#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 3.93 3.74 0.23 0.00 -1.26 -5.01 105.19 106.82 1oww n GLY 2 Ca 0.00 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 4.07 4.15 0.54 1.61 0.02 -1.26 -4.89 135.00 139.24 1oww s PRO 3 Ca 0.00 2.52 -0.06 0.00 0.02 0.00 0.00 61.00 63.48 1oww s PRO 3 Cb 0.00 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 1oww s PRO 3 CO 0.00 -0.63 0.87 0.08 -0.33 0.00 0.00 177.00 176.99 1oww s VAL 4 N 0.37 4.41 -0.41 3.83 1.01 -1.26 -4.96 120.40 123.40 1oww s VAL 4 Ca 0.66 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 1oww s VAL 4 Cb -0.47 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.26 1oww s VAL 4 CO 0.42 -0.75 0.24 -1.61 0.00 0.00 0.00 175.10 173.40 1oww s GLU 5 N -4.91 2.65 -0.01 2.72 2.02 -1.26 -4.96 118.70 114.95 1oww s GLU 5 Ca 0.51 -1.37 0.05 0.00 0.02 0.00 0.00 54.97 54.18 1oww s GLU 5 Cb -0.10 -3.76 -0.01 0.00 0.10 0.00 0.00 34.13 30.35 1oww s GLU 5 CO 0.46 -0.89 -0.17 0.54 0.02 0.00 0.00 175.26 175.22 1oww s VAL 6 N 1.45 1.32 0.06 2.63 0.11 -1.26 -1.45 120.40 123.26 1oww s VAL 6 Ca 0.03 -0.74 -0.04 0.00 -2.93 0.00 0.00 61.98 58.30 1oww s VAL 6 Cb -0.22 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1oww s VAL 6 CO 0.03 0.35 0.06 0.72 -3.33 0.00 0.00 175.10 172.93 1oww s PHE 7 N -0.42 0.36 0.35 1.54 -0.71 -0.98 -5.03 117.98 113.08 1oww s PHE 7 Ca 0.06 -0.84 -0.03 0.00 -1.04 0.00 0.00 56.93 55.09 1oww s PHE 7 Cb -0.07 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1oww s PHE 7 CO -0.00 -0.43 0.59 0.96 -1.34 0.00 0.00 175.22 175.00 1oww s ILE 8 N -3.71 5.04 0.03 -4.49 -4.36 -1.26 -3.07 121.20 109.38 1oww s ILE 8 Ca 0.05 -0.13 -0.18 0.00 -0.26 0.00 0.00 60.65 60.13 1oww s ILE 8 Cb 0.06 -3.81 -0.24 0.00 1.25 0.00 0.00 42.46 39.72 1oww s ILE 8 CO -0.10 -0.51 1.13 0.71 0.24 0.00 0.00 174.94 176.41 1oww h THR 9 N 0.92 1.37 -3.06 8.37 1.35 -1.95 -3.48 112.91 116.44 1oww h THR 9 Ca -0.48 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1oww h THR 9 Cb 1.20 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 1oww h THR 9 CO 0.63 0.64 -0.02 1.21 -0.25 0.00 0.00 175.52 177.73 1oww n GLU 10 N -4.08 -0.08 -4.66 4.72 2.13 -1.26 -5.10 120.64 112.31 1oww n GLU 10 Ca -0.11 0.55 -0.32 0.00 0.66 0.00 0.00 57.16 57.94 1oww n GLU 10 Cb 0.75 -1.37 -0.12 0.00 0.27 0.00 0.00 31.44 30.98 1oww n GLU 10 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1oww s THR 11 N -0.55 3.28 -0.72 6.31 -4.23 -1.26 -5.08 115.64 113.39 1oww s THR 11 Ca 0.00 -0.81 -0.27 0.00 -1.18 0.00 0.00 61.69 59.43 1oww s THR 11 Cb -0.00 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.50 1oww s THR 11 CO 0.02 0.47 1.36 -2.16 -0.54 0.00 0.00 174.62 173.76 1oww s PRO 12 N -1.14 3.12 0.09 3.99 0.04 -1.26 -4.65 135.00 135.18 1oww s PRO 12 Ca 0.14 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1oww s PRO 12 Cb -0.11 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1oww s PRO 12 CO 0.04 -2.22 0.00 0.43 0.04 0.00 0.00 177.00 175.29 1oww n SER 13 N 9.82 -4.50 -3.56 6.66 7.64 -1.26 -5.09 113.62 123.33 1oww n SER 13 Ca 0.05 0.48 -0.15 0.00 1.01 0.00 0.00 