#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 -0.31 3.77 0.46 0.00 -1.26 -5.14 105.19 102.71 1oww n GLY 2 Ca 0.00 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 3.77 0.56 1.61 0.02 -1.26 -4.78 135.00 132.92 1oww s PRO 3 Ca 0.00 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.26 1oww s PRO 3 Cb 0.00 -2.70 -0.05 0.00 0.02 0.00 0.00 34.50 31.76 1oww s PRO 3 CO 0.00 -0.75 1.03 0.08 -0.33 0.00 0.00 177.00 177.03 1oww s VAL 4 N -1.20 4.06 -0.75 3.83 1.01 -1.26 -5.00 120.40 121.09 1oww s VAL 4 Ca 0.60 1.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.43 1oww s VAL 4 Cb -0.43 -3.50 0.19 0.00 0.00 0.00 0.00 36.38 32.64 1oww s VAL 4 CO 0.56 -0.55 0.70 -1.61 0.00 0.00 0.00 175.10 174.20 1oww s GLU 5 N -4.02 3.43 -0.15 2.72 0.41 -1.06 -4.97 118.70 115.07 1oww s GLU 5 Ca 0.62 -2.24 -0.04 0.00 -0.41 0.00 0.00 54.97 52.91 1oww s GLU 5 Cb -0.14 -4.40 -0.03 0.00 -1.78 0.00 0.00 34.13 27.78 1oww s GLU 5 CO 0.34 -1.31 -0.02 0.54 -0.49 0.00 0.00 175.26 174.32 1oww s VAL 6 N 0.61 4.06 0.07 2.63 0.11 -1.26 -1.19 120.40 125.43 1oww s VAL 6 Ca 0.14 -0.30 -0.10 0.00 -2.93 0.00 0.00 61.98 58.78 1oww s VAL 6 Cb -0.16 -2.78 -0.06 0.00 -1.53 0.00 0.00 36.38 31.86 1oww s VAL 6 CO -0.06 0.50 0.40 -0.36 -3.33 0.00 0.00 175.10 172.26 1oww s PHE 7 N 0.19 3.60 -0.47 1.54 0.08 -0.44 -4.99 117.98 117.50 1oww s PHE 7 Ca -0.01 0.81 -0.01 0.00 0.12 0.00 0.00 56.93 57.84 1oww s PHE 7 Cb -0.13 -2.18 0.13 0.00 -0.57 0.00 0.00 43.02 40.27 1oww s PHE 7 CO 0.02 0.54 0.26 0.42 -0.10 0.00 0.00 175.22 176.36 1oww s ILE 8 N -1.35 3.20 -0.70 0.64 -1.09 -1.26 -2.93 121.20 117.71 1oww s ILE 8 Ca 0.32 -2.49 -0.22 0.00 -2.23 0.00 0.00 60.65 56.03 1oww s ILE 8 Cb -0.14 -3.18 0.08 0.00 -1.58 0.00 0.00 42.46 37.63 1oww s ILE 8 CO 0.17 -0.74 0.98 0.42 -1.23 0.00 0.00 174.94 174.54 1oww s THR 9 N 0.62 4.39 -0.55 2.92 -4.23 -1.25 -4.81 115.64 112.73 1oww s THR 9 Ca 0.12 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 1oww s THR 9 Cb -0.22 -4.69 0.45 0.00 1.34 0.00 0.00 72.50 69.37 1oww s THR 9 CO -0.04 -1.46 1.74 -0.62 -0.54 0.00 0.00 174.62 173.70 1oww n GLU 10 N 7.52 3.02 -0.07 3.99 1.02 -1.26 -4.40 120.64 130.45 1oww n GLU 10 Ca -0.00 -3.62 -0.07 0.00 -0.02 0.00 0.00 57.16 53.45 1oww n GLU 10 Cb 0.46 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.55 1oww n GLU 10 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1oww h THR 11 N 1.47 0.35 -4.11 2.62 2.02 -1.94 -3.47 112.91 109.84 1oww h THR 11 Ca 0.52 -1.34 -0.45 0.00 0.77 0.00 0.00 66.41 65.91 1oww h THR 11 Cb 1.02 0.74 0.14 0.00 -1.74 0.00 0.00 68.15 68.31 1oww h THR 11 CO 1.30 0.12 0.29 -2.16 0.37 0.00 0.00 175.52 175.43 1oww s PRO 12 N -2.04 0.77 -0.30 6.66 0.04 -1.26 -5.03 135.00 133.84 1oww s PRO 12 Ca -0.13 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.12 1oww s PRO 12 Cb 0.01 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.83 1oww s PRO 12 CO 0.26 -2.43 0.02 -1.12 0.04 0.00 0.00 177.00 173.77 1oww s SER 13 N -4.08 4.43 -0.02 6.66 0.01 -1.26 -4.93 113.70 114.50 1oww s SER 13 Ca 0.66 -1.