#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oww n GLY 2 N 0.00 2.32 3.77 5.00 0.00 -1.26 -5.09 105.19 109.92 1oww n GLY 2 Ca 0.00 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.58 4.18 0.51 1.61 0.02 -1.26 -4.97 135.00 133.50 1oww s PRO 3 Ca 0.00 2.47 -0.18 0.00 0.02 0.00 0.00 61.00 63.31 1oww s PRO 3 Cb 0.00 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.42 1oww s PRO 3 CO 0.00 -0.48 1.00 0.08 -0.33 0.00 0.00 177.00 177.28 1oww s VAL 4 N -0.70 4.20 -0.83 3.83 1.01 -1.26 -4.99 120.40 121.66 1oww s VAL 4 Ca 0.55 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 63.55 1oww s VAL 4 Cb -0.45 -3.57 0.18 0.00 0.00 0.00 0.00 36.38 32.54 1oww s VAL 4 CO 0.55 -0.48 0.87 -1.61 0.00 0.00 0.00 175.10 174.43 1oww s GLU 5 N -3.71 3.53 -0.15 2.72 2.02 -0.74 -4.92 118.70 117.45 1oww s GLU 5 Ca 0.62 -2.11 -0.03 0.00 0.02 0.00 0.00 54.97 53.48 1oww s GLU 5 Cb -0.12 -4.56 -0.02 0.00 0.10 0.00 0.00 34.13 29.52 1oww s GLU 5 CO 0.26 -1.47 -0.06 0.54 0.02 0.00 0.00 175.26 174.56 1oww s VAL 6 N 1.25 3.69 0.10 2.63 0.11 -1.26 -1.10 120.40 125.82 1oww s VAL 6 Ca 0.21 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 1oww s VAL 6 Cb -0.10 -2.61 -0.04 0.00 -1.53 0.00 0.00 36.38 32.10 1oww s VAL 6 CO -0.07 0.50 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.74 1oww s PHE 7 N 0.42 1.02 -0.41 1.54 0.08 -0.82 -5.01 117.98 114.80 1oww s PHE 7 Ca -0.05 -0.68 -0.05 0.00 0.12 0.00 0.00 56.93 56.26 1oww s PHE 7 Cb -0.15 -0.56 0.10 0.00 -0.57 0.00 0.00 43.02 41.84 1oww s PHE 7 CO 0.03 -0.02 0.22 0.42 -0.10 0.00 0.00 175.22 175.77 1oww s ILE 8 N -2.57 3.66 0.15 0.64 -1.09 -1.26 -3.14 121.20 117.58 1oww s ILE 8 Ca 0.06 -1.76 -0.21 0.00 -2.23 0.00 0.00 60.65 56.51 1oww s ILE 8 Cb -0.02 -3.37 0.06 0.00 -1.58 0.00 0.00 42.46 37.55 1oww s ILE 8 CO -0.01 -0.59 0.55 0.28 -1.23 0.00 0.00 174.94 173.95 1oww s THR 9 N 1.27 0.02 0.00 2.92 -1.32 -1.26 -4.96 115.64 112.30 1oww s THR 9 Ca 0.05 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1oww s THR 9 Cb -0.23 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.72 1oww s THR 9 CO -0.02 -0.08 0.00 1.21 -2.21 0.00 0.00 174.62 173.52 1oww n GLU 10 N -0.31 0.00 -3.18 7.08 2.13 -1.26 -4.64 120.64 120.46 1oww n GLU 10 Ca -0.17 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.58 1oww n GLU 10 Cb 0.64 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.32 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 0.00 -0.71 -0.18 6.31 -1.32 -1.26 -5.01 115.64 113.47 1oww s THR 11 Ca 0.00 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 1oww s THR 11 Cb 0.00 -0.28 0.18 0.00 -1.51 0.00 0.00 72.50 70.89 1oww s THR 11 CO 0.00 -0.26 1.64 -0.81 -2.21 0.00 0.00 174.62 172.98 1oww n PRO 12 N 3.97 1.46 -2.22 7.08 -0.04 -1.26 -3.99 135.00 140.00 1oww n PRO 12 Ca 0.14 -0.99 -0.22 0.00 -0.04 0.00 0.00 63.50 62.38 1oww n PRO 12 Cb 0.53 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1oww n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1oww n SER 13 N 0.35 4.44 -3.71 3.54 7.64 -1.26 -4.85 113.62 119.77 1oww n SER 13 Ca 0.19 -3.54 -0.26 