58.87 60.27 1oww n SER 13 Cb 0.49 -2.15 -0.12 0.00 -1.01 0.00 0.00 64.21 61.42 1oww n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oww s GLN 14 N -2.42 0.19 -0.14 1.43 0.00 -0.96 -4.95 119.66 112.80 1oww s GLN 14 Ca 0.00 0.52 -0.14 0.00 -0.00 0.00 0.00 55.36 55.74 1oww s GLN 14 Cb 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 33.01 32.37 1oww s GLN 14 CO 0.00 -0.47 0.20 -1.00 0.00 0.00 0.00 175.29 174.02 1oww h PRO 15 N 8.28 0.00 0.00 9.60 0.13 -1.93 -3.05 132.00 145.03 1oww h PRO 15 Ca -0.16 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1oww h PRO 15 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1oww h PRO 15 CO 0.21 0.45 -1.06 0.09 -0.23 0.00 0.00 178.00 177.46 1oww n ASN 16 N -4.63 4.72 -4.90 1.44 5.03 -1.26 -2.32 115.26 113.33 1oww n ASN 16 Ca -0.10 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.02 1oww n ASN 16 Cb 0.32 1.04 -0.05 0.00 -1.02 0.00 0.00 39.78 40.07 1oww n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1oww s SER 17 N -2.17 6.44 -0.32 6.41 1.04 -1.26 -1.30 113.70 122.54 1oww s SER 17 Ca -0.00 0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.91 1oww s SER 17 Cb 0.01 -2.04 0.16 0.00 0.10 0.00 0.00 66.02 64.24 1oww s SER 17 CO 0.05 0.16 0.39 -2.28 0.98 0.00 0.00 173.24 172.54 1oww s HIS 18 N -1.49 -0.76 0.23 5.02 2.46 -0.42 -4.79 115.29 115.54 1oww s HIS 18 Ca 0.34 -0.07 -0.30 0.00 0.47 0.00 0.00 55.06 55.50 1oww s HIS 18 Cb -0.13 -0.26 -0.09 0.00 -0.13 0.00 0.00 32.58 31.98 1oww s HIS 18 CO 0.23 -0.98 0.94 -1.25 -2.47 0.00 0.00 174.74 171.21 1oww s PRO 19 N 2.19 4.84 0.05 2.88 0.04 -1.26 -2.15 135.00 141.58 1oww s PRO 19 Ca 0.12 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.70 1oww s PRO 19 Cb -0.13 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1oww s PRO 19 CO -0.23 0.49 -0.12 0.42 0.04 0.00 0.00 177.00 177.60 1oww s ILE 20 N -1.07 3.22 0.04 0.56 -1.09 -1.08 -4.01 121.20 117.76 1oww s ILE 20 Ca 0.41 -1.08 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1oww s ILE 20 Cb -0.26 -2.41 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 1oww s ILE 20 CO 0.32 0.29 -0.07 -1.10 -1.23 0.00 0.00 174.94 173.14 1oww s GLN 21 N -1.65 0.50 0.09 2.79 -0.21 -1.17 -1.29 119.66 118.71 1oww s GLN 21 Ca 0.17 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 54.79 1oww s GLN 21 Cb -0.11 -0.25 -0.03 0.00 1.00 0.00 0.00 33.01 33.62 1oww s GLN 21 CO 0.08 0.04 0.05 1.67 -2.12 0.00 0.00 175.29 175.01 1oww s TRP 22 N -1.38 0.56 0.14 0.91 -2.14 -0.89 -2.31 118.94 113.83 1oww s TRP 22 Ca -0.11 -1.03 0.02 0.00 2.66 0.00 0.00 56.10 57.65 1oww s TRP 22 Cb -0.10 -0.35 0.02 0.00 -3.10 0.00 0.00 33.47 29.94 1oww s TRP 22 CO 0.00 -0.47 0.19 0.09 -2.66 0.00 0.00 176.95 174.10 1oww n ASN 23 N 0.00 0.61 -3.83 -2.66 3.02 -0.53 -4.81 115.26 107.06 1oww n ASN 23 Ca -0.11 -1.39 -0.10 0.00 -0.03 0.00 0.00 54.58 52.96 1oww n ASN 23 Cb 0.62 -0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.64 1oww n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oww s ALA 24 N -2.17 -0.43 1.07 5.41 0.00 -1.26 -4.59 121.76 119.78 1oww s ALA 24 Ca 0.14 