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.13 1oww s SER 13 Cb -0.13 -1.40 0.02 0.00 0.21 0.00 0.00 66.02 64.72 1oww s SER 13 CO 0.54 -0.33 0.04 -1.10 0.41 0.00 0.00 173.24 172.80 1oww s GLN 14 N 1.15 0.00 0.06 12.44 1.11 -1.26 -5.05 119.66 128.11 1oww s GLN 14 Ca 0.05 0.15 0.27 0.00 0.01 0.00 0.00 55.36 55.84 1oww s GLN 14 Cb -0.19 -0.13 0.97 0.00 -1.01 0.00 0.00 33.01 32.65 1oww s GLN 14 CO -0.10 -0.10 1.78 -0.35 0.01 0.00 0.00 175.29 176.53 1oww n PRO 15 N 3.72 0.09 0.00 2.91 -0.04 -1.26 -3.94 135.00 136.47 1oww n PRO 15 Ca -0.21 0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1oww n PRO 15 Cb 0.54 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1oww n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1oww n ASN 16 N -1.74 3.74 -4.78 3.54 4.13 -1.26 -2.32 115.26 116.58 1oww n ASN 16 Ca 0.06 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.97 1oww n ASN 16 Cb 0.37 0.71 -0.07 0.00 -1.54 0.00 0.00 39.78 39.25 1oww n ASN 16 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1oww s SER 17 N -1.59 5.76 -0.30 6.41 0.01 -1.25 -1.34 113.70 121.39 1oww s SER 17 Ca 0.00 0.25 -0.03 0.00 1.31 0.00 0.00 55.95 57.48 1oww s SER 17 Cb 0.00 -1.72 0.11 0.00 0.21 0.00 0.00 66.02 64.62 1oww s SER 17 CO 0.00 0.35 0.14 -2.28 0.41 0.00 0.00 173.24 171.86 1oww s HIS 18 N -1.05 0.51 0.40 2.43 2.46 -0.54 -4.45 115.29 115.06 1oww s HIS 18 Ca 0.17 -1.10 -0.21 0.00 0.47 0.00 0.00 55.06 54.39 1oww s HIS 18 Cb -0.12 -0.97 -0.11 0.00 -0.13 0.00 0.00 32.58 31.26 1oww s HIS 18 CO 0.07 -0.83 0.93 -1.25 -2.47 0.00 0.00 174.74 171.19 1oww s PRO 19 N 1.85 4.28 0.37 2.88 0.04 -1.26 -2.11 135.00 141.05 1oww s PRO 19 Ca 0.11 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.32 1oww s PRO 19 Cb -0.18 -2.33 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 1oww s PRO 19 CO -0.29 0.05 0.04 0.96 0.04 0.00 0.00 177.00 177.80 1oww s ILE 20 N -2.05 1.51 0.08 0.56 -4.36 -0.92 -3.80 121.20 112.21 1oww s ILE 20 Ca 0.59 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1oww s ILE 20 Cb -0.11 -2.83 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 1oww s ILE 20 CO 0.15 0.00 -0.02 -1.10 0.24 0.00 0.00 174.94 174.22 1oww s GLN 21 N -3.81 0.73 0.23 0.37 -0.21 -1.15 -1.73 119.66 114.08 1oww s GLN 21 Ca 0.34 -1.29 -0.10 0.00 0.02 0.00 0.00 55.36 54.33 1oww s GLN 21 Cb 0.09 0.12 -0.01 0.00 1.00 0.00 0.00 33.01 34.21 1oww s GLN 21 CO 0.16 -0.12 0.37 1.67 -2.12 0.00 0.00 175.29 175.25 1oww s TRP 22 N -3.88 0.55 -0.06 0.91 -2.14 -0.63 -1.33 118.94 112.36 1oww s TRP 22 Ca 0.12 -0.88 0.00 0.00 2.66 0.00 0.00 56.10 58.00 1oww s TRP 22 Cb 0.07 -0.01 0.02 0.00 -3.10 0.00 0.00 33.47 30.45 1oww s TRP 22 CO -0.06 -0.88 -0.04 -0.80 -2.66 0.00 0.00 176.95 172.51 1oww s ASN 23 N -3.04 1.26 0.51 -2.66 0.01 -0.33 -4.75 114.94 105.94 1oww s ASN 23 Ca 0.26 -0.14 0.07 0.00 -0.71 0.00 0.00 52.86 52.34 1oww s ASN 23 Cb 0.02 -0.49 0.04 0.00 0.41 0.00 0.00 41.25 41.22 1oww s ASN 23 CO 0.09 -0.10 0.52 0.00 -1.51 0.00 0.00 177.10 176.10 1oww s ALA 24 N 1.28 4.43 0.50 0.60 0.00 -1.26 -2.55 121.76 124.75 1oww s ALA 24 Ca -0.05 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 49.98 1oww s ALA 24 Cb -0.14 -1.06 