0.00 174.94 173.40 1oww s LEU 35 N 0.45 3.30 0.20 2.97 1.43 -0.87 -1.37 118.68 124.78 1oww s LEU 35 Ca -0.04 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1oww s LEU 35 Cb -0.14 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 1oww s LEU 35 CO 0.03 0.29 -0.17 -0.13 0.23 0.00 0.00 176.35 176.60 1oww s ARG 36 N -0.34 1.36 -0.08 1.70 0.52 0.38 -0.86 118.95 121.62 1oww s ARG 36 Ca 0.06 -1.55 -0.15 0.00 -0.52 0.00 0.00 55.73 53.57 1oww s ARG 36 Cb -0.12 -1.29 0.03 0.00 0.52 0.00 0.00 34.95 34.09 1oww s ARG 36 CO 0.02 0.24 0.36 1.67 0.02 0.00 0.00 175.30 177.61 1oww s TRP 37 N -2.57 -0.31 -0.18 -0.53 -2.14 -0.79 -1.71 118.94 110.71 1oww s TRP 37 Ca 0.21 0.66 -0.15 0.00 2.66 0.00 0.00 56.10 59.48 1oww s TRP 37 Cb -0.03 0.13 0.05 0.00 -3.10 0.00 0.00 33.47 30.52 1oww s TRP 37 CO 0.08 -0.31 0.48 0.50 -2.66 0.00 0.00 176.95 175.04 1oww s ARG 38 N -0.59 0.54 -0.12 3.25 3.52 -0.52 -1.52 118.95 123.52 1oww s ARG 38 Ca -0.07 0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 55.96 1oww s ARG 38 Cb -0.04 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 1oww s ARG 38 CO 0.03 -0.09 1.37 -1.25 -0.81 0.00 0.00 175.30 174.55 1oww s PRO 39 N 0.55 4.23 -1.04 5.12 0.04 -1.26 -0.95 135.00 141.69 1oww s PRO 39 Ca -0.02 1.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 1oww s PRO 39 Cb -0.04 -3.79 -0.08 0.00 0.04 0.00 0.00 34.50 30.62 1oww s PRO 39 CO -0.03 -0.72 2.17 1.17 0.04 0.00 0.00 177.00 179.64 1oww n LYS 40 N 6.56 2.21 0.07 4.56 4.81 -0.59 -2.81 118.16 132.96 1oww n LYS 40 Ca 0.15 -1.86 0.00 0.00 -0.87 0.00 0.00 58.31 55.72 1oww n LYS 40 Cb 0.44 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1oww n LYS 40 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1oww n ASN 41 N 5.56 -1.23 -4.93 3.14 2.85 -1.26 -4.82 115.26 114.57 1oww n ASN 41 Ca 0.52 0.28 -0.25 0.00 -0.11 0.00 0.00 54.58 55.01 1oww n ASN 41 Cb 0.28 1.46 0.03 0.00 1.24 0.00 0.00 39.78 42.80 1oww n ASN 41 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1oww s SER 42 N -2.00 5.50 -0.39 1.20 0.01 -1.12 -5.02 113.70 111.88 1oww s SER 42 Ca 0.00 0.51 0.05 0.00 1.31 0.00 0.00 55.95 57.82 1oww s SER 42 Cb 0.00 -1.50 0.45 0.00 0.21 0.00 0.00 66.02 65.19 1oww s SER 42 CO 0.00 -1.07 1.35 1.33 0.41 0.00 0.00 173.24 175.26 1oww n VAL 43 N -2.50 2.73 -1.03 3.43 0.24 -1.26 -4.88 118.33 115.07 1oww n VAL 43 Ca 0.05 -4.08 0.00 0.00 -2.04 0.00 0.00 64.34 58.27 1oww n VAL 43 Cb 0.58 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 -0.72 1.14 3.98 7.63 0.00 -1.26 -5.12 105.19 110.85 1oww n GLY 44 Ca 0.47 -1.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 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 2.11 2.63 0.56 1.61 1.81 -1.26 -5.09 118.95 121.33 1oww s ARG 45 Ca 0.00 -1.42 -0.05 0.00 -1.72 0.00 0.00 55.73 52.54 1oww s ARG 45 Cb 0.00 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 31.88 1oww s ARG 45 CO 0.00 -0.39 0.86 -1.58 -0.68 0.00 0.00 175.30 173.51 1oww s TRP 46 N -2.46 3.28 0.18 -0.53 0.52 -1.26 -4.85 118.94 113.83 1oww s TRP 46 Ca 0.54 0.62 0.07 0.00 0.02 0.00 0.00 56.10 57.34 1oww s TRP 46 Cb -0.07 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 1oww s TRP 46 CO 0.33 -0.72 0.06 0.15 0.02 0.00 0.00 176.95 176.79 1oww s LYS 47 N -4.92 2.61 0.10 4.98 1.02 -0.57 -5.01 119.74 117.96 1oww s LYS 47 Ca 0.53 -1.