#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 2.48 3.75 0.46 0.00 -1.26 -5.04 105.19 105.58 1oww n GLY 2 Ca 0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.20 4.13 0.52 1.61 0.02 -1.26 -4.97 135.00 132.86 1oww s PRO 3 Ca 0.08 2.55 -0.17 0.00 0.02 0.00 0.00 61.00 63.49 1oww s PRO 3 Cb -0.01 -3.02 -0.07 0.00 0.02 0.00 0.00 34.50 31.42 1oww s PRO 3 CO 0.06 -0.60 1.00 0.08 -0.33 0.00 0.00 177.00 177.21 1oww s VAL 4 N -0.16 4.34 -0.84 3.83 1.01 -1.26 -4.99 120.40 122.33 1oww s VAL 4 Ca 0.61 1.15 -0.16 0.00 0.00 0.00 0.00 61.98 63.59 1oww s VAL 4 Cb -0.47 -3.63 0.19 0.00 0.00 0.00 0.00 36.38 32.47 1oww s VAL 4 CO 0.49 -0.61 0.87 -1.61 0.00 0.00 0.00 175.10 174.24 1oww s GLU 5 N -3.98 3.56 -0.10 2.72 2.02 -0.85 -4.94 118.70 117.13 1oww s GLU 5 Ca 0.60 -2.19 0.01 0.00 0.02 0.00 0.00 54.97 53.42 1oww s GLU 5 Cb -0.11 -4.56 -0.02 0.00 0.10 0.00 0.00 34.13 29.53 1oww s GLU 5 CO 0.31 -1.45 -0.14 0.54 0.02 0.00 0.00 175.26 174.54 1oww s VAL 6 N 1.05 3.02 0.31 2.63 0.11 -1.26 -1.10 120.40 125.15 1oww s VAL 6 Ca 0.22 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 1oww s VAL 6 Cb -0.10 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1oww s VAL 6 CO -0.08 0.55 0.13 -0.36 -3.33 0.00 0.00 175.10 172.01 1oww s PHE 7 N -0.08 1.64 -0.07 1.54 0.08 -0.84 -5.01 117.98 115.24 1oww s PHE 7 Ca -0.02 -1.28 -0.07 0.00 0.12 0.00 0.00 56.93 55.68 1oww s PHE 7 Cb -0.14 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1oww s PHE 7 CO 0.04 -0.40 0.19 0.42 -0.10 0.00 0.00 175.22 175.37 1oww s ILE 8 N -3.57 5.42 -0.09 0.64 1.01 -1.26 -3.44 121.20 119.90 1oww s ILE 8 Ca 0.35 0.21 0.02 0.00 0.00 0.00 0.00 60.65 61.22 1oww s ILE 8 Cb 0.06 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1oww s ILE 8 CO 0.16 0.53 -0.14 0.42 0.00 0.00 0.00 174.94 175.91 1oww s THR 9 N -1.13 3.05 -0.49 2.92 -4.23 -1.20 -4.93 115.64 109.65 1oww s THR 9 Ca 0.20 -0.69 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 1oww s THR 9 Cb -0.13 -2.24 0.41 0.00 1.34 0.00 0.00 72.50 71.89 1oww s THR 9 CO 0.09 0.56 1.20 -0.62 -0.54 0.00 0.00 174.62 175.31 1oww n GLU 10 N 2.92 3.36 -2.92 3.99 1.02 -1.26 -4.60 120.64 123.15 1oww n GLU 10 Ca -0.18 -4.42 -0.32 0.00 -0.02 0.00 0.00 57.16 52.22 1oww n GLU 10 Cb 0.52 -2.25 -0.06 0.00 -0.02 0.00 0.00 31.44 29.63 1oww n GLU 10 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1oww s THR 11 N -5.46 4.55 -0.09 2.62 -1.32 -1.26 -4.97 115.64 109.71 1oww s THR 11 Ca 0.48 1.18 -0.29 0.00 -1.21 0.00 0.00 61.69 61.85 1oww s THR 11 Cb 0.40 -3.62 -0.06 0.00 -1.51 0.00 0.00 72.50 67.71 1oww s THR 11 CO -0.21 -0.31 1.81 -2.84 -2.21 0.00 0.00 174.62 170.86 1oww s PRO 12 N -3.22 3.94 0.01 7.08 0.02 -1.26 -4.90 135.00 136.67 1oww s PRO 12 Ca 0.58 2.17 -0.00 0.00 0.02 0.00 0.00 61.00 63.76 1oww s PRO 12 Cb -0.10 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.33 1oww s PRO 12 CO 0.18 -1.14 0.01 0.45 -0.33 0.00 0.00 177.00 176.16 1oww n SER 13 N 8.14 -0.02 -4.89 2.53 2.88 -1.26 -5.16 113.62 115.84 1oww n SER 13 Ca 0.20 -1.02 -0.29 0.00 -1.33 0.00 0.00 58.87 56.42 1oww n SER 13 Cb 0.43 0.04 0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1oww