#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 3.14 3.75 0.46 0.00 -1.26 -5.02 105.19 106.26 1oww n GLY 2 Ca 0.00 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 1.65 4.13 0.58 1.61 0.02 -1.26 -4.83 135.00 136.90 1oww s PRO 3 Ca 0.00 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.44 1oww s PRO 3 Cb 0.00 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.45 1oww s PRO 3 CO 0.00 -0.60 1.02 0.08 -0.33 0.00 0.00 177.00 177.17 1oww s VAL 4 N -0.16 4.51 -0.46 3.83 1.01 -1.26 -5.02 120.40 122.84 1oww s VAL 4 Ca 0.61 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 1oww s VAL 4 Cb -0.47 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.28 1oww s VAL 4 CO 0.50 -0.90 0.33 -1.61 0.00 0.00 0.00 175.10 173.42 1oww s GLU 5 N -4.66 2.62 -0.08 2.72 2.02 -1.26 -4.98 118.70 115.09 1oww s GLU 5 Ca 0.57 -1.61 0.04 0.00 0.02 0.00 0.00 54.97 53.99 1oww s GLU 5 Cb -0.11 -3.93 -0.01 0.00 0.10 0.00 0.00 34.13 30.17 1oww s GLU 5 CO 0.44 -1.10 -0.20 0.54 0.02 0.00 0.00 175.26 174.95 1oww s VAL 6 N 1.43 2.49 0.40 2.63 0.11 -1.26 -1.79 120.40 124.42 1oww s VAL 6 Ca 0.04 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.26 1oww s VAL 6 Cb -0.25 -1.96 -0.08 0.00 -1.53 0.00 0.00 36.38 32.56 1oww s VAL 6 CO 0.01 0.56 0.02 0.12 -3.33 0.00 0.00 175.10 172.48 1oww s PHE 7 N -0.13 2.42 0.16 1.54 5.36 -0.44 -5.00 117.98 121.90 1oww s PHE 7 Ca -0.03 -0.72 0.11 0.00 -0.96 0.00 0.00 56.93 55.32 1oww s PHE 7 Cb -0.14 -1.71 -0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1oww s PHE 7 CO 0.04 0.38 -0.22 0.42 -1.46 0.00 0.00 175.22 174.38 1oww s ILE 8 N -2.79 2.50 0.73 3.12 -1.09 -1.26 -2.85 121.20 119.55 1oww s ILE 8 Ca 0.34 -1.85 -0.12 0.00 -2.23 0.00 0.00 60.65 56.79 1oww s ILE 8 Cb 0.10 -2.17 0.17 0.00 -1.58 0.00 0.00 42.46 38.98 1oww s ILE 8 CO 0.17 -0.03 0.80 0.35 -1.23 0.00 0.00 174.94 175.00 1oww n THR 9 N 0.48 0.00 -1.08 2.92 -2.24 -1.25 -4.91 114.28 108.20 1oww n THR 9 Ca -0.14 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.11 1oww n THR 9 Cb 0.55 -1.41 0.29 0.00 -2.10 0.00 0.00 70.33 67.65 1oww n THR 9 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1oww n GLU 10 N -3.28 3.47 -2.83 -0.78 0.28 -1.26 -4.93 120.64 111.31 1oww n GLU 10 Ca 0.10 -3.08 -0.42 0.00 -0.16 0.00 0.00 57.16 53.61 1oww n GLU 10 Cb 0.38 -2.15 -0.04 0.00 1.43 0.00 0.00 31.44 31.07 1oww n GLU 10 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1oww s THR 11 N -3.01 4.81 0.09 3.84 -4.23 -1.26 -4.95 115.64 110.92 1oww s THR 11 Ca 0.53 1.70 -0.08 0.00 -1.18 0.00 0.00 61.69 62.66 1oww s THR 11 Cb 0.43 -4.17 -0.26 0.00 1.34 0.00 0.00 72.50 69.84 1oww s THR 11 CO 0.12 -0.07 1.18 1.55 -0.54 0.00 0.00 174.62 176.85 1oww h PRO 12 N 7.54 0.44 -2.59 3.99 0.13 -2.02 -3.41 132.00 136.07 1oww h PRO 12 Ca -0.24 -0.59 -0.33 0.00 -0.87 0.00 0.00 66.00 63.97 1oww h PRO 12 Cb 1.09 0.20 -0.36 0.00 0.13 0.00 0.00 31.00 32.06 1oww h PRO 12 CO 0.89 1.24 -0.64 -1.12 -0.23 0.00 0.00 178.00 178.14 1oww s SER 13 N -7.24 1.45 0.16 1.44 0.01 -1.26 -4.97 113.70 103.29 1oww s SER 13 Ca -0.06 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1oww