#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ozx n ALA 2 N 0.00 2.25 -1.13 3.04 0.00 -1.26 -5.09 120.51 118.32 2ozx n ALA 2 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 53.44 51.29 2ozx n ALA 2 Cb 0.00 -0.64 0.21 0.00 0.00 0.00 0.00 19.45 19.03 2ozx n ALA 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ozx s VAL 3 N -0.11 1.80 0.29 0.00 -7.23 -1.26 -4.48 120.40 109.41 2ozx s VAL 3 Ca 0.21 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.38 2ozx s VAL 3 Cb 0.24 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2ozx s VAL 3 CO -0.10 0.00 0.39 0.00 -0.31 0.00 0.00 175.10 175.08 2ozx n ALA 4 N -4.48 -0.18 -3.09 1.32 0.00 -1.20 -4.92 120.51 107.94 2ozx n ALA 4 Ca 0.09 -1.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.02 2ozx n ALA 4 Cb 0.58 1.12 -0.09 0.00 0.00 0.00 0.00 19.45 21.07 2ozx n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ozx s ASP 5 N -2.83 -0.09 0.52 0.00 -1.08 -1.26 -4.71 116.67 107.22 2ozx s ASP 5 Ca 0.25 -0.12 0.22 0.00 -0.52 0.00 0.00 52.55 52.39 2ozx s ASP 5 Cb -0.01 0.29 1.35 0.00 -1.46 0.00 0.00 42.92 43.10 2ozx s ASP 5 CO 0.18 -0.49 2.04 -0.07 0.52 0.00 0.00 175.17 177.35 2ozx h LEU 6 N 3.73 0.02 -1.68 -1.34 3.38 -1.96 -0.67 115.31 116.79 2ozx h LEU 6 Ca -0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2ozx h LEU 6 Cb 1.19 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2ozx h LEU 6 CO 0.43 0.01 -0.19 0.00 0.09 0.00 0.00 178.44 178.78 2ozx h ALA 7 N 1.80 1.53 0.00 1.53 0.00 -2.01 -2.76 119.26 119.36 2ozx h ALA 7 Ca 0.19 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2ozx h ALA 7 Cb 0.73 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2ozx h ALA 7 CO -0.01 0.24 -0.77 -0.07 0.00 0.00 0.00 179.25 178.64 2ozx h LEU 8 N 0.00 0.00 -9.29 0.00 3.38 -1.54 -3.44 115.31 104.43 2ozx h LEU 8 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 2ozx h LEU 8 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2ozx h LEU 8 CO 0.02 0.77 0.96 -0.63 0.09 0.00 0.00 178.44 179.65 2ozx s ILE 9 N -3.05 3.75 0.21 1.22 1.01 -1.04 -4.96 121.20 118.34 2ozx s ILE 9 Ca 0.01 1.01 -0.31 0.00 0.00 0.00 0.00 60.65 61.35 2ozx s ILE 9 Cb 0.10 -3.65 -0.15 0.00 0.01 0.00 0.00 42.46 38.78 2ozx s ILE 9 CO 0.78 -0.05 1.18 -2.65 0.00 0.00 0.00 174.94 174.20 2ozx n PRO 10 N 6.33 1.40 0.07 2.79 -0.02 -1.26 -4.89 135.00 139.41 2ozx n PRO 10 Ca 0.15 0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 62.07 2ozx n PRO 10 Cb 0.43 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2ozx n PRO 10 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ozx h ASP 11 N 3.24 0.00 -3.72 2.55 3.58 -1.92 -3.43 116.42 116.71 2ozx h ASP 11 Ca -0.43 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.72 2ozx h ASP 11 Cb 1.33 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 42.08 2ozx h ASP 11 CO 0.69 0.95 -0.74 -0.69 -2.88 0.00 0.00 179.24 176.57 2ozx s VAL 12 N -2.73 0.21 -0.19 2.25 1.01 -1.26 -1.87 120.40 117.82 2ozx s VAL 12 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2ozx s VAL 12 Cb 0.10 -0.22 0.08 0.00 0.00 0.00 0.00 36.38 36.34 2ozx s VAL 12 CO 0.81 0.09 0.42 -0.62 0.00 0.00 0.00 175.10 175.80 2ozx s ASP 13 N 0.28 -0.32 