n SER 13 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1oww s GLN 14 N -2.01 3.26 0.00 -1.46 -0.21 -1.26 -4.97 119.66 113.01 1oww s GLN 14 Ca 0.00 0.41 0.31 0.00 0.02 0.00 0.00 55.36 56.11 1oww s GLN 14 Cb -0.00 -2.16 1.66 0.00 1.00 0.00 0.00 33.01 33.51 1oww s GLN 14 CO 0.00 -0.65 2.11 -0.35 -2.12 0.00 0.00 175.29 174.29 1oww n PRO 15 N -2.69 0.79 0.05 2.91 -0.04 -1.26 -2.54 135.00 132.21 1oww n PRO 15 Ca 0.05 -0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1oww n PRO 15 Cb 0.56 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.68 1oww n PRO 15 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1oww n ASN 16 N -1.05 0.67 -4.57 3.54 5.15 -1.26 -4.09 115.26 113.64 1oww n ASN 16 Ca 0.19 0.05 -0.29 0.00 -0.60 0.00 0.00 54.58 53.93 1oww n ASN 16 Cb 0.19 0.24 -0.10 0.00 -0.53 0.00 0.00 39.78 39.58 1oww n ASN 16 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1oww s SER 17 N -4.08 4.34 -0.35 1.20 0.01 -1.05 -1.77 113.70 112.00 1oww s SER 17 Ca 0.06 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1oww s SER 17 Cb 0.14 -0.80 0.10 0.00 0.21 0.00 0.00 66.02 65.67 1oww s SER 17 CO 0.73 0.17 0.09 -2.28 0.41 0.00 0.00 173.24 172.36 1oww s HIS 18 N -1.24 2.95 -0.28 2.43 2.46 -0.44 -4.61 115.29 116.56 1oww s HIS 18 Ca 0.21 -2.58 -0.29 0.00 0.47 0.00 0.00 55.06 52.87 1oww s HIS 18 Cb -0.11 -2.47 -0.00 0.00 -0.13 0.00 0.00 32.58 29.87 1oww s HIS 18 CO 0.14 -0.90 1.36 -1.25 -2.47 0.00 0.00 174.74 171.61 1oww s PRO 19 N 1.00 3.91 0.07 2.88 0.04 -1.26 -2.17 135.00 139.46 1oww s PRO 19 Ca 0.12 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.53 1oww s PRO 19 Cb -0.19 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1oww s PRO 19 CO -0.12 -1.13 -0.01 -1.50 0.04 0.00 0.00 177.00 174.28 1oww s ILE 20 N 4.48 3.99 0.02 0.56 2.07 -0.81 -3.22 121.20 128.29 1oww s ILE 20 Ca 0.59 -0.93 0.02 0.00 -1.41 0.00 0.00 60.65 58.92 1oww s ILE 20 Cb -0.18 -2.87 -0.02 0.00 0.13 0.00 0.00 42.46 39.52 1oww s ILE 20 CO 0.24 0.18 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.79 1oww s GLN 21 N -2.13 0.51 0.18 3.50 0.74 -1.22 -2.24 119.66 119.00 1oww s GLN 21 Ca 0.24 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.15 1oww s GLN 21 Cb -0.12 -0.38 -0.05 0.00 1.10 0.00 0.00 33.01 33.57 1oww s GLN 21 CO 0.16 0.09 0.03 1.67 -0.55 0.00 0.00 175.29 176.69 1oww s TRP 22 N -0.81 1.23 -0.03 1.67 -2.14 -0.78 -1.99 118.94 116.09 1oww s TRP 22 Ca -0.04 -1.08 -0.01 0.00 2.66 0.00 0.00 56.10 57.63 1oww s TRP 22 Cb -0.06 -0.70 0.03 0.00 -3.10 0.00 0.00 33.47 29.63 1oww s TRP 22 CO 0.00 -0.28 0.05 -0.80 -2.66 0.00 0.00 176.95 173.27 1oww s ASN 23 N -3.18 0.02 0.46 -2.66 0.01 -0.26 -4.68 114.94 104.64 1oww s ASN 23 Ca 0.27 0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.55 1oww s ASN 23 Cb 0.07 0.00 0.01 0.00 0.41 0.00 0.00 41.25 41.74 1oww s ASN 23 CO 0.06 -0.11 0.64 0.00 -1.51 0.00 0.00 177.10 176.17 1oww s ALA 24 N 0.88 4.17 1.02 0.60 0.00 -1.26 -2.01 121.76 125.17 1oww s ALA 24 Ca -0.07 -1.44 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 1oww s ALA 24 Cb -0.10 -1.85 0.20 0.00 0.00 0.00 