0.00 1.01 0.00 0.00 58.87 56.28 1oww n SER 13 Cb 0.72 -0.39 -0.17 0.00 -1.01 0.00 0.00 64.21 63.36 1oww n SER 13 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1oww s GLN 14 N -3.59 0.45 0.00 1.43 -1.52 -1.26 -5.00 119.66 110.17 1oww s GLN 14 Ca 0.47 -0.16 0.26 0.00 -1.95 0.00 0.00 55.36 53.99 1oww s GLN 14 Cb 0.40 -1.66 0.68 0.00 -0.22 0.00 0.00 33.01 32.21 1oww s GLN 14 CO -0.02 -0.54 1.52 -0.35 -0.25 0.00 0.00 175.29 175.65 1oww n PRO 15 N 5.15 0.42 -0.11 2.91 -0.04 -1.26 -4.29 135.00 137.78 1oww n PRO 15 Ca -0.08 -0.24 -0.16 0.00 -0.04 0.00 0.00 63.50 62.98 1oww n PRO 15 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.08 2.21 -4.67 3.54 6.94 -1.26 -3.76 115.26 117.17 1oww n ASN 16 Ca 0.09 -0.08 -0.27 0.00 -0.02 0.00 0.00 54.58 54.30 1oww n ASN 16 Cb 0.34 -0.39 -0.08 0.00 -2.36 0.00 0.00 39.78 37.29 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 -6.26 4.84 -0.31 0.53 1.04 -1.26 -1.38 113.70 110.89 1oww s SER 17 Ca -0.30 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 1oww s SER 17 Cb 0.08 -1.06 0.10 0.00 0.10 0.00 0.00 66.02 65.25 1oww s SER 17 CO 0.51 0.11 0.13 -2.28 0.98 0.00 0.00 173.24 172.68 1oww s HIS 18 N -1.63 0.89 0.05 5.02 2.46 -0.33 -4.58 115.29 117.16 1oww s HIS 18 Ca 0.27 -1.29 -0.30 0.00 0.47 0.00 0.00 55.06 54.21 1oww s HIS 18 Cb -0.10 -1.22 -0.05 0.00 -0.13 0.00 0.00 32.58 31.09 1oww s HIS 18 CO 0.19 -0.85 1.11 -1.25 -2.47 0.00 0.00 174.74 171.47 1oww s PRO 19 N 1.79 4.49 0.05 2.88 0.04 -1.26 -2.17 135.00 140.82 1oww s PRO 19 Ca 0.10 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1oww s PRO 19 Cb -0.17 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1oww s PRO 19 CO -0.29 -0.15 0.02 0.42 0.04 0.00 0.00 177.00 177.04 1oww s ILE 20 N 0.95 4.19 0.01 0.56 -1.09 -1.11 -4.39 121.20 120.31 1oww s ILE 20 Ca 0.55 -0.80 -0.14 0.00 -2.23 0.00 0.00 60.65 58.04 1oww s ILE 20 Cb -0.26 -2.95 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1oww s ILE 20 CO 0.29 0.21 0.30 0.00 -1.23 0.00 0.00 174.94 174.52 1oww s GLN 21 N -2.05 0.73 0.19 2.79 -2.07 -1.19 -1.12 119.66 116.94 1oww s GLN 21 Ca 0.24 -0.34 -0.08 0.00 -1.82 0.00 0.00 55.36 53.36 1oww s GLN 21 Cb -0.12 0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 32.11 1oww s GLN 21 CO 0.16 -0.22 0.30 1.67 -1.32 0.00 0.00 175.29 175.88 1oww s TRP 22 N -1.91 0.52 -0.02 9.60 -2.14 -0.81 -1.95 118.94 122.22 1oww s TRP 22 Ca -0.10 -0.86 0.00 0.00 2.66 0.00 0.00 56.10 57.81 1oww s TRP 22 Cb -0.03 -0.09 0.02 0.00 -3.10 0.00 0.00 33.47 30.27 1oww s TRP 22 CO 0.01 -0.76 0.01 -0.80 -2.66 0.00 0.00 176.95 172.74 1oww s ASN 23 N -3.01 0.23 0.66 -2.66 0.01 -0.26 -4.78 114.94 105.14 1oww s ASN 23 Ca 0.22 -0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1oww s ASN 23 Cb 0.03 -0.12 0.10 0.00 0.41 0.00 0.00 41.25 41.67 1oww s ASN 23 CO 0.04 -0.08 0.92 0.00 -1.51 0.00 0.00 177.10 176.47 1oww s ALA 24 N 0.77 3.82 0.99 0.60 0.00 -1.26 -1.79 121.76 124.89 1oww s ALA 24 Ca -0.07 -1.63 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 1oww s ALA 24 Cb -0.10 -2.00 0.19 0.00 0.00 0.00 0.00 23.12 