0.08 3.32 2.15 -0.92 -4.99 116.67 116.27 2ozx s ASP 13 Ca -0.03 0.97 -0.05 0.00 0.43 0.00 0.00 52.55 53.87 2ozx s ASP 13 Cb -0.05 1.19 -0.02 0.00 -0.30 0.00 0.00 42.92 43.74 2ozx s ASP 13 CO -0.01 -0.22 0.10 0.27 -0.17 0.00 0.00 175.17 175.14 2ozx s ILE 14 N 2.29 0.17 -0.05 4.11 -4.36 -1.26 -3.15 121.20 118.94 2ozx s ILE 14 Ca -0.04 -1.51 -0.02 0.00 -0.26 0.00 0.00 60.65 58.82 2ozx s ILE 14 Cb -0.11 -1.50 0.04 0.00 1.25 0.00 0.00 42.46 42.13 2ozx s ILE 14 CO -0.13 -0.75 0.10 -0.62 0.24 0.00 0.00 174.94 173.78 2ozx s ASP 15 N -2.91 0.32 0.44 4.36 2.15 -0.44 -4.98 116.67 115.62 2ozx s ASP 15 Ca 0.08 0.20 0.03 0.00 0.43 0.00 0.00 52.55 53.29 2ozx s ASP 15 Cb 0.06 0.08 -0.03 0.00 -0.30 0.00 0.00 42.92 42.73 2ozx s ASP 15 CO -0.09 -0.18 0.05 -0.44 -0.17 0.00 0.00 175.17 174.34 2ozx s SER 16 N 1.54 3.48 0.00 -0.34 0.01 -1.26 -1.96 113.70 115.17 2ozx s SER 16 Ca -0.04 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.63 2ozx s SER 16 Cb -0.12 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.43 2ozx s SER 16 CO -0.05 -0.79 0.00 -0.67 0.41 0.00 0.00 173.24 172.14 2ozx n ASP 17 N -1.17 0.00 0.00 2.44 2.03 -1.26 -4.94 116.55 113.65 2ozx n ASP 17 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2ozx n ASP 17 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 2ozx n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ozx n GLY 18 N -0.90 -0.32 3.15 0.27 0.00 -1.26 -5.01 105.19 101.11 2ozx n GLY 18 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2ozx n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ozx s VAL 19 N -1.82 1.24 0.04 1.61 1.01 -1.26 -1.13 120.40 120.09 2ozx s VAL 19 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 2ozx s VAL 19 Cb 0.00 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.35 2ozx s VAL 19 CO 0.00 0.20 0.45 0.72 0.00 0.00 0.00 175.10 176.47 2ozx s PHE 20 N -0.59 -0.32 0.32 5.22 -0.71 -0.41 -4.88 117.98 116.62 2ozx s PHE 20 Ca 0.05 0.33 -0.13 0.00 -1.04 0.00 0.00 56.93 56.14 2ozx s PHE 20 Cb -0.07 0.25 -0.08 0.00 -1.21 0.00 0.00 43.02 41.91 2ozx s PHE 20 CO 0.00 -0.58 0.71 0.15 -1.34 0.00 0.00 175.22 174.16 2ozx s LYS 21 N -2.35 3.91 0.08 1.99 1.02 -1.26 -1.36 119.74 121.76 2ozx s LYS 21 Ca -0.06 0.53 -0.07 0.00 0.02 0.00 0.00 55.97 56.40 2ozx s LYS 21 Cb -0.01 -2.46 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 2ozx s LYS 21 CO -0.01 0.14 0.14 1.52 -0.92 0.00 0.00 175.35 176.22 2ozx s TYR 22 N -2.05 0.24 -0.00 3.18 1.13 -0.41 -3.29 117.35 116.15 2ozx s TYR 22 Ca 0.52 -0.70 0.03 0.00 -1.41 0.00 0.00 57.07 55.51 2ozx s TYR 22 Cb -0.10 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 2ozx s TYR 22 CO 0.22 -0.50 -0.09 0.54 -2.51 0.00 0.00 175.55 173.20 2ozx s VAL 23 N -3.86 0.73 -0.28 -3.49 0.11 0.15 -1.16 120.40 112.61 2ozx s VAL 23 Ca 0.05 -0.44 -0.13 0.00 -2.93 0.00 0.00 61.98 58.54 2ozx s VAL 23 Cb 0.06 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2ozx s VAL 23 CO -0.11 0.18 0.27 -0.22 -3.33 0.00 0.00 175.10 171.89 2ozx s LEU 24 N -0.29 4.03 -0.06 2.54 2.96 0.07 -1.98 118.68 125.95 2ozx s LEU 24 Ca 0.03 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2ozx s LEU 24 Cb -0.04 -2.25 -0.00 0.00 0.50 0.00 