#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oww n GLY 2 N 0.00 1.12 3.73 0.46 0.00 -1.26 -5.15 105.19 104.09 1oww n GLY 2 Ca 0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1oww n GLY 2 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1oww n PRO 3 N -0.52 1.74 -1.92 1.61 -0.02 -1.26 -4.95 135.00 129.68 1oww n PRO 3 Ca 0.00 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 1oww n PRO 3 Cb 0.00 -2.53 0.01 0.00 -0.02 0.00 0.00 33.50 30.96 1oww n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oww s VAL 4 N -1.28 4.57 -0.43 -1.45 1.01 -1.26 -5.00 120.40 116.56 1oww s VAL 4 Ca 0.69 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 1oww s VAL 4 Cb -0.43 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.24 1oww s VAL 4 CO 0.51 -1.02 0.29 -1.61 0.00 0.00 0.00 175.10 173.27 1oww s GLU 5 N -4.95 2.78 0.00 2.72 2.02 -1.26 -4.98 118.70 115.03 1oww s GLU 5 Ca 0.56 -1.33 0.04 0.00 0.02 0.00 0.00 54.97 54.27 1oww s GLU 5 Cb -0.11 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.22 1oww s GLU 5 CO 0.50 -0.91 -0.13 0.54 0.02 0.00 0.00 175.26 175.28 1oww s VAL 6 N 1.53 1.01 -0.04 2.63 0.11 -1.26 -1.65 120.40 122.72 1oww s VAL 6 Ca 0.03 -0.66 -0.21 0.00 -2.93 0.00 0.00 61.98 58.21 1oww s VAL 6 Cb -0.22 -0.87 0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1oww s VAL 6 CO 0.05 0.20 0.47 0.72 -3.33 0.00 0.00 175.10 173.20 1oww s PHE 7 N -0.45 -0.40 -0.24 1.54 -0.12 -0.97 -5.04 117.98 112.30 1oww s PHE 7 Ca 0.04 0.69 -0.06 0.00 -0.05 0.00 0.00 56.93 57.55 1oww s PHE 7 Cb -0.06 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 1oww s PHE 7 CO -0.00 -0.47 0.02 0.42 -0.05 0.00 0.00 175.22 175.14 1oww s ILE 8 N -1.15 3.84 0.37 -4.49 1.01 -1.26 -1.96 121.20 117.55 1oww s ILE 8 Ca -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1oww s ILE 8 Cb -0.03 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.66 1oww s ILE 8 CO 0.06 0.37 0.06 0.35 0.00 0.00 0.00 174.94 175.78 1oww n THR 9 N 4.86 0.00 -1.92 2.92 -2.24 -1.18 -4.81 114.28 111.91 1oww n THR 9 Ca -0.17 -1.66 -0.20 0.00 -2.27 0.00 0.00 64.05 59.74 1oww n THR 9 Cb 0.51 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1oww n THR 9 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1oww n GLU 10 N -1.00 -1.51 -3.86 -0.78 2.13 -1.26 -4.40 120.64 109.95 1oww n GLU 10 Ca -0.12 1.13 -0.30 0.00 0.66 0.00 0.00 57.16 58.53 1oww n GLU 10 Cb 0.45 -5.61 -0.14 0.00 0.27 0.00 0.00 31.44 26.41 1oww n GLU 10 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1oww s THR 11 N -2.87 1.84 0.02 6.31 -1.32 -1.26 -4.90 115.64 113.46 1oww s THR 11 Ca 0.00 -2.48 0.12 0.00 -1.21 0.00 0.00 61.69 58.12 1oww s THR 11 Cb 0.00 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.63 1oww s THR 11 CO 0.00 -0.75 1.43 1.55 -2.21 0.00 0.00 174.62 174.64 1oww h PRO 12 N 7.16 0.00 0.00 7.08 0.13 -2.00 -3.45 132.00 140.92 1oww h PRO 12 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1oww h PRO 12 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1oww h PRO 12 CO 0.54 0.68 0.00 -1.13 -0.23 0.00 0.00 178.00 177.87 1oww n SER 13 N -3.36 0.00 -3.43 