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1oww s ALA 24 Cb -0.01 0.76 0.23 0.00 0.00 0.00 0.00 23.12 24.09 1oww s ALA 24 CO 0.09 -0.66 1.07 -2.14 0.00 0.00 0.00 175.76 174.13 1oww s PRO 25 N -3.90 -0.13 -0.13 0.00 0.02 -1.26 -4.99 135.00 124.61 1oww s PRO 25 Ca 0.10 0.55 -0.12 0.00 0.02 0.00 0.00 61.00 61.56 1oww s PRO 25 Cb 0.02 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.77 1oww s PRO 25 CO -0.05 -3.12 0.23 1.96 -0.33 0.00 0.00 177.00 175.69 1oww h GLN 26 N -2.18 0.00 -7.51 5.54 1.08 -2.02 -3.47 115.11 106.55 1oww h GLN 26 Ca -0.57 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.17 1oww h GLN 26 Cb 1.34 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.89 1oww h GLN 26 CO 0.55 0.40 0.32 -1.25 -0.95 0.00 0.00 178.83 177.90 1oww s PRO 27 N -1.93 1.27 -0.36 1.46 0.04 -1.26 -4.94 135.00 129.27 1oww s PRO 27 Ca -0.11 0.26 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 1oww s PRO 27 Cb -0.00 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1oww s PRO 27 CO 0.30 -2.11 1.27 -1.12 0.04 0.00 0.00 177.00 175.38 1oww s SER 28 N -4.12 6.62 0.00 6.66 0.01 -1.26 -4.32 113.70 117.30 1oww s SER 28 Ca 0.64 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1oww s SER 28 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1oww s SER 28 CO 0.53 -1.16 0.00 1.57 0.41 0.00 0.00 173.24 174.58 1oww n HIS 29 N 7.84 -1.54 -4.01 2.43 -0.00 -1.26 -4.99 115.22 113.68 1oww n HIS 29 Ca 0.14 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.51 1oww n HIS 29 Cb 0.47 0.31 -0.11 0.00 -0.00 0.00 0.00 29.99 30.66 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 -1.99 4.43 0.00 3.57 1.01 -1.26 -4.31 121.20 122.65 1oww s ILE 30 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1oww s ILE 30 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1oww s ILE 30 CO 0.00 0.43 0.00 -1.20 0.00 0.00 0.00 174.94 174.17 1oww n SER 31 N 4.00 0.00 -4.90 3.58 7.64 -0.95 -4.99 113.62 118.00 1oww n SER 31 Ca -0.17 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.43 1oww n SER 31 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1oww n SER 31 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1oww s LYS 32 N 0.00 3.65 -0.04 1.43 2.20 -0.66 -4.15 119.74 122.16 1oww s LYS 32 Ca 0.00 0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1oww s LYS 32 Cb 0.00 -2.50 -0.00 0.00 -1.51 0.00 0.00 37.83 33.82 1oww s LYS 32 CO 0.00 0.03 -0.16 0.71 -0.36 0.00 0.00 175.35 175.57 1oww s TYR 33 N -2.35 1.60 -0.09 4.03 2.02 -0.98 -1.22 117.35 120.35 1oww s TYR 33 Ca 0.47 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1oww s TYR 33 Cb -0.10 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.36 1oww s TYR 33 CO 0.34 -0.14 -0.11 0.42 -1.57 0.00 0.00 175.55 174.49 1oww s ILE 34 N 0.01 3.31 -0.21 2.71 1.09 0.08 -0.83 121.20 127.36 1oww s ILE 34 Ca -0.03 -0.60 -0.06 0.00 -1.10 0.00 0.00 60.65 58.86 1oww s ILE 34 Cb -0.11 -2.36 -0.03 0.00 -1.06 0.00 0.00 42.46 38.91 1oww s ILE 34 CO 0.02 0.56 0.04 -0.76 -0.10 0.00 0.00 174.94 174.69 1oww s LEU 35 N -0.29 3.46 0.15 2.97 1.43 -0.84 -1.09 118.68 124.48 1oww s