#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oww n GLY 2 N 0.00 -0.60 3.76 0.23 0.00 -1.26 -5.14 105.19 102.18 1oww n GLY 2 Ca 0.00 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 2.58 -1.86 1.61 -0.02 -1.26 -4.94 135.00 131.11 1oww n PRO 3 Ca 0.00 0.91 -0.31 0.00 -2.02 0.00 0.00 63.50 62.08 1oww n PRO 3 Cb 0.00 -2.61 0.01 0.00 -0.02 0.00 0.00 33.50 30.88 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 -1.06 4.64 -0.38 -1.45 1.01 -1.26 -5.03 120.40 116.86 1oww s VAL 4 Ca 0.54 0.86 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 1oww s VAL 4 Cb -0.49 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.11 1oww s VAL 4 CO 0.63 -1.12 0.19 -1.61 0.00 0.00 0.00 175.10 173.19 1oww s GLU 5 N -5.18 2.58 -0.02 2.72 2.02 -1.26 -4.96 118.70 114.60 1oww s GLU 5 Ca 0.55 -1.36 0.06 0.00 0.02 0.00 0.00 54.97 54.25 1oww s GLU 5 Cb -0.11 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.46 1oww s GLU 5 CO 0.54 -0.84 -0.21 0.54 0.02 0.00 0.00 175.26 175.32 1oww s VAL 6 N 1.40 1.62 0.16 2.63 0.11 -1.26 -1.09 120.40 123.97 1oww s VAL 6 Ca 0.02 -0.88 -0.07 0.00 -2.93 0.00 0.00 61.98 58.11 1oww s VAL 6 Cb -0.21 -1.35 -0.01 0.00 -1.53 0.00 0.00 36.38 33.27 1oww s VAL 6 CO 0.02 0.46 0.24 0.72 -3.33 0.00 0.00 175.10 173.21 1oww s PHE 7 N -0.49 0.48 -0.29 1.54 -0.71 -1.01 -5.03 117.98 112.48 1oww s PHE 7 Ca 0.08 -0.85 -0.05 0.00 -1.04 0.00 0.00 56.93 55.07 1oww s PHE 7 Cb -0.08 -0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.61 1oww s PHE 7 CO -0.01 -0.68 0.04 0.96 -1.34 0.00 0.00 175.22 174.20 1oww s ILE 8 N -3.98 3.62 0.39 -4.49 -4.36 -1.26 -2.77 121.20 108.35 1oww s ILE 8 Ca 0.18 -0.87 0.06 0.00 -0.26 0.00 0.00 60.65 59.76 1oww s ILE 8 Cb 0.04 -2.90 -0.07 0.00 1.25 0.00 0.00 42.46 40.78 1oww s ILE 8 CO 0.00 0.06 0.02 0.28 0.24 0.00 0.00 174.94 175.55 1oww s THR 9 N 1.43 1.77 -0.85 8.37 -1.32 -1.26 -4.82 115.64 118.96 1oww s THR 9 Ca 0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.49 1oww s THR 9 Cb -0.17 -2.91 0.00 0.00 -1.51 0.00 0.00 72.50 67.90 1oww s THR 9 CO 0.01 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 173.63 1oww n GLU 10 N -0.92 -0.98 -3.44 7.08 4.07 -1.26 -4.35 120.64 120.84 1oww n GLU 10 Ca -0.05 0.71 -0.23 0.00 -0.06 0.00 0.00 57.16 57.53 1oww n GLU 10 Cb 0.67 -4.69 -0.11 0.00 -0.06 0.00 0.00 31.44 27.25 1oww n GLU 10 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1oww s THR 11 N -2.09 -0.16 0.15 6.31 -1.32 -1.26 -4.82 115.64 112.45 1oww s THR 11 Ca 0.00 -1.03 0.02 0.00 -1.21 0.00 0.00 61.69 59.47 1oww s THR 11 Cb 0.00 -0.94 -0.18 0.00 -1.51 0.00 0.00 72.50 69.87 1oww s THR 11 CO 0.00 -0.71 1.33 1.55 -2.21 0.00 0.00 174.62 174.58 1oww h PRO 12 N 7.62 0.17 -0.60 7.08 0.13 -1.97 -3.45 132.00 140.98 1oww h PRO 12 Ca -0.04 -0.22 0.18 0.00 -0.87 0.00 0.00 66.00 65.05 1oww h PRO 12 Cb 1.03 0.07 -0.21 0.00 0.13 0.00 0.00 31.00 32.01 1oww h PRO 12 CO 0.30 1.00 -0.04 -1.54 -0.23 0.00 0.00 178.00 177.49 1oww s SER 13 N -6.93 -0.84 -0.22 1.44 1.04 -1.26 -4.81 113.70 102.12 1oww s SER 13 Ca -0.02 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 