s SER 13 Cb 0.07 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 1oww s SER 13 CO 0.90 -0.33 0.33 0.00 0.41 0.00 0.00 173.24 174.55 1oww s GLN 14 N 2.31 3.49 0.00 12.44 0.00 -1.26 -4.99 119.66 131.65 1oww s GLN 14 Ca 0.06 -0.44 0.00 0.00 -0.00 0.00 0.00 55.36 54.99 1oww s GLN 14 Cb -0.16 -2.91 0.00 0.00 0.00 0.00 0.00 33.01 29.94 1oww s GLN 14 CO -0.12 0.48 0.00 -0.35 0.00 0.00 0.00 175.29 175.30 1oww n PRO 15 N -0.44 0.00 0.00 9.60 -0.04 -1.26 -3.99 135.00 138.86 1oww n PRO 15 Ca -0.05 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1oww n PRO 15 Cb 0.53 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 1oww n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1oww n ASN 16 N -1.22 0.13 -4.91 3.54 3.02 -1.26 -4.07 115.26 110.48 1oww n ASN 16 Ca 0.00 -0.49 -0.28 0.00 -0.03 0.00 0.00 54.58 53.78 1oww n ASN 16 Cb 0.00 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 1oww n ASN 16 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1oww s SER 17 N -0.20 6.44 -0.37 6.41 0.01 -1.26 -1.62 113.70 123.11 1oww s SER 17 Ca 0.00 0.69 0.03 0.00 1.31 0.00 0.00 55.95 57.98 1oww s SER 17 Cb 0.00 -2.13 0.15 0.00 0.21 0.00 0.00 66.02 64.25 1oww s SER 17 CO 0.00 -0.18 0.36 -2.28 0.41 0.00 0.00 173.24 171.54 1oww s HIS 18 N -2.07 -0.21 0.22 2.43 2.46 -0.38 -4.81 115.29 112.94 1oww s HIS 18 Ca 0.44 -0.87 -0.30 0.00 0.47 0.00 0.00 55.06 54.80 1oww s HIS 18 Cb -0.11 -0.45 -0.09 0.00 -0.13 0.00 0.00 32.58 31.80 1oww s HIS 18 CO 0.30 -0.96 0.93 -1.25 -2.47 0.00 0.00 174.74 171.29 1oww s PRO 19 N 1.43 4.82 0.45 2.88 0.04 -1.26 -2.23 135.00 141.12 1oww s PRO 19 Ca 0.17 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.69 1oww s PRO 19 Cb -0.16 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1oww s PRO 19 CO -0.04 0.50 0.03 0.96 0.04 0.00 0.00 177.00 178.48 1oww s ILE 20 N -1.06 1.29 0.05 0.56 -4.36 -0.97 -3.83 121.20 112.88 1oww s ILE 20 Ca 0.41 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.65 1oww s ILE 20 Cb -0.25 -2.48 0.03 0.00 1.25 0.00 0.00 42.46 41.00 1oww s ILE 20 CO 0.31 0.00 0.35 0.00 0.24 0.00 0.00 174.94 175.84 1oww s GLN 21 N -3.81 0.87 0.10 0.37 -2.07 -1.13 -1.35 119.66 112.64 1oww s GLN 21 Ca 0.20 -0.47 -0.03 0.00 -1.82 0.00 0.00 55.36 53.23 1oww s GLN 21 Cb 0.05 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 1oww s GLN 21 CO 0.10 -0.29 0.08 1.67 -1.32 0.00 0.00 175.29 175.53 1oww s TRP 22 N -2.62 0.55 0.16 9.60 -2.14 -0.74 -1.33 118.94 122.42 1oww s TRP 22 Ca -0.04 -0.99 0.02 0.00 2.66 0.00 0.00 56.10 57.74 1oww s TRP 22 Cb -0.01 -0.31 0.03 0.00 -3.10 0.00 0.00 33.47 30.08 1oww s TRP 22 CO -0.04 -0.50 0.22 -1.71 -2.66 0.00 0.00 176.95 172.26 1oww n ASN 23 N -0.03 0.52 -3.83 -2.66 5.15 -0.74 -4.83 115.26 108.83 1oww n ASN 23 Ca -0.10 -1.38 -0.08 0.00 -0.60 0.00 0.00 54.58 52.41 1oww n ASN 23 Cb 0.62 -0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.73 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 -2.28 -1.04 0.72 5.20 0.00 -1.26 -4.67 121.76 118.43 1oww s ALA 24 Ca 0.16 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1oww s