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.33 1oww s LYS 47 Cb -0.10 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 1oww s LYS 47 CO 0.44 0.45 0.33 -1.83 -0.92 0.00 0.00 175.35 173.83 1oww s GLU 48 N -3.14 0.97 0.12 1.68 -1.05 -1.26 -1.89 118.70 114.13 1oww s GLU 48 Ca 0.29 -0.73 0.03 0.00 -0.15 0.00 0.00 54.97 54.41 1oww s GLU 48 Cb -0.09 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 1oww s GLU 48 CO 0.21 -0.35 -0.08 0.00 0.95 0.00 0.00 175.26 175.98 1oww s ALA 49 N -3.59 1.16 -0.14 -0.84 0.00 -0.04 -5.00 121.76 113.31 1oww s ALA 49 Ca 0.02 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.64 1oww s ALA 49 Cb 0.02 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1oww s ALA 49 CO -0.10 -0.15 -0.22 0.99 0.00 0.00 0.00 175.76 176.28 1oww s THR 50 N -3.32 2.08 -0.13 0.00 2.01 -1.26 -2.05 115.64 112.96 1oww s THR 50 Ca 0.12 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.16 1oww s THR 50 Cb 0.03 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1oww s THR 50 CO -0.02 0.55 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.67 1oww s ILE 51 N 0.76 1.65 1.05 1.82 1.01 -0.45 -5.01 121.20 122.02 1oww s ILE 51 Ca -0.08 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 1oww s ILE 51 Cb -0.16 -1.51 0.22 0.00 0.01 0.00 0.00 42.46 41.01 1oww s ILE 51 CO -0.01 0.47 1.07 -2.84 0.00 0.00 0.00 174.94 173.64 1oww s PRO 52 N 1.18 0.05 -1.15 2.79 0.02 -1.26 -1.98 135.00 134.65 1oww s PRO 52 Ca -0.01 0.62 -0.17 0.00 0.02 0.00 0.00 61.00 61.47 1oww s PRO 52 Cb -0.14 -1.68 0.13 0.00 0.02 0.00 0.00 34.50 32.83 1oww s PRO 52 CO -0.06 -3.02 1.43 0.20 -0.33 0.00 0.00 177.00 175.22 1oww s GLY 53 N -3.18 2.04 0.00 0.52 0.00 -1.25 -3.79 107.32 101.66 1oww s GLY 53 Ca 0.66 -3.04 0.00 0.00 0.00 0.00 0.00 44.72 42.34 1oww s GLY 53 CO 0.60 2.24 0.00 -2.39 0.00 0.00 0.00 173.10 173.55 1oww n HIS 54 N 6.72 -0.90 -3.26 1.90 1.44 -1.26 -5.03 115.22 114.83 1oww n HIS 54 Ca 0.36 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.69 1oww n HIS 54 Cb 0.46 0.21 -0.06 0.00 0.12 0.00 0.00 29.99 30.71 1oww n HIS 54 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1oww s LEU 55 N -3.82 4.44 0.00 2.39 1.43 -1.25 -4.96 118.68 116.92 1oww s LEU 55 Ca 0.00 1.14 0.09 0.00 -1.03 0.00 0.00 54.13 54.33 1oww s LEU 55 Cb 0.00 -2.87 0.16 0.00 0.03 0.00 0.00 46.19 43.52 1oww s LEU 55 CO 0.00 0.16 1.00 -0.46 0.23 0.00 0.00 176.35 177.29 1oww n ASN 56 N 2.42 2.27 -3.91 2.29 0.23 -1.26 -4.96 115.26 112.34 1oww n ASN 56 Ca -0.09 -1.70 -0.10 0.00 -0.53 0.00 0.00 54.58 52.16 1oww n ASN 56 Cb 0.51 -0.10 -0.10 0.00 -2.08 0.00 0.00 39.78 38.01 1oww n ASN 56 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1oww s SER 57 N -0.88 0.11 0.39 0.53 1.04 -1.26 -1.50 113.70 112.14 1oww s SER 57 Ca 0.15 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.28 1oww s SER 57 Cb 0.09 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1oww s SER 57 CO 0.12 -0.35 0.07 -0.47 0.98 0.00 0.00 173.24 173.58 1oww s TYR 58 N -1.49 1.95 -0.18 5.02 5.04 -0.40 -4.98 