LEU 35 Ca 0.03 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1oww s LEU 35 Cb -0.13 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1oww s LEU 35 CO 0.03 0.07 0.10 -0.13 0.23 0.00 0.00 176.35 176.64 1oww s ARG 36 N 1.01 2.81 -0.17 1.70 3.00 0.08 -0.67 118.95 126.70 1oww s ARG 36 Ca 0.03 -0.88 -0.19 0.00 0.00 0.00 0.00 55.73 54.69 1oww s ARG 36 Cb -0.14 -2.61 0.05 0.00 0.00 0.00 0.00 34.95 32.25 1oww s ARG 36 CO 0.02 0.49 0.53 1.67 0.00 0.00 0.00 175.30 178.01 1oww s TRP 37 N -1.68 -0.56 0.08 -0.53 -2.14 -0.84 -2.02 118.94 111.26 1oww s TRP 37 Ca 0.30 1.31 0.03 0.00 2.66 0.00 0.00 56.10 60.40 1oww s TRP 37 Cb -0.10 0.21 -0.03 0.00 -3.10 0.00 0.00 33.47 30.44 1oww s TRP 37 CO 0.22 -0.32 -0.10 -0.98 -2.66 0.00 0.00 176.95 173.12 1oww s ARG 38 N 0.03 0.77 0.79 3.25 1.70 -0.45 -2.15 118.95 122.90 1oww s ARG 38 Ca -0.02 -1.06 -0.11 0.00 -0.47 0.00 0.00 55.73 54.06 1oww s ARG 38 Cb -0.04 -0.48 0.07 0.00 -0.57 0.00 0.00 34.95 33.94 1oww s ARG 38 CO 0.02 0.08 1.10 -1.25 -1.08 0.00 0.00 175.30 174.16 1oww s PRO 39 N -2.50 2.11 -0.73 3.89 0.04 -1.26 -0.84 135.00 135.71 1oww s PRO 39 Ca 0.02 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 1oww s PRO 39 Cb -0.04 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1oww s PRO 39 CO -0.00 -1.60 2.17 -1.59 0.04 0.00 0.00 177.00 176.02 1oww s LYS 40 N -5.17 2.18 0.00 4.56 -2.85 -0.98 -4.62 119.74 112.85 1oww s LYS 40 Ca 0.61 0.45 0.00 0.00 -1.00 0.00 0.00 55.97 56.02 1oww s LYS 40 Cb -0.14 -4.76 0.00 0.00 -2.06 0.00 0.00 37.83 30.87 1oww s LYS 40 CO 0.54 -3.58 0.00 0.27 0.10 0.00 0.00 175.35 172.68 1oww n ASN 41 N 15.62 0.00 -0.42 0.03 0.23 -1.26 -5.10 115.26 124.36 1oww n ASN 41 Ca 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 1oww n ASN 41 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1oww n ASN 41 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1oww n SER 42 N 0.00 0.00 -2.27 0.53 7.64 -1.26 -4.96 113.62 113.30 1oww n SER 42 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1oww n SER 42 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1oww n SER 42 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1oww n VAL 43 N 0.00 3.28 -0.32 0.44 0.24 -1.26 -4.92 118.33 115.79 1oww n VAL 43 Ca 0.00 -2.65 0.00 0.00 -2.04 0.00 0.00 64.34 59.65 1oww n VAL 43 Cb 0.00 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.07 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 -0.15 1.41 3.73 7.63 0.00 -1.26 -5.02 105.19 111.54 1oww n GLY 44 Ca 0.48 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 2.23 4.59 0.29 1.61 6.06 -1.26 -5.02 118.95 127.45 1oww s ARG 45 Ca 0.00 1.69 -0.04 0.00 -2.50 0.00 0.00 55.73 54.88 1oww s ARG 45 Cb 0.00 -3.29 -0.01 0.00 0.06 0.00 0.00 34.95 31.71 1oww s ARG 45 CO 0.00 0.06 0.40 1.67 -2.50 0.00 0.00 175.30 174.93 1oww s TRP 46 N -0.11 0.94 0.20 5.12 1.48 -1.26 -4.96 118.94 120.35 1oww s TRP 46 Ca 0.50 -1.19 0.08 0.00 -1.06 0.00 0.00 56.10 54.43 1oww s TRP 46 Cb -0.29 -0.15 -0.04 0.00 -1.16 0.00 0.00 33.47 31.84 1oww s TRP 46 CO 0.34 -0.99 -0.03 0.15 -4.06 0.00 0.00 176.95 172.37 1oww s LYS 47 