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 1oww s ALA 24 CO -0.02 -0.50 1.37 -2.14 0.00 0.00 0.00 175.76 174.46 1oww s PRO 25 N -4.36 3.43 -0.01 0.00 0.02 -1.26 -4.99 135.00 127.83 1oww s PRO 25 Ca 0.47 2.26 -0.13 0.00 0.02 0.00 0.00 61.00 63.62 1oww s PRO 25 Cb -0.04 -2.44 -0.33 0.00 0.02 0.00 0.00 34.50 31.71 1oww s PRO 25 CO 0.29 -0.97 0.83 0.37 -0.33 0.00 0.00 177.00 177.18 1oww h GLN 26 N 1.89 0.47 0.00 5.54 4.15 -2.00 -3.34 115.11 121.82 1oww h GLN 26 Ca -0.51 -0.81 0.00 0.00 0.77 0.00 0.00 58.65 58.11 1oww h GLN 26 Cb 1.28 0.30 0.00 0.00 0.21 0.00 0.00 27.48 29.27 1oww h GLN 26 CO 0.59 1.39 0.00 -2.30 -1.93 0.00 0.00 178.83 176.58 1oww n PRO 27 N -3.65 0.61 -2.17 -2.39 -0.02 -1.26 -4.83 135.00 121.28 1oww n PRO 27 Ca -0.21 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.24 1oww n PRO 27 Cb 1.09 -1.27 0.02 0.00 -0.02 0.00 0.00 33.50 33.32 1oww n PRO 27 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1oww n SER 28 N -0.77 -4.11 0.03 2.55 7.64 -1.25 -4.99 113.62 112.73 1oww n SER 28 Ca 0.08 -0.17 -0.04 0.00 1.01 0.00 0.00 58.87 59.75 1oww n SER 28 Cb 0.04 -2.57 -0.10 0.00 -1.01 0.00 0.00 64.21 60.56 1oww n SER 28 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1oww h HIS 29 N -0.15 0.00 -4.03 1.43 6.17 -1.88 -3.47 115.15 113.22 1oww h HIS 29 Ca -0.13 0.00 -0.69 0.00 0.71 0.00 0.00 60.37 60.26 1oww h HIS 29 Cb 1.07 0.00 -0.23 0.00 2.52 0.00 0.00 27.41 30.76 1oww h HIS 29 CO 0.10 0.81 -0.86 0.42 0.71 0.00 0.00 177.93 179.11 1oww s ILE 30 N -2.76 2.32 0.00 6.26 -1.09 -1.26 -4.77 121.20 119.90 1oww s ILE 30 Ca -0.02 -1.56 0.00 0.00 -2.23 0.00 0.00 60.65 56.84 1oww s ILE 30 Cb 0.09 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.98 1oww s ILE 30 CO 0.81 0.21 0.00 -1.20 -1.23 0.00 0.00 174.94 173.53 1oww n SER 31 N 1.25 0.00 -4.93 3.58 7.64 -0.67 -4.99 113.62 115.50 1oww n SER 31 Ca -0.17 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.48 1oww n SER 31 Cb 0.53 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.78 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1oww s LYS 32 N 0.00 2.34 0.03 1.43 1.02 -0.71 -4.01 119.74 119.84 1oww s LYS 32 Ca 0.00 -0.59 0.04 0.00 0.02 0.00 0.00 55.97 55.44 1oww s LYS 32 Cb 0.00 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 1oww s LYS 32 CO 0.00 -0.98 -0.12 0.71 -0.92 0.00 0.00 175.35 174.04 1oww s TYR 33 N -2.98 1.08 -0.04 3.18 2.02 -0.98 -2.42 117.35 117.21 1oww s TYR 33 Ca 0.59 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 57.01 1oww s TYR 33 Cb -0.10 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.80 1oww s TYR 33 CO 0.41 0.01 -0.21 0.42 -1.57 0.00 0.00 175.55 174.61 1oww s ILE 34 N -0.82 1.71 -0.09 2.71 1.01 0.18 -1.13 121.20 124.76 1oww s ILE 34 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 1oww s ILE 34 Cb -0.07 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 1oww s ILE 34 CO 0.01 0.48 -0.14 -0.76 0.00 0.00 0.00 174.94 174.54 1oww s LEU 35 N -0.25 2.73 0.26 2.97 1.43 -0.81 -1.10 118.68 123.90 1oww s LEU 35 Ca 0.02 -0.27 0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1oww s LEU 35 Cb -0.11 