1.44 3.41 -1.26 -5.14 113.62 105.28 1oww n SER 13 Ca 0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.44 1oww n SER 13 Cb 0.77 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.62 1oww n SER 13 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1oww s GLN 14 N 0.00 0.28 0.00 4.33 -0.21 -1.26 -5.01 119.66 117.78 1oww s GLN 14 Ca 0.00 -0.02 0.28 0.00 0.02 0.00 0.00 55.36 55.64 1oww s GLN 14 Cb 0.00 -0.83 1.09 0.00 1.00 0.00 0.00 33.01 34.26 1oww s GLN 14 CO 0.00 -0.90 1.81 -0.35 -2.12 0.00 0.00 175.29 173.73 1oww n PRO 15 N 5.31 0.16 -0.08 2.91 -0.04 -1.26 -4.05 135.00 137.95 1oww n PRO 15 Ca -0.03 -0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1oww n PRO 15 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 1oww n PRO 15 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1oww n ASN 16 N -1.39 2.44 -4.52 3.54 0.23 -1.26 -3.96 115.26 110.34 1oww n ASN 16 Ca 0.09 -0.02 -0.25 0.00 -0.53 0.00 0.00 54.58 53.86 1oww n ASN 16 Cb 0.32 -0.30 -0.10 0.00 -2.08 0.00 0.00 39.78 37.62 1oww n ASN 16 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1oww s SER 17 N -5.75 3.92 -0.30 0.53 0.15 -1.26 -1.78 113.70 109.22 1oww s SER 17 Ca -0.22 -0.79 -0.00 0.00 0.70 0.00 0.00 55.95 55.64 1oww s SER 17 Cb 0.06 -0.51 0.14 0.00 -1.71 0.00 0.00 66.02 64.00 1oww s SER 17 CO 0.35 0.07 0.30 -1.00 1.20 0.00 0.00 173.24 174.16 1oww s HIS 18 N -2.04 -0.41 -0.70 3.44 3.76 -0.59 -4.65 115.29 114.11 1oww s HIS 18 Ca 0.27 -0.29 -0.27 0.00 -0.15 0.00 0.00 55.06 54.61 1oww s HIS 18 Cb -0.07 -0.47 0.01 0.00 1.11 0.00 0.00 32.58 33.16 1oww s HIS 18 CO 0.15 -0.93 1.47 -1.25 -0.85 0.00 0.00 174.74 173.34 1oww s PRO 19 N 2.22 3.00 0.23 8.40 0.04 -1.26 -2.03 135.00 145.60 1oww s PRO 19 Ca 0.10 0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 1oww s PRO 19 Cb -0.14 -4.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.08 1oww s PRO 19 CO -0.29 -2.34 0.57 -1.50 0.04 0.00 0.00 177.00 173.47 1oww s ILE 20 N 6.85 4.90 0.02 0.56 2.07 -0.30 -3.11 121.20 132.20 1oww s ILE 20 Ca 0.46 0.56 -0.02 0.00 -1.41 0.00 0.00 60.65 60.24 1oww s ILE 20 Cb -0.10 -3.63 -0.02 0.00 0.13 0.00 0.00 42.46 38.85 1oww s ILE 20 CO 0.17 -0.05 0.01 -1.10 -1.91 0.00 0.00 174.94 172.06 1oww s GLN 21 N -2.73 0.38 0.05 3.50 -0.21 -0.83 -1.40 119.66 118.41 1oww s GLN 21 Ca 0.47 -0.63 -0.00 0.00 0.02 0.00 0.00 55.36 55.22 1oww s GLN 21 Cb -0.12 0.14 -0.03 0.00 1.00 0.00 0.00 33.01 34.00 1oww s GLN 21 CO 0.21 -0.07 -0.04 1.67 -2.12 0.00 0.00 175.29 174.93 1oww s TRP 22 N -1.71 0.53 0.26 0.91 -2.14 -0.69 -2.30 118.94 113.80 1oww s TRP 22 Ca -0.13 -0.87 0.01 0.00 2.66 0.00 0.00 56.10 57.77 1oww s TRP 22 Cb -0.08 -0.36 0.05 0.00 -3.10 0.00 0.00 33.47 29.98 1oww s TRP 22 CO -0.01 -0.27 0.36 -1.71 -2.66 0.00 0.00 176.95 172.65 1oww n ASN 23 N 0.55 0.58 -3.90 -2.66 5.15 -0.66 -4.81 115.26 109.51 1oww n ASN 23 Ca -0.17 -1.47 -0.08 0.00 -0.60 0.00 0.00 54.58 52.26 1oww n ASN 23 Cb 0.59 -0.22 -0.04 0.00 -0.53 0.00 0.00 39.78 39.58 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 -2.74 -0.77 1.05 5.20 0.00 -1.26 -4.65 121.76 118.59 1oww s ALA 24 Ca 0.24 