N -3.55 2.28 0.09 3.25 1.02 -0.91 -5.03 119.74 116.90 1oww s LYS 47 Ca 0.31 -1.22 -0.13 0.00 0.02 0.00 0.00 55.97 54.95 1oww s LYS 47 Cb 0.01 -2.26 0.02 0.00 -0.52 0.00 0.00 37.83 35.08 1oww s LYS 47 CO 0.16 0.43 0.31 -1.83 -0.92 0.00 0.00 175.35 173.50 1oww s GLU 48 N -3.07 0.94 0.09 1.68 -1.05 -1.26 -1.99 118.70 114.04 1oww s GLU 48 Ca 0.28 -0.74 0.01 0.00 -0.15 0.00 0.00 54.97 54.36 1oww s GLU 48 Cb -0.09 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 1oww s GLU 48 CO 0.18 -0.33 -0.05 0.00 0.95 0.00 0.00 175.26 176.00 1oww s ALA 49 N -3.55 0.91 -0.11 -0.84 0.00 0.15 -5.01 121.76 113.31 1oww s ALA 49 Ca 0.02 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1oww s ALA 49 Cb 0.02 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.38 1oww s ALA 49 CO -0.10 -0.27 -0.19 0.99 0.00 0.00 0.00 175.76 176.19 1oww s THR 50 N -3.70 1.76 -0.07 0.00 2.01 -1.26 -1.99 115.64 112.40 1oww s THR 50 Ca 0.12 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.35 1oww s THR 50 Cb 0.06 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 1oww s THR 50 CO -0.05 0.49 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.54 1oww s ILE 51 N 0.78 2.47 1.06 1.82 1.09 -0.01 -5.00 121.20 123.41 1oww s ILE 51 Ca -0.10 -0.91 -0.12 0.00 -1.10 0.00 0.00 60.65 58.42 1oww s ILE 51 Cb -0.16 -1.94 0.23 0.00 -1.06 0.00 0.00 42.46 39.52 1oww s ILE 51 CO 0.01 0.57 1.07 -2.84 -0.10 0.00 0.00 174.94 173.64 1oww s PRO 52 N -0.19 -0.11 0.39 2.79 0.02 -1.26 -2.31 135.00 134.33 1oww s PRO 52 Ca -0.02 0.91 0.24 0.00 0.02 0.00 0.00 61.00 62.16 1oww s PRO 52 Cb -0.13 -1.64 0.49 0.00 0.02 0.00 0.00 34.50 33.23 1oww s PRO 52 CO 0.03 -3.20 1.66 0.78 -0.33 0.00 0.00 177.00 175.95 1oww h GLY 53 N -2.25 0.00 1.58 0.52 0.00 -1.92 -3.13 103.07 97.87 1oww h GLY 53 Ca -0.56 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.60 1oww h GLY 53 CO 0.50 0.00 -1.03 1.12 0.00 0.00 0.00 176.54 177.14 1oww h HIS 54 N 0.00 0.00 -3.33 5.60 2.07 -1.92 -3.45 115.15 114.12 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 0.92 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.84 1oww h HIS 54 CO 0.00 0.70 -0.00 -0.51 -3.07 0.00 0.00 177.93 175.05 1oww s LEU 55 N -6.28 4.36 0.00 6.12 1.43 -1.18 -4.95 118.68 118.18 1oww s LEU 55 Ca 0.00 1.12 0.06 0.00 -1.03 0.00 0.00 54.13 54.28 1oww s LEU 55 Cb 0.08 -2.94 0.16 0.00 0.03 0.00 0.00 46.19 43.53 1oww s LEU 55 CO 0.79 0.02 1.13 -0.46 0.23 0.00 0.00 176.35 178.06 1oww n ASN 56 N 3.21 2.49 -4.05 2.29 6.94 -1.26 -4.70 115.26 120.19 1oww n ASN 56 Ca -0.05 -1.99 -0.10 0.00 -0.02 0.00 0.00 54.58 52.42 1oww n ASN 56 Cb 0.51 -0.12 -0.08 0.00 -2.36 0.00 0.00 39.78 37.73 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 -0.99 0.14 0.31 0.53 1.04 -1.26 -2.11 113.70 111.35 1oww s SER 57 Ca 0.12 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.43 1oww s SER 57 Cb 0.07 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1oww s SER 57 CO 0.09 -0.84 0.54 -0.47 0.98 0.00 0.00 173.24 173.53 1oww s TYR 58 N -4.01 0.57 -0.13 5.02 5.04 -0.41 -5.01 117.35 118.42 1oww s TYR 58 Ca 0.21 -0.94 -0.04 0.00 -2.44 