#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oow s GLU 2 N 0.00 3.16 -0.16 1.45 2.12 -1.26 -0.39 118.70 123.61 1oow s GLU 2 Ca 0.00 -0.41 -0.00 0.00 0.36 0.00 0.00 54.97 54.92 1oow s GLU 2 Cb 0.00 -2.85 0.04 0.00 0.26 0.00 0.00 34.13 31.58 1oow s GLU 2 CO 0.00 0.62 -0.08 0.08 -0.54 0.00 0.00 175.26 175.34 1oow s VAL 3 N -0.64 1.27 0.18 3.70 1.01 -0.08 -4.49 120.40 121.35 1oow s VAL 3 Ca 0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1oow s VAL 3 Cb -0.12 -1.37 -0.08 0.00 0.00 0.00 0.00 36.38 34.82 1oow s VAL 3 CO 0.02 0.22 1.14 -0.76 0.00 0.00 0.00 175.10 175.72 1oow s LEU 4 N 1.57 4.47 -0.71 3.92 1.43 -0.19 -0.85 118.68 128.32 1oow s LEU 4 Ca 0.01 2.14 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 1oow s LEU 4 Cb -0.15 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.61 1oow s LEU 4 CO -0.08 -0.29 0.77 -0.76 0.23 0.00 0.00 176.35 176.23 1oow s LEU 5 N -0.27 5.77 0.00 1.79 1.43 -0.26 -1.89 118.68 125.25 1oow s LEU 5 Ca 0.51 -1.91 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1oow s LEU 5 Cb -0.31 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1oow s LEU 5 CO 0.35 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.60 1oow n GLY 6 N 4.98 1.74 3.89 -3.19 0.00 -0.22 -1.20 105.19 111.19 1oow n GLY 6 Ca 0.02 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1oow n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oow s GLY 7 N -0.20 1.62 0.53 -0.02 0.00 -0.63 -4.30 107.32 104.32 1oow s GLY 7 Ca 0.00 -0.41 0.26 0.00 0.00 0.00 0.00 44.72 44.57 1oow s GLY 7 CO 0.00 -0.05 1.97 -0.55 0.00 0.00 0.00 173.10 174.47 1oow h ASP 8 N -0.59 0.02 0.22 1.64 5.19 -1.92 0.12 116.42 121.10 1oow h ASP 8 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1oow h ASP 8 Cb 1.26 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1oow h ASP 8 CO 0.63 0.01 0.00 -0.90 -3.12 0.00 0.00 179.24 175.86 1oow n ASP 9 N -4.36 0.00 0.00 6.45 5.75 -1.26 -4.89 116.55 118.24 1oow n ASP 9 Ca 0.12 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 1oow n ASP 9 Cb 0.67 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1oow n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oow n GLY 10 N 0.94 0.75 3.63 6.12 0.00 0.41 -4.98 105.19 112.06 1oow n GLY 10 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1oow n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oow n SER 11 N 0.00 1.92 -4.24 1.61 3.41 -1.25 -4.62 113.62 110.45 1oow n SER 11 Ca 0.00 1.18 -0.44 0.00 -0.26 0.00 0.00 58.87 59.35 1oow n SER 11 Cb 0.00 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 62.60 1oow n SER 11 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oow n GLU 12 N 1.01 3.67 -3.86 4.33 -0.58 -1.26 -1.60 120.64 122.34 1oow n GLU 12 Ca 0.09 -4.12 -0.11 0.00 -0.42 0.00 0.00 57.16 52.59 1oow n GLU 12 Cb 0.32 -2.76 -0.11 0.00 -0.57 0.00 0.00 31.44 28.32 1oow n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1oow s ALA 13 N -0.37 -0.31 0.22 0.62 0.00 -1.26 -3.86 121.76 116.80 1oow s ALA 13 Ca 0.36 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1oow s ALA 13 Cb -0.02 0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.03 1oow s ALA 13 CO -0.01 -0.17 1.05 -0.06 0.00 0.00 0.00 175.76 176.58 1oow s PHE 14 N -0.99 3.70 -0.28 0.00 0.08 -1.26 -1.06 117.98 118.17 1oow s PHE 14 Ca -0.11 