0.00 46.19 44.41 2ozx s LEU 24 CO -0.00 -0.11 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.10 2ozx s ILE 25 N 1.89 1.63 -0.02 6.68 1.01 -0.63 -0.92 121.20 130.83 2ozx s ILE 25 Ca 0.10 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 2ozx s ILE 25 Cb -0.16 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 2ozx s ILE 25 CO 0.11 0.46 0.69 -0.60 0.00 0.00 0.00 174.94 175.60 2ozx s ARG 26 N 0.20 4.42 -0.09 2.79 3.52 0.15 -0.65 118.95 129.29 2ozx s ARG 26 Ca -0.10 0.88 -0.02 0.00 -0.13 0.00 0.00 55.73 56.37 2ozx s ARG 26 Cb -0.14 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 2ozx s ARG 26 CO 0.04 0.20 0.01 0.14 -0.81 0.00 0.00 175.30 174.88 2ozx s VAL 27 N 0.31 4.36 -0.18 7.11 -7.23 0.16 -1.16 120.40 123.76 2ozx s VAL 27 Ca 0.36 -0.23 -0.02 0.00 -1.81 0.00 0.00 61.98 60.28 2ozx s VAL 27 Cb -0.19 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 2ozx s VAL 27 CO 0.19 0.61 -0.11 -1.00 -0.31 0.00 0.00 175.10 174.48 2ozx s HIS 28 N -0.87 2.87 0.44 2.82 0.09 0.01 -1.65 115.29 118.99 2ozx s HIS 28 Ca 0.13 -0.96 -0.24 0.00 -0.00 0.00 0.00 55.06 53.99 2ozx s HIS 28 Cb -0.11 -1.97 -0.08 0.00 -0.00 0.00 0.00 32.58 30.42 2ozx s HIS 28 CO 0.02 -0.47 1.20 -1.54 -0.00 0.00 0.00 174.74 173.95 2ozx s SER 29 N 1.02 6.23 -0.48 1.40 1.04 0.09 -1.07 113.70 121.94 2ozx s SER 29 Ca -0.01 2.39 0.06 0.00 0.48 0.00 0.00 55.95 58.87 2ozx s SER 29 Cb -0.15 -2.61 0.26 0.00 0.10 0.00 0.00 66.02 63.62 2ozx s SER 29 CO -0.02 -0.88 0.93 0.00 0.98 0.00 0.00 173.24 174.25 2ozx n ALA 30 N -0.28 -1.16 -1.67 5.32 0.00 -0.04 -4.18 120.51 118.50 2ozx n ALA 30 Ca 0.06 -1.48 -0.47 0.00 0.00 0.00 0.00 53.44 51.55 2ozx n ALA 30 Cb 0.47 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 2ozx n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ozx n PRO 31 N 1.36 2.08 -3.92 0.00 -0.02 -1.05 -0.64 135.00 132.81 2ozx n PRO 31 Ca 0.09 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 2ozx n PRO 31 Cb 0.64 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 2ozx n PRO 31 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2ozx n ARG 32 N 4.16 -0.94 -2.59 -0.52 3.00 -1.26 -1.31 116.66 117.20 2ozx n ARG 32 Ca 0.19 0.11 -0.14 0.00 -0.00 0.00 0.00 57.85 58.00 2ozx n ARG 32 Cb 0.28 -4.00 -0.00 0.00 0.00 0.00 0.00 32.46 28.73 2ozx n ARG 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2ozx n SER 33 N -1.91 -3.94 0.00 6.15 7.64 0.19 -4.63 113.62 117.12 2ozx n SER 33 Ca 0.09 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2ozx n SER 33 Cb 0.39 -3.33 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 2ozx n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ozx n GLY 34 N -0.88 0.04 3.75 0.23 0.00 -0.68 -5.12 105.19 102.53 2ozx n GLY 34 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2ozx n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ozx s ALA 35 N 0.00 2.55 -1.49 4.61 0.00 -0.43 -4.89 121.76 122.10 2ozx s ALA 35 Ca 0.00 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 2ozx s ALA 35 Cb 0.00 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 2ozx s ALA 35 CO 0.00 -1.18 2.73 -0.35 0.00 0.00 0.00 175.76 176.96 2ozx n PRO 36 N -1.57 3.33 -3.86 0.00 -0.04 -1.26 -4.56 