21.21 1oww s ALA 24 CO -0.02 -1.22 1.09 -2.14 0.00 0.00 0.00 175.76 173.47 1oww s PRO 25 N -5.01 0.44 -0.02 0.00 0.02 -1.26 -4.94 135.00 124.23 1oww s PRO 25 Ca 0.63 1.06 -0.18 0.00 0.02 0.00 0.00 61.00 62.53 1oww s PRO 25 Cb -0.07 -1.70 -0.33 0.00 0.02 0.00 0.00 34.50 32.43 1oww s PRO 25 CO 0.42 -2.87 0.89 0.37 -0.33 0.00 0.00 177.00 175.48 1oww h GLN 26 N -2.02 0.40 0.00 5.54 5.75 -2.03 -3.16 115.11 119.59 1oww h GLN 26 Ca -0.52 -0.68 0.00 0.00 -0.15 0.00 0.00 58.65 57.30 1oww h GLN 26 Cb 1.30 0.25 0.00 0.00 1.07 0.00 0.00 27.48 30.10 1oww h GLN 26 CO 0.49 1.33 0.00 -1.35 -2.65 0.00 0.00 178.83 176.65 1oww h PRO 27 N -0.13 0.00 -4.72 -2.39 0.11 -2.03 -3.48 132.00 119.36 1oww h PRO 27 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1oww h PRO 27 Cb 1.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.00 1oww h PRO 27 CO 0.19 0.00 -0.33 0.45 -0.21 0.00 0.00 178.00 178.11 1oww n SER 28 N -2.53 -6.48 -0.18 -2.05 2.88 -1.20 -4.96 113.62 99.10 1oww n SER 28 Ca 0.02 0.35 0.12 0.00 -1.33 0.00 0.00 58.87 58.03 1oww n SER 28 Cb 0.25 -4.31 0.28 0.00 -0.75 0.00 0.00 64.21 59.68 1oww n SER 28 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1oww n HIS 29 N -0.51 0.00 -4.52 0.66 -0.00 -1.26 -4.87 115.22 104.73 1oww n HIS 29 Ca 0.08 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.95 1oww n HIS 29 Cb 0.37 -0.14 -0.11 0.00 -0.12 0.00 0.00 29.99 29.98 1oww n HIS 29 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1oww s ILE 30 N -2.67 3.19 0.00 3.57 1.01 -1.26 -4.46 121.20 120.58 1oww s ILE 30 Ca 0.19 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1oww s ILE 30 Cb 0.18 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1oww s ILE 30 CO 0.60 0.32 0.00 -0.24 0.00 0.00 0.00 174.94 175.62 1oww n SER 31 N 1.42 0.00 -4.94 3.58 2.88 -0.09 -4.88 113.62 111.58 1oww n SER 31 Ca -0.15 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.15 1oww n SER 31 Cb 0.52 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1oww n SER 31 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1oww s LYS 32 N 0.00 2.67 0.01 -1.46 1.02 -0.46 -4.07 119.74 117.45 1oww s LYS 32 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1oww s LYS 32 Cb 0.00 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1oww s LYS 32 CO 0.00 -0.74 -0.08 0.71 -0.92 0.00 0.00 175.35 174.32 1oww s TYR 33 N -2.89 0.69 -0.06 3.18 2.02 -0.98 -1.90 117.35 117.40 1oww s TYR 33 Ca 0.55 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 57.08 1oww s TYR 33 Cb -0.10 -0.43 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 1oww s TYR 33 CO 0.42 -0.02 -0.21 0.42 -1.57 0.00 0.00 175.55 174.59 1oww s ILE 34 N -0.49 1.74 -0.13 2.71 1.01 0.35 -1.06 121.20 125.33 1oww s ILE 34 Ca -0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1oww s ILE 34 Cb -0.05 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1oww s ILE 34 CO 0.00 0.49 -0.07 -0.76 0.00 0.00 0.00 174.94 174.60 1oww s LEU 35 N 0.02 3.07 0.24 2.97 1.43 -0.46 -0.85 118.68 125.09 1oww s LEU 35 Ca -0.06 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 1oww s