1.72 -0.03 0.00 0.12 0.00 0.00 56.93 58.64 1oow s PHE 14 Cb -0.06 -3.19 0.09 0.00 -0.57 0.00 0.00 43.02 39.29 1oow s PHE 14 CO 0.01 -0.27 0.10 -0.51 -0.10 0.00 0.00 175.22 174.45 1oow s LEU 15 N -0.89 1.34 0.72 -0.37 1.43 -0.79 -2.26 118.68 117.86 1oow s LEU 15 Ca 0.46 -1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 1oow s LEU 15 Cb -0.29 -0.60 0.03 0.00 0.03 0.00 0.00 46.19 45.37 1oow s LEU 15 CO 0.36 -0.40 1.10 -2.16 0.23 0.00 0.00 176.35 175.47 1oow s PRO 16 N 1.86 2.58 0.00 1.29 0.04 -1.26 -1.02 135.00 138.48 1oow s PRO 16 Ca 0.07 0.28 0.10 0.00 0.04 0.00 0.00 61.00 61.50 1oow s PRO 16 Cb -0.17 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 1oow s PRO 16 CO -0.26 -1.17 0.47 0.41 0.04 0.00 0.00 177.00 176.48 1oow n GLY 17 N -3.05 0.01 2.83 0.56 0.00 -0.96 -4.83 105.19 99.75 1oow n GLY 17 Ca 0.07 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 1oow n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oow s ASP 18 N -1.90 0.85 0.31 1.61 -1.08 -1.25 -1.12 116.67 114.09 1oow s ASP 18 Ca 0.05 -1.22 0.03 0.00 -0.52 0.00 0.00 52.55 50.89 1oow s ASP 18 Cb 0.08 0.77 -0.04 0.00 -1.46 0.00 0.00 42.92 42.27 1oow s ASP 18 CO 0.40 -0.28 0.17 0.72 0.52 0.00 0.00 175.17 176.70 1oow s PHE 19 N 1.75 1.61 0.05 -5.34 -0.71 -0.76 -5.01 117.98 109.56 1oow s PHE 19 Ca 0.15 -1.39 0.07 0.00 -1.04 0.00 0.00 56.93 54.71 1oow s PHE 19 Cb -0.14 -0.85 -0.02 0.00 -1.21 0.00 0.00 43.02 40.80 1oow s PHE 19 CO -0.11 -0.54 -0.19 -1.12 -1.34 0.00 0.00 175.22 171.91 1oow s SER 20 N -3.38 2.23 0.07 1.98 0.01 -1.26 -1.05 113.70 112.31 1oow s SER 20 Ca 0.36 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 57.12 1oow s SER 20 Cb 0.05 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1oow s SER 20 CO 0.18 0.11 -0.06 0.68 0.41 0.00 0.00 173.24 174.56 1oow s VAL 21 N -0.84 0.54 0.46 3.43 -7.23 -0.53 -4.94 120.40 111.29 1oow s VAL 21 Ca 0.06 -1.54 -0.20 0.00 -1.81 0.00 0.00 61.98 58.48 1oow s VAL 21 Cb -0.09 -1.18 -0.10 0.00 0.56 0.00 0.00 36.38 35.58 1oow s VAL 21 CO 0.02 -0.69 0.98 0.00 -0.31 0.00 0.00 175.10 175.10 1oow s ALA 22 N -2.70 2.99 0.14 1.32 0.00 -1.26 -0.63 121.76 121.62 1oow s ALA 22 Ca 0.01 0.43 -0.34 0.00 0.00 0.00 0.00 51.96 52.06 1oow s ALA 22 Cb -0.01 -3.17 -0.16 0.00 0.00 0.00 0.00 23.12 19.78 1oow s ALA 22 CO -0.03 -0.03 1.29 0.45 0.00 0.00 0.00 175.76 177.44 1oow n SER 23 N -0.84 1.75 0.00 0.00 2.88 -0.30 -0.96 113.62 116.16 1oow n SER 23 Ca 0.08 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1oow n SER 23 Cb 0.54 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1oow n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oow n GLY 24 N 2.36 1.39 3.72 0.46 0.00 -0.14 -4.98 105.19 108.00 1oow n GLY 24 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1oow n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oow s GLU 25 N -0.47 4.48 0.16 1.61 2.12 -0.13 -4.93 118.70 121.54 1oow s GLU 25 Ca 0.00 1.06 -0.30 0.00 0.36 0.00 0.00 54.97 56.08 1oow s GLU 25 Cb 0.00 -3.43 -0.08 0.00 0.26 0.00 0.00 34.13 30.88 1oow s GLU 25 CO 0.00 0.10 1.26 -2.00 -0.54 0.00 0.00 175.26 174.08 1oow s GLU 26 N 0.61 4.42 -0.25 4.30 2.12 -1.26 -4.26 118.70 124.38 1oow s GLU 26 Ca 0.41 1.94 -0.09 0.00 0.36 0.00 0.00 54.97 57.59 1oow s GLU 26 Cb -0.19 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1oow