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 1oww s ALA 24 Cb -0.02 0.94 0.22 0.00 0.00 0.00 0.00 23.12 24.27 1oww s ALA 24 CO 0.16 -0.93 1.07 -2.14 0.00 0.00 0.00 175.76 173.92 1oww s PRO 25 N -3.95 -0.01 -0.02 0.00 0.02 -1.26 -5.00 135.00 124.78 1oww s PRO 25 Ca 0.16 0.86 -0.19 0.00 0.02 0.00 0.00 61.00 61.84 1oww s PRO 25 Cb -0.03 -1.66 -0.33 0.00 0.02 0.00 0.00 34.50 32.50 1oww s PRO 25 CO 0.06 -3.12 0.94 0.37 -0.33 0.00 0.00 177.00 174.92 1oww h GLN 26 N -2.19 0.40 -7.15 5.54 5.75 -2.02 -3.46 115.11 111.98 1oww h GLN 26 Ca -0.56 -0.69 -0.52 0.00 -0.15 0.00 0.00 58.65 56.74 1oww h GLN 26 Cb 1.32 0.26 0.11 0.00 1.07 0.00 0.00 27.48 30.23 1oww h GLN 26 CO 0.51 1.33 0.41 -2.14 -2.65 0.00 0.00 178.83 176.30 1oww s PRO 27 N -2.50 2.77 -1.00 -2.39 0.02 -1.26 -4.93 135.00 125.71 1oww s PRO 27 Ca -0.12 1.63 -0.01 0.00 0.02 0.00 0.00 61.00 62.52 1oww s PRO 27 Cb 0.02 -1.92 0.32 0.00 0.02 0.00 0.00 34.50 32.93 1oww s PRO 27 CO 0.88 -1.32 1.90 -1.13 -0.33 0.00 0.00 177.00 176.99 1oww n SER 28 N -2.10 7.42 -0.35 2.53 3.41 -1.26 -4.27 113.62 118.99 1oww n SER 28 Ca 0.12 -3.70 0.08 0.00 -0.26 0.00 0.00 58.87 55.11 1oww n SER 28 Cb 0.51 -1.16 -0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1oww n SER 28 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1oww n HIS 29 N -0.08 0.00 -4.10 7.33 -0.00 -1.26 -4.89 115.22 112.22 1oww n HIS 29 Ca 0.49 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.86 1oww n HIS 29 Cb 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.14 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 -1.84 4.49 0.00 3.57 1.01 -1.26 -2.01 121.20 125.16 1oww s ILE 30 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1oww s ILE 30 Cb 0.13 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1oww s ILE 30 CO 0.39 0.46 0.00 -1.54 0.00 0.00 0.00 174.94 174.25 1oww n SER 31 N 3.65 0.00 -4.95 3.58 3.41 -0.25 -4.89 113.62 114.17 1oww n SER 31 Ca -0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.21 1oww n SER 31 Cb 0.52 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1oww s LYS 32 N 0.00 2.52 -0.02 4.33 1.02 -1.15 -3.75 119.74 122.69 1oww s LYS 32 Ca 0.00 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1oww s LYS 32 Cb 0.00 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1oww s LYS 32 CO 0.00 -0.85 -0.13 0.71 -0.92 0.00 0.00 175.35 174.16 1oww s TYR 33 N -2.94 1.21 -0.12 3.18 2.02 -0.97 -1.67 117.35 118.07 1oww s TYR 33 Ca 0.57 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 1oww s TYR 33 Cb -0.10 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1oww s TYR 33 CO 0.41 -0.06 -0.15 0.42 -1.57 0.00 0.00 175.55 174.61 1oww s ILE 34 N -0.14 2.92 -0.15 2.71 1.01 0.12 -1.08 121.20 126.58 1oww s ILE 34 Ca 0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1oww s ILE 34 Cb -0.07 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1oww s ILE 34 CO 0.00 0.53 -0.06 -0.76 0.00 0.00 0.00 174.94 174.65 1oww s LEU 35 N 0.28 3.12 0.09 2.97 1.43 -0.91 -1.15 118.68 124.51 1oww s LEU 35 Ca -0.11 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1oww s LEU 35 Cb -0.16 