1oww s SER 13 Cb 0.10 1.70 0.11 0.00 0.10 0.00 0.00 66.02 68.03 1oww s SER 13 CO 0.83 -0.16 0.39 -1.10 0.98 0.00 0.00 173.24 174.19 1oww s GLN 14 N 2.92 0.33 0.25 4.02 -0.21 -1.26 -4.98 119.66 120.73 1oww s GLN 14 Ca 0.08 0.77 0.21 0.00 0.02 0.00 0.00 55.36 56.44 1oww s GLN 14 Cb -0.12 -0.09 0.07 0.00 1.00 0.00 0.00 33.01 33.87 1oww s GLN 14 CO -0.16 -0.46 1.20 -1.00 -2.12 0.00 0.00 175.29 172.76 1oww h PRO 15 N 8.18 0.00 0.00 2.91 0.13 -1.91 -3.39 132.00 137.92 1oww h PRO 15 Ca -0.18 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.64 1oww h PRO 15 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1oww h PRO 15 CO 0.20 0.12 -2.16 0.27 -0.23 0.00 0.00 178.00 176.20 1oww n ASN 16 N -2.90 2.30 -4.65 1.44 6.94 -1.26 -3.32 115.26 113.82 1oww n ASN 16 Ca -0.01 -0.06 -0.29 0.00 -0.02 0.00 0.00 54.58 54.20 1oww n ASN 16 Cb 0.62 -0.36 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 1oww n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1oww s SER 17 N -6.10 4.77 -0.33 0.53 1.04 -1.26 -1.58 113.70 110.77 1oww s SER 17 Ca -0.28 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1oww s SER 17 Cb 0.08 -1.05 0.14 0.00 0.10 0.00 0.00 66.02 65.29 1oww s SER 17 CO 0.46 0.16 0.25 -2.28 0.98 0.00 0.00 173.24 172.81 1oww s HIS 18 N -1.34 0.17 0.32 5.02 2.46 -0.52 -4.62 115.29 116.78 1oww s HIS 18 Ca 0.25 -1.03 -0.22 0.00 0.47 0.00 0.00 55.06 54.53 1oww s HIS 18 Cb -0.11 -0.69 -0.10 0.00 -0.13 0.00 0.00 32.58 31.55 1oww s HIS 18 CO 0.17 -0.88 0.87 -1.25 -2.47 0.00 0.00 174.74 171.17 1oww s PRO 19 N 1.58 4.37 0.39 2.88 0.04 -1.26 -2.23 135.00 140.75 1oww s PRO 19 Ca 0.15 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.33 1oww s PRO 19 Cb -0.18 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1oww s PRO 19 CO -0.13 0.23 0.06 0.96 0.04 0.00 0.00 177.00 178.16 1oww s ILE 20 N -1.75 1.13 -0.02 0.56 -4.36 -0.97 -4.02 121.20 111.77 1oww s ILE 20 Ca 0.51 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.77 1oww s ILE 20 Cb -0.15 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 40.97 1oww s ILE 20 CO 0.20 0.00 0.27 -1.58 0.24 0.00 0.00 174.94 174.08 1oww s GLN 21 N -3.82 0.61 0.18 0.37 0.74 -1.11 -1.66 119.66 114.96 1oww s GLN 21 Ca 0.28 -0.20 0.05 0.00 0.05 0.00 0.00 55.36 55.54 1oww s GLN 21 Cb 0.06 0.27 -0.05 0.00 1.10 0.00 0.00 33.01 34.39 1oww s GLN 21 CO 0.14 -0.16 -0.09 1.67 -0.55 0.00 0.00 175.29 176.30 1oww s TRP 22 N -1.25 1.42 0.42 1.67 -2.14 -0.81 -2.41 118.94 115.84 1oww s TRP 22 Ca -0.13 -0.76 0.03 0.00 2.66 0.00 0.00 56.10 57.90 1oww s TRP 22 Cb -0.06 -0.73 0.08 0.00 -3.10 0.00 0.00 33.47 29.66 1oww s TRP 22 CO 0.03 0.11 0.58 -1.71 -2.66 0.00 0.00 176.95 173.30 1oww n ASN 23 N -0.28 1.14 -3.80 -2.66 5.15 -0.25 -4.82 115.26 109.73 1oww n ASN 23 Ca -0.09 -1.88 -0.09 0.00 -0.60 0.00 0.00 54.58 51.93 1oww n ASN 23 Cb 0.61 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.49 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 -2.71 -0.92 0.90 5.20 0.00 -1.26 -4.53 121.76 118.43 1oww s ALA 24 Ca 0.41 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 1oww s