ALA 24 Cb -0.01 0.89 0.04 0.00 0.00 0.00 0.00 23.12 24.04 1oww s ALA 24 CO 0.10 -0.95 1.19 -2.14 0.00 0.00 0.00 175.76 173.96 1oww s PRO 25 N -3.92 2.21 0.04 0.00 0.02 -1.26 -5.00 135.00 127.10 1oww s PRO 25 Ca 0.12 1.71 -0.04 0.00 0.02 0.00 0.00 61.00 62.80 1oww s PRO 25 Cb -0.04 -1.85 -0.28 0.00 0.02 0.00 0.00 34.50 32.35 1oww s PRO 25 CO 0.04 -1.77 1.02 1.96 -0.33 0.00 0.00 177.00 177.92 1oww h GLN 26 N -0.28 0.28 0.00 5.54 1.08 -2.02 -3.32 115.11 116.39 1oww h GLN 26 Ca -0.47 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.25 1oww h GLN 26 Cb 1.29 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1oww h GLN 26 CO 0.50 1.19 0.00 -2.30 -0.95 0.00 0.00 178.83 177.27 1oww n PRO 27 N -3.51 0.31 -2.53 1.46 -0.02 -1.26 -4.86 135.00 124.59 1oww n PRO 27 Ca -0.12 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.37 1oww n PRO 27 Cb 1.04 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 33.06 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 -1.21 -4.59 0.01 2.55 2.88 -1.25 -4.96 113.62 107.05 1oww n SER 28 Ca 0.09 -0.41 0.11 0.00 -1.33 0.00 0.00 58.87 57.33 1oww n SER 28 Cb 0.11 -3.24 0.07 0.00 -0.75 0.00 0.00 64.21 60.40 1oww n SER 28 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1oww n HIS 29 N -2.52 0.07 -4.68 0.66 -0.00 -1.26 -4.86 115.22 102.63 1oww n HIS 29 Ca -0.05 0.02 -0.33 0.00 -0.00 0.00 0.00 57.72 57.36 1oww n HIS 29 Cb 0.57 -0.22 -0.12 0.00 -0.00 0.00 0.00 29.99 30.22 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 -3.06 3.50 0.00 3.57 1.09 -1.26 -3.50 121.20 121.54 1oww s ILE 30 Ca 0.08 -0.54 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 1oww s ILE 30 Cb 0.16 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 39.12 1oww s ILE 30 CO 0.78 0.57 0.00 -1.20 -0.10 0.00 0.00 174.94 175.00 1oww n SER 31 N 2.58 0.00 -4.94 3.58 7.64 0.20 -4.90 113.62 117.77 1oww n SER 31 Ca -0.18 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.46 1oww n SER 31 Cb 0.53 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.77 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1oww s LYS 32 N 0.00 2.49 -0.03 1.43 1.02 -1.12 -4.02 119.74 119.51 1oww s LYS 32 Ca 0.00 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1oww s LYS 32 Cb 0.00 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1oww s LYS 32 CO 0.00 -0.91 -0.11 0.71 -0.92 0.00 0.00 175.35 174.12 1oww s TYR 33 N -3.00 1.20 -0.11 3.18 2.02 -0.99 -1.78 117.35 117.87 1oww s TYR 33 Ca 0.57 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.98 1oww s TYR 33 Cb -0.11 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 1oww s TYR 33 CO 0.42 -0.14 -0.22 0.42 -1.57 0.00 0.00 175.55 174.46 1oww s ILE 34 N 0.21 2.17 -0.01 2.71 1.01 0.10 -1.01 121.20 126.38 1oww s ILE 34 Ca -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1oww s ILE 34 Cb -0.10 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1oww s ILE 34 CO 0.01 0.55 -0.05 -0.76 0.00 0.00 0.00 174.94 174.70 1oww s LEU 35 N 0.47 3.26 0.18 2.97 1.43 -0.76 -1.12 118.68 125.10 1oww s LEU 35 Ca -0.15 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1oww