0.00 23.12 21.37 1oww s ALA 24 CO -0.03 -0.42 1.08 -2.14 0.00 0.00 0.00 175.76 174.25 1oww s PRO 25 N -4.49 0.23 -0.14 0.00 0.02 -1.26 -4.96 135.00 124.40 1oww s PRO 25 Ca 0.53 0.76 -0.21 0.00 0.02 0.00 0.00 61.00 62.11 1oww s PRO 25 Cb -0.10 -1.69 -0.18 0.00 0.02 0.00 0.00 34.50 32.54 1oww s PRO 25 CO 0.35 -2.93 0.48 0.37 -0.33 0.00 0.00 177.00 174.94 1oww h GLN 26 N -2.05 0.00 -7.37 5.54 -0.00 -2.01 -3.48 115.11 105.75 1oww h GLN 26 Ca -0.55 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 57.63 1oww h GLN 26 Cb 1.32 0.00 0.14 0.00 0.00 0.00 0.00 27.48 28.94 1oww h GLN 26 CO 0.53 0.73 0.26 -2.14 0.00 0.00 0.00 178.83 178.22 1oww s PRO 27 N -2.10 1.30 -0.25 -2.39 0.02 -1.26 -4.96 135.00 125.37 1oww s PRO 27 Ca -0.16 0.70 -0.29 0.00 0.02 0.00 0.00 61.00 61.27 1oww s PRO 27 Cb -0.01 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1oww s PRO 27 CO 0.50 -2.18 1.16 -1.54 -0.33 0.00 0.00 177.00 174.61 1oww s SER 28 N -3.57 6.94 0.00 2.53 1.04 -1.26 -4.45 113.70 114.93 1oww s SER 28 Ca 0.63 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.42 1oww s SER 28 Cb -0.17 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1oww s SER 28 CO 0.56 -0.82 0.00 1.57 0.98 0.00 0.00 173.24 175.54 1oww n HIS 29 N 6.76 -0.62 -4.72 5.02 -0.00 -1.26 -5.06 115.22 115.33 1oww n HIS 29 Ca 0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.52 1oww n HIS 29 Cb 0.46 0.12 -0.12 0.00 -0.00 0.00 0.00 29.99 30.45 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 -1.48 3.39 0.00 3.57 1.01 -1.26 -2.97 121.20 123.46 1oww s ILE 30 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1oww s ILE 30 Cb 0.00 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1oww s ILE 30 CO 0.00 0.57 0.00 -0.24 0.00 0.00 0.00 174.94 175.27 1oww n SER 31 N 2.59 0.00 -4.93 3.58 2.88 -0.03 -4.92 113.62 112.79 1oww n SER 31 Ca -0.18 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.11 1oww n SER 31 Cb 0.53 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1oww n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1oww s LYS 32 N 0.00 3.14 -0.02 -1.46 2.20 -1.13 -4.17 119.74 118.30 1oww s LYS 32 Ca 0.00 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.52 1oww s LYS 32 Cb 0.00 -2.41 -0.01 0.00 -1.51 0.00 0.00 37.83 33.90 1oww s LYS 32 CO 0.00 -0.40 -0.14 0.71 -0.36 0.00 0.00 175.35 175.16 1oww s TYR 33 N -2.76 1.31 -0.09 4.03 2.02 -0.98 -1.16 117.35 119.72 1oww s TYR 33 Ca 0.50 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.97 1oww s TYR 33 Cb -0.10 -0.85 -0.00 0.00 -0.40 0.00 0.00 41.96 40.60 1oww s TYR 33 CO 0.42 -0.05 -0.23 0.42 -1.57 0.00 0.00 175.55 174.55 1oww s ILE 34 N -0.25 2.16 -0.10 2.71 1.01 0.10 -1.04 121.20 125.79 1oww s ILE 34 Ca 0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 1oww s ILE 34 Cb -0.07 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1oww s ILE 34 CO -0.00 0.56 -0.07 -0.76 0.00 0.00 0.00 174.94 174.67 1oww s LEU 35 N 0.24 3.14 0.12 2.97 1.43 -0.86 -1.06 118.68 124.65 1oww s LEU 35 Ca -0.15 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1oww s LEU 35 Cb -0.17 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1oww