ALA 24 Cb -0.03 0.90 0.13 0.00 0.00 0.00 0.00 23.12 24.12 1oww s ALA 24 CO 0.26 -0.88 1.10 -2.14 0.00 0.00 0.00 175.76 174.11 1oww s PRO 25 N -3.91 1.22 -0.11 0.00 0.02 -1.26 -5.01 135.00 125.95 1oww s PRO 25 Ca 0.12 1.19 -0.05 0.00 0.02 0.00 0.00 61.00 62.28 1oww s PRO 25 Cb -0.02 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 1oww s PRO 25 CO 0.02 -2.38 0.05 0.37 -0.33 0.00 0.00 177.00 174.73 1oww h GLN 26 N -1.67 0.00 -7.58 5.54 -0.00 -2.02 -3.48 115.11 105.91 1oww h GLN 26 Ca -0.47 0.00 -0.44 0.00 -0.00 0.00 0.00 58.65 57.74 1oww h GLN 26 Cb 1.27 0.00 0.16 0.00 0.00 0.00 0.00 27.48 28.91 1oww h GLN 26 CO 0.48 0.12 0.29 -1.25 0.00 0.00 0.00 178.83 178.47 1oww s PRO 27 N -1.76 0.14 0.00 -2.39 0.04 -1.26 -4.95 135.00 124.83 1oww s PRO 27 Ca -0.05 -0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.60 1oww s PRO 27 Cb 0.00 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 1oww s PRO 27 CO 0.12 -2.80 1.48 -1.54 0.04 0.00 0.00 177.00 174.30 1oww s SER 28 N -4.29 6.78 0.00 6.66 1.04 -1.26 -4.54 113.70 118.10 1oww s SER 28 Ca 0.70 2.19 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1oww s SER 28 Cb -0.09 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1oww s SER 28 CO 0.54 -0.78 0.00 1.57 0.98 0.00 0.00 173.24 175.55 1oww n HIS 29 N 5.62 -0.42 -4.39 5.02 -0.00 -1.26 -5.02 115.22 114.76 1oww n HIS 29 Ca 0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.67 1oww n HIS 29 Cb 0.43 0.08 -0.15 0.00 -0.00 0.00 0.00 29.99 30.36 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 -1.28 0.77 0.00 3.57 1.01 -1.26 -4.32 121.20 119.69 1oww s ILE 30 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1oww s ILE 30 Cb 0.00 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.82 1oww s ILE 30 CO 0.00 0.20 0.00 -1.54 0.00 0.00 0.00 174.94 173.60 1oww n SER 31 N 2.78 0.00 -4.92 3.58 3.41 -0.65 -4.95 113.62 112.87 1oww n SER 31 Ca -0.14 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.21 1oww n SER 31 Cb 0.57 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 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 -0.88 2.69 0.04 4.33 1.02 -0.29 -4.20 119.74 122.45 1oww s LYS 32 Ca 0.00 -0.12 0.03 0.00 0.02 0.00 0.00 55.97 55.90 1oww s LYS 32 Cb 0.00 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1oww s LYS 32 CO 0.00 -0.86 -0.09 0.71 -0.92 0.00 0.00 175.35 174.19 1oww s TYR 33 N -3.05 0.82 -0.02 3.18 2.02 -0.98 -1.95 117.35 117.36 1oww s TYR 33 Ca 0.56 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.89 1oww s TYR 33 Cb -0.11 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 40.96 1oww s TYR 33 CO 0.45 -0.04 -0.21 0.42 -1.57 0.00 0.00 175.55 174.60 1oww s ILE 34 N -1.18 1.69 -0.08 2.71 1.01 0.48 -0.72 121.20 125.11 1oww s ILE 34 Ca -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.71 1oww s ILE 34 Cb -0.09 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1oww s ILE 34 CO 0.01 0.48 -0.17 -0.76 0.00 0.00 0.00 174.94 174.49 1oww s LEU 35 N -0.45 2.51 0.15 2.97 1.43 -0.85 -1.60 118.68 122.83 1oww s LEU 35 Ca 0.07 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1oww