s LEU 35 Cb -0.17 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1oww s LEU 35 CO 0.06 0.29 -0.16 -0.13 0.23 0.00 0.00 176.35 176.64 1oww s ARG 36 N -1.37 1.29 -0.12 1.70 3.00 0.40 -0.95 118.95 122.89 1oww s ARG 36 Ca 0.17 -1.48 -0.11 0.00 0.00 0.00 0.00 55.73 54.31 1oww s ARG 36 Cb -0.11 -1.22 0.03 0.00 0.00 0.00 0.00 34.95 33.65 1oww s ARG 36 CO 0.07 0.23 0.33 1.67 0.00 0.00 0.00 175.30 177.60 1oww s TRP 37 N -2.43 -0.37 -0.02 -0.53 -2.14 -0.84 -1.95 118.94 110.66 1oww s TRP 37 Ca 0.18 0.90 0.02 0.00 2.66 0.00 0.00 56.10 59.86 1oww s TRP 37 Cb -0.04 0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.46 1oww s TRP 37 CO 0.07 -0.18 -0.08 0.50 -2.66 0.00 0.00 176.95 174.59 1oww s ARG 38 N 0.29 0.81 -0.24 3.25 3.52 -0.09 -2.20 118.95 124.28 1oww s ARG 38 Ca -0.01 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1oww s ARG 38 Cb -0.03 -0.77 -0.02 0.00 -1.56 0.00 0.00 34.95 32.57 1oww s ARG 38 CO -0.01 0.11 1.55 -1.25 -0.81 0.00 0.00 175.30 174.89 1oww s PRO 39 N 0.15 3.80 -0.89 5.12 0.04 -1.26 -0.56 135.00 141.41 1oww s PRO 39 Ca -0.02 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 1oww s PRO 39 Cb -0.07 -4.01 -0.13 0.00 0.04 0.00 0.00 34.50 30.33 1oww s PRO 39 CO 0.00 -1.28 1.93 1.17 0.04 0.00 0.00 177.00 178.87 1oww n LYS 40 N 7.62 1.60 0.20 4.56 4.81 -0.58 -2.91 118.16 133.46 1oww n LYS 40 Ca 0.18 -2.03 0.00 0.00 -0.87 0.00 0.00 58.31 55.59 1oww n LYS 40 Cb 0.46 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.40 1oww n LYS 40 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1oww n ASN 41 N 8.85 -2.90 -4.94 3.14 3.02 -1.26 -4.85 115.26 116.32 1oww n ASN 41 Ca 0.49 0.75 -0.24 0.00 -0.03 0.00 0.00 54.58 55.54 1oww n ASN 41 Cb 0.42 2.78 -0.01 0.00 -0.61 0.00 0.00 39.78 42.36 1oww n ASN 41 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1oww s SER 42 N -2.80 6.27 -0.34 6.41 1.04 -1.14 -5.03 113.70 118.11 1oww s SER 42 Ca 0.00 0.51 0.11 0.00 0.48 0.00 0.00 55.95 57.04 1oww s SER 42 Cb 0.00 -2.04 0.45 0.00 0.10 0.00 0.00 66.02 64.54 1oww s SER 42 CO 0.00 -0.35 1.11 1.33 0.98 0.00 0.00 173.24 176.31 1oww n VAL 43 N -1.86 2.03 0.00 5.02 0.24 -1.26 -4.78 118.33 117.73 1oww n VAL 43 Ca -0.04 -4.07 0.00 0.00 -2.04 0.00 0.00 64.34 58.19 1oww n VAL 43 Cb 0.56 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 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 -0.52 0.51 3.92 7.63 0.00 -1.26 -5.10 105.19 110.38 1oww n GLY 44 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 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 3.74 2.41 0.29 1.61 0.52 -1.26 -5.10 118.95 121.16 1oww s ARG 45 Ca 0.00 -0.08 -0.10 0.00 -0.52 0.00 0.00 55.73 55.02 1oww s ARG 45 Cb 0.00 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.32 1oww s ARG 45 CO 0.00 -1.13 0.52 1.67 0.02 0.00 0.00 175.30 176.38 1oww s TRP 46 N -3.23 0.52 0.21 -0.53 1.48 -1.26 -4.87 118.94 111.26 1oww s TRP 46 Ca 0.59 -0.88 0.09 0.00 -1.06 0.00 0.00 56.10 54.83 1oww s TRP 46 Cb -0.11 0.20 -0.04 0.00 -1.16 0.00 0.00 33.47 32.36 1oww s TRP 46 CO 0.46 -1.10 -0.02 0.15 -4.06 0.00 0.00 176.95 172.37 1oww