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1oww s LEU 35 CO 0.06 0.17 -0.11 0.00 0.23 0.00 0.00 176.35 176.70 1oww s ARG 36 N 0.36 0.84 -0.16 1.70 1.70 -0.44 -1.07 118.95 121.88 1oww s ARG 36 Ca -0.06 -1.12 -0.20 0.00 -0.47 0.00 0.00 55.73 53.88 1oww s ARG 36 Cb -0.15 -0.58 0.05 0.00 -0.57 0.00 0.00 34.95 33.70 1oww s ARG 36 CO 0.04 0.10 0.54 1.67 -1.08 0.00 0.00 175.30 176.56 1oww s TRP 37 N -2.25 -0.56 0.00 5.89 -2.14 -0.83 -1.18 118.94 117.88 1oww s TRP 37 Ca 0.04 1.29 0.00 0.00 2.66 0.00 0.00 56.10 60.09 1oww s TRP 37 Cb -0.04 0.22 -0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1oww s TRP 37 CO 0.01 -0.34 -0.01 0.50 -2.66 0.00 0.00 176.95 174.44 1oww s ARG 38 N -0.09 0.07 -0.12 3.25 3.52 -0.68 -2.25 118.95 122.66 1oww s ARG 38 Ca -0.03 -0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 1oww s ARG 38 Cb -0.03 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1oww s ARG 38 CO 0.02 0.01 1.41 -1.25 -0.81 0.00 0.00 175.30 174.68 1oww s PRO 39 N -0.14 4.22 -1.02 5.12 0.04 -1.26 -1.26 135.00 140.69 1oww s PRO 39 Ca -0.01 1.86 -0.24 0.00 0.04 0.00 0.00 61.00 62.65 1oww s PRO 39 Cb -0.01 -3.84 -0.09 0.00 0.04 0.00 0.00 34.50 30.60 1oww s PRO 39 CO -0.00 -0.75 2.00 0.21 0.04 0.00 0.00 177.00 178.50 1oww s LYS 40 N 3.66 2.32 0.00 4.56 2.20 -0.56 -3.81 119.74 128.10 1oww s LYS 40 Ca 0.62 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1oww s LYS 40 Cb -0.26 -5.10 0.00 0.00 -1.51 0.00 0.00 37.83 30.96 1oww s LYS 40 CO 0.20 -3.92 0.00 0.09 -0.36 0.00 0.00 175.35 171.36 1oww n ASN 41 N 15.10 0.00 -4.92 1.43 4.13 -1.26 -4.79 115.26 124.96 1oww n ASN 41 Ca 0.43 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.48 1oww n ASN 41 Cb 0.46 0.20 -0.01 0.00 -1.54 0.00 0.00 39.78 38.90 1oww n ASN 41 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1oww s SER 42 N -1.44 5.09 -0.55 6.41 1.04 -1.25 -5.05 113.70 117.95 1oww s SER 42 Ca 0.00 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1oww s SER 42 Cb 0.00 -0.35 0.39 0.00 0.10 0.00 0.00 66.02 66.16 1oww s SER 42 CO 0.00 -0.80 1.25 1.33 0.98 0.00 0.00 173.24 175.99 1oww n VAL 43 N -1.70 2.84 0.00 5.02 0.24 -1.26 -4.82 118.33 118.66 1oww n VAL 43 Ca 0.05 -5.01 0.00 0.00 -2.04 0.00 0.00 64.34 57.34 1oww n VAL 43 Cb 0.62 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 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 -0.43 0.54 3.87 7.63 0.00 -1.26 -5.08 105.19 110.46 1oww n GLY 44 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 1oww n GLY 44 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1oww s ARG 45 N 3.55 3.59 0.23 1.61 1.70 -1.26 -5.07 118.95 123.30 1oww s ARG 45 Ca 0.00 0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 55.77 1oww s ARG 45 Cb 0.00 -2.08 0.04 0.00 -0.57 0.00 0.00 34.95 32.33 1oww s ARG 45 CO 0.00 -0.57 0.81 1.67 -1.08 0.00 0.00 175.30 176.13 1oww s TRP 46 N -3.18 -0.17 0.19 5.89 1.48 -1.26 -4.81 118.94 117.09 1oww s TRP 46 Ca 0.55 -0.23 0.08 0.00 -1.06 0.00 0.00 56.10 55.44 1oww s TRP 46 Cb -0.11 0.68 -0.04 0.00 -1.16 0.00 0.00 33.47 32.84 1oww s TRP 46 CO 0.54 -1.08 0.01 0.15 -4.06 0.00 