117.35 122.32 1oww s TYR 58 Ca -0.15 -1.03 -0.04 0.00 -2.44 0.00 0.00 57.07 53.41 1oww s TYR 58 Cb -0.08 -1.36 0.06 0.00 0.35 0.00 0.00 41.96 40.93 1oww s TYR 58 CO 0.00 -0.00 0.08 0.99 -1.34 0.00 0.00 175.55 175.28 1oww s THR 59 N -3.13 0.05 0.23 4.34 2.01 -1.26 -2.19 115.64 115.69 1oww s THR 59 Ca 0.27 -0.29 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 1oww s THR 59 Cb 0.06 -0.70 -0.08 0.00 0.01 0.00 0.00 72.50 71.79 1oww s THR 59 CO 0.13 -0.29 0.64 -0.63 -0.69 0.00 0.00 174.62 173.78 1oww s ILE 60 N 2.07 4.76 0.10 1.82 1.01 -0.96 -4.94 121.20 125.05 1oww s ILE 60 Ca 0.02 0.89 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 1oww s ILE 60 Cb -0.16 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1oww s ILE 60 CO -0.10 0.06 0.05 -0.54 0.00 0.00 0.00 174.94 174.40 1oww s LYS 61 N -2.40 0.80 0.00 2.79 1.02 -1.26 -1.35 119.74 119.34 1oww s LYS 61 Ca 0.45 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1oww s LYS 61 Cb -0.13 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1oww s LYS 61 CO 0.20 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 1oww n GLY 62 N -0.01 0.50 3.68 -3.33 0.00 -1.02 -4.99 105.19 100.02 1oww n GLY 62 Ca -0.10 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.65 2.66 0.21 0.99 1.43 -0.64 -5.08 118.68 116.61 1oww s LEU 63 Ca 0.00 -1.47 0.08 0.00 -1.03 0.00 0.00 54.13 51.71 1oww s LEU 63 Cb 0.00 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1oww s LEU 63 CO 0.00 -0.62 0.04 -0.54 0.23 0.00 0.00 176.35 175.46 1oww s LYS 64 N -3.79 2.49 0.67 1.70 1.02 -1.25 -4.44 119.74 116.13 1oww s LYS 64 Ca 0.24 -1.18 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 1oww s LYS 64 Cb 0.06 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1oww s LYS 64 CO 0.12 0.42 1.06 -1.25 -0.92 0.00 0.00 175.35 174.78 1oww s PRO 65 N -3.32 3.20 -1.92 -1.68 0.04 -1.13 -4.41 135.00 125.78 1oww s PRO 65 Ca 0.30 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1oww s PRO 65 Cb -0.08 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1oww s PRO 65 CO 0.20 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1oww n GLY 66 N -2.61 0.43 3.37 0.56 0.00 -0.63 -4.91 105.19 101.40 1oww n GLY 66 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.92 2.20 -0.19 1.61 0.11 -1.16 -5.03 120.40 115.02 1oww s VAL 67 Ca 0.00 -1.64 -0.10 0.00 -2.93 0.00 0.00 61.98 57.31 1oww s VAL 67 Cb 0.00 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.87 1oww s VAL 67 CO 0.00 0.17 0.14 0.54 -3.33 0.00 0.00 175.10 172.62 1oww s VAL 68 N -0.99 5.41 0.08 2.04 0.11 -1.26 -2.19 120.40 123.61 1oww s VAL 68 Ca 0.13 0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1oww s VAL 68 Cb -0.10 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1oww s VAL 68 CO 0.05 0.45 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.88 1oww s TYR 69 N 0.24 2.79 -0.13 1.54 2.02 -0.60 -1.54 117.35 121.66 1oww s TYR 69 Ca 0.09 -0.12 -0.11 0.00 -0.37 0.00 0.00 57.07 56.56 1oww s TYR 69 Cb -0.11 -1.