0.00 0.00 57.07 53.86 1oww s TYR 58 Cb 0.05 0.21 0.05 0.00 0.35 0.00 0.00 41.96 42.62 1oww s TYR 58 CO 0.02 -1.15 0.07 0.99 -1.34 0.00 0.00 175.55 174.13 1oww s THR 59 N -3.35 0.00 0.17 4.34 2.01 -1.26 -2.65 115.64 114.90 1oww s THR 59 Ca 0.24 -0.04 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 1oww s THR 59 Cb -0.01 -0.52 -0.08 0.00 0.01 0.00 0.00 72.50 71.90 1oww s THR 59 CO 0.14 -0.12 0.67 -0.63 -0.69 0.00 0.00 174.62 173.98 1oww s ILE 60 N 2.10 4.63 0.09 1.82 1.01 -0.92 -4.95 121.20 125.00 1oww s ILE 60 Ca 0.03 1.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.90 1oww s ILE 60 Cb -0.15 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1oww s ILE 60 CO -0.07 0.34 0.05 -0.54 0.00 0.00 0.00 174.94 174.72 1oww s LYS 61 N -1.66 0.80 -0.07 2.79 1.02 -1.26 -1.30 119.74 120.06 1oww s LYS 61 Ca 0.38 -1.27 -0.00 0.00 0.02 0.00 0.00 55.97 55.10 1oww s LYS 61 Cb -0.18 0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1oww s LYS 61 CO 0.21 -0.21 0.06 0.41 -0.92 0.00 0.00 175.35 174.90 1oww n GLY 62 N -0.01 0.52 0.00 -3.33 0.00 -0.88 -4.96 105.19 96.52 1oww n GLY 62 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.31 0.00 -4.12 0.99 4.77 -0.42 -5.05 117.00 111.86 1oww n LEU 63 Ca -0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.80 1oww n LEU 63 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1oww n LEU 63 CO 0.04 -0.10 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.01 1oww s LYS 64 N -0.56 0.74 0.69 3.23 3.01 -1.23 -4.47 119.74 121.14 1oww s LYS 64 Ca 0.00 -0.82 -0.11 0.00 -1.01 0.00 0.00 55.97 54.02 1oww s LYS 64 Cb 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 37.83 36.14 1oww s LYS 64 CO 0.00 0.15 1.07 -1.25 0.51 0.00 0.00 175.35 175.83 1oww s PRO 65 N -1.50 3.04 -1.68 -1.68 0.04 -0.98 -4.33 135.00 127.90 1oww s PRO 65 Ca -0.03 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1oww s PRO 65 Cb -0.09 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1oww s PRO 65 CO 0.01 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.52 1oww n GLY 66 N -2.72 0.89 3.13 0.56 0.00 -0.59 -4.89 105.19 101.56 1oww n GLY 66 Ca 0.07 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.73 1.11 -0.18 1.61 0.11 -1.15 -5.04 120.40 114.13 1oww s VAL 67 Ca 0.00 -0.81 -0.14 0.00 -2.93 0.00 0.00 61.98 58.09 1oww s VAL 67 Cb 0.00 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1oww s VAL 67 CO 0.00 0.14 0.33 0.54 -3.33 0.00 0.00 175.10 172.78 1oww s VAL 68 N -0.61 5.26 -0.04 2.04 0.11 -1.26 -2.55 120.40 123.35 1oww s VAL 68 Ca 0.03 0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 59.64 1oww s VAL 68 Cb -0.07 -3.67 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 1oww s VAL 68 CO 0.00 0.32 0.16 -0.31 -3.33 0.00 0.00 175.10 171.95 1oww s TYR 69 N 0.88 3.54 -0.06 1.54 2.02 -0.24 -2.32 117.35 122.71 1oww s TYR 69 Ca 0.17 0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 57.07 1oww s TYR 69 Cb -0.14 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1oww s TYR 69 CO 0.06 0.66 0.53 -2.00 -1.57 0.00 0.00 175.55 173.23 1oww s GLU 70 N -1.66 4.30 0.10 -0.62 