s LYS 47 N -3.56 2.27 0.13 3.25 1.02 -0.93 -5.03 119.74 116.88 1oww s LYS 47 Ca 0.24 -1.28 -0.14 0.00 0.02 0.00 0.00 55.97 54.81 1oww s LYS 47 Cb -0.01 -2.23 0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1oww s LYS 47 CO 0.12 0.41 0.37 -1.83 -0.92 0.00 0.00 175.35 173.50 1oww s GLU 48 N -3.22 1.06 0.10 1.68 -1.05 -1.26 -1.98 118.70 114.02 1oww s GLU 48 Ca 0.28 -0.79 -0.01 0.00 -0.15 0.00 0.00 54.97 54.30 1oww s GLU 48 Cb -0.08 0.45 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1oww s GLU 48 CO 0.18 -0.40 0.02 0.00 0.95 0.00 0.00 175.26 176.01 1oww s ALA 49 N -3.83 0.69 -0.12 -0.84 0.00 -0.13 -5.00 121.76 112.53 1oww s ALA 49 Ca 0.05 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.69 1oww s ALA 49 Cb 0.02 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.76 1oww s ALA 49 CO -0.10 -0.44 -0.21 0.99 0.00 0.00 0.00 175.76 176.00 1oww s THR 50 N -3.99 1.92 -0.10 0.00 2.01 -1.26 -1.83 115.64 112.39 1oww s THR 50 Ca 0.17 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1oww s THR 50 Cb 0.08 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1oww s THR 50 CO -0.03 0.52 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.64 1oww s ILE 51 N 0.75 2.93 1.01 1.82 1.09 -0.18 -5.01 121.20 123.61 1oww s ILE 51 Ca -0.10 -0.73 -0.12 0.00 -1.10 0.00 0.00 60.65 58.61 1oww s ILE 51 Cb -0.16 -2.19 0.20 0.00 -1.06 0.00 0.00 42.46 39.25 1oww s ILE 51 CO 0.00 0.55 1.08 -2.84 -0.10 0.00 0.00 174.94 173.64 1oww s PRO 52 N -0.05 0.31 0.33 2.79 0.02 -1.26 -2.33 135.00 134.80 1oww s PRO 52 Ca -0.03 1.00 0.26 0.00 0.02 0.00 0.00 61.00 62.24 1oww s PRO 52 Cb -0.14 -1.69 0.74 0.00 0.02 0.00 0.00 34.50 33.43 1oww s PRO 52 CO 0.04 -2.94 1.74 0.78 -0.33 0.00 0.00 177.00 176.29 1oww h GLY 53 N -2.07 0.00 1.60 0.52 0.00 -1.92 -3.10 103.07 98.11 1oww h GLY 53 Ca -0.53 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1oww h GLY 53 CO 0.50 0.00 -0.84 1.12 0.00 0.00 0.00 176.54 177.32 1oww h HIS 54 N 0.00 0.00 -3.36 5.60 2.07 -1.92 -3.45 115.15 114.10 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 0.50 0.03 -0.51 -3.07 0.00 0.00 177.93 174.88 1oww s LEU 55 N -6.17 4.29 0.00 6.12 1.43 -1.17 -4.94 118.68 118.23 1oww s LEU 55 Ca 0.01 1.05 0.17 0.00 -1.03 0.00 0.00 54.13 54.34 1oww s LEU 55 Cb 0.08 -2.96 0.11 0.00 0.03 0.00 0.00 46.19 43.45 1oww s LEU 55 CO 0.77 -0.10 1.02 -0.46 0.23 0.00 0.00 176.35 177.81 1oww n ASN 56 N 3.87 2.29 -4.09 2.29 0.23 -1.26 -4.79 115.26 113.80 1oww n ASN 56 Ca -0.03 -1.64 -0.08 0.00 -0.53 0.00 0.00 54.58 52.30 1oww n ASN 56 Cb 0.51 0.11 -0.10 0.00 -2.08 0.00 0.00 39.78 38.22 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 -1.59 0.56 0.38 0.53 1.04 -1.26 -1.79 113.70 111.57 1oww s SER 57 Ca 0.19 -0.97 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1oww s SER 57 Cb 0.14 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1oww s SER 57 CO 0.27 -0.56 0.09 -0.47 0.98 0.00 0.00 173.24 173.55 1oww s TYR 58 N -3.71 1.86 -0.16 5.02 5.04 -0.46 -4.97 117.35 119.97 1oww s TYR 58 Ca 0.06 -1.13 -0.05 0.00 -2.44 0.00 0.00 57.07 53.52 1oww s TYR 58 Cb 0.06 -1.23 0.06 