LEU 35 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1oww s LEU 35 CO 0.04 0.20 -0.10 -0.13 0.23 0.00 0.00 176.35 176.59 1oww s ARG 36 N 0.18 2.01 -0.15 1.70 3.00 0.10 -0.71 118.95 125.08 1oww s ARG 36 Ca -0.04 -1.46 -0.12 0.00 0.00 0.00 0.00 55.73 54.11 1oww s ARG 36 Cb -0.14 -2.04 0.05 0.00 0.00 0.00 0.00 34.95 32.81 1oww s ARG 36 CO 0.04 0.38 0.40 1.67 0.00 0.00 0.00 175.30 177.78 1oww s TRP 37 N -2.11 -0.49 -0.01 -0.53 -2.14 -0.94 -2.24 118.94 110.47 1oww s TRP 37 Ca 0.28 1.13 0.01 0.00 2.66 0.00 0.00 56.10 60.18 1oww s TRP 37 Cb -0.07 0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.49 1oww s TRP 37 CO 0.16 -0.26 -0.02 0.50 -2.66 0.00 0.00 176.95 174.68 1oww s ARG 38 N 0.65 0.31 0.56 3.25 3.52 -0.69 -2.24 118.95 124.32 1oww s ARG 38 Ca -0.04 -0.05 -0.16 0.00 -0.13 0.00 0.00 55.73 55.36 1oww s ARG 38 Cb -0.05 -0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 32.91 1oww s ARG 38 CO -0.04 -0.01 1.02 -1.25 -0.81 0.00 0.00 175.30 174.21 1oww s PRO 39 N 0.37 3.61 -1.06 5.12 0.04 -1.26 -1.23 135.00 140.58 1oww s PRO 39 Ca -0.04 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1oww s PRO 39 Cb -0.07 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 1oww s PRO 39 CO -0.01 -0.56 2.27 1.63 0.04 0.00 0.00 177.00 180.38 1oww n LYS 40 N -1.92 2.40 0.15 4.56 4.76 -0.90 -2.80 118.16 124.42 1oww n LYS 40 Ca 0.07 -1.65 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 1oww n LYS 40 Cb 0.53 -2.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1oww n LYS 40 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1oww n ASN 41 N 4.28 -2.30 -4.90 4.39 4.13 -1.26 -4.99 115.26 114.61 1oww n ASN 41 Ca 0.52 0.58 -0.28 0.00 1.68 0.00 0.00 54.58 57.08 1oww n ASN 41 Cb 0.17 2.28 0.01 0.00 -1.54 0.00 0.00 39.78 40.70 1oww n ASN 41 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1oww s SER 42 N -2.81 6.15 0.00 6.41 0.01 -1.12 -5.00 113.70 117.33 1oww s SER 42 Ca 0.00 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1oww s SER 42 Cb 0.00 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.01 1oww s SER 42 CO 0.00 -0.73 0.09 1.33 0.41 0.00 0.00 173.24 174.35 1oww n VAL 43 N -2.43 0.00 0.00 3.43 0.24 -1.26 -4.72 118.33 113.59 1oww n VAL 43 Ca 0.02 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1oww n VAL 43 Cb 0.55 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 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 0.23 -0.01 3.69 7.63 0.00 -1.26 -5.07 105.19 110.40 1oww n GLY 44 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.35 4.43 0.30 1.61 3.52 -1.26 -5.00 118.95 121.20 1oww s ARG 45 Ca 0.00 1.32 -0.08 0.00 -0.13 0.00 0.00 55.73 56.84 1oww s ARG 45 Cb 0.00 -3.53 0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1oww s ARG 45 CO 0.00 -0.26 0.54 -2.67 -0.81 0.00 0.00 175.30 172.11 1oww n TRP 46 N 4.80 -1.79 -4.26 5.12 4.27 -1.26 -4.69 117.44 119.62 1oww n TRP 46 Ca 0.07 -1.61 -0.15 0.00 -3.89 0.00 0.00 57.50 51.92 1oww n TRP 46 Cb 0.49 0.63 -0.10 0.00 -1.36 0.00 0.00 31.31 30.97 1oww n TRP 46 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1oww