s LEU 35 Cb -0.09 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1oww s LEU 35 CO -0.00 0.26 -0.01 -0.13 0.23 0.00 0.00 176.35 176.69 1oww s ARG 36 N -0.21 2.41 -0.08 1.70 3.00 0.39 -0.75 118.95 125.40 1oww s ARG 36 Ca -0.00 -1.04 -0.20 0.00 0.00 0.00 0.00 55.73 54.48 1oww s ARG 36 Cb -0.13 -2.39 0.05 0.00 0.00 0.00 0.00 34.95 32.47 1oww s ARG 36 CO 0.03 0.48 0.48 1.67 0.00 0.00 0.00 175.30 177.97 1oww s TRP 37 N -1.58 -0.45 -0.01 -0.53 -2.14 -0.78 -1.62 118.94 111.84 1oww s TRP 37 Ca 0.26 0.89 -0.03 0.00 2.66 0.00 0.00 56.10 59.89 1oww s TRP 37 Cb -0.10 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.49 1oww s TRP 37 CO 0.18 -0.41 0.06 0.50 -2.66 0.00 0.00 176.95 174.62 1oww s ARG 38 N -0.74 0.20 -0.24 3.25 3.52 -0.59 -2.05 118.95 122.31 1oww s ARG 38 Ca -0.08 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 1oww s ARG 38 Cb -0.03 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.42 1oww s ARG 38 CO 0.05 -0.04 1.52 -1.25 -0.81 0.00 0.00 175.30 174.77 1oww s PRO 39 N -0.53 3.85 -1.10 5.12 0.04 -1.26 -1.08 135.00 140.03 1oww s PRO 39 Ca -0.06 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 1oww s PRO 39 Cb -0.04 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 30.42 1oww s PRO 39 CO 0.00 -1.22 1.92 1.17 0.04 0.00 0.00 177.00 178.92 1oww n LYS 40 N 7.52 1.65 0.00 4.56 4.81 -0.53 -3.72 118.16 132.45 1oww n LYS 40 Ca 0.17 -2.37 0.00 0.00 -0.87 0.00 0.00 58.31 55.24 1oww n LYS 40 Cb 0.45 -3.55 0.00 0.00 0.02 0.00 0.00 35.03 31.96 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 12.68 0.00 -4.98 3.14 3.02 -1.26 -4.80 115.26 123.05 1oww n ASN 41 Ca 0.46 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.81 1oww n ASN 41 Cb 0.45 0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.84 1oww n ASN 41 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1oww s SER 42 N -0.99 5.59 -0.47 6.41 0.01 -1.24 -5.06 113.70 117.95 1oww s SER 42 Ca 0.00 -0.13 0.08 0.00 1.31 0.00 0.00 55.95 57.22 1oww s SER 42 Cb 0.00 -0.96 0.32 0.00 0.21 0.00 0.00 66.02 65.59 1oww s SER 42 CO 0.00 -0.84 0.78 1.33 0.41 0.00 0.00 173.24 174.92 1oww n VAL 43 N -2.03 1.17 0.00 3.43 0.24 -1.26 -4.85 118.33 115.03 1oww n VAL 43 Ca 0.06 -4.94 0.00 0.00 -2.04 0.00 0.00 64.34 57.42 1oww n VAL 43 Cb 0.59 -1.06 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 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 0.29 0.76 3.94 7.63 0.00 -1.26 -5.09 105.19 111.45 1oww n GLY 44 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 1.35 2.38 0.28 1.61 0.52 -1.26 -5.15 118.95 118.68 1oww s ARG 45 Ca 0.00 -1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 53.36 1oww s ARG 45 Cb 0.00 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1oww s ARG 45 CO 0.00 -0.54 0.51 1.67 0.02 0.00 0.00 175.30 176.96 1oww s TRP 46 N -2.64 0.47 0.16 -0.53 1.48 -1.26 -4.92 118.94 111.70 1oww s TRP 46 Ca 0.46 -0.84 0.06 0.00 -1.06 0.00 0.00 56.10 54.72 1oww s TRP 46 Cb -0.04 0.21 -0.04 0.00 -1.16 0.00 0.00 33.47 32.44 1oww s TRP 46 CO 0.28 -1.09 0.07 0.15 -4.06 0.00 0.00 176.95 172.30 1oww s LYS 