s GLU 26 CO 0.22 -0.22 0.12 0.42 -0.54 0.00 0.00 175.26 175.26 1oow s ILE 27 N 0.35 4.83 -0.44 -3.70 1.01 0.55 -1.26 121.20 122.54 1oow s ILE 27 Ca 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 1oow s ILE 27 Cb -0.34 -3.26 0.09 0.00 0.01 0.00 0.00 42.46 38.96 1oow s ILE 27 CO 0.35 0.32 0.29 -0.69 0.00 0.00 0.00 174.94 175.21 1oow s VAL 28 N 1.47 4.28 -0.15 2.92 1.01 0.47 -1.57 120.40 128.84 1oow s VAL 28 Ca 0.06 -1.50 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 1oow s VAL 28 Cb -0.15 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1oow s VAL 28 CO 0.06 -0.59 0.87 -0.36 0.00 0.00 0.00 175.10 175.08 1oow s PHE 29 N 1.42 3.45 -0.20 5.22 0.08 0.13 -0.90 117.98 127.19 1oow s PHE 29 Ca 0.04 1.35 -0.01 0.00 0.12 0.00 0.00 56.93 58.43 1oow s PHE 29 Cb -0.24 -3.05 0.01 0.00 -0.57 0.00 0.00 43.02 39.17 1oow s PHE 29 CO 0.01 -0.22 -0.14 0.21 -0.10 0.00 0.00 175.22 174.98 1oow s LYS 30 N 2.04 3.12 0.10 0.44 2.20 -0.03 -0.68 119.74 126.93 1oow s LYS 30 Ca 0.41 -0.76 -0.31 0.00 -0.36 0.00 0.00 55.97 54.95 1oow s LYS 30 Cb -0.17 -2.73 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 1oow s LYS 30 CO 0.14 -0.21 1.86 1.21 -0.36 0.00 0.00 175.35 177.98 1oow s ASN 31 N 1.36 6.43 0.00 1.43 2.47 0.63 -1.10 114.94 126.16 1oow s ASN 31 Ca 0.05 2.73 0.00 0.00 0.42 0.00 0.00 52.86 56.06 1oow s ASN 31 Cb -0.14 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 1oow s ASN 31 CO -0.09 -1.01 0.00 -3.20 -3.72 0.00 0.00 177.10 169.07 1oow n ASN 32 N 6.10 0.00 -3.81 -4.21 5.15 -0.34 -1.24 115.26 116.93 1oow n ASN 32 Ca 0.18 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.07 1oow n ASN 32 Cb 0.39 -0.11 -0.04 0.00 -0.53 0.00 0.00 39.78 39.48 1oow n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oow s ALA 33 N -3.18 -0.72 0.00 5.20 0.00 -1.13 -4.75 121.76 117.18 1oow s ALA 33 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1oow s ALA 33 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 1oow s ALA 33 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1oow n GLY 34 N -0.33 0.57 3.61 0.00 0.00 -1.26 -4.15 105.19 103.63 1oow n GLY 34 Ca -0.08 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1oow n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oow s PHE 35 N -2.00 1.00 0.47 1.61 -0.12 -1.26 -4.77 117.98 112.91 1oow s PHE 35 Ca 0.00 0.66 -0.24 0.00 -0.05 0.00 0.00 56.93 57.31 1oow s PHE 35 Cb 0.00 -3.37 -0.07 0.00 -0.63 0.00 0.00 43.02 38.95 1oow s PHE 35 CO 0.00 -3.61 1.32 -1.25 -0.05 0.00 0.00 175.22 171.63 1oow s PRO 36 N -5.23 3.59 0.11 1.99 0.04 -1.26 -5.10 135.00 129.15 1oow s PRO 36 Ca 0.69 2.17 0.05 0.00 0.04 0.00 0.00 61.00 63.96 1oow s PRO 36 Cb -0.13 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1oow s PRO 36 CO 0.57 -0.81 -0.13 -1.01 0.04 0.00 0.00 177.00 175.66 1oow s HIS 37 N -1.31 1.33 0.06 0.56 3.76 -0.85 -4.84 115.29 114.00 1oow s HIS 37 Ca 0.64 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1oow s HIS 37 Cb -0.38 -0.70 -0.00 0.00 1.11 0.00 0.00 32.58 32.60 1oow s HIS 37 CO 0.48 0.12 0.07 0.27 -0.85 0.00 0.00 174.74 174.83 1oow n ASN 38 N 0.59 -0.20 -3.63 1.40 6.94 -1.26 -0.29 115.26 118.81 1oow n ASN 38 Ca -0.16 -1.34 -0.19 0.00 -0.02 0.00 0.00 54.58 52.87 1oow n ASN 38 Cb 0.57 0.40 -0.16 0.00 -2.36 0.00 0.00 39.78 