s LYS 47 N -2.27 1.10 0.10 -2.67 1.02 -0.95 -5.05 119.74 111.02 1oww s LYS 47 Ca 0.16 -1.47 -0.11 0.00 0.02 0.00 0.00 55.97 54.57 1oww s LYS 47 Cb -0.03 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 1oww s LYS 47 CO 0.12 0.09 0.27 -1.83 -0.92 0.00 0.00 175.35 173.08 1oww s GLU 48 N -3.71 0.92 0.05 1.68 -1.05 -1.26 -2.21 118.70 113.11 1oww s GLU 48 Ca 0.17 -0.86 -0.02 0.00 -0.15 0.00 0.00 54.97 54.12 1oww s GLU 48 Cb 0.02 0.39 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1oww s GLU 48 CO 0.02 -0.32 0.01 0.00 0.95 0.00 0.00 175.26 175.92 1oww s ALA 49 N -3.80 0.30 -0.13 -0.84 0.00 0.12 -5.00 121.76 112.41 1oww s ALA 49 Ca 0.04 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1oww s ALA 49 Cb 0.04 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1oww s ALA 49 CO -0.11 -0.35 -0.21 0.99 0.00 0.00 0.00 175.76 176.08 1oww s THR 50 N -3.41 2.25 -0.10 0.00 2.01 -1.26 -1.36 115.64 113.78 1oww s THR 50 Ca 0.02 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.11 1oww s THR 50 Cb 0.04 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 1oww s THR 50 CO -0.08 0.54 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.62 1oww s ILE 51 N 0.63 3.01 1.11 1.82 1.09 -0.22 -5.00 121.20 123.63 1oww s ILE 51 Ca -0.11 -0.70 -0.13 0.00 -1.10 0.00 0.00 60.65 58.61 1oww s ILE 51 Cb -0.16 -2.22 0.25 0.00 -1.06 0.00 0.00 42.46 39.26 1oww s ILE 51 CO 0.02 0.55 1.05 -2.84 -0.10 0.00 0.00 174.94 173.63 1oww s PRO 52 N -0.07 -0.46 0.45 2.79 0.02 -1.26 -2.33 135.00 134.13 1oww s PRO 52 Ca -0.03 0.76 0.25 0.00 0.02 0.00 0.00 61.00 62.00 1oww s PRO 52 Cb -0.14 -1.61 0.52 0.00 0.02 0.00 0.00 34.50 33.29 1oww s PRO 52 CO 0.04 -3.39 1.68 0.78 -0.33 0.00 0.00 177.00 175.77 1oww h GLY 53 N -2.38 0.00 1.62 0.52 0.00 -1.92 -3.15 103.07 97.75 1oww h GLY 53 Ca -0.59 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.54 1oww h GLY 53 CO 0.52 0.00 -1.10 1.12 0.00 0.00 0.00 176.54 177.08 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 0.91 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.83 1oww h HIS 54 CO 0.00 0.81 -0.01 -0.51 -3.07 0.00 0.00 177.93 175.16 1oww s LEU 55 N -6.37 4.31 -0.00 6.12 1.43 -1.19 -4.95 118.68 118.04 1oww s LEU 55 Ca -0.00 1.05 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1oww s LEU 55 Cb 0.09 -2.92 0.11 0.00 0.03 0.00 0.00 46.19 43.49 1oww s LEU 55 CO 0.80 -0.05 1.09 -0.46 0.23 0.00 0.00 176.35 177.96 1oww n ASN 56 N 3.63 2.32 -4.11 2.29 6.94 -1.26 -4.66 115.26 120.42 1oww n ASN 56 Ca -0.04 -2.02 -0.10 0.00 -0.02 0.00 0.00 54.58 52.39 1oww n ASN 56 Cb 0.51 -0.09 -0.09 0.00 -2.36 0.00 0.00 39.78 37.76 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 -1.03 0.14 0.36 0.53 1.04 -1.26 -1.93 113.70 111.55 1oww s SER 57 Ca 0.08 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.23 1oww s SER 57 Cb 0.05 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1oww s SER 57 CO 0.05 -0.86 0.67 -0.47 0.98 0.00 0.00 173.24 173.61 1oww s TYR 58 N -4.07 0.46 -0.15 5.02 5.04 -0.27 -4.98 117.35 118.39 1oww s TYR 58 Ca 0.28 -0.96 -0.04 0.00 -2.44 0.00 