s LEU 35 CO 0.08 0.28 -0.11 0.00 0.23 0.00 0.00 176.35 176.82 1oww s ARG 36 N -0.30 0.97 -0.10 1.70 3.03 -0.39 -1.00 118.95 122.85 1oww s ARG 36 Ca 0.04 -1.27 -0.20 0.00 2.03 0.00 0.00 55.73 56.33 1oww s ARG 36 Cb -0.13 -0.69 0.05 0.00 -1.03 0.00 0.00 34.95 33.15 1oww s ARG 36 CO 0.02 0.11 0.49 1.67 -1.13 0.00 0.00 175.30 176.46 1oww s TRP 37 N -2.60 -0.47 -0.00 5.89 -2.14 -0.83 -1.48 118.94 117.31 1oww s TRP 37 Ca 0.10 0.97 0.01 0.00 2.66 0.00 0.00 56.10 59.84 1oww s TRP 37 Cb -0.02 0.22 -0.00 0.00 -3.10 0.00 0.00 33.47 30.57 1oww s TRP 37 CO 0.01 -0.39 -0.02 0.50 -2.66 0.00 0.00 176.95 174.39 1oww s ARG 38 N -0.57 0.19 -0.23 3.25 3.52 -0.67 -2.19 118.95 122.26 1oww s ARG 38 Ca -0.07 -0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.16 1oww s ARG 38 Cb -0.03 -0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.15 1oww s ARG 38 CO 0.04 0.04 1.43 -1.25 -0.81 0.00 0.00 175.30 174.76 1oww s PRO 39 N -0.01 3.94 -1.15 5.12 0.04 -1.26 -1.00 135.00 140.67 1oww s PRO 39 Ca 0.00 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 1oww s PRO 39 Cb -0.01 -3.93 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 1oww s PRO 39 CO -0.00 -1.10 1.93 0.21 0.04 0.00 0.00 177.00 178.07 1oww s LYS 40 N 4.24 2.56 0.00 4.56 2.36 -0.51 -2.89 119.74 130.07 1oww s LYS 40 Ca 0.63 -1.09 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 1oww s LYS 40 Cb -0.22 -5.23 0.00 0.00 -1.05 0.00 0.00 37.83 31.33 1oww s LYS 40 CO 0.24 -3.84 0.00 0.27 1.55 0.00 0.00 175.35 173.58 1oww n ASN 41 N 14.08 -0.02 -4.97 1.43 0.23 -1.26 -4.81 115.26 119.93 1oww n ASN 41 Ca 0.44 0.01 -0.21 0.00 -0.53 0.00 0.00 54.58 54.29 1oww n ASN 41 Cb 0.47 0.40 -0.00 0.00 -2.08 0.00 0.00 39.78 38.57 1oww n ASN 41 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1oww s SER 42 N -2.00 6.00 -0.36 0.53 1.04 -1.14 -5.03 113.70 112.74 1oww s SER 42 Ca 0.00 0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.56 1oww s SER 42 Cb 0.00 -1.47 0.45 0.00 0.10 0.00 0.00 66.02 65.10 1oww s SER 42 CO 0.00 -0.45 1.10 1.33 0.98 0.00 0.00 173.24 176.20 1oww n VAL 43 N -1.75 2.04 -1.05 5.02 0.24 -1.26 -4.80 118.33 116.77 1oww n VAL 43 Ca -0.01 -4.17 0.00 0.00 -2.04 0.00 0.00 64.34 58.11 1oww n VAL 43 Cb 0.58 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.48 1.48 3.69 7.63 0.00 -1.26 -5.03 105.19 111.23 1oww n GLY 44 Ca 0.31 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 1oww n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1oww s ARG 45 N 2.68 4.44 0.46 1.61 3.52 -1.26 -5.03 118.95 125.37 1oww s ARG 45 Ca 0.00 1.47 0.08 0.00 -0.13 0.00 0.00 55.73 57.14 1oww s ARG 45 Cb 0.00 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1oww s ARG 45 CO 0.00 -0.27 0.47 1.67 -0.81 0.00 0.00 175.30 176.36 1oww s TRP 46 N 1.75 2.37 0.22 5.12 1.48 -1.26 -5.01 118.94 123.60 1oww s TRP 46 Ca 0.51 -0.57 0.08 0.00 -1.06 0.00 0.00 56.10 55.07 1oww s TRP 46 Cb -0.21 -2.17 -0.04 0.00 -1.16 0.00 0.00 33.47 29.89 1oww s TRP 46 CO 0.22 -0.37 -0.01 0.15 -4.06 0.00 0.00 176.95 172.88 1oww s LYS 47 N -4.27 2.32 0.11 3.25 1.02 -0.93 -5.02 119.74 116.23 1oww s LYS 47 Ca 