38.23 1oow n ASN 38 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1oow s VAL 39 N -2.42 -0.23 0.01 3.53 1.01 -1.26 -4.04 120.40 117.00 1oow s VAL 39 Ca 0.06 0.19 0.06 0.00 0.00 0.00 0.00 61.98 62.29 1oow s VAL 39 Cb -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1oow s VAL 39 CO 0.04 0.02 -0.19 -0.69 0.00 0.00 0.00 175.10 174.28 1oow s VAL 40 N 2.26 1.49 -0.17 2.92 1.01 -0.33 -1.12 120.40 126.46 1oow s VAL 40 Ca 0.04 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 1oow s VAL 40 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1oow s VAL 40 CO -0.07 0.29 0.14 -0.36 0.00 0.00 0.00 175.10 175.10 1oow s PHE 41 N -0.60 3.48 -0.48 5.22 0.08 -1.26 -0.95 117.98 123.47 1oow s PHE 41 Ca 0.07 0.41 -0.29 0.00 0.12 0.00 0.00 56.93 57.24 1oow s PHE 41 Cb -0.08 -2.09 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 1oow s PHE 41 CO 0.00 0.45 1.30 0.34 -0.10 0.00 0.00 175.22 177.22 1oow s ASP 42 N -0.15 6.40 0.62 1.36 -1.08 -0.69 -4.92 116.67 118.21 1oow s ASP 42 Ca 0.11 0.53 0.32 0.00 -0.52 0.00 0.00 52.55 52.99 1oow s ASP 42 Cb -0.11 -2.55 1.82 0.00 -1.46 0.00 0.00 42.92 40.62 1oow s ASP 42 CO 0.00 -1.44 2.14 1.05 0.52 0.00 0.00 175.17 177.45 1oow h GLU 43 N 10.20 0.00 0.00 4.34 4.11 -1.96 -0.02 114.58 131.24 1oow h GLU 43 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1oow h GLU 43 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1oow h GLU 43 CO 1.13 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.96 1oow n ASP 44 N -3.54 0.31 -2.26 3.06 8.00 -1.26 -4.06 116.55 116.80 1oow n ASP 44 Ca -0.00 0.53 -0.11 0.00 0.71 0.00 0.00 54.79 55.92 1oow n ASP 44 Cb 0.26 -0.61 0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1oow n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oow n GLU 45 N -1.79 2.50 -4.26 -1.24 -0.58 -0.03 -5.04 120.64 110.20 1oow n GLU 45 Ca 0.06 -3.72 -0.15 0.00 -0.42 0.00 0.00 57.16 52.93 1oow n GLU 45 Cb 0.37 -1.83 -0.10 0.00 -0.57 0.00 0.00 31.44 29.30 1oow n GLU 45 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1oow s ILE 46 N -3.94 0.93 0.68 -3.67 -4.36 -1.21 -1.61 121.20 108.03 1oow s ILE 46 Ca 0.39 -2.02 -0.17 0.00 -0.26 0.00 0.00 60.65 58.59 1oow s ILE 46 Cb 0.37 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 42.01 1oow s ILE 46 CO -0.01 -0.54 1.28 -2.65 0.24 0.00 0.00 174.94 173.26 1oow n PRO 47 N -0.27 0.95 -1.75 0.37 -0.02 -1.24 -4.93 135.00 128.11 1oow n PRO 47 Ca -0.08 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 1oow n PRO 47 Cb 0.62 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1oow n PRO 47 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1oow n SER 48 N -2.16 3.29 -0.24 2.55 7.64 -1.26 -2.57 113.62 120.87 1oow n SER 48 Ca 0.16 1.16 -0.03 0.00 1.01 0.00 0.00 58.87 61.16 1oow n SER 48 Cb 0.48 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.09 1oow n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1oow n GLY 49 N 0.59 0.63 3.53 0.23 0.00 -1.26 -5.02 105.19 103.89 1oow n GLY 49 Ca 0.04 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1oow n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oow s VAL 50 N -2.07 4.30 -0.45 1.61 1.01 -1.06 -5.09 120.40 118.64 1oow s VAL 50 Ca 0.00 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1oow s VAL 50 Cb 0.00 