0.00 57.07 53.91 1oww s TYR 58 Cb 0.05 0.49 0.07 0.00 0.35 0.00 0.00 41.96 42.93 1oww s TYR 58 CO 0.06 -1.39 0.21 0.99 -1.34 0.00 0.00 175.55 174.08 1oww s THR 59 N -2.66 -0.33 -0.67 4.34 2.01 -1.26 -2.77 115.64 114.31 1oww s THR 59 Ca 0.21 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.14 1oww s THR 59 Cb -0.03 -0.52 0.14 0.00 0.01 0.00 0.00 72.50 72.09 1oww s THR 59 CO 0.15 -0.04 0.70 -0.63 -0.69 0.00 0.00 174.62 174.11 1oww s ILE 60 N 2.34 5.11 0.27 1.82 1.01 -0.92 -4.94 121.20 125.89 1oww s ILE 60 Ca 0.05 -1.55 0.05 0.00 0.00 0.00 0.00 60.65 59.20 1oww s ILE 60 Cb -0.14 -4.47 -0.02 0.00 0.01 0.00 0.00 42.46 37.84 1oww s ILE 60 CO -0.10 -1.07 0.40 -1.59 0.00 0.00 0.00 174.94 172.59 1oww s LYS 61 N 1.77 3.33 0.00 2.79 0.00 -1.26 -1.19 119.74 125.19 1oww s LYS 61 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 55.97 55.26 1oww s LYS 61 Cb -0.21 -2.86 0.00 0.00 0.00 0.00 0.00 37.83 34.76 1oww s LYS 61 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 175.35 176.07 1oww n GLY 62 N -1.49 0.57 3.58 0.59 0.00 -1.10 -4.98 105.19 102.35 1oww n GLY 62 Ca -0.06 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.83 2.81 0.22 0.99 1.43 -0.48 -5.07 118.68 116.75 1oww s LEU 63 Ca 0.00 -1.19 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 1oww s LEU 63 Cb 0.00 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1oww s LEU 63 CO 0.00 -0.27 0.39 -0.54 0.23 0.00 0.00 176.35 176.16 1oww s LYS 64 N -3.65 3.48 0.57 1.70 1.02 -1.26 -4.54 119.74 117.06 1oww s LYS 64 Ca 0.34 -0.47 -0.15 0.00 0.02 0.00 0.00 55.97 55.70 1oww s LYS 64 Cb 0.04 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 1oww s LYS 64 CO 0.17 0.39 1.02 -1.25 -0.92 0.00 0.00 175.35 174.77 1oww s PRO 65 N -3.60 3.59 -1.82 -1.68 0.04 -1.25 -4.34 135.00 125.94 1oww s PRO 65 Ca 0.37 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1oww s PRO 65 Cb -0.10 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1oww s PRO 65 CO 0.30 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1oww n GLY 66 N -1.53 -0.27 3.25 0.56 0.00 -0.66 -4.97 105.19 101.57 1oww n GLY 66 Ca 0.07 -0.01 -0.29 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 -3.02 1.81 -0.13 1.61 0.11 -0.83 -4.97 120.40 114.98 1oww s VAL 67 Ca 0.00 -0.97 -0.11 0.00 -2.93 0.00 0.00 61.98 57.97 1oww s VAL 67 Cb 0.00 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 33.29 1oww s VAL 67 CO 0.00 0.51 0.23 0.54 -3.33 0.00 0.00 175.10 173.05 1oww s VAL 68 N -0.44 5.35 0.18 2.04 0.11 -1.26 -2.17 120.40 124.20 1oww s VAL 68 Ca 0.06 0.41 0.09 0.00 -2.93 0.00 0.00 61.98 59.61 1oww s VAL 68 Cb -0.10 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 1oww s VAL 68 CO -0.00 0.51 -0.09 -0.31 -3.33 0.00 0.00 175.10 171.88 1oww s TYR 69 N -0.31 2.64 0.01 1.54 2.02 -0.39 -2.12 117.35 120.75 1oww s TYR 69 Ca 0.15 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 1oww s TYR 69 Cb -0.13 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 1oww s TYR 69 CO 0.04 0.51 0.34 -1.83 -1.57 0.00 0.00 175.55 173.05 1oww s GLU 70 N -2.83 3.75 0.02 -0.62 -1.05 -0.37 -2.11 118.70 115.49 1oww s GLU 70 Ca 0.25 0.19 0.03 0.00 -0.15 0.00 0.00 54.97 55.30 1oww s GLU 70 Cb -0.09 -3.13 -0.01 0.00 -0.44 0.00 0.00 34.13 30.46 1oww s GLU 70 CO 0.15 0.66 -0.11 0.20 0.95 0.00 0.00 175.26 177.12 1oww s GLY 71 N -1.36 0.57 -0.03 -3.83 0.00 -0.90 -1.71 107.32 100.07 1oww s GLY 71 Ca 0.26 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.38 1oww s GLY 71 CO 0.14 -0.57 -0.03 1.20 0.00 0.00 0.00 173.10 173.83 1oww s GLN 72 N -0.76 0.55 -0.45 2.90 -0.21 -0.95 -1.99 119.66 118.75 1oww s GLN 72 Ca 0.01 -0.07 -0.02 0.00 0.02 0.00 0.00 55.36 55.30 1oww s GLN 72 Cb -0.06 -0.60 0.12 0.00 1.00 0.00 0.00 33.01 33.47 1oww s GLN 72 CO 0.00 -0.04 0.24 -1.17 -2.12 0.00 0.00 175.29 172.20 1oww s LEU 73 N 0.66 5.17 -0.16 2.90 2.96 -0.63 -0.72 118.68 128.85 1oww s LEU 73 Ca -0.08 -2.25 -0.21 0.00 -0.22 0.00 0.00 54.13 51.37 1oww s LEU 73 Cb -0.11 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1oww s LEU 73 CO -0.00 -0.48 0.64 -0.63 -1.32 0.00 0.00 176.35 174.55 1oww s ILE 74 N 0.82 5.03 -0.26 6.68 1.09 -0.03 -1.69 121.20 132.84 1oww s ILE 74 Ca 0.11 1.23 0.03 0.00 -1.10 0.00 0.00 60.65 60.92 1oww s ILE 74 Cb -0.22 -3.96 0.06 0.00 -1.06 0.00 0.00 42.46 37.28 1oww s ILE 74 CO -0.04 0.15 -0.09 -0.94 -0.10 0.00 0.00 174.94 173.92 1oww s SER 75 N 1.06 4.36 -0.10 3.58 1.04 -0.37 -0.50 113.70 122.78 1oww s SER 75 Ca 0.31 -1.41 -0.05 0.00 0.48 0.00 0.00 55.95 55.28 1oww s SER 75 Cb -0.16 -1.48 -0.04 0.00 0.10 0.00 0.00 66.02 64.44 1oww s SER 75 CO 0.12 -0.21 0.10 -0.63 0.98 0.00 0.00 173.24 173.60 1oww s ILE 76 N 1.14 5.14 0.74 -1.02 1.01 -0.80 -2.10 121.20 125.31 1oww s ILE 76 Ca -0.07 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 1oww s ILE 76 Cb -0.20 -3.24 0.16 0.00 0.01 0.00 0.00 42.46 39.19 1oww s ILE 76 CO -0.06 0.58 1.02 0.00 0.00 0.00 0.00 174.94 176.48 1oww n GLN 77 N 1.90 -0.46 -2.29 2.79 6.02 -0.89 -0.91 117.38 123.55 1oww n GLN 77 Ca -0.19 -2.26 -0.34 0.00 -0.01 0.00 0.00 57.00 54.21 1oww n GLN 77 Cb 0.54 -0.83 -0.04 0.00 1.02 0.00 0.00 30.24 30.93 1oww n GLN 77 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1oww s GLN 78 N -5.14 3.10 -1.73 -1.09 -0.21 -1.26 -3.92 119.66 109.41 1oww s GLN 78 Ca 0.63 -1.19 0.00 0.00 0.02 0.00 0.00 55.36 54.82 1oww s GLN 78 Cb -0.03 -5.30 0.00 0.00 1.00 0.00 0.00 33.01 28.68 1oww s GLN 78 CO 0.43 -3.08 0.00 0.66 -2.12 0.00 0.00 175.29 171.18 1oww n TYR 79 N 11.73 -0.91 0.00 0.91 4.01 -1.26 -4.92 117.16 126.72 1oww n TYR 79 Ca 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1oww n TYR 79 Cb 0.47 -3.70 0.00 0.00 -0.31 0.00 0.00 39.34 35.80 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 -0.88 1.23 3.90 2.72 0.00 -1.25 -5.12 105.19 105.80 1oww n GLY 80 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 2.87 3.00 -0.23 1.61 5.65 -1.26 -4.83 115.29 122.10 1oww s HIS 81 Ca 0.00 0.75 0.00 0.00 0.25 0.00 0.00 55.06 56.06 1oww s HIS 81 Cb 0.00 -3.38 0.06 0.00 -1.18 0.00 0.00 32.58 28.08 1oww s HIS 81 CO 0.00 -1.62 -0.03 -1.14 -0.65 0.00 0.00 174.74 171.30 1oww s GLN 82 N -5.49 1.40 0.14 2.88 0.74 -1.26 -2.09 