0.00 176.95 172.50 1oww s LYS 47 N -3.68 2.40 0.12 3.25 1.02 -0.95 -5.03 119.74 116.87 1oww s LYS 47 Ca 0.11 -1.16 -0.14 0.00 0.02 0.00 0.00 55.97 54.80 1oww s LYS 47 Cb -0.04 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1oww s LYS 47 CO 0.05 0.44 0.36 -1.83 -0.92 0.00 0.00 175.35 173.44 1oww s GLU 48 N -3.12 1.03 0.07 1.68 -1.05 -1.26 -1.96 118.70 114.09 1oww s GLU 48 Ca 0.28 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1oww s GLU 48 Cb -0.09 0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 1oww s GLU 48 CO 0.19 -0.39 -0.05 0.00 0.95 0.00 0.00 175.26 175.96 1oww s ALA 49 N -3.82 0.74 -0.13 -0.84 0.00 -0.23 -5.00 121.76 112.48 1oww s ALA 49 Ca 0.04 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1oww s ALA 49 Cb 0.02 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1oww s ALA 49 CO -0.12 -0.29 -0.22 0.99 0.00 0.00 0.00 175.76 176.13 1oww s THR 50 N -3.64 2.02 -0.08 0.00 2.01 -1.26 -2.15 115.64 112.54 1oww s THR 50 Ca 0.08 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1oww s THR 50 Cb 0.06 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1oww s THR 50 CO -0.07 0.54 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.62 1oww s ILE 51 N 0.75 2.95 1.04 1.82 1.09 -0.25 -5.02 121.20 123.59 1oww s ILE 51 Ca -0.09 -0.74 -0.12 0.00 -1.10 0.00 0.00 60.65 58.60 1oww s ILE 51 Cb -0.16 -2.18 0.21 0.00 -1.06 0.00 0.00 42.46 39.28 1oww s ILE 51 CO -0.00 0.57 1.07 -2.84 -0.10 0.00 0.00 174.94 173.64 1oww s PRO 52 N -0.30 0.08 0.44 2.79 0.02 -1.26 -2.28 135.00 134.48 1oww s PRO 52 Ca 0.02 0.90 0.26 0.00 0.02 0.00 0.00 61.00 62.20 1oww s PRO 52 Cb -0.13 -1.67 0.68 0.00 0.02 0.00 0.00 34.50 33.41 1oww s PRO 52 CO 0.03 -3.07 1.73 0.78 -0.33 0.00 0.00 177.00 176.13 1oww h GLY 53 N -2.16 0.00 1.68 0.52 0.00 -1.91 -3.13 103.07 98.07 1oww h GLY 53 Ca -0.55 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.62 1oww h GLY 53 CO 0.51 0.00 -0.94 1.12 0.00 0.00 0.00 176.54 177.23 1oww h HIS 54 N 0.00 0.00 -3.32 5.60 2.07 -1.93 -3.44 115.15 114.14 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 0.82 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.74 1oww h HIS 54 CO 0.00 0.68 -0.01 -0.51 -3.07 0.00 0.00 177.93 175.02 1oww s LEU 55 N -6.33 4.37 -0.06 6.12 1.43 -1.18 -4.94 118.68 118.08 1oww s LEU 55 Ca 0.01 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.30 1oww s LEU 55 Cb 0.08 -2.92 0.14 0.00 0.03 0.00 0.00 46.19 43.52 1oww s LEU 55 CO 0.79 0.03 1.05 -0.46 0.23 0.00 0.00 176.35 177.99 1oww n ASN 56 N 3.14 2.03 -3.90 2.29 0.23 -1.26 -4.70 115.26 113.08 1oww n ASN 56 Ca -0.06 -2.48 -0.10 0.00 -0.53 0.00 0.00 54.58 51.42 1oww n ASN 56 Cb 0.51 -0.21 -0.09 0.00 -2.08 0.00 0.00 39.78 37.92 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 -1.84 0.14 0.08 0.53 1.04 -1.26 -1.70 113.70 110.68 1oww s SER 57 Ca 0.15 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 1oww s SER 57 Cb 0.13 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1oww s SER 57 CO 0.01 -0.55 0.31 -0.47 0.98 0.00 0.00 173.24 173.53 1oww s TYR 58 N -2.75 -0.09 -0.32 5.02 5.04 -0.50 -5.00 117.35 118.75 