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1oow s VAL 50 CO 0.00 0.45 1.04 -0.62 0.00 0.00 0.00 175.10 175.96 1oow s ASP 51 N 0.67 6.60 0.53 3.32 -1.08 -1.26 -4.93 116.67 120.52 1oow s ASP 51 Ca 0.01 0.38 0.30 0.00 -0.52 0.00 0.00 52.55 52.72 1oow s ASP 51 Cb -0.14 -2.51 1.47 0.00 -1.46 0.00 0.00 42.92 40.29 1oow s ASP 51 CO 0.02 -1.12 2.06 0.00 0.52 0.00 0.00 175.17 176.64 1oow h ALA 52 N 9.04 1.18 0.00 3.66 0.00 -1.96 -1.33 119.26 129.86 1oow h ALA 52 Ca -0.23 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1oow h ALA 52 Cb 1.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1oow h ALA 52 CO 1.07 0.13 -0.24 0.00 0.00 0.00 0.00 179.25 180.21 1oow h ALA 53 N 1.90 1.50 0.00 0.00 0.00 -1.91 -1.87 119.26 118.87 1oow h ALA 53 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1oow h ALA 53 Cb 0.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1oow h ALA 53 CO 0.01 0.30 -0.38 0.87 0.00 0.00 0.00 179.25 180.06 1oow h LYS 54 N 0.00 0.00 -0.01 0.00 1.57 -1.66 -3.35 116.57 113.13 1oow h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oow h LYS 54 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1oow h LYS 54 CO 0.03 0.38 -0.23 0.44 -0.57 0.00 0.00 179.45 179.50 1oow n ILE 55 N -3.32 0.00 -3.79 1.86 -5.35 -1.10 -5.00 119.36 102.65 1oow n ILE 55 Ca 0.01 -0.39 -0.29 0.00 -0.27 0.00 0.00 62.75 61.82 1oow n ILE 55 Cb 0.60 1.10 -0.04 0.00 -1.74 0.00 0.00 39.64 39.57 1oow n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1oow s SER 56 N -1.40 6.39 0.57 7.28 0.01 -0.72 -4.80 113.70 121.03 1oow s SER 56 Ca 0.08 0.36 -0.19 0.00 1.31 0.00 0.00 55.95 57.51 1oow s SER 56 Cb 0.08 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.27 1oow s SER 56 CO 0.26 0.04 1.16 -0.04 0.41 0.00 0.00 173.24 175.08 1oow s MET 57 N -2.99 3.18 0.24 12.44 -1.94 -0.27 -4.93 119.30 125.01 1oow s MET 57 Ca 0.37 1.71 -0.31 0.00 -1.71 0.00 0.00 55.69 55.75 1oow s MET 57 Cb -0.12 -1.97 -0.14 0.00 2.01 0.00 0.00 34.83 34.62 1oow s MET 57 CO 0.28 -1.01 1.33 0.45 -0.01 0.00 0.00 175.02 176.06 1oow n SER 58 N -1.44 2.41 -0.22 3.03 2.88 -1.26 -4.88 113.62 114.14 1oow n SER 58 Ca 0.13 1.15 0.02 0.00 -1.33 0.00 0.00 58.87 58.83 1oow n SER 58 Cb 0.50 -1.38 0.13 0.00 -0.75 0.00 0.00 64.21 62.71 1oow n SER 58 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1oow h GLU 59 N 3.83 0.40 -0.00 -1.46 4.22 -1.98 -2.10 114.58 117.49 1oow h GLU 59 Ca -0.44 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1oow h GLU 59 Cb 1.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1oow h GLU 59 CO 0.73 0.26 -0.21 -0.85 -2.18 0.00 0.00 179.01 176.76 1oow n GLU 60 N -5.01 0.13 -2.71 1.92 0.00 -1.26 -4.71 120.64 108.99 1oow n GLU 60 Ca 0.10 -0.04 -0.42 0.00 0.00 0.00 0.00 57.16 56.80 1oow n GLU 60 Cb 0.32 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.23 1oow n GLU 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1oow s ASP 61 N -2.90 6.38 -0.08 -1.84 2.15 -0.79 -5.01 116.67 114.58 1oow s ASP 61 Ca 0.16 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.01 1oow s ASP 61 Cb 0.19 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 40.29 1oow s ASP 61 CO 0.59 -1.37 -0.14 -0.76 -0.17 0.00 0.00 175.17 173.32 1oow s LEU 62 N 4.47 2.73 -0.14 -1.34 1.43 -1.26 -4.76 118.68 119.81 1oow s LEU 62 Ca 0.36 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 