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.92 1oww s TYR 69 CO -0.01 0.41 0.22 -1.83 -1.57 0.00 0.00 175.55 172.77 1oww s GLU 70 N -2.01 3.93 0.16 -0.62 -1.05 -0.12 -1.68 118.70 117.32 1oww s GLU 70 Ca 0.21 -0.01 0.10 0.00 -0.15 0.00 0.00 54.97 55.12 1oww s GLU 70 Cb -0.11 -3.32 -0.04 0.00 -0.44 0.00 0.00 34.13 30.22 1oww s GLU 70 CO 0.12 0.49 -0.19 0.20 0.95 0.00 0.00 175.26 176.84 1oww s GLY 71 N -0.26 1.69 -0.09 -3.83 0.00 -0.66 -1.43 107.32 102.73 1oww s GLY 71 Ca 0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 44.72 43.33 1oww s GLY 71 CO 0.04 -1.51 0.22 1.62 0.00 0.00 0.00 173.10 173.47 1oww s GLN 72 N -2.49 0.17 -0.36 2.90 0.74 -0.69 -1.94 119.66 117.99 1oww s GLN 72 Ca 0.20 0.48 0.02 0.00 0.05 0.00 0.00 55.36 56.11 1oww s GLN 72 Cb -0.09 -0.14 0.10 0.00 1.10 0.00 0.00 33.01 33.99 1oww s GLN 72 CO 0.11 -0.16 0.10 -1.17 -0.55 0.00 0.00 175.29 173.61 1oww s LEU 73 N 1.23 4.89 -0.10 3.68 2.96 -0.41 -0.47 118.68 130.46 1oww s LEU 73 Ca -0.09 -2.14 -0.18 0.00 -0.22 0.00 0.00 54.13 51.50 1oww s LEU 73 Cb -0.11 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1oww s LEU 73 CO -0.08 -0.42 0.47 -0.63 -1.32 0.00 0.00 176.35 174.37 1oww s ILE 74 N 0.94 5.15 -0.23 6.68 1.01 -0.47 -1.67 121.20 132.60 1oww s ILE 74 Ca 0.10 0.94 -0.00 0.00 0.00 0.00 0.00 60.65 61.69 1oww s ILE 74 Cb -0.20 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1oww s ILE 74 CO -0.07 0.37 -0.10 -0.94 0.00 0.00 0.00 174.94 174.19 1oww s SER 75 N 0.35 4.04 -0.05 3.58 1.04 -0.06 -0.91 113.70 121.69 1oww s SER 75 Ca 0.26 -0.88 -0.20 0.00 0.48 0.00 0.00 55.95 55.60 1oww s SER 75 Cb -0.15 -1.60 -0.05 0.00 0.10 0.00 0.00 66.02 64.32 1oww s SER 75 CO 0.11 -0.10 0.57 -0.63 0.98 0.00 0.00 173.24 174.17 1oww s ILE 76 N 1.28 5.04 0.11 -1.02 1.09 -0.53 -2.00 121.20 125.17 1oww s ILE 76 Ca 0.00 1.17 0.02 0.00 -1.10 0.00 0.00 60.65 60.74 1oww s ILE 76 Cb -0.16 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.29 1oww s ILE 76 CO -0.07 0.36 0.20 -1.10 -0.10 0.00 0.00 174.94 174.24 1oww s GLN 77 N 0.24 3.26 0.00 2.79 -0.21 -0.59 -0.85 119.66 124.30 1oww s GLN 77 Ca 0.30 -0.61 -0.01 0.00 0.02 0.00 0.00 55.36 55.06 1oww s GLN 77 Cb -0.17 -2.90 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1oww s GLN 77 CO 0.15 0.55 1.97 0.94 -2.12 0.00 0.00 175.29 176.78 1oww n GLN 78 N -0.10 1.01 -0.34 2.91 7.27 -1.16 -2.78 117.38 124.19 1oww n GLN 78 Ca -0.07 -0.13 0.00 0.00 0.07 0.00 0.00 57.00 56.87 1oww n GLN 78 Cb 0.53 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 31.99 1oww n GLN 78 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1oww n TYR 79 N 1.71 0.00 0.00 3.69 9.36 -1.26 -4.99 117.16 125.67 1oww n TYR 79 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1oww n TYR 79 Cb 0.49 0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 1oww n TYR 79 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1oww n GLY 80 N 0.00 2.17 3.86 2.98 0.00 -1.12 -5.03 105.19 108.05 1oww n GLY 80 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1oww n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oww s HIS 81 N -2.48 3.47 -0.02 1.61 5.04 -1.26 -4.90 115.29 116.75 1oww s HIS 81 Ca 0.00 1.30 0.01 0.00 -1.54 0.00 0.00 55.06 54.84 1oww s HIS 81 Cb 0.00 -2.79 0.01 0.00 0.04 0.00 0.00 32.58 29.84 1oww s HIS 81 CO 0.00 -0.88 -0.04 -0.65 -2.34 0.00 0.00 174.74 170.83 1oww s GLN 82 