47 N -3.64 2.67 0.02 3.25 1.02 -0.87 -5.02 119.74 117.16 1oww s LYS 47 Ca 0.23 -0.95 -0.18 0.00 0.02 0.00 0.00 55.97 55.09 1oww s LYS 47 Cb -0.01 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1oww s LYS 47 CO 0.12 0.48 0.39 -1.83 -0.92 0.00 0.00 175.35 173.58 1oww s GLU 48 N -2.94 0.84 0.09 1.68 -1.05 -1.26 -1.86 118.70 114.21 1oww s GLU 48 Ca 0.29 -0.29 -0.08 0.00 -0.15 0.00 0.00 54.97 54.74 1oww s GLU 48 Cb -0.10 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 1oww s GLU 48 CO 0.21 -0.27 0.18 0.00 0.95 0.00 0.00 175.26 176.33 1oww s ALA 49 N -2.06 -0.14 -0.12 -0.84 0.00 0.07 -5.00 121.76 113.67 1oww s ALA 49 Ca -0.08 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1oww s ALA 49 Cb -0.02 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1oww s ALA 49 CO 0.00 -0.51 -0.20 0.99 0.00 0.00 0.00 175.76 176.04 1oww s THR 50 N -3.88 1.88 -0.06 0.00 2.01 -1.26 -2.02 115.64 112.32 1oww s THR 50 Ca 0.07 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.23 1oww s THR 50 Cb 0.05 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1oww s THR 50 CO -0.10 0.52 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.51 1oww s ILE 51 N 0.72 2.47 1.06 1.82 1.01 0.10 -4.99 121.20 123.39 1oww s ILE 51 Ca -0.11 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1oww s ILE 51 Cb -0.16 -1.93 0.23 0.00 0.01 0.00 0.00 42.46 40.61 1oww s ILE 51 CO 0.01 0.57 1.06 -2.84 0.00 0.00 0.00 174.94 173.75 1oww s PRO 52 N -0.35 -0.11 0.00 2.79 0.02 -1.26 -2.32 135.00 133.76 1oww s PRO 52 Ca 0.02 0.75 0.20 0.00 0.02 0.00 0.00 61.00 62.00 1oww s PRO 52 Cb -0.12 -1.65 0.53 0.00 0.02 0.00 0.00 34.50 33.27 1oww s PRO 52 CO 0.02 -3.16 1.45 0.41 -0.33 0.00 0.00 177.00 175.39 1oww n GLY 53 N -0.14 1.58 0.10 0.52 0.00 -1.26 -4.26 105.19 101.74 1oww n GLY 53 Ca 0.05 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1oww n GLY 53 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1oww h HIS 54 N 3.64 0.20 -3.42 1.61 2.07 -1.93 -3.46 115.15 113.87 1oww h HIS 54 Ca 0.00 -0.15 -0.47 0.00 -2.85 0.00 0.00 60.37 56.90 1oww h HIS 54 Cb 0.82 -0.01 0.05 0.00 2.57 0.00 0.00 27.41 30.84 1oww h HIS 54 CO 0.31 1.31 0.12 -0.48 -3.07 0.00 0.00 177.93 176.13 1oww s LEU 55 N -7.90 3.26 0.00 6.12 2.34 -1.26 -5.01 118.68 116.23 1oww s LEU 55 Ca -0.21 0.55 0.11 0.00 0.06 0.00 0.00 54.13 54.65 1oww s LEU 55 Cb 0.02 -3.37 0.19 0.00 -0.56 0.00 0.00 46.19 42.47 1oww s LEU 55 CO 0.71 -1.07 1.07 -0.46 -1.06 0.00 0.00 176.35 175.54 1oww n ASN 56 N -2.52 0.43 -4.22 1.48 6.94 -1.26 -4.85 115.26 111.25 1oww n ASN 56 Ca 0.05 -1.99 -0.14 0.00 -0.02 0.00 0.00 54.58 52.48 1oww n ASN 56 Cb 0.58 -0.24 -0.10 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.43 1.67 0.35 0.53 1.04 -1.26 -1.92 113.70 112.68 1oww s SER 57 Ca 0.15 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 55.67 1oww s SER 57 Cb 0.17 -0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1oww s SER 57 CO -0.07 -0.31 0.15 -0.47 0.98 0.00 0.00 173.24 173.51 1oww s TYR 58 N -3.05 1.72 -0.18 5.02 5.04 -0.67 -4.98 117.35 120.25 1oww s TYR 58 Ca 0.13 -1.32 -0.04 0.00 -2.44 0.00 0.00 57.07 53.39 1oww s TYR 58 Cb 0.01 -1.00 0.07 0.00 0.35 0.00 0.00 41.96 41.39 1oww s TYR 58 CO 0.00 -0.42 0.15 0.99 -1.34 0.00 0.00 175.55 174.93 1oww s THR 59 N -3.41 -0.20 0.18 4.34 2.01 -1.26 -2.29 115.64 115.00 1oww s THR 59 Ca 0.32 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.10 1oww s THR 59 Cb 0.04 -0.59 -0.07 0.00 0.01 0.00 0.00 72.50 71.89 1oww s THR 59 CO 0.17 -0.21 0.54 -0.63 -0.69 0.00 0.00 174.62 173.79 1oww s ILE 60 N 2.23 4.91 0.13 1.82 1.01 -0.95 -4.94 121.20 125.41 1oww s ILE 60 Ca 0.04 0.63 -0.04 0.00 0.00 0.00 0.00 60.65 61.29 1oww s ILE 60 Cb -0.16 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1oww s ILE 60 CO -0.10 0.10 0.12 -0.54 0.00 0.00 0.00 174.94 174.52 1oww s LYS 61 N -2.36 0.96 0.00 2.79 1.02 -1.26 -1.43 119.74 119.46 1oww s LYS 61 Ca 0.42 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1oww s LYS 61 Cb -0.13 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1oww s LYS 61 CO 0.20 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1oww n GLY 62 N -0.11 0.45 3.68 -3.33 0.00 -0.87 -4.99 105.19 100.02 1oww n GLY 62 Ca -0.07 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.80 2.70 0.28 0.99 1.43 -0.61 -5.08 118.68 116.60 1oww s LEU 63 Ca 0.00 -1.44 0.10 0.00 -1.03 0.00 0.00 54.13 51.76 1oww s LEU 63 Cb 0.00 -0.90 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 1oww s LEU 63 CO 0.00 -0.61 -0.03 -0.54 0.23 0.00 0.00 176.35 175.40 1oww s LYS 64 N -3.80 2.16 0.68 1.70 1.02 -1.21 -4.36 119.74 115.93 1oww s LYS 64 Ca 0.26 -1.53 -0.11 0.00 0.02 0.00 0.00 55.97 54.60 1oww s LYS 64 Cb 0.06 -2.06 -0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1oww s LYS 64 CO 0.14 0.31 1.08 -1.25 -0.92 0.00 0.00 175.35 174.71 1oww s PRO 65 N -3.66 3.05 -1.94 -1.68 0.04 -1.22 -4.46 135.00 125.13 1oww s PRO 65 Ca 0.32 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1oww s PRO 65 Cb -0.05 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1oww s PRO 65 CO 0.19 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1oww n GLY 66 N -2.89 0.82 3.39 0.56 0.00 -0.65 -4.92 105.19 101.51 1oww n GLY 66 Ca 0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.87 2.36 -0.20 1.61 0.11 -1.16 -4.98 120.40 115.28 1oww s VAL 67 Ca 0.00 -1.44 -0.10 0.00 -2.93 0.00 0.00 61.98 57.52 1oww s VAL 67 Cb 0.00 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 1oww s VAL 67 CO 0.00 0.28 0.12 0.54 -3.33 0.00 0.00 175.10 172.72 1oww s VAL 68 N -0.91 5.36 0.11 2.04 0.11 -1.26 -1.93 120.40 123.91 1oww s VAL 68 Ca 0.13 0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.43 1oww s VAL 68 Cb -0.10 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 1oww s VAL 68 CO 0.04 0.44 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.83 1oww s TYR 69 N 0.37 2.71 -0.03 1.54 2.02 -0.62 -1.45 117.35 121.89 1oww s TYR 69 Ca 0.08 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1oww s TYR 69 Cb -0.11 -1.42 -0.04 0.00 -0.40 0.00 0.00 41.96 39.99 1oww s TYR 69 CO -0.02 0.42 0.16 -1.83 -1.57 0.00 0.00 175.55 172.71 1oww s GLU 70 N -2.21 3.39 0.18 -0.62 -1.05 -0.24 -1.61 118.70 116.54 1oww s GLU 70 Ca 0.21 -0.30 0.07 0.00 -0.15 0.00 0.00 54.97 54.80 1oww s GLU 70 Cb -0.11 -3.09 -0.04 0.00 -0.44 0.00 0.00 34.13 30.45 1oww s GLU 70 CO 0.13 0.70 -0.15 0.20 0.95 0.00 0.00 175.26 177.09 1oww s GLY 71 N -1.69 1.33 -0.05 -3.83 0.00 -0.82 -1.54 107.32 100.71 1oww s GLY 71 Ca 0.24 -1.