1oww s TYR 58 Ca -0.04 -0.17 -0.07 0.00 -2.44 0.00 0.00 57.07 54.35 1oww s TYR 58 Cb -0.00 0.12 0.02 0.00 0.35 0.00 0.00 41.96 42.45 1oww s TYR 58 CO -0.05 -0.58 0.10 0.99 -1.34 0.00 0.00 175.55 174.66 1oww s THR 59 N -3.27 3.90 -0.80 4.34 2.01 -1.26 -1.15 115.64 119.41 1oww s THR 59 Ca -0.00 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.94 1oww s THR 59 Cb 0.01 -3.11 0.18 0.00 0.01 0.00 0.00 72.50 69.60 1oww s THR 59 CO -0.08 -0.05 0.82 -0.63 -0.69 0.00 0.00 174.62 173.99 1oww s ILE 60 N 1.46 5.31 0.26 1.82 1.01 -0.86 -4.97 121.20 125.23 1oww s ILE 60 Ca 0.01 -2.05 0.07 0.00 0.00 0.00 0.00 60.65 58.67 1oww s ILE 60 Cb -0.18 -4.53 -0.03 0.00 0.01 0.00 0.00 42.46 37.72 1oww s ILE 60 CO 0.03 -1.13 0.23 -1.59 0.00 0.00 0.00 174.94 172.47 1oww s LYS 61 N 1.08 2.96 0.00 2.79 0.00 -1.26 -1.54 119.74 123.77 1oww s LYS 61 Ca 0.19 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 55.12 1oww s LYS 61 Cb -0.12 -2.59 0.00 0.00 0.00 0.00 0.00 37.83 35.12 1oww s LYS 61 CO -0.07 0.37 0.00 0.41 0.00 0.00 0.00 175.35 176.07 1oww n GLY 62 N -1.23 0.59 3.57 0.59 0.00 -0.96 -4.99 105.19 102.77 1oww n GLY 62 Ca -0.07 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.29 2.95 0.25 0.99 1.43 -0.73 -5.07 118.68 117.20 1oww s LEU 63 Ca 0.00 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1oww s LEU 63 Cb 0.00 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1oww s LEU 63 CO 0.00 0.04 0.46 -0.54 0.23 0.00 0.00 176.35 176.54 1oww s LYS 64 N -3.40 3.54 0.67 1.70 1.02 -1.26 -4.43 119.74 117.58 1oww s LYS 64 Ca 0.29 -0.27 -0.11 0.00 0.02 0.00 0.00 55.97 55.90 1oww s LYS 64 Cb -0.07 -2.76 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1oww s LYS 64 CO 0.17 0.31 1.06 -1.25 -0.92 0.00 0.00 175.35 174.72 1oww s PRO 65 N -3.57 3.13 -1.85 -1.68 0.04 -1.25 -4.50 135.00 125.31 1oww s PRO 65 Ca 0.40 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1oww s PRO 65 Cb -0.11 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1oww s PRO 65 CO 0.30 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.91 1oww n GLY 66 N -2.89 0.33 3.11 0.56 0.00 -0.81 -4.89 105.19 100.61 1oww n GLY 66 Ca 0.06 -0.04 -0.19 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 -2.92 0.96 -0.15 1.61 0.11 -0.72 -4.95 120.40 114.35 1oww s VAL 67 Ca 0.00 -0.92 -0.20 0.00 -2.93 0.00 0.00 61.98 57.93 1oww s VAL 67 Cb 0.00 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1oww s VAL 67 CO 0.00 -0.03 0.55 0.54 -3.33 0.00 0.00 175.10 172.83 1oww s VAL 68 N -0.84 5.11 0.05 2.04 0.11 -1.26 -1.83 120.40 123.78 1oww s VAL 68 Ca 0.00 1.08 0.03 0.00 -2.93 0.00 0.00 61.98 60.15 1oww s VAL 68 Cb -0.07 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 1oww s VAL 68 CO 0.01 0.24 0.03 -0.31 -3.33 0.00 0.00 175.10 171.73 1oww s TYR 69 N 1.15 3.09 0.03 1.54 2.02 -0.72 -1.50 117.35 122.95 1oww s TYR 69 Ca 0.28 0.05 -0.09 0.00 -0.37 0.00 0.00 57.07 56.94 1oww s TYR 69 Cb -0.16 -1.62 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 1oww s TYR 69 CO 0.11 0.49 0.33 -1.83 -1.57 0.00 0.00 175.55 173.08 1oww s GLU 70 N -2.02 3.68 0.09 -0.62 -1.05 -0.39 -1.84 118.70 116.56 1oww s GLU 70 Ca 0.24 0.08 0.03 0.00 -0.15 0.00 0.00 54.97 55.17 1oww s GLU 70 Cb -0.12 -3.07 -0.04 0.00 -0.44 0.00 0.00 34.13 30.47 1oww s GLU 70 CO 0.16 0.63 -0.10 0.20 0.95 0.00 0.00 175.26 177.10 1oww s GLY 71 N -1.61 0.81 -0.05 -3.83 0.00 -0.91 -1.68 107.32 100.06 1oww s GLY 71 Ca 0.28 -1.16 -0.04 0.00 0.00 0.00 0.00 44.72 43.81 1oww s GLY 71 CO 0.16 -1.23 0.12 1.20 0.00 0.00 0.00 173.10 173.34 1oww s GLN 72 N -2.75 0.12 -0.37 2.90 -0.21 -0.33 -2.02 119.66 117.01 1oww s GLN 72 Ca 0.04 0.19 -0.02 0.00 0.02 0.00 0.00 55.36 55.59 1oww s GLN 72 Cb -0.03 0.02 0.09 0.00 1.00 0.00 0.00 33.01 34.09 1oww s GLN 72 CO -0.00 -0.04 0.13 -1.17 -2.12 0.00 0.00 175.29 172.08 1oww s LEU 73 N 0.25 4.75 -0.20 2.90 2.96 -0.63 -1.33 118.68 127.38 1oww s LEU 73 Ca -0.02 -1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 52.03 1oww s LEU 73 Cb -0.03 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1oww s LEU 73 CO -0.01 -0.43 0.22 -0.63 -1.32 0.00 0.00 176.35 174.17 1oww s ILE 74 N 1.18 5.34 -0.29 6.68 1.01 -0.30 -1.59 121.20 133.24 1oww s ILE 74 Ca 0.04 0.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 1oww s ILE 74 Cb -0.21 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1oww s ILE 74 CO -0.03 0.38 0.02 -0.44 0.00 0.00 0.00 174.94 174.88 1oww s SER 75 N 0.62 4.87 0.03 3.58 0.01 0.09 -0.70 113.70 122.21 1oww s SER 75 Ca 0.12 -1.02 -0.21 0.00 1.31 0.00 0.00 55.95 56.15 1oww s SER 75 Cb -0.13 -1.77 -0.06 0.00 0.21 0.00 0.00 66.02 64.28 1oww s SER 75 CO 0.02 -0.22 0.63 -0.63 0.41 0.00 0.00 173.24 173.45 1oww s ILE 76 N 1.36 4.80 -0.01 1.44 1.09 -0.67 -1.14 121.20 128.07 1oww s ILE 76 Ca -0.01 1.34 -0.11 0.00 -1.10 0.00 0.00 60.65 60.77 1oww s ILE 76 Cb -0.18 -3.97 -0.05 0.00 -1.06 0.00 0.00 42.46 37.19 1oww s ILE 76 CO -0.00 0.45 0.32 -1.10 -0.10 0.00 0.00 174.94 174.50 1oww s GLN 77 N -0.44 3.71 -0.16 2.79 -0.21 -0.60 -1.09 119.66 123.67 1oww s GLN 77 Ca 0.32 0.15 -0.29 0.00 0.02 0.00 0.00 55.36 55.56 1oww s GLN 77 Cb -0.19 -3.15 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 1oww s GLN 77 CO 0.19 0.68 1.61 -1.14 -2.12 0.00 0.00 175.29 174.52 1oww s GLN 78 N -1.33 3.95 -1.32 2.91 2.00 -0.85 -2.98 119.66 122.04 1oww s GLN 78 Ca 0.24 1.85 -0.05 0.00 -2.00 0.00 0.00 55.36 55.40 1oww s GLN 78 Cb -0.14 -4.00 0.01 0.00 0.80 0.00 0.00 33.01 29.68 1oww s GLN 78 CO 0.12 -1.10 1.01 0.66 -0.50 0.00 0.00 175.29 175.48 1oww n TYR 79 N 7.90 -2.39 0.00 1.67 4.01 -1.26 -4.84 117.16 122.24 1oww n TYR 79 Ca 0.18 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.87 1oww n TYR 79 Cb 0.44 -4.81 0.00 0.00 -0.31 0.00 0.00 39.34 34.66 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 -1.57 0.35 0.66 2.72 0.00 -1.16 -5.17 105.19 101.02 1oww n GLY 80 Ca -0.15 0.49 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.82 -3.81 1.61 8.25 -1.26 -4.85 115.22 111.34 1oww n HIS 81 Ca 0.00 -0.23 -0.12 0.00 -0.26 0.00 0.00 57.72 57.11 1oww n HIS 81 Cb 0.00 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.84 1oww n HIS 81 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1oww s GLN 82 N -3.33 