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1oww s LEU 35 CO 0.01 0.25 -0.16 -0.13 0.23 0.00 0.00 176.35 176.55 1oww s ARG 36 N -0.14 1.82 0.09 1.70 0.52 0.11 -1.08 118.95 121.98 1oww s ARG 36 Ca -0.01 -1.62 -0.16 0.00 -0.52 0.00 0.00 55.73 53.42 1oww s ARG 36 Cb -0.14 -1.90 0.03 0.00 0.52 0.00 0.00 34.95 33.47 1oww s ARG 36 CO 0.03 0.36 0.38 1.67 0.02 0.00 0.00 175.30 177.76 1oww s TRP 37 N -2.29 -0.18 -0.28 -0.53 -2.14 -0.51 -1.75 118.94 111.26 1oww s TRP 37 Ca 0.29 -0.07 -0.21 0.00 2.66 0.00 0.00 56.10 58.77 1oww s TRP 37 Cb -0.06 0.21 0.11 0.00 -3.10 0.00 0.00 33.47 30.62 1oww s TRP 37 CO 0.15 -0.64 0.89 0.50 -2.66 0.00 0.00 176.95 175.19 1oww s ARG 38 N -3.38 0.59 -0.21 3.25 3.52 -0.45 -1.48 118.95 120.79 1oww s ARG 38 Ca 0.00 0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 56.13 1oww s ARG 38 Cb 0.01 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1oww s ARG 38 CO -0.09 -0.09 1.41 -1.25 -0.81 0.00 0.00 175.30 174.47 1oww s PRO 39 N 0.76 4.01 -0.97 5.12 0.04 -1.26 -1.10 135.00 141.60 1oww s PRO 39 Ca -0.03 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 1oww s PRO 39 Cb -0.05 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1oww s PRO 39 CO -0.09 -1.01 1.90 0.21 0.04 0.00 0.00 177.00 178.05 1oww s LYS 40 N 4.08 2.65 0.38 4.56 2.20 -0.61 -3.78 119.74 129.21 1oww s LYS 40 Ca 0.62 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1oww s LYS 40 Cb -0.22 -5.13 0.00 0.00 -1.51 0.00 0.00 37.83 30.97 1oww s LYS 40 CO 0.23 -3.38 0.00 -1.71 -0.36 0.00 0.00 175.35 170.12 1oww n ASN 41 N 13.57 -2.80 -1.51 1.43 2.85 -1.26 -4.77 115.26 122.78 1oww n ASN 41 Ca 0.41 0.71 0.00 0.00 -0.11 0.00 0.00 54.58 55.59 1oww n ASN 41 Cb 0.47 2.69 0.00 0.00 1.24 0.00 0.00 39.78 44.18 1oww n ASN 41 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1oww n SER 42 N -3.36 0.73 -3.17 1.20 2.88 -1.25 -5.08 113.62 105.58 1oww n SER 42 Ca 0.00 -0.75 -0.22 0.00 -1.33 0.00 0.00 58.87 56.57 1oww n SER 42 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1oww n SER 42 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1oww n VAL 43 N -0.48 0.47 0.00 2.46 0.24 -1.26 -4.91 118.33 114.86 1oww n VAL 43 Ca 0.00 -4.67 0.00 0.00 -2.04 0.00 0.00 64.34 57.63 1oww n VAL 43 Cb 0.00 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.32 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 0.53 1.05 3.89 7.63 0.00 -1.26 -5.07 105.19 111.96 1oww n GLY 44 Ca 0.25 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 2.51 3.67 0.20 1.61 3.00 -1.26 -5.09 118.95 123.59 1oww s ARG 45 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 55.73 55.69 1oww s ARG 45 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 34.95 32.08 1oww s ARG 45 CO 0.00 0.44 0.46 -1.58 0.00 0.00 0.00 175.30 174.62 1oww s TRP 46 N -1.67 3.46 0.16 -0.53 0.52 -1.26 -4.84 118.94 114.77 1oww s TRP 46 Ca 0.42 0.63 -0.02 0.00 0.02 0.00 0.00 56.10 57.15 1oww s TRP 46 Cb -0.12 -2.07 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 1oww s TRP 46 CO 0.23 0.33 0.35 0.15 0.02 0.00 0.00 176.95 178.04 1oww s LYS 47 N -2.95 3.54 0.05 4.98 1.02 -0.55 -4.99 119.74 120.85 1oww s LYS 