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 1oww s GLY 71 CO 0.15 -1.62 0.12 1.62 0.00 0.00 0.00 173.10 173.37 1oww s GLN 72 N -3.25 0.07 -0.36 2.90 0.74 -0.64 -1.84 119.66 117.28 1oww s GLN 72 Ca 0.18 0.30 -0.03 0.00 0.05 0.00 0.00 55.36 55.86 1oww s GLN 72 Cb -0.03 -0.16 0.08 0.00 1.10 0.00 0.00 33.01 34.00 1oww s GLN 72 CO 0.06 -0.14 0.11 -1.17 -0.55 0.00 0.00 175.29 173.60 1oww s LEU 73 N 0.99 4.64 -0.22 3.68 2.96 -0.18 -0.46 118.68 130.09 1oww s LEU 73 Ca -0.08 -1.66 -0.10 0.00 -0.22 0.00 0.00 54.13 52.07 1oww s LEU 73 Cb -0.10 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1oww s LEU 73 CO -0.04 -0.41 0.14 -0.63 -1.32 0.00 0.00 176.35 174.08 1oww s ILE 74 N 1.20 5.30 -0.22 6.68 1.01 -0.63 -1.51 121.20 133.03 1oww s ILE 74 Ca 0.02 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1oww s ILE 74 Cb -0.21 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1oww s ILE 74 CO -0.02 0.38 -0.13 -0.44 0.00 0.00 0.00 174.94 174.73 1oww s SER 75 N 0.82 3.87 -0.08 3.58 0.01 -0.26 -0.39 113.70 121.25 1oww s SER 75 Ca 0.07 -0.91 -0.03 0.00 1.31 0.00 0.00 55.95 56.39 1oww s SER 75 Cb -0.13 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1oww s SER 75 CO 0.02 -0.09 0.06 -0.63 0.41 0.00 0.00 173.24 173.01 1oww s ILE 76 N 1.25 4.76 -0.21 1.44 1.09 -0.82 -1.44 121.20 127.27 1oww s ILE 76 Ca -0.00 -0.14 -0.08 0.00 -1.10 0.00 0.00 60.65 59.33 1oww s ILE 76 Cb -0.16 -3.06 -0.04 0.00 -1.06 0.00 0.00 42.46 38.14 1oww s ILE 76 CO -0.08 0.56 0.08 -1.58 -0.10 0.00 0.00 174.94 173.82 1oww s GLN 77 N -1.10 3.89 -0.13 2.79 2.00 -0.87 -1.14 119.66 125.09 1oww s GLN 77 Ca 0.16 -0.38 -0.29 0.00 -2.00 0.00 0.00 55.36 52.85 1oww s GLN 77 Cb -0.12 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1oww s GLN 77 CO 0.05 0.09 1.63 -1.14 -0.50 0.00 0.00 175.29 175.42 1oww s GLN 78 N 0.89 4.02 -0.89 1.67 0.74 -1.26 -2.22 119.66 122.61 1oww s GLN 78 Ca 0.04 1.96 -0.02 0.00 0.05 0.00 0.00 55.36 57.39 1oww s GLN 78 Cb -0.14 -4.00 -0.02 0.00 1.10 0.00 0.00 33.01 29.95 1oww s GLN 78 CO 0.03 -1.03 0.75 0.66 -0.55 0.00 0.00 175.29 175.15 1oww n TYR 79 N 7.70 -1.79 0.00 1.67 4.01 -1.26 -4.90 117.16 122.59 1oww n TYR 79 Ca 0.18 0.71 0.00 0.00 -0.16 0.00 0.00 57.90 58.63 1oww n TYR 79 Cb 0.44 -4.15 0.00 0.00 -0.31 0.00 0.00 39.34 35.32 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 -1.18 -0.27 3.89 2.72 0.00 -0.94 -5.17 105.19 104.24 1oww n GLY 80 Ca -0.16 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 2.05 3.29 -0.23 1.61 3.76 -1.20 -4.89 115.29 119.69 1oww s HIS 81 Ca 0.00 1.01 -0.03 0.00 -0.15 0.00 0.00 55.06 55.89 1oww s HIS 81 Cb 0.00 -3.09 0.13 0.00 1.11 0.00 0.00 32.58 30.72 1oww s HIS 81 CO 0.00 -1.21 0.37 -1.14 -0.85 0.00 0.00 174.74 171.91 1oww s GLN 82 N -5.36 0.33 0.10 