1oow s LEU 62 Cb -0.10 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1oow s LEU 62 CO 0.22 0.27 1.23 -0.76 0.23 0.00 0.00 176.35 177.55 1oow s LEU 63 N -0.29 4.20 -0.03 1.79 1.43 0.60 -4.89 118.68 121.50 1oow s LEU 63 Ca 0.02 1.71 0.04 0.00 -1.03 0.00 0.00 54.13 54.87 1oow s LEU 63 Cb -0.13 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.61 1oow s LEU 63 CO 0.03 -0.71 0.88 0.59 0.23 0.00 0.00 176.35 177.37 1oow n ASN 64 N 6.22 1.09 -4.01 2.29 3.02 -1.26 -2.01 115.26 120.59 1oow n ASN 64 Ca 0.13 -1.92 -0.11 0.00 -0.03 0.00 0.00 54.58 52.65 1oow n ASN 64 Cb 0.45 -0.12 -0.11 0.00 -0.61 0.00 0.00 39.78 39.38 1oow n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1oow s ALA 65 N -0.88 0.33 0.34 5.41 0.00 -1.26 -5.01 121.76 120.70 1oow s ALA 65 Ca 0.06 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.11 1oow s ALA 65 Cb 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 1oow s ALA 65 CO 0.01 -0.08 1.30 -2.14 0.00 0.00 0.00 175.76 174.85 1oow s PRO 66 N -1.40 4.30 0.00 0.00 0.02 -1.26 -2.69 135.00 133.96 1oow s PRO 66 Ca -0.12 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1oow s PRO 66 Cb -0.09 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1oow s PRO 66 CO -0.00 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 1oow n GLY 67 N 0.78 3.04 3.63 0.52 0.00 -0.37 -5.00 105.19 107.80 1oow n GLY 67 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1oow n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oow n GLU 68 N -2.00 1.70 -4.33 1.61 1.02 -1.10 -4.53 120.64 113.01 1oow n GLU 68 Ca 0.00 0.60 -0.23 0.00 -0.02 0.00 0.00 57.16 57.51 1oow n GLU 68 Cb 0.00 -2.20 -0.08 0.00 -0.02 0.00 0.00 31.44 29.15 1oow n GLU 68 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1oow s THR 69 N -0.12 3.28 -0.08 2.62 -4.23 -1.26 -0.27 115.64 115.59 1oow s THR 69 Ca 0.70 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1oow s THR 69 Cb -0.73 -2.75 0.02 0.00 1.34 0.00 0.00 72.50 70.39 1oow s THR 69 CO 0.51 -0.38 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.69 1oow s TYR 70 N -2.35 1.03 -0.11 3.99 5.04 0.14 -5.00 117.35 120.10 1oow s TYR 70 Ca 0.31 -0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1oow s TYR 70 Cb -0.06 -0.92 -0.03 0.00 0.35 0.00 0.00 41.96 41.30 1oow s TYR 70 CO 0.19 -0.34 -0.08 0.15 -1.34 0.00 0.00 175.55 174.14 1oow s LYS 71 N 1.43 3.18 -0.02 4.97 1.02 -1.26 -0.69 119.74 128.37 1oow s LYS 71 Ca -0.02 -0.58 -0.13 0.00 0.02 0.00 0.00 55.97 55.26 1oow s LYS 71 Cb -0.13 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1oow s LYS 71 CO -0.03 0.42 0.28 0.54 -0.92 0.00 0.00 175.35 175.64 1oow s VAL 72 N -0.16 0.06 -0.09 3.17 0.11 -0.60 -5.00 120.40 117.88 1oow s VAL 72 Ca 0.02 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1oow s VAL 72 Cb -0.13 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1oow s VAL 72 CO 0.03 -0.26 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.47 1oow s THR 73 N -1.23 1.57 0.08 5.04 2.01 -1.26 -0.33 115.64 121.51 1oow s THR 73 Ca -0.13 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1oow s THR 73 Cb -0.05 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1oow s THR 73 CO 0.04 0.45 0.08 -0.76 -0.69 0.00 0.00 174.62 173.73 1oow s LEU 74 N 0.62 3.79 0.00 4.42 1.43 -1.26 -4.97 118.68 122.71 1oow s LEU 74 Ca -0.14 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1oow s LEU 74 Cb -0.16 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1oow s LEU 74 CO 0.04 0.17 0.00 0.35 0.23 0.00 0.00 176.35 177.15 1oow n THR 75 N 0.45 0.00 -2.34 5.49 -2.24 -1.26 -0.97 114.28 113.41 1oow n THR 75 Ca -0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1oow n THR 75 Cb 0.52 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1oow n THR 75 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1oow s GLU 76 N -1.63 4.33 0.54 -0.78 2.56 -1.26 -4.70 118.70 117.76 1oow s GLU 76 Ca 0.00 1.83 -0.19 0.00 0.00 0.00 0.00 54.97 56.61 1oow s GLU 76 Cb 0.00 -3.53 -0.06 0.00 2.00 0.00 0.00 34.13 32.54 1oow s GLU 76 CO 0.00 -0.49 1.10 0.15 -0.56 0.00 0.00 175.26 175.47 1oow s LYS 77 N 2.14 3.40 0.00 4.30 1.02 -1.26 -4.79 119.74 124.56 1oow s LYS 77 Ca 0.60 1.51 0.00 0.00 0.02 0.00 0.00 55.97 58.10 1oow s LYS 77 Cb -0.29 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 1oow s LYS 77 CO 0.25 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.30 1oow n GLY 78 N -0.07 0.97 3.76 -3.33 0.00 -0.81 -4.85 105.19 100.86 1oow n GLY 78 Ca 0.11 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 1oow n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oow s THR 79 N -1.46 4.59 -0.05 2.61 -4.23 -1.26 -0.50 115.64 115.33 1oow s THR 79 Ca 0.00 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1oow s THR 79 Cb 0.00 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.78 1oow s THR 79 CO 0.00 0.38 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.07 1oow s TYR 80 N -1.14 1.08 -0.12 3.99 1.51 0.02 -3.70 117.35 118.99 1oow s TYR 80 Ca 0.21 -0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 55.88 1oow s TYR 80 Cb -0.12 -0.84 -0.04 0.00 -0.11 0.00 0.00 41.96 40.86 1oow s TYR 80 CO 0.12 -0.22 0.04 0.21 -1.11 0.00 0.00 175.55 174.59 1oow s LYS 81 N 0.71 3.31 0.13 -0.62 2.20 -0.63 -1.39 119.74 123.45 1oow s LYS 81 Ca -0.12 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.13 1oow s LYS 81 Cb -0.14 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1oow s LYS 81 CO 0.02 0.61 0.05 -0.59 -0.36 0.00 0.00 175.35 175.07 1oow s PHE 82 N -0.59 0.87 0.17 4.03 -0.71 -0.64 -1.70 117.98 119.41 1oow s PHE 82 Ca 0.10 -1.22 -0.18 0.00 -1.04 0.00 0.00 56.93 54.60 1oow s PHE 82 Cb -0.12 -0.49 0.04 0.00 -1.21 0.00 0.00 43.02 41.24 1oow s PHE 82 CO 0.02 -0.50 0.50 1.52 -1.34 0.00 0.00 175.22 175.43 1oow s TYR 83 N -4.02 -0.23 -0.28 3.49 -0.85 -0.12 -0.63 117.35 114.72 1oow s TYR 83 Ca 0.23 -0.09 -0.16 0.00 -0.52 0.00 0.00 57.07 56.53 1oow s TYR 83 Cb 0.07 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 1oow s TYR 83 CO 0.01 -0.84 0.45 0.00 -1.52 0.00 0.00 175.55 173.65 1oow h SER 85 N 8.15 -0.72 -1.12 0.00 0.02 -1.90 0.38 113.55 118.36 1oow h SER 85 Ca -0.30 0.08 0.31 0.00 -0.84 0.00 0.00 61.79 61.05 1oow h SER 85 Cb 1.15 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.90 1oow h SER 85 CO 0.69 -0.23 0.78 -0.65 -1.14 0.00 0.00 176.83 176.28 1oow h PRO 86 N -0.29 0.12 0.00 3.45 0.11 -1.95 -2.78 132.00 130.65 1oow h PRO 86 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1oow h PRO 86 Cb 0.31 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1oow h PRO 86 CO -0.16 