N -5.16 0.45 -0.09 2.88 -0.21 -1.26 -1.54 119.66 114.74 1oww s GLN 82 Ca 0.56 -0.11 0.04 0.00 0.02 0.00 0.00 55.36 55.87 1oww s GLN 82 Cb -0.12 -0.48 -0.00 0.00 1.00 0.00 0.00 33.01 33.41 1oww s GLN 82 CO 0.54 0.03 -0.24 -2.00 -2.12 0.00 0.00 175.29 171.50 1oww s GLU 83 N 0.29 2.84 -0.08 2.91 2.56 -0.85 -5.00 118.70 121.37 1oww s GLU 83 Ca -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 54.97 54.07 1oww s GLU 83 Cb -0.06 -2.21 -0.03 0.00 2.00 0.00 0.00 34.13 33.82 1oww s GLU 83 CO -0.00 0.23 -0.04 0.54 -0.56 0.00 0.00 175.26 175.42 1oww s VAL 84 N 0.22 3.96 -0.07 3.70 0.11 -1.26 -0.88 120.40 126.18 1oww s VAL 84 Ca -0.15 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1oww s VAL 84 Cb -0.17 -2.65 0.01 0.00 -1.53 0.00 0.00 36.38 32.04 1oww s VAL 84 CO 0.07 0.59 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.38 1oww s THR 85 N -0.75 1.50 0.04 5.04 2.01 -0.67 -4.66 115.64 118.14 1oww s THR 85 Ca 0.12 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.46 1oww s THR 85 Cb -0.11 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1oww s THR 85 CO 0.02 0.43 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.65 1oww s ARG 86 N 0.42 0.90 0.38 4.92 3.52 -1.26 -1.29 118.95 126.54 1oww s ARG 86 Ca -0.13 -0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 54.63 1oww s ARG 86 Cb -0.16 -0.90 0.04 0.00 -1.56 0.00 0.00 34.95 32.38 1oww s ARG 86 CO 0.05 0.22 0.70 1.97 -0.81 0.00 0.00 175.30 177.43 1oww n PHE 87 N 1.94 -2.09 -4.03 5.12 -1.74 -0.82 -5.03 117.46 110.81 1oww n PHE 87 Ca -0.18 -2.04 -0.08 0.00 -0.56 0.00 0.00 57.45 54.59 1oww n PHE 87 Cb 0.55 0.81 -0.10 0.00 1.52 0.00 0.00 39.48 42.26 1oww n PHE 87 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 1oww s ASP 88 N -3.12 0.38 0.23 5.98 1.47 -1.26 -1.66 116.67 118.69 1oww s ASP 88 Ca 0.20 -0.83 -0.05 0.00 1.18 0.00 0.00 52.55 53.05 1oww s ASP 88 Cb -0.04 0.20 -0.02 0.00 -0.34 0.00 0.00 42.92 42.72 1oww s ASP 88 CO 0.15 -0.55 0.28 0.72 0.68 0.00 0.00 175.17 176.45 1oww s PHE 89 N -3.35 0.89 -0.04 2.11 -0.12 -0.67 -4.89 117.98 111.90 1oww s PHE 89 Ca 0.02 -1.15 0.06 0.00 -0.05 0.00 0.00 56.93 55.80 1oww s PHE 89 Cb 0.04 -0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 1oww s PHE 89 CO -0.08 -0.80 -0.21 0.95 -0.05 0.00 0.00 175.22 175.03 1oww s THR 90 N -4.03 2.48 -0.31 -4.49 -4.23 -1.26 -1.56 115.64 102.24 1oww s THR 90 Ca 0.33 -0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.83 1oww s THR 90 Cb 0.04 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.97 1oww s THR 90 CO 0.12 0.58 0.10 -0.89 -0.54 0.00 0.00 174.62 173.99 1oww s THR 91 N -0.52 4.01 0.19 3.99 2.01 -0.93 -4.99 115.64 119.39 1oww s THR 91 Ca 0.07 -0.78 -0.23 0.00 0.31 0.00 0.00 61.69 61.05 1oww s THR 91 Cb -0.11 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.33 1oww s THR 91 CO 0.01 -0.00 0.74 0.28 -0.69 0.00 0.00 174.62 174.95 1oww s THR 92 N 1.49 0.00 0.00 -0.82 -1.32 -1.25 -1.61 115.64 112.13 1oww s THR 92 Ca 0.02 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 1oww s THR 92 Cb -0.18 -1.54 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1oww s THR 92 CO 0.03 0.00 0.14 -1.54 -2.21 0.00 0.00 174.62 171.04