0.43 -0.01 -0.41 -2.07 -1.26 -1.56 119.66 111.44 1oww s GLN 82 Ca 0.12 -0.02 -0.02 0.00 -1.82 0.00 0.00 55.36 53.62 1oww s GLN 82 Cb -0.00 0.19 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 1oww s GLN 82 CO 0.09 -0.09 0.14 -2.00 -1.32 0.00 0.00 175.29 172.10 1oww s GLU 83 N -0.69 3.29 -0.03 9.60 2.12 -0.29 -4.94 118.70 127.76 1oww s GLU 83 Ca -0.08 -0.37 0.05 0.00 0.36 0.00 0.00 54.97 54.93 1oww s GLU 83 Cb -0.04 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.33 1oww s GLU 83 CO 0.02 0.67 -0.19 0.54 -0.54 0.00 0.00 175.26 175.76 1oww s VAL 84 N -1.25 1.54 -0.03 3.70 0.11 -1.26 -0.73 120.40 122.47 1oww s VAL 84 Ca 0.25 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.54 1oww s VAL 84 Cb -0.12 -1.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.43 1oww s VAL 84 CO 0.16 0.44 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.30 1oww s THR 85 N -0.26 1.45 0.03 5.04 2.01 -0.62 -4.52 115.64 118.77 1oww s THR 85 Ca 0.03 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1oww s THR 85 Cb -0.09 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1oww s THR 85 CO 0.01 0.41 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.61 1oww s ARG 86 N -0.15 0.95 0.32 4.92 3.52 -1.26 -1.61 118.95 125.64 1oww s ARG 86 Ca 0.00 -0.70 -0.09 0.00 -0.13 0.00 0.00 55.73 54.82 1oww s ARG 86 Cb -0.10 -0.95 0.04 0.00 -1.56 0.00 0.00 34.95 32.38 1oww s ARG 86 CO 0.01 0.24 0.58 1.97 -0.81 0.00 0.00 175.30 177.29 1oww n PHE 87 N 2.07 -1.88 -4.08 5.12 1.16 -0.86 -5.01 117.46 113.98 1oww n PHE 87 Ca -0.17 -1.68 -0.07 0.00 -1.87 0.00 0.00 57.45 53.65 1oww n PHE 87 Cb 0.55 0.68 -0.10 0.00 -1.61 0.00 0.00 39.48 39.00 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 -2.76 0.44 0.23 5.98 -4.77 -1.26 -2.13 116.67 112.40 1oww s ASP 88 Ca 0.17 -1.01 -0.08 0.00 -3.30 0.00 0.00 52.55 48.33 1oww s ASP 88 Cb -0.03 0.22 -0.02 0.00 -1.09 0.00 0.00 42.92 42.00 1oww s ASP 88 CO 0.12 -0.63 0.35 0.72 0.70 0.00 0.00 175.17 176.43 1oww s PHE 89 N -3.94 0.69 0.07 2.11 -0.71 -0.77 -4.90 117.98 110.53 1oww s PHE 89 Ca 0.09 -0.99 0.08 0.00 -1.04 0.00 0.00 56.93 55.07 1oww s PHE 89 Cb 0.08 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 1oww s PHE 89 CO -0.08 -0.87 -0.21 0.95 -1.34 0.00 0.00 175.22 173.67 1oww s THR 90 N -4.04 1.70 -0.15 -4.49 -4.23 -1.26 -1.76 115.64 101.40 1oww s THR 90 Ca 0.29 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1oww s THR 90 Cb 0.02 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 1oww s THR 90 CO 0.11 0.09 -0.04 0.42 -0.54 0.00 0.00 174.62 174.66 1oww s THR 91 N -0.96 3.89 0.72 3.99 -4.23 -0.76 -4.98 115.64 113.31 1oww s THR 91 Ca 0.07 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1oww s THR 91 Cb -0.09 -2.70 0.15 0.00 1.34 0.00 0.00 72.50 71.19 1oww s THR 91 CO 0.03 0.50 0.99 0.35 -0.54 0.00 0.00 174.62 175.94 1oww n THR 92 N 3.50 0.00 0.44 3.99 -2.24 -1.26 -1.76 114.28 116.96 1oww n THR 92 Ca -0.17 -1.41 0.05 0.00 -2.27 0.00 0.00 64.05 60.25 1oww n THR 92 Cb 0.52 -1.00 0.04 0.00 -2.10 0.00 0.00 70.33 67.79 1oww n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26