47 Ca 0.43 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 55.97 1oww s LYS 47 Cb -0.11 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1oww s LYS 47 CO 0.25 0.46 0.39 -1.83 -0.92 0.00 0.00 175.35 173.70 1oww s GLU 48 N -2.97 0.92 0.08 1.68 1.03 -1.26 -1.43 118.70 116.75 1oww s GLU 48 Ca 0.39 -0.43 -0.02 0.00 0.03 0.00 0.00 54.97 54.94 1oww s GLU 48 Cb -0.12 0.41 -0.04 0.00 -0.80 0.00 0.00 34.13 33.59 1oww s GLU 48 CO 0.27 -0.32 0.02 0.00 -1.33 0.00 0.00 175.26 173.90 1oww s ALA 49 N -2.66 0.52 -0.15 -0.84 0.00 -0.24 -5.01 121.76 113.38 1oww s ALA 49 Ca -0.04 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1oww s ALA 49 Cb -0.00 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.58 1oww s ALA 49 CO -0.04 -0.42 -0.20 0.99 0.00 0.00 0.00 175.76 176.10 1oww s THR 50 N -3.95 2.25 -0.13 0.00 2.01 -1.26 -1.92 115.64 112.64 1oww s THR 50 Ca 0.11 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1oww s THR 50 Cb 0.07 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1oww s THR 50 CO -0.07 0.54 0.02 -0.63 -0.69 0.00 0.00 174.62 173.79 1oww s ILE 51 N 0.85 4.41 0.94 1.82 1.09 -0.29 -5.01 121.20 125.01 1oww s ILE 51 Ca -0.06 -0.19 -0.11 0.00 -1.10 0.00 0.00 60.65 59.20 1oww s ILE 51 Cb -0.15 -2.92 0.16 0.00 -1.06 0.00 0.00 42.46 38.49 1oww s ILE 51 CO -0.02 0.53 1.10 -2.84 -0.10 0.00 0.00 174.94 173.62 1oww s PRO 52 N -0.19 0.83 0.36 2.79 0.02 -1.26 -2.32 135.00 135.22 1oww s PRO 52 Ca 0.06 1.19 0.27 0.00 0.02 0.00 0.00 61.00 62.53 1oww s PRO 52 Cb -0.12 -1.73 0.91 0.00 0.02 0.00 0.00 34.50 33.58 1oww s PRO 52 CO 0.02 -2.65 1.78 0.78 -0.33 0.00 0.00 177.00 176.60 1oww h GLY 53 N -1.86 0.00 1.60 0.52 0.00 -1.92 -3.04 103.07 98.37 1oww h GLY 53 Ca -0.48 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.63 1oww h GLY 53 CO 0.48 0.00 -1.17 1.12 0.00 0.00 0.00 176.54 176.97 1oww h HIS 54 N 0.00 0.00 -3.34 5.60 2.07 -1.92 -3.44 115.15 114.11 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 0.62 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.54 1oww h HIS 54 CO 0.00 0.87 -0.01 -0.51 -3.07 0.00 0.00 177.93 175.21 1oww s LEU 55 N -6.39 4.32 -0.02 6.12 1.43 -1.15 -4.94 118.68 118.05 1oww s LEU 55 Ca -0.01 1.06 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 1oww s LEU 55 Cb 0.09 -2.92 0.13 0.00 0.03 0.00 0.00 46.19 43.52 1oww s LEU 55 CO 0.81 -0.04 1.10 -0.46 0.23 0.00 0.00 176.35 177.99 1oww n ASN 56 N 3.57 2.37 -4.05 2.29 0.23 -1.26 -4.71 115.26 113.68 1oww n ASN 56 Ca -0.04 -2.15 -0.07 0.00 -0.53 0.00 0.00 54.58 51.79 1oww n ASN 56 Cb 0.51 -0.13 -0.10 0.00 -2.08 0.00 0.00 39.78 37.99 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 -1.22 0.43 0.29 0.53 1.04 -1.26 -1.61 113.70 111.90 1oww s SER 57 Ca 0.11 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.62 1oww s SER 57 Cb 0.07 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1oww s SER 57 CO 0.05 -0.61 0.14 -0.47 0.98 0.00 0.00 173.24 173.33 1oww s TYR 58 N -3.87 1.56 -0.17 5.02 5.04 -0.71 -4.99 117.35 119.23 1oww s TYR 58 Ca 0.06 -1.32 -0.04 0.00 -2.44 0.00 0.00 57.07 53.34 1oww s TYR 58 Cb 0.07 -0.85 0.06 0.00 0.35 0.00 0.00 41.96 41.59 1oww s TYR 58 CO -0.10 -0.48 0.06 0.99 -1.34 0.00 0.00 175.55 174.68 1oww s THR 59 N -3.68 0.23 0.14 4.34 2.01 -1.26 -2.17 115.64 115.24 1oww s THR 59 Ca 0.36 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.88 1oww s THR 59 Cb 0.06 -0.78 -0.07 0.00 0.01 0.00 0.00 72.50 71.72 1oww s THR 59 CO 0.16 -0.21 0.58 -0.63 -0.69 0.00 0.00 174.62 173.84 1oww s ILE 60 N 2.00 4.78 0.08 1.82 1.01 -0.90 -4.95 121.20 125.03 1oww s ILE 60 Ca 0.01 1.