2.56 -0.02 -1.72 118.70 121.64 1oww s GLU 70 Ca 0.23 0.57 0.06 0.00 0.00 0.00 0.00 54.97 55.84 1oww s GLU 70 Cb -0.12 -3.38 -0.03 0.00 2.00 0.00 0.00 34.13 32.59 1oww s GLU 70 CO 0.14 0.27 -0.15 0.20 -0.56 0.00 0.00 175.26 175.17 1oww s GLY 71 N 0.20 1.02 -0.01 -1.50 0.00 -0.89 -1.34 107.32 104.80 1oww s GLY 71 Ca 0.28 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1oww s GLY 71 CO 0.13 -1.23 -0.02 1.20 0.00 0.00 0.00 173.10 173.19 1oww s GLN 72 N -2.25 0.20 -0.49 2.90 -0.21 -0.85 -2.04 119.66 116.92 1oww s GLN 72 Ca 0.05 -0.05 -0.06 0.00 0.02 0.00 0.00 55.36 55.32 1oww s GLN 72 Cb -0.07 -0.24 0.13 0.00 1.00 0.00 0.00 33.01 33.82 1oww s GLN 72 CO 0.03 0.01 0.33 -1.17 -2.12 0.00 0.00 175.29 172.37 1oww s LEU 73 N 0.18 5.52 -0.21 2.90 2.96 -0.68 -0.74 118.68 128.60 1oww s LEU 73 Ca -0.01 -2.15 -0.15 0.00 -0.22 0.00 0.00 54.13 51.59 1oww s LEU 73 Cb -0.04 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1oww s LEU 73 CO -0.00 -0.58 0.38 -0.63 -1.32 0.00 0.00 176.35 174.20 1oww s ILE 74 N 0.98 5.20 -0.32 6.68 1.01 -0.25 -1.60 121.20 132.91 1oww s ILE 74 Ca 0.09 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.37 1oww s ILE 74 Cb -0.23 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.58 1oww s ILE 74 CO -0.03 0.24 0.05 -0.44 0.00 0.00 0.00 174.94 174.77 1oww s SER 75 N 1.11 5.07 -0.04 3.58 0.01 -0.48 -0.74 113.70 122.22 1oww s SER 75 Ca 0.18 -1.31 -0.15 0.00 1.31 0.00 0.00 55.95 55.97 1oww s SER 75 Cb -0.15 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 1oww s SER 75 CO 0.08 -0.31 0.42 -0.63 0.41 0.00 0.00 173.24 173.20 1oww s ILE 76 N 1.29 5.08 -0.40 1.44 1.09 -0.36 -1.39 121.20 127.96 1oww s ILE 76 Ca -0.03 0.84 -0.16 0.00 -1.10 0.00 0.00 60.65 60.21 1oww s ILE 76 Cb -0.20 -3.73 0.01 0.00 -1.06 0.00 0.00 42.46 37.48 1oww s ILE 76 CO -0.00 0.51 0.37 -1.58 -0.10 0.00 0.00 174.94 174.14 1oww s GLN 77 N -0.57 3.16 0.01 2.79 0.74 -0.97 -1.66 119.66 123.17 1oww s GLN 77 Ca 0.24 -0.77 -0.30 0.00 0.05 0.00 0.00 55.36 54.57 1oww s GLN 77 Cb -0.16 -3.93 -0.06 0.00 1.10 0.00 0.00 33.01 29.95 1oww s GLN 77 CO 0.12 -0.74 1.46 -0.65 -0.55 0.00 0.00 175.29 174.93 1oww s GLN 78 N 1.96 4.26 -0.79 1.67 -0.21 -1.26 -1.94 119.66 123.34 1oww s GLN 78 Ca 0.10 2.05 -0.05 0.00 0.02 0.00 0.00 55.36 57.48 1oww s GLN 78 Cb -0.18 -3.59 0.01 0.00 1.00 0.00 0.00 33.01 30.25 1oww s GLN 78 CO 0.12 -0.62 0.61 0.66 -2.12 0.00 0.00 175.29 173.94 1oww n TYR 79 N 5.46 -1.54 0.00 0.91 4.01 -1.26 -4.89 117.16 119.85 1oww n TYR 79 Ca 0.14 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 1oww n TYR 79 Cb 0.43 -3.23 0.00 0.00 -0.31 0.00 0.00 39.34 36.23 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 -1.33 0.98 3.84 2.72 0.00 -0.82 -5.18 105.19 105.42 1oww n GLY 80 Ca -0.01 0.41 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.79 -3.68 1.61 8.25 -1.20 -4.90 115.22 111.52 1oww n HIS 81 Ca 0.00 -1.29 -0.13 0.00 -0.26 0.00 0.00 57.72 56.05 1oww n HIS 81 Cb 0.00 -0.96 -0.13 0.00 1.12 0.00 0.00 29.99 30.02 1oww n HIS 81 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1oww s GLN 82 N -5.73 0.19 0.26 -0.41 0.74 -1.26 -2.30 119.66 111.15 1oww s GLN 82 Ca 0.73 0.71 0.07 0.00 0.05 0.00 0.00 55.36 56.92 1oww s GLN 82 Cb -0.02 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.02 1oww s GLN 82 CO 0.51 -0.24 0.24 -1.21 -0.55 0.00 0.00 175.29 174.04 1oww s GLU 83 N 2.03 3.00 -0.01 1.67 0.41 -0.48 -5.00 118.70 120.32 1oww s GLU 83 Ca -0.03 -1.02 0.02 0.00 -0.41 0.00 0.00 54.97 53.52 1oww s GLU 83 Cb -0.11 -2.62 -0.00 0.00 -1.78 0.00 0.00 34.13 29.62 1oww s GLU 83 CO -0.09 0.37 -0.05 0.54 -0.49 0.00 0.00 175.26 175.54 1oww s VAL 84 N -2.12 0.42 -0.02 2.63 0.11 -1.26 -1.38 120.40 118.77 1oww s VAL 84 Ca 0.34 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 59.26 1oww s VAL 84 Cb -0.08 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1oww s VAL 84 CO 0.26 0.13 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.04 1oww s THR 85 N 0.03 1.81 0.01 5.04 2.01 -0.62 -4.41 115.64 119.50 1oww s THR 85 Ca 0.00 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1oww s THR 85 Cb -0.04 -1.51 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1oww s THR 85 CO -0.00 0.51 -0.07 -0.60 -0.69 0.00 0.00 174.62 173.77 1oww s ARG 86 N -0.48 0.54 0.17 4.92 3.52 -1.26 -1.69 118.95 124.67 1oww s ARG 86 Ca 0.07 -0.41 -0.11 0.00 -0.13 0.00 0.00 55.73 55.16 1oww s ARG 86 Cb -0.09 -0.47 0.04 0.00 -1.56 0.00 0.00 34.95 32.87 1oww s ARG 86 CO -0.00 0.12 0.53 1.97 -0.81 0.00 0.00 175.30 177.11 1oww n PHE 87 N 2.45 -1.45 -4.14 5.12 1.16 -0.87 -5.01 117.46 114.73 1oww n PHE 87 Ca -0.16 -0.93 -0.10 0.00 -1.87 0.00 0.00 57.45 54.38 1oww n PHE 87 Cb 0.57 0.46 -0.10 0.00 -1.61 0.00 0.00 39.48 38.80 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 -2.32 0.99 0.13 5.98 -4.77 -1.26 -2.10 116.67 113.32 1oww s ASP 88 Ca 0.11 -0.93 -0.05 0.00 -3.30 0.00 0.00 52.55 48.38 1oww s ASP 88 Cb -0.02 0.10 -0.02 0.00 -1.09 0.00 0.00 42.92 41.88 1oww s ASP 88 CO 0.05 -0.44 0.15 0.72 0.70 0.00 0.00 175.17 176.35 1oww s PHE 89 N -3.29 0.56 -0.05 2.11 -0.71 -0.70 -4.88 117.98 111.02 1oww s PHE 89 Ca 0.07 -0.96 0.06 0.00 -1.04 0.00 0.00 56.93 55.07 1oww s PHE 89 Cb 0.03 -0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 41.57 1oww s PHE 89 CO -0.05 -0.59 -0.22 0.99 -1.34 0.00 0.00 175.22 174.01 1oww s THR 90 N -3.98 2.32 -0.24 -4.49 2.01 -1.26 -1.08 115.64 108.92 1oww s THR 90 Ca 0.17 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1oww s THR 90 Cb 0.06 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.74 1oww s THR 90 CO -0.02 0.58 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.52 1oww s THR 91 N -0.42 2.78 -0.06 -0.82 2.01 -1.06 -4.98 115.64 113.08 1oww s THR 91 Ca 0.04 -1.02 -0.23 0.00 0.31 0.00 0.00 61.69 60.80 1oww s THR 91 Cb -0.12 -2.40 0.05 0.00 0.01 0.00 0.00 72.50 70.05 1oww s THR 91 CO 0.01 0.23 0.52 0.28 -0.69 0.00 0.00 174.62 174.98 1oww s THR 92 N 1.32 0.02 -2.93 -0.82 -1.32 -1.15 -1.54 115.64 109.21 1oww s THR 92 Ca 0.00 -0.18 0.25 0.00 -1.21 0.00 0.00 61.69 60.55 1oww s THR 92 Cb -0.16 -0.82 0.24 0.00 -1.51 0.00 0.00 72.50 70.25 1oww s THR 92 CO -0.05 -0.10 1.33 -1.20 -2.21 0.00 0.00 174.62 172.39