1.40 0.74 -1.26 -2.06 119.66 113.55 1oww s GLN 82 Ca 0.58 0.58 0.01 0.00 0.05 0.00 0.00 55.36 56.58 1oww s GLN 82 Cb -0.11 -0.42 -0.04 0.00 1.10 0.00 0.00 33.01 33.54 1oww s GLN 82 CO 0.51 -0.59 0.25 -2.00 -0.55 0.00 0.00 175.29 172.91 1oww s GLU 83 N 2.54 3.45 -0.01 1.67 2.56 -0.52 -4.97 118.70 123.42 1oww s GLU 83 Ca 0.11 -0.49 0.04 0.00 0.00 0.00 0.00 54.97 54.63 1oww s GLU 83 Cb -0.15 -3.00 -0.01 0.00 2.00 0.00 0.00 34.13 32.97 1oww s GLU 83 CO -0.15 0.57 -0.12 0.54 -0.56 0.00 0.00 175.26 175.54 1oww s VAL 84 N -1.61 0.94 -0.02 3.70 0.11 -1.26 -1.10 120.40 121.16 1oww s VAL 84 Ca 0.35 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 1oww s VAL 84 Cb -0.12 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1oww s VAL 84 CO 0.28 0.27 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.43 1oww s THR 85 N -0.27 0.12 0.34 5.04 2.01 -0.57 -4.55 115.64 117.76 1oww s THR 85 Ca 0.04 0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.18 1oww s THR 85 Cb -0.05 -0.18 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1oww s THR 85 CO -0.00 0.09 0.08 0.00 -0.69 0.00 0.00 174.62 174.10 1oww s ARG 86 N 0.61 2.23 0.25 4.92 1.70 -1.26 -1.02 118.95 126.38 1oww s ARG 86 Ca -0.06 -1.65 -0.21 0.00 -0.47 0.00 0.00 55.73 53.34 1oww s ARG 86 Cb -0.09 -2.05 0.06 0.00 -0.57 0.00 0.00 34.95 32.30 1oww s ARG 86 CO -0.01 0.12 0.89 -0.59 -1.08 0.00 0.00 175.30 174.62 1oww s PHE 87 N -2.47 -0.02 0.05 5.89 -0.71 -0.77 -4.93 117.98 115.01 1oww s PHE 87 Ca 0.36 -0.44 -0.06 0.00 -1.04 0.00 0.00 56.93 55.76 1oww s PHE 87 Cb -0.01 0.72 -0.01 0.00 -1.21 0.00 0.00 43.02 42.51 1oww s PHE 87 CO 0.21 -1.13 0.10 0.16 -1.34 0.00 0.00 175.22 173.22 1oww s ASP 88 N -3.09 0.20 0.28 1.98 1.47 -1.26 -1.95 116.67 114.29 1oww s ASP 88 Ca 0.15 -0.61 -0.07 0.00 1.18 0.00 0.00 52.55 53.20 1oww s ASP 88 Cb -0.04 0.25 -0.01 0.00 -0.34 0.00 0.00 42.92 42.78 1oww s ASP 88 CO 0.06 -0.57 0.42 0.72 0.68 0.00 0.00 175.17 176.49 1oww s PHE 89 N -3.03 0.77 0.04 2.11 -0.71 -0.63 -4.92 117.98 111.60 1oww s PHE 89 Ca -0.01 -1.06 0.08 0.00 -1.04 0.00 0.00 56.93 54.90 1oww s PHE 89 Cb 0.01 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1oww s PHE 89 CO -0.07 -0.99 -0.23 0.95 -1.34 0.00 0.00 175.22 173.55 1oww s THR 90 N -3.66 1.82 -0.74 -4.49 -4.23 -1.26 -1.58 115.64 101.50 1oww s THR 90 Ca 0.28 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 1oww s THR 90 Cb 0.01 -1.57 0.19 0.00 1.34 0.00 0.00 72.50 72.47 1oww s THR 90 CO 0.14 0.30 0.59 -0.89 -0.54 0.00 0.00 174.62 174.22 1oww s THR 91 N -0.76 4.19 -0.25 3.99 2.01 -0.81 -4.89 115.64 119.12 1oww s THR 91 Ca 0.09 -3.18 -0.16 0.00 0.31 0.00 0.00 61.69 58.75 1oww s THR 91 Cb -0.09 -3.66 -0.13 0.00 0.01 0.00 0.00 72.50 68.62 1oww s THR 91 CO 0.01 -0.97 -0.22 1.07 -0.69 0.00 0.00 174.62 173.83 1oww n THR 92 N 3.19 1.53 -0.63 -0.82 5.66 -1.26 -1.63 114.28 120.31 1oww n THR 92 Ca 0.13 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1oww n THR 92 Cb 0.39 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.21 1oww n THR 92 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78