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.55 1oww s ILE 60 Cb -0.16 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1oww s ILE 60 CO -0.08 0.33 0.28 -1.59 0.00 0.00 0.00 174.94 173.88 1oww s LYS 61 N -1.71 0.88 -0.12 2.79 0.00 -1.26 -1.47 119.74 118.85 1oww s LYS 61 Ca 0.36 -0.74 -0.00 0.00 0.00 0.00 0.00 55.97 55.59 1oww s LYS 61 Cb -0.17 0.37 -0.01 0.00 0.00 0.00 0.00 37.83 38.03 1oww s LYS 61 CO 0.19 -0.30 0.11 0.41 0.00 0.00 0.00 175.35 175.76 1oww n GLY 62 N 0.14 0.57 0.00 0.59 0.00 -1.07 -4.97 105.19 100.45 1oww n GLY 62 Ca -0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.58 0.00 -4.19 0.99 4.77 -0.45 -5.05 117.00 111.49 1oww n LEU 63 Ca -0.02 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1oww n LEU 63 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1oww n LEU 63 CO 0.07 -0.01 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.14 1oww s LYS 64 N 1.02 0.88 0.68 3.23 1.02 -1.26 -4.64 119.74 120.67 1oww s LYS 64 Ca 0.00 -1.11 -0.11 0.00 0.02 0.00 0.00 55.97 54.77 1oww s LYS 64 Cb 0.00 -0.72 -0.00 0.00 -0.52 0.00 0.00 37.83 36.59 1oww s LYS 64 CO 0.00 0.14 1.07 -1.25 -0.92 0.00 0.00 175.35 174.38 1oww s PRO 65 N -2.41 3.11 -1.82 -1.68 0.04 -0.98 -4.39 135.00 126.87 1oww s PRO 65 Ca 0.04 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1oww s PRO 65 Cb -0.06 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1oww s PRO 65 CO 0.02 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1oww n GLY 66 N -2.79 0.27 3.17 0.56 0.00 -0.76 -4.90 105.19 100.75 1oww n GLY 66 Ca 0.07 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.91 1.32 -0.17 1.61 0.11 -1.17 -5.04 120.40 114.15 1oww s VAL 67 Ca 0.00 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 58.00 1oww s VAL 67 Cb 0.00 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 1oww s VAL 67 CO 0.00 0.22 0.33 0.54 -3.33 0.00 0.00 175.10 172.85 1oww s VAL 68 N -0.62 5.27 0.06 2.04 0.11 -1.26 -2.55 120.40 123.45 1oww s VAL 68 Ca 0.05 0.60 0.03 0.00 -2.93 0.00 0.00 61.98 59.74 1oww s VAL 68 Cb -0.07 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1oww s VAL 68 CO 0.01 0.34 0.02 -0.31 -3.33 0.00 0.00 175.10 171.83 1oww s TYR 69 N 0.75 3.06 -0.10 1.54 2.02 -0.47 -1.58 117.35 122.57 1oww s TYR 69 Ca 0.17 0.03 -0.08 0.00 -0.37 0.00 0.00 57.07 56.82 1oww s TYR 69 Cb -0.14 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1oww s TYR 69 CO 0.05 0.48 0.18 -1.83 -1.57 0.00 0.00 175.55 172.87 1oww s GLU 70 N -2.11 3.51 0.09 -0.62 -1.05 -0.26 -1.85 118.70 116.41 1oww s GLU 70 Ca 0.25 -0.05 0.04 0.00 -0.15 0.00 0.00 54.97 55.06 1oww s GLU 70 Cb -0.12 -3.19 -0.03 0.00 -0.44 0.00 0.00 