119.66 115.98 1oww s GLN 82 Ca 0.61 -0.91 0.03 0.00 0.05 0.00 0.00 55.36 55.14 1oww s GLN 82 Cb -0.11 -2.49 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 1oww s GLN 82 CO 0.49 -0.63 0.20 -2.00 -0.55 0.00 0.00 175.29 172.79 1oww s GLU 83 N 1.48 3.17 -0.07 1.67 -6.30 -0.89 -4.97 118.70 112.78 1oww s GLU 83 Ca -0.04 -0.70 0.02 0.00 -2.50 0.00 0.00 54.97 51.75 1oww s GLU 83 Cb -0.18 -2.82 0.01 0.00 0.00 0.00 0.00 34.13 31.14 1oww s GLU 83 CO -0.07 0.52 -0.13 0.54 0.02 0.00 0.00 175.26 176.14 1oww s VAL 84 N -1.69 1.22 -0.08 3.70 0.11 -1.26 -1.23 120.40 121.17 1oww s VAL 84 Ca 0.33 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1oww s VAL 84 Cb -0.11 -1.11 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 1oww s VAL 84 CO 0.26 0.38 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.46 1oww s THR 85 N 0.75 3.81 0.01 5.04 2.01 -0.68 -4.74 115.64 121.84 1oww s THR 85 Ca -0.13 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1oww s THR 85 Cb -0.16 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 1oww s THR 85 CO 0.03 0.59 -0.12 -0.60 -0.69 0.00 0.00 174.62 173.83 1oww s ARG 86 N -0.72 0.91 0.25 4.92 3.52 -1.26 -1.60 118.95 124.97 1oww s ARG 86 Ca 0.11 -0.57 -0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1oww s ARG 86 Cb -0.11 -0.88 0.03 0.00 -1.56 0.00 0.00 34.95 32.42 1oww s ARG 86 CO 0.02 0.23 0.46 1.97 -0.81 0.00 0.00 175.30 177.17 1oww n PHE 87 N 2.37 -1.69 -4.13 5.12 1.16 -0.84 -5.02 117.46 114.43 1oww n PHE 87 Ca -0.16 -1.29 -0.11 0.00 -1.87 0.00 0.00 57.45 54.02 1oww n PHE 87 Cb 0.55 0.54 -0.10 0.00 -1.61 0.00 0.00 39.48 38.86 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 -2.36 1.01 0.28 5.98 1.47 -1.26 -2.11 116.67 119.67 1oww s ASP 88 Ca 0.13 -0.87 -0.02 0.00 1.18 0.00 0.00 52.55 52.97 1oww s ASP 88 Cb -0.03 0.08 -0.02 0.00 -0.34 0.00 0.00 42.92 42.62 1oww s ASP 88 CO 0.09 -0.40 0.33 0.72 0.68 0.00 0.00 175.17 176.59 1oww s PHE 89 N -2.97 1.12 0.03 2.11 -0.71 -0.90 -4.88 117.98 111.79 1oww s PHE 89 Ca 0.05 -1.30 -0.04 0.00 -1.04 0.00 0.00 56.93 54.60 1oww s PHE 89 Cb 0.01 -0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 1oww s PHE 89 CO -0.04 -0.90 0.05 -0.08 -1.34 0.00 0.00 175.22 172.91 1oww s THR 90 N -3.65 0.14 -0.21 -4.49 -1.32 -1.26 -1.26 115.64 103.59 1oww s THR 90 Ca 0.34 -1.15 -0.03 0.00 -1.21 0.00 0.00 61.69 59.64 1oww s THR 90 Cb 0.02 -0.83 -0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1oww s THR 90 CO 0.17 -0.64 -0.07 0.42 -2.21 0.00 0.00 174.62 172.29 1oww s THR 91 N -2.51 3.16 0.00 5.08 -4.23 -0.92 -4.93 115.64 111.29 1oww s THR 91 Ca -0.06 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1oww s THR 91 Cb -0.02 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.41 1oww s THR 91 CO -0.04 0.45 0.63 1.07 -0.54 0.00 0.00 174.62 176.18 1oww n THR 92 N 4.65 0.00 1.70 3.99 5.66 -1.26 -1.65 114.28 127.36 1oww n THR 92 Ca -0.19 -0.02 0.15 0.00 -3.05 0.00 0.00 64.05 60.95 1oww n THR 92 Cb 0.51 0.13 0.69 0.00 -1.55 0.00 0.00 70.33 70.11 1oww n THR 92 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82