0.49 -1.26 -0.13 0.00 0.02 0.00 0.00 55.97 55.08 1oww s LYS 47 Cb -0.04 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1oww s LYS 47 CO 0.29 0.41 0.32 -1.83 -0.92 0.00 0.00 175.35 173.63 1oww s GLU 48 N -3.27 0.98 0.13 1.68 -1.05 -1.26 -1.97 118.70 113.93 1oww s GLU 48 Ca 0.29 -0.78 -0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1oww s GLU 48 Cb -0.08 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1oww s GLU 48 CO 0.19 -0.36 0.02 0.00 0.95 0.00 0.00 175.26 176.06 1oww s ALA 49 N -3.76 0.97 -0.10 -0.84 0.00 -0.17 -5.00 121.76 112.86 1oww s ALA 49 Ca 0.03 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.55 1oww s ALA 49 Cb 0.03 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1oww s ALA 49 CO -0.11 -0.41 -0.17 0.99 0.00 0.00 0.00 175.76 176.06 1oww s THR 50 N -3.89 1.58 -0.07 0.00 2.01 -1.26 -2.03 115.64 111.98 1oww s THR 50 Ca 0.21 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1oww s THR 50 Cb 0.07 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1oww s THR 50 CO 0.00 0.46 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.56 1oww s ILE 51 N 0.74 2.52 1.06 1.82 1.09 -0.21 -5.01 121.20 123.21 1oww s ILE 51 Ca -0.12 -0.90 -0.12 0.00 -1.10 0.00 0.00 60.65 58.41 1oww s ILE 51 Cb -0.16 -1.96 0.23 0.00 -1.06 0.00 0.00 42.46 39.50 1oww s ILE 51 CO 0.02 0.57 1.07 -2.84 -0.10 0.00 0.00 174.94 173.66 1oww s PRO 52 N -0.26 -0.11 0.28 2.79 0.02 -1.26 -2.31 135.00 134.15 1oww s PRO 52 Ca 0.00 0.95 0.25 0.00 0.02 0.00 0.00 61.00 62.22 1oww s PRO 52 Cb -0.13 -1.64 0.58 0.00 0.02 0.00 0.00 34.50 33.33 1oww s PRO 52 CO 0.03 -3.21 1.65 0.78 -0.33 0.00 0.00 177.00 175.92 1oww h GLY 53 N -2.26 0.00 1.62 0.52 0.00 -1.92 -3.15 103.07 97.88 1oww h GLY 53 Ca -0.55 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 1oww h GLY 53 CO 0.50 0.00 -0.90 1.12 0.00 0.00 0.00 176.54 177.26 1oww h HIS 54 N 0.00 0.00 -3.35 5.60 2.07 -1.92 -3.44 115.15 114.11 1oww h HIS 54 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 1oww h HIS 54 Cb 0.84 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.76 1oww h HIS 54 CO 0.00 0.58 0.01 -0.51 -3.07 0.00 0.00 177.93 174.94 1oww s LEU 55 N -6.23 4.33 0.00 6.12 1.43 -1.19 -4.94 118.68 118.20 1oww s LEU 55 Ca 0.01 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 1oww s LEU 55 Cb 0.08 -2.96 0.21 0.00 0.03 0.00 0.00 46.19 43.55 1oww s LEU 55 CO 0.78 -0.04 1.12 -0.46 0.23 0.00 0.00 176.35 177.98 1oww n ASN 56 N 3.53 2.54 -3.88 2.29 6.94 -1.26 -4.76 115.26 120.66 1oww n ASN 56 Ca -0.04 -1.89 -0.09 0.00 -0.02 0.00 0.00 54.58 52.54 1oww n ASN 56 Cb 0.51 -0.15 -0.07 0.00 -2.36 0.00 0.00 39.78 37.71 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 -0.95 0.12 0.10 0.53 1.04 -1.26 -1.86 113.70 111.41 1oww s SER 57 Ca 0.16 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.79 1oww s SER 57 Cb 0.09 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1oww s SER 57 CO 0.12 -0.75 0.24 -0.47 0.98 0.00 0.00 173.24 173.36 1oww s TYR 58 N -3.88 0.09 -0.31 5.02 5.04 -0.95 -5.02 117.35 117.33 1oww s TYR 58 Ca 0.07 -0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 54.19 