34.13 30.35 1oww s GLU 70 CO 0.17 0.77 -0.12 0.20 0.95 0.00 0.00 175.26 177.23 1oww s GLY 71 N -1.04 0.87 -0.02 -3.83 0.00 -0.85 -1.34 107.32 101.10 1oww s GLY 71 Ca 0.16 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1oww s GLY 71 CO 0.06 -1.18 -0.05 1.20 0.00 0.00 0.00 173.10 173.13 1oww s GLN 72 N -2.38 0.53 -0.36 2.90 -0.21 -0.72 -2.11 119.66 117.32 1oww s GLN 72 Ca 0.03 -0.14 -0.02 0.00 0.02 0.00 0.00 55.36 55.24 1oww s GLN 72 Cb -0.06 -0.55 0.09 0.00 1.00 0.00 0.00 33.01 33.49 1oww s GLN 72 CO 0.01 0.04 0.12 -1.17 -2.12 0.00 0.00 175.29 172.17 1oww s LEU 73 N 0.27 4.75 -0.22 2.90 2.96 -0.75 -0.71 118.68 127.87 1oww s LEU 73 Ca -0.03 -1.79 -0.08 0.00 -0.22 0.00 0.00 54.13 52.00 1oww s LEU 73 Cb -0.07 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1oww s LEU 73 CO -0.00 -0.43 0.10 -0.63 -1.32 0.00 0.00 176.35 174.06 1oww s ILE 74 N 1.15 4.82 -0.22 6.68 1.01 -0.26 -1.53 121.20 132.85 1oww s ILE 74 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 1oww s ILE 74 Cb -0.21 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 1oww s ILE 74 CO -0.04 0.38 -0.01 -0.44 0.00 0.00 0.00 174.94 174.83 1oww s SER 75 N 1.00 4.54 -0.13 3.58 0.01 -0.60 -0.65 113.70 121.45 1oww s SER 75 Ca 0.05 -0.33 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 1oww s SER 75 Cb -0.14 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1oww s SER 75 CO 0.03 -0.01 0.14 -0.63 0.41 0.00 0.00 173.24 173.19 1oww s ILE 76 N 1.43 5.48 -0.19 1.44 1.09 -1.02 -1.13 121.20 128.30 1oww s ILE 76 Ca 0.05 0.22 -0.07 0.00 -1.10 0.00 0.00 60.65 59.75 1oww s ILE 76 Cb -0.14 -3.42 -0.04 0.00 -1.06 0.00 0.00 42.46 37.80 1oww s ILE 76 CO -0.01 0.59 0.05 -1.58 -0.10 0.00 0.00 174.94 173.89 1oww s GLN 77 N -0.81 3.86 -0.21 2.79 0.74 -0.61 -1.66 119.66 123.76 1oww s GLN 77 Ca 0.14 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.86 1oww s GLN 77 Cb -0.12 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 1oww s GLN 77 CO 0.03 0.17 1.69 -1.14 -0.55 0.00 0.00 175.29 175.49 1oww s GLN 78 N 0.63 3.75 -1.19 1.67 2.00 -1.26 -2.27 119.66 123.00 1oww s GLN 78 Ca 0.02 1.73 -0.01 0.00 -2.00 0.00 0.00 55.36 55.11 1oww s GLN 78 Cb -0.13 -4.07 -0.01 0.00 0.80 0.00 0.00 33.01 29.59 1oww s GLN 78 CO 0.02 -1.35 0.96 0.66 -0.50 0.00 0.00 175.29 175.07 1oww n TYR 79 N 8.69 -2.20 0.00 1.67 4.01 -1.26 -4.91 117.16 123.16 1oww n TYR 79 Ca 0.20 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.85 1oww n TYR 79 Cb 0.45 -4.86 0.00 0.00 -0.31 0.00 0.00 39.34 34.62 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 -1.19 1.34 3.90 2.72 0.00 -0.96 -5.17 105.19 105.83 1oww n GLY 80 Ca -0.25 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1oww n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oww s HIS 81 N 2.17 3.24 -0.02 1.61 5.65 -1.25 -4.88 115.29 121.81 1oww s HIS 81 Ca 0.00 0.86 -0.00 0.00 0.25 0.00 0.00 55.06 56.17 1oww s HIS 81 Cb 0.00 -3.03 0.03 0.00 -1.18 0.00 0.00 32.58 28.40 1oww s HIS 81 CO 0.00 -1.16 0.03 -0.65 -0.65 0.00 0.00 174.74 172.31 1oww s GLN 82 N -5.27 -0.04 0.14 2.88 -0.21 -1.26 -1.57 119.66 114.32 1oww s GLN 82 Ca 0.57 0.21 