0.00 0.35 0.00 0.00 41.96 41.20 1oww s TYR 58 CO -0.09 -0.14 0.09 0.99 -1.34 0.00 0.00 175.55 175.06 1oww s THR 59 N -3.24 -0.10 0.27 4.34 2.01 -1.26 -2.28 115.64 115.38 1oww s THR 59 Ca 0.28 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.03 1oww s THR 59 Cb 0.05 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.94 1oww s THR 59 CO 0.14 -0.24 0.67 -0.63 -0.69 0.00 0.00 174.62 173.87 1oww s ILE 60 N 2.15 4.75 0.10 1.82 1.01 -0.95 -4.93 121.20 125.14 1oww s ILE 60 Ca 0.02 0.86 -0.12 0.00 0.00 0.00 0.00 60.65 61.41 1oww s ILE 60 Cb -0.16 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1oww s ILE 60 CO -0.09 -0.06 0.29 -1.59 0.00 0.00 0.00 174.94 173.49 1oww s LYS 61 N -2.70 0.93 -0.06 2.79 -2.85 -1.26 -1.25 119.74 115.34 1oww s LYS 61 Ca 0.49 -0.81 -0.00 0.00 -1.00 0.00 0.00 55.97 54.65 1oww s LYS 61 Cb -0.12 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1oww s LYS 61 CO 0.19 -0.33 0.05 0.41 0.10 0.00 0.00 175.35 175.77 1oww n GLY 62 N -0.07 0.60 0.00 0.59 0.00 -1.14 -4.97 105.19 100.20 1oww n GLY 62 Ca -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1oww n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oww n LEU 63 N -1.37 0.00 -4.39 0.99 4.77 -0.64 -5.06 117.00 111.30 1oww n LEU 63 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1oww n LEU 63 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1oww n LEU 63 CO 0.03 -0.01 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.11 1oww s LYS 64 N 1.01 1.44 0.55 3.23 3.01 -1.26 -4.78 119.74 122.94 1oww s LYS 64 Ca 0.00 -1.66 -0.15 0.00 -1.01 0.00 0.00 55.97 53.15 1oww s LYS 64 Cb 0.00 -1.25 -0.06 0.00 -1.01 0.00 0.00 37.83 35.51 1oww s LYS 64 CO 0.00 0.18 1.00 -1.25 0.51 0.00 0.00 175.35 175.80 1oww s PRO 65 N -3.64 3.79 -1.41 -1.68 0.04 -1.26 -4.44 135.00 126.40 1oww s PRO 65 Ca 0.25 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.16 1oww s PRO 65 Cb -0.01 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1oww s PRO 65 CO 0.09 -0.41 0.34 0.41 0.04 0.00 0.00 177.00 177.48 1oww n GLY 66 N -1.90 -0.50 3.50 0.56 0.00 -0.70 -4.94 105.19 101.21 1oww n GLY 66 Ca 0.07 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.97 3.00 -0.15 1.61 0.11 -1.13 -4.98 120.40 115.90 1oww s VAL 67 Ca 0.21 -1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 57.94 1oww s VAL 67 Cb -0.10 -2.33 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 1oww s VAL 67 CO 0.26 0.23 0.09 0.54 -3.33 0.00 0.00 175.10 172.89 1oww s VAL 68 N -1.05 5.03 0.13 2.04 0.11 -1.26 -1.56 120.40 123.84 1oww s VAL 68 Ca 0.17 0.04 0.09 0.00 -2.93 0.00 0.00 61.98 59.36 1oww s VAL 68 Cb -0.11 -3.23 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 1oww s VAL 68 CO 0.08 0.52 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.87 1oww s TYR 69 N -0.19 2.50 -0.17 1.54 2.02 -0.47 -1.53 117.35 121.04 1oww s TYR 69 Ca 0.09 -0.28 -0.14 0.00 -0.37 0.00 0.00 57.07 56.36 1oww s TYR 69 Cb -0.12 -1.32 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 1oww s TYR 69 CO 0.01 0.39 0.31 -2.00 -1.57 0.00 0.00 175.55 172.69 1oww s GLU 70 N -2.20 4.24 -0.00 -0.62 2.56 0.28 -1.83 118.70 121.11 1oww s GLU 70 Ca 0.18 0.10 0.06 0.00 0.00 0.00 0.00 54.97 55.31 1oww s GLU 70 Cb -0.10 -3.45 -0.02 0.00 2.00 0.00 0.00 34.13 32.56 1oww s GLU 70 CO 0.10 0.17 -0.18 0.20 -0.56 0.00 0.00 175.26 174.99 1oww s GLY 71 N 0.62 0.92 -0.04 -1.50 0.00 -0.79 -0.92 107.32 105.61 1oww s GLY 71 Ca 0.17 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 44.08 1oww s GLY 71 CO 0.05 -0.70 -0.05 1.62 0.00 0.00 0.00 173.10 174.01 1oww s GLN 72 N -0.55 0.85 -0.34 2.90 0.74 -0.82 -1.89 119.66 120.54 1oww s GLN 72 Ca 0.07 -0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.35 1oww s GLN 72 Cb -0.07 -0.83 0.09 0.00 1.10 0.00 0.00 33.01 33.30 1oww s GLN 72 CO -0.00 -0.05 0.06 -1.17 -0.55 0.00 0.00 175.29 173.58 1oww s LEU 73 N 0.78 4.57 -0.14 3.68 2.96 -0.43 -0.46 118.68 129.64 1oww s LEU 73 Ca -0.11 -1.88 -0.16 0.00 -0.22 0.00 0.00 54.13 51.76 1oww s LEU 73 Cb -0.14 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1oww s LEU 73 CO 0.00 -0.38 0.39 -0.63 -1.32 0.00 0.00 176.35 174.41 1oww s ILE 74 N 1.05 5.24 -0.27 6.68 1.01 -0.28 -1.41 121.20 133.21 1oww s ILE 74 Ca 0.05 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.42 1oww s ILE 74 Cb -0.20 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1oww s ILE 74 CO -0.06 0.36 -0.00 -0.94 0.00 0.00 0.00 174.94 174.31 1oww s SER 75 N 0.50 4.69 0.10 3.58 1.04 -0.15 -0.72 113.70 122.74 1oww s SER 75 Ca 0.21 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 1oww s SER 75 Cb -0.14 -1.75 -0.07 0.00 0.10 0.00 0.00 66.02 64.17 1oww s SER 75 CO 0.07 -0.17 0.55 -0.63 0.98 0.00 0.00 173.24 174.03 1oww s ILE 76 N 1.37 4.81 0.12 -1.02 -1.09 -0.73 -1.74 121.20 122.92 1oww s ILE 76 Ca 0.00 1.03 0.04 0.00 -2.23 0.00 0.00 60.65 59.48 1oww s ILE 76 Cb -0.17 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1oww s ILE 76 CO -0.02 0.43 0.13 -1.10 -1.23 0.00 0.00 174.94 173.16 1oww s GLN 77 N -1.45 2.99 0.00 2.79 -0.21 -0.48 -0.63 119.66 122.66 1oww s GLN 77 Ca 0.32 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1oww s GLN 77 Cb -0.17 -2.74 0.00 0.00 1.00 0.00 0.00 33.01 31.09 1oww s GLN 77 CO 0.18 0.53 1.32 0.94 -2.12 0.00 0.00 175.29 176.15 1oww n GLN 78 N 0.03 0.87 -0.09 2.91 7.27 -1.23 -3.01 117.38 124.14 1oww n GLN 78 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1oww n GLN 78 Cb 0.53 -1.06 0.00 0.00 2.41 0.00 0.00 30.24 32.12 1oww n GLN 78 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1oww n TYR 79 N 1.07 0.00 0.00 3.69 4.01 -1.26 -4.99 117.16 119.69 1oww n TYR 79 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1oww n TYR 79 Cb 0.44 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 0.00 3.19 3.92 2.72 0.00 -1.17 -5.02 105.19 108.84 1oww n GLY 80 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.86 2.28 -0.17 1.61 3.76 -1.26 -4.89 115.29 114.76 1oww s HIS 81 Ca 0.00 0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 55.11 1oww s HIS 81 Cb 0.00 -3.73 0.09 0.00 1.11 0.00 0.00 32.58 30.05 1oww s HIS 81 CO 0.00 -2.13 0.79 1.14 -0.85 0.00 0.00 174.74 173.69 1oww s GLN 82 N -5.67 0.84 0.06 1.40 -2.07 -1.26 -1.39 119.66 111.57 1oww s GLN 82 Ca 0.67 0.55 0.05 0.00 -1.82 0.00 0.00 55.36 54.81 1oww s GLN 82 Cb -0.08 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.21 1oww s GLN 82 CO 0.50 -0.19 -0.04 -1.21 -1.32 0.00 0.00 175.29 173.03 1oww s GLU 83 N -0.43 2.47 0.02 9.60 0.41 -0.71 -4.97 118.70 125.09 1oww s GLU 83 Ca -0.04 -0.83 0.08 0.00 -0.41 0.00 0.00 54.97 53.77 1oww s GLU 83 Cb -0.02 -2.49 -0.03 0.00 -1.78 0.00 0.00 34.13 29.81 1oww s GLU 83 CO 0.03 0.56 -0.24 0.54 -0.49 0.00 0.00 175.26 175.67 1oww s VAL 84 N -1.18 2.33 -0.04 2.63 0.11 -1.26 -0.98 120.40 122.00 1oww s VAL 84 Ca 0.22 -1.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 1oww s VAL 84 Cb -0.11 -1.90 0.01 0.00 -1.53 0.00 0.00 36.38 32.85 1oww s VAL 84 CO 0.14 0.44 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.36 1oww s THR 85 N -0.77 0.82 0.08 5.04 2.01 -0.50 -4.31 115.64 118.01 1oww s THR 85 Ca 0.12 -0.33 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1oww s THR 85 Cb -0.10 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1oww s THR 85 CO 0.02 0.28 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.89 1oww s ARG 86 N 0.57 1.17 0.31 4.92 0.52 -1.26 -1.32 118.95 123.87 1oww s ARG 86 Ca -0.10 -1.08 -0.18 0.00 -0.52 0.00 0.00 55.73 53.86 1oww s ARG 86 Cb -0.13 -1.37 0.07 0.00 0.52 0.00 0.00 34.95 34.04 1oww s ARG 86 CO 0.02 0.33 0.90 -0.59 0.02 0.00 0.00 175.30 175.97 1oww s PHE 87 N -1.06 0.13 0.07 -0.53 -0.12 -0.79 -5.02 117.98 110.66 1oww s PHE 87 Ca 0.06 -0.71 0.01 0.00 -0.05 0.00 0.00 56.93 56.24 1oww s PHE 87 Cb -0.10 0.80 -0.03 0.00 -0.63 0.00 0.00 43.02 43.06 1oww s PHE 87 CO 0.03 -1.34 -0.06 0.16 -0.05 0.00 0.00 175.22 173.96 1oww s ASP 88 N -3.24 0.87 0.22 1.98 1.47 -1.26 -1.89 116.67 114.82 1oww s ASP 88 Ca 0.19 -0.83 -0.03 0.00 1.18 0.00 0.00 52.55 53.05 1oww s ASP 88 Cb -0.04 0.10 -0.03 0.00 -0.34 0.00 0.00 42.92 42.61 1oww s ASP 88 CO 0.09 -0.40 0.23 0.72 0.68 0.00 0.00 175.17 176.49 1oww s PHE 89 N -2.86 1.00 -0.02 2.11 -0.71 -0.76 -4.90 117.98 111.84 1oww s PHE 89 Ca 0.02 -1.24 0.08 0.00 -1.04 0.00 0.00 56.93 54.75 1oww s PHE 89 Cb 0.00 -0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 1oww s PHE 89 CO -0.04 -0.75 -0.25 0.95 -1.34 0.00 0.00 175.22 173.80 1oww s THR 90 N -4.06 1.96 -0.75 -4.49 -4.23 -1.26 -1.37 115.64 101.44 1oww s THR 90 Ca 0.35 -1.06 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 1oww s THR 90 Cb 0.05 -1.63 0.19 0.00 1.34 0.00 0.00 72.50 72.45 1oww s THR 90 CO 0.12 0.55 0.61 -0.89 -0.54 0.00 0.00 174.62 174.48 1oww s THR 91 N -0.55 4.41 0.68 3.99 2.01 -0.60 -4.98 115.64 120.59 1oww s THR 91 Ca 0.09 -3.02 -0.03 0.00 0.31 0.00 0.00 61.69 59.04 1oww s THR 91 Cb -0.10 -3.79 0.14 0.00 0.01 0.00 0.00 72.50 68.76 1oww s THR 91 CO -0.01 -0.97 0.93 0.35 -0.69 0.00 0.00 174.62 174.23 1oww n THR 92 N 3.37 0.00 -1.99 -0.82 -2.24 -1.26 -1.72 114.28 109.61 1oww n THR 92 Ca 0.12 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1oww n THR 92 Cb 0.40 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1oww n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26