0.08 -0.02 0.72 -0.21 0.00 0.00 178.00 178.41 1oow n HIS 87 N -4.34 0.00 0.10 0.65 8.25 -0.81 -4.67 115.22 114.41 1oow n HIS 87 Ca 0.25 -0.81 -0.12 0.00 -0.26 0.00 0.00 57.72 56.78 1oow n HIS 87 Cb 1.11 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 32.05 1oow n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1oow h GLN 88 N 0.00 -0.40 -1.00 -0.41 4.15 0.03 -1.48 115.11 116.00 1oow h GLN 88 Ca 0.00 0.03 0.22 0.00 0.77 0.00 0.00 58.65 59.67 1oow h GLN 88 Cb 0.87 0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.55 1oow h GLN 88 CO 0.00 -0.27 0.63 0.78 -1.93 0.00 0.00 178.83 178.04 1oow h GLY 89 N -0.41 1.43 -0.26 2.39 0.00 -1.83 -1.12 103.07 103.26 1oow h GLY 89 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1oow h GLY 89 CO -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.31 1oow n ALA 90 N -2.41 2.53 -0.53 3.60 0.00 -0.78 -4.90 120.51 118.02 1oow n ALA 90 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1oow n ALA 90 Cb 0.71 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1oow n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oow n GLY 91 N 0.84 0.67 3.39 0.00 0.00 -0.42 -4.96 105.19 104.71 1oow n GLY 91 Ca 0.10 -0.56 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 1oow n GLY 91 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1oow n MET 92 N -2.53 3.38 -4.34 1.61 0.00 -0.63 -4.86 117.12 109.75 1oow n MET 92 Ca 0.00 -3.73 -0.21 0.00 -0.00 0.00 0.00 57.70 53.76 1oow n MET 92 Cb 0.00 -3.08 -0.13 0.00 0.00 0.00 0.00 33.22 30.01 1oow n MET 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1oow s VAL 93 N 1.71 1.24 0.32 1.12 -7.23 -1.26 -1.85 120.40 114.45 1oow s VAL 93 Ca 0.44 -1.14 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 1oow s VAL 93 Cb -0.00 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.78 1oow s VAL 93 CO 0.01 -0.03 0.19 -0.83 -0.31 0.00 0.00 175.10 174.13 1oow s GLY 94 N -1.35 2.20 -0.10 2.32 0.00 0.20 -4.71 107.32 105.89 1oow s GLY 94 Ca 0.02 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 42.94 1oow s GLY 94 CO 0.02 -1.59 0.22 1.25 0.00 0.00 0.00 173.10 173.00 1oow s LYS 95 N -3.71 0.18 -0.02 2.90 2.20 -0.27 -1.62 119.74 119.40 1oow s LYS 95 Ca 0.35 0.49 0.05 0.00 -0.36 0.00 0.00 55.97 56.50 1oow s LYS 95 Cb 0.04 -0.13 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1oow s LYS 95 CO 0.19 -0.16 -0.17 0.54 -0.36 0.00 0.00 175.35 175.40 1oow s VAL 96 N 1.20 1.35 -0.21 4.02 0.11 -0.49 -1.83 120.40 124.55 1oow s VAL 96 Ca -0.09 -0.71 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1oow s VAL 96 Cb -0.10 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.60 1oow s VAL 96 CO -0.08 0.38 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.14 1oow s THR 97 N -0.25 3.43 -0.20 5.04 2.01 -0.21 -0.80 115.64 124.66 1oow s THR 97 Ca 0.03 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 1oow s THR 97 Cb -0.08 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1oow s THR 97 CO 0.00 0.44 0.32 -0.69 -0.69 0.00 0.00 174.62 174.00 1oow s VAL 98 N 1.27 5.26 0.00 3.82 1.01 0.34 -1.45 120.40 130.65 1oow s VAL 98 Ca 0.03 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1oow s VAL 98 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1oow s VAL 98 CO -0.02 0.30 0.26 -0.46 0.00 0.00 0.00 175.10 175.18