1oww s TYR 58 Cb 0.05 0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.42 1oww s TYR 58 CO -0.09 -0.59 0.01 0.99 -1.34 0.00 0.00 175.55 174.54 1oww s THR 59 N -3.85 3.03 0.14 4.34 2.01 -1.26 -1.93 115.64 118.12 1oww s THR 59 Ca 0.05 -1.41 -0.27 0.00 0.31 0.00 0.00 61.69 60.38 1oww s THR 59 Cb 0.04 -2.76 -0.07 0.00 0.01 0.00 0.00 72.50 69.72 1oww s THR 59 CO -0.11 -0.14 0.83 -0.63 -0.69 0.00 0.00 174.62 173.88 1oww s ILE 60 N 1.25 4.43 0.10 1.82 1.01 -0.92 -4.97 121.20 123.92 1oww s ILE 60 Ca -0.04 1.81 -0.10 0.00 0.00 0.00 0.00 60.65 62.32 1oww s ILE 60 Cb -0.20 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.08 1oww s ILE 60 CO -0.01 0.45 0.23 -1.59 0.00 0.00 0.00 174.94 174.01 1oww s LYS 61 N -0.70 0.91 0.00 2.79 -2.85 -1.26 -1.33 119.74 117.30 1oww s LYS 61 Ca 0.39 -0.95 0.00 0.00 -1.00 0.00 0.00 55.97 54.41 1oww s LYS 61 Cb -0.23 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1oww s LYS 61 CO 0.27 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.83 1oww n GLY 62 N -0.10 0.59 3.62 0.59 0.00 -0.76 -5.00 105.19 104.13 1oww n GLY 62 Ca -0.14 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.15 2.80 0.13 0.99 1.43 -0.73 -5.07 118.68 117.08 1oww s LEU 63 Ca 0.00 -1.39 0.03 0.00 -1.03 0.00 0.00 54.13 51.73 1oww s LEU 63 Cb 0.00 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1oww s LEU 63 CO 0.00 -0.49 0.23 -0.54 0.23 0.00 0.00 176.35 175.78 1oww s LYS 64 N -3.73 3.29 0.59 1.70 1.02 -1.26 -4.40 119.74 116.95 1oww s LYS 64 Ca 0.33 -0.64 -0.14 0.00 0.02 0.00 0.00 55.97 55.54 1oww s LYS 64 Cb 0.09 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1oww s LYS 64 CO 0.17 0.53 1.03 -1.25 -0.92 0.00 0.00 175.35 174.91 1oww s PRO 65 N -3.02 3.52 -1.55 -1.68 0.04 -1.26 -4.36 135.00 126.69 1oww s PRO 65 Ca 0.33 0.97 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1oww s PRO 65 Cb -0.11 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1oww s PRO 65 CO 0.27 -0.63 0.30 0.41 0.04 0.00 0.00 177.00 177.39 1oww n GLY 66 N -1.77 -0.51 3.15 0.56 0.00 -0.76 -4.94 105.19 100.93 1oww n GLY 66 Ca 0.07 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.03 1.18 -0.09 1.61 0.11 -0.89 -4.98 120.40 114.31 1oww s VAL 67 Ca 0.17 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 58.14 1oww s VAL 67 Cb -0.08 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.68 1oww s VAL 67 CO 0.21 0.10 0.32 0.54 -3.33 0.00 0.00 175.10 172.94 1oww s VAL 68 N -0.73 5.23 0.12 2.04 0.11 -1.26 -2.33 120.40 123.58 1oww s VAL 68 Ca 0.03 0.63 0.08 0.00 -2.93 0.00 0.00 61.98 59.79 1oww s VAL 68 Cb -0.07 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.10 1oww s VAL 68 CO 0.01 0.49 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.86 1oww s TYR 69 N -0.36 2.69 0.07 1.54 1.51 -0.36 -1.43 117.35 121.01 1oww s TYR 69 Ca 0.20 -0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 55.98 1oww s TYR 69 Cb -0.14 -1.39 -0.06 0.00 -0.11 0.00 0.00 41.96 40.26 1oww s TYR 69 CO 0.08 0.44 0.37 -1.83 -1.11 0.00 0.00 175.55 173.50 1oww s GLU 70 N -2.35 3.71 0.03 -0.62 -1.05 -0.17 -2.11 118.70 116.14 1oww s GLU 70 Ca 0.22 0.11 0.01 0.00 -0.15 0.00 0.00 54.97 55.15 1oww s GLU 70 Cb -0.10 -3.01 -0.02 0.00 -0.44 0.00 0.00 34.13 30.56 1oww s GLU 70 CO 0.14 0.57 -0.05 0.20 0.95 0.00 0.00 175.26 177.07 1oww s GLY 71 N -1.79 0.34 -0.01 -3.83 0.00 -0.89 -1.66 107.32 99.47 1oww s GLY 71 Ca 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1oww s GLY 71 CO 0.18 -0.69 -0.01 1.20 0.00 0.00 0.00 173.10 173.78 1oww s GLN 72 N -1.44 0.16 -0.39 2.90 -0.21 -0.55 -2.01 119.66 118.13 1oww s GLN 72 Ca -0.13 0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.27 1oww s GLN 72 Cb -0.10 -0.25 0.11 0.00 1.00 0.00 0.00 33.01 33.77 1oww s GLN 72 CO -0.00 -0.04 0.14 -1.17 -2.12 0.00 0.00 175.29 172.09 1oww s LEU 73 N 0.42 4.98 -0.13 2.90 2.96 -0.46 -1.26 118.68 128.09 1oww s LEU 73 Ca -0.04 -2.15 -0.21 0.00 -0.22 0.00 0.00 54.13 51.51 1oww s LEU 73 Cb -0.06 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 1oww s LEU 73 CO -0.01 -0.45 0.60 -0.63 -1.32 0.00 0.00 176.35 174.55 1oww s ILE 74 N 0.94 5.08 -0.26 6.68 1.01 -0.22 -1.62 121.20 132.81 1oww s ILE 74 Ca 0.10 1.19 -0.04 0.00 0.00 0.00 0.00 60.65 61.91 1oww s ILE 74 Cb -0.21 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.34 1oww s ILE 74 CO -0.06 0.23 -0.01 -0.94 0.00 0.00 0.00 174.94 174.16 1oww s SER 75 N 0.88 4.61 0.03 3.58 1.04 0.19 -0.72 113.70 123.31 1oww s SER 75 Ca 0.31 -0.72 -0.18 0.00 0.48 0.00 0.00 55.95 55.84 1oww s SER 75 Cb -0.16 -1.76 -0.06 0.00 0.10 0.00 0.00 66.02 64.14 1oww s SER 75 CO 0.13 -0.13 0.51 -0.63 0.98 0.00 0.00 173.24 174.10 1oww s ILE 76 N 1.42 4.88 0.13 -1.02 -1.09 -0.31 -2.07 121.20 123.14 1oww s ILE 76 Ca 0.02 1.08 0.02 0.00 -2.23 0.00 0.00 60.65 59.55 1oww s ILE 76 Cb -0.16 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1oww s ILE 76 CO -0.02 0.53 0.23 -1.10 -1.23 0.00 0.00 174.94 173.36 1oww s GLN 77 N -0.86 3.32 -0.56 2.79 -0.21 -0.93 -0.85 119.66 122.35 1oww s GLN 77 Ca 0.27 -0.61 -0.27 0.00 0.02 0.00 0.00 55.36 54.77 1oww s GLN 77 Cb -0.18 -2.92 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 1oww s GLN 77 CO 0.16 0.54 1.92 -0.65 -2.12 0.00 0.00 175.29 175.14 1oww s GLN 78 N -3.01 2.64 -1.55 2.91 -0.21 -1.16 -2.97 119.66 116.32 1oww s GLN 78 Ca 0.34 0.80 -0.14 0.00 0.02 0.00 0.00 55.36 56.37 1oww s GLN 78 Cb -0.11 -4.39 0.09 0.00 1.00 0.00 0.00 33.01 29.60 1oww s GLN 78 CO 0.27 -2.70 0.98 0.66 -2.12 0.00 0.00 175.29 172.39 1oww n TYR 79 N 12.85 -2.29 0.00 0.91 4.01 -1.26 -4.83 117.16 126.56 1oww n TYR 79 Ca 0.23 0.90 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 1oww n TYR 79 Cb 0.52 -3.93 0.00 0.00 -0.31 0.00 0.00 39.34 35.62 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 -1.68 3.20 2.24 2.72 0.00 -1.16 -5.18 105.19 105.34 1oww n GLY 80 Ca 0.05 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 1oww n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oww n HIS 81 N 0.00 -3.86 -4.28 1.61 8.25 -1.26 -4.85 115.22 110.83 1oww n HIS 81 Ca 0.00 -0.74 -0.18 0.00 -0.26 0.00 0.00 57.72 56.54 1oww n HIS 81 Cb 0.00 -0.57 -0.15 0.00 1.12 0.00 0.00 29.99 30.39 1oww n HIS 81 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1oww s GLN 82 N -4.58 0.70 -0.05 -0.41 -0.21 -1.26 -2.20 119.66 111.65 1oww s GLN 82 Ca 0.43 -0.24 0.05 0.00 0.02 0.00 0.00 55.36 55.62 1oww s GLN 82 Cb -0.01 -0.68 -0.02 0.00 1.00 0.00 0.00 33.01 33.30 1oww s GLN 82 CO 0.30 0.11 -0.22 -2.00 -2.12 0.00 0.00 175.29 171.36 1oww s GLU 83 N 0.08 2.51 -0.07 2.91 2.56 -0.88 -4.99 118.70 120.83 1oww s GLU 83 Ca -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 54.97 54.13 1oww s GLU 83 Cb -0.06 -2.23 -0.03 0.00 2.00 0.00 0.00 34.13 33.81 1oww s GLU 83 CO -0.00 0.47 -0.09 0.54 -0.56 0.00 0.00 175.26 175.62 1oww s VAL 84 N -0.36 3.54 -0.07 3.70 0.11 -1.26 -0.64 120.40 125.43 1oww s VAL 84 Ca 0.02 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.59 1oww s VAL 84 Cb -0.12 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.28 1oww s VAL 84 CO 0.02 0.59 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.25 1oww s THR 85 N -0.69 2.00 0.10 5.04 2.01 -0.64 -4.64 115.64 118.82 1oww s THR 85 Ca 0.10 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.15 1oww s THR 85 Cb -0.11 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1oww s THR 85 CO 0.01 0.56 -0.20 -0.13 -0.69 0.00 0.00 174.62 174.17 1oww s ARG 86 N -0.04 1.09 0.17 4.92 0.52 -1.26 -1.36 118.95 122.99 1oww s ARG 86 Ca -0.07 -1.12 -0.13 0.00 -0.52 0.00 0.00 55.73 53.89 1oww s ARG 86 Cb -0.14 -1.32 0.05 0.00 0.52 0.00 0.00 34.95 34.05 1oww s ARG 86 CO 0.05 0.31 0.64 1.97 0.02 0.00 0.00 175.30 178.28 1oww n PHE 87 N 1.15 -1.34 -4.15 -0.53 1.16 -0.85 -5.01 117.46 107.88 1oww n PHE 87 Ca -0.20 -0.97 -0.11 0.00 -1.87 0.00 0.00 57.45 54.31 1oww n PHE 87 Cb 0.54 0.48 -0.10 0.00 -1.61 0.00 0.00 39.48 38.78 1oww n PHE 87 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1oww s ASP 88 N -2.56 1.09 0.25 5.98 1.47 -1.26 -2.10 116.67 119.54 1oww s ASP 88 Ca 0.14 -0.92 -0.01 0.00 1.18 0.00 0.00 52.55 52.94 1oww s ASP 88 Cb -0.02 0.08 -0.03 0.00 -0.34 0.00 0.00 42.92 42.61 1oww s ASP 88 CO 0.05 -0.41 0.24 0.72 0.68 0.00 0.00 175.17 176.45 1oww s PHE 89 N -3.19 1.18 0.03 2.11 -0.71 -0.90 -4.90 117.98 111.60 1oww s PHE 89 Ca 0.08 -1.35 -0.02 0.00 -1.04 0.00 0.00 56.93 54.60 1oww s PHE 89 Cb 0.02 -0.45 -0.02 0.00 -1.21 0.00 0.00 43.02 41.37 1oww s PHE 89 CO -0.04 -0.79 0.02 -0.08 -1.34 0.00 0.00 175.22 172.99 1oww s THR 90 N -3.87 0.13 -0.11 -4.49 -1.32 -1.26 -1.22 115.64 103.49 1oww s THR 90 Ca 0.36 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.75 1oww s THR 90 Cb 0.04 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 1oww s THR 90 CO 0.16 -0.60 -0.13 0.42 -2.21 0.00 0.00 174.62 172.26 1oww s THR 91 N -2.18 3.08 0.04 5.08 -4.23 -0.98 -4.98 115.64 111.46 1oww s THR 91 Ca -0.09 -0.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1oww s THR 91 Cb -0.04 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 1oww s THR 91 CO -0.03 0.54 -0.14 0.42 -0.54 0.00 0.00 174.62 174.87 1oww s THR 92 N 0.14 1.07 -2.97 3.99 -4.23 -1.26 -1.82 115.64 110.55 1oww s THR 92 Ca -0.06 -0.99 0.24 0.00 -1.18 0.00 0.00 61.69 59.70 1oww s THR 92 Cb -0.15 -0.97 0.19 0.00 1.34 0.00 0.00 72.50 72.91 1oww s THR 92 CO 0.05 -0.01 1.25 -1.54 -0.54 0.00 0.00 174.62 173.83