0.02 0.00 0.02 0.00 0.00 55.36 56.19 1oww s GLN 82 Cb -0.11 -0.29 -0.04 0.00 1.00 0.00 0.00 33.01 33.58 1oww s GLN 82 CO 0.49 -0.19 0.28 -1.21 -2.12 0.00 0.00 175.29 172.54 1oww s GLU 83 N 1.22 3.44 -0.02 2.91 2.02 -0.29 -4.97 118.70 123.03 1oww s GLU 83 Ca -0.07 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.37 1oww s GLU 83 Cb -0.13 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.14 1oww s GLU 83 CO -0.03 0.53 -0.05 0.54 0.02 0.00 0.00 175.26 176.27 1oww s VAL 84 N -1.72 0.47 0.00 2.63 0.11 -1.26 -1.56 120.40 119.06 1oww s VAL 84 Ca 0.35 -0.18 0.08 0.00 -2.93 0.00 0.00 61.98 59.29 1oww s VAL 84 Cb -0.11 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 1oww s VAL 84 CO 0.28 0.16 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.09 1oww s THR 85 N 0.31 1.87 -0.01 5.04 2.01 -0.59 -4.26 115.64 120.01 1oww s THR 85 Ca -0.04 -1.10 0.03 0.00 0.31 0.00 0.00 61.69 60.90 1oww s THR 85 Cb -0.07 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1oww s THR 85 CO -0.00 0.45 -0.11 -0.60 -0.69 0.00 0.00 174.62 173.67 1oww s ARG 86 N -0.77 0.90 0.35 4.92 3.52 -1.26 -1.81 118.95 124.80 1oww s ARG 86 Ca 0.09 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1oww s ARG 86 Cb -0.09 -0.86 -0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1oww s ARG 86 CO 0.00 0.22 0.44 -0.59 -0.81 0.00 0.00 175.30 174.56 1oww s PHE 87 N -0.19 1.27 0.12 5.12 -0.12 -0.90 -5.03 117.98 118.25 1oww s PHE 87 Ca 0.03 -1.42 0.07 0.00 -0.05 0.00 0.00 56.93 55.56 1oww s PHE 87 Cb -0.05 -0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 1oww s PHE 87 CO -0.00 -1.11 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.39 1oww s ASP 88 N -3.29 2.15 0.16 1.98 1.01 -1.26 -2.01 116.67 115.41 1oww s ASP 88 Ca 0.33 -0.76 -0.05 0.00 0.71 0.00 0.00 52.55 52.79 1oww s ASP 88 Cb -0.00 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 1oww s ASP 88 CO 0.23 -0.07 0.18 0.72 0.21 0.00 0.00 175.17 176.44 1oww s PHE 89 N -1.77 0.71 0.02 4.23 -0.71 -0.77 -4.94 117.98 114.75 1oww s PHE 89 Ca 0.07 -1.05 0.08 0.00 -1.04 0.00 0.00 56.93 54.99 1oww s PHE 89 Cb -0.07 -0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.42 1oww s PHE 89 CO 0.04 -0.64 -0.23 0.95 -1.34 0.00 0.00 175.22 173.99 1oww s THR 90 N -4.03 2.36 -0.25 -4.49 -4.23 -1.26 -1.37 115.64 102.37 1oww s THR 90 Ca 0.24 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1oww s THR 90 Cb 0.05 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 72.02 1oww s THR 90 CO 0.03 0.42 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.54 1oww s THR 91 N -0.79 2.39 0.00 3.99 2.01 -1.06 -4.84 115.64 117.34 1oww s THR 91 Ca 0.12 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1oww s THR 91 Cb -0.10 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1oww s THR 91 CO 0.02 0.13 0.00 1.07 -0.69 0.00 0.00 174.62 175.15 1oww n THR 92 N 4.54 0.00 -0.30 -0.82 5.66 -1.26 -1.82 114.28 120.27 1oww n THR 92 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1oww n THR 92 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 1oww n THR 92 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48