135.00 127.05 2ozx n PRO 36 Ca 0.14 -2.15 -0.12 0.00 -0.04 0.00 0.00 63.50 61.32 2ozx n PRO 36 Cb 0.49 -2.82 -0.14 0.00 -0.04 0.00 0.00 33.50 30.99 2ozx n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ozx s ALA 37 N 2.54 -0.04 0.00 0.55 0.00 -1.26 -5.05 121.76 118.50 2ozx s ALA 37 Ca 0.63 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.76 2ozx s ALA 37 Cb 0.16 -0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.39 2ozx s ALA 37 CO -0.06 -0.02 1.01 0.00 0.00 0.00 0.00 175.76 176.69 2ozx n ALA 38 N 3.17 2.92 -1.09 0.00 0.00 -1.26 -4.16 120.51 120.09 2ozx n ALA 38 Ca -0.13 -1.24 -0.30 0.00 0.00 0.00 0.00 53.44 51.77 2ozx n ALA 38 Cb 0.59 -0.46 0.15 0.00 0.00 0.00 0.00 19.45 19.73 2ozx n ALA 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ozx s GLU 39 N 0.00 1.11 0.05 0.00 2.02 -1.26 -4.68 118.70 115.94 2ozx s GLU 39 Ca 0.12 0.93 -0.01 0.00 0.02 0.00 0.00 54.97 56.03 2ozx s GLU 39 Cb 0.14 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.55 2ozx s GLU 39 CO -0.06 -2.37 -0.03 -1.12 0.02 0.00 0.00 175.26 171.69 2ozx s SER 40 N -3.26 0.53 0.26 -0.19 0.01 -1.26 -0.73 113.70 109.06 2ozx s SER 40 Ca 0.64 -0.96 -0.10 0.00 1.31 0.00 0.00 55.95 56.84 2ozx s SER 40 Cb -0.19 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 2ozx s SER 40 CO 0.58 -0.56 0.45 -1.59 0.41 0.00 0.00 173.24 172.52 2ozx s LYS 41 N -3.72 1.58 0.10 12.44 -2.85 -0.66 -5.00 119.74 121.63 2ozx s LYS 41 Ca 0.06 -1.37 -0.02 0.00 -1.00 0.00 0.00 55.97 53.64 2ozx s LYS 41 Cb 0.06 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 36.24 2ozx s LYS 41 CO -0.09 -0.65 0.28 -1.21 0.10 0.00 0.00 175.35 173.78 2ozx s GLU 42 N -3.84 3.51 0.04 1.78 8.01 -1.26 -0.67 118.70 126.26 2ozx s GLU 42 Ca 0.25 -0.31 0.02 0.00 0.01 0.00 0.00 54.97 54.93 2ozx s GLU 42 Cb 0.00 -2.96 -0.02 0.00 -4.31 0.00 0.00 34.13 26.83 2ozx s GLU 42 CO 0.11 0.55 -0.06 0.96 0.01 0.00 0.00 175.26 176.83 2ozx s ILE 43 N -1.58 0.43 -0.20 -1.63 -4.36 0.18 -4.94 121.20 109.11 2ozx s ILE 43 Ca 0.37 -1.10 -0.06 0.00 -0.26 0.00 0.00 60.65 59.61 2ozx s ILE 43 Cb -0.13 -0.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.96 2ozx s ILE 43 CO 0.27 -0.45 0.02 -0.69 0.24 0.00 0.00 174.94 174.32 2ozx s VAL 44 N -1.58 4.20 -0.03 8.37 1.01 -0.78 -1.61 120.40 129.98 2ozx s VAL 44 Ca -0.10 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2ozx s VAL 44 Cb -0.09 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.40 2ozx s VAL 44 CO -0.00 0.43 -0.08 -0.13 0.00 0.00 0.00 175.10 175.32 2ozx s ARG 45 N 0.83 0.90 -0.30 2.72 1.81 -0.84 -2.16 118.95 121.92 2ozx s ARG 45 Ca 0.01 -0.26 -0.16 0.00 -1.72 0.00 0.00 55.73 53.61 2ozx s ARG 45 Cb -0.14 -0.85 0.18 0.00 -0.45 0.00 0.00 34.95 33.69 2ozx s ARG 45 CO 0.02 0.08 1.09 0.20 -0.68 0.00 0.00 175.30 176.00 2ozx s GLY 46 N 0.30 -0.10 -0.02 -3.53 0.00 -1.19 -0.68 107.32 102.11 2ozx s GLY 46 Ca -0.05 3.15 0.00 0.00 0.00 0.00 0.00 44.72 47.83 2ozx s GLY 46 CO 0.00 3.43 0.00 -0.19 0.00 0.00 0.00 173.10 176.34 2ozx s TYR 47 N 2.47 0.23 0.36 1.90 2.02 -1.21 -1.33 117.35 121.78 2ozx s TYR 47 Ca -0.01 0.02 0.37 0.00 -0.37 0.00 0.00 57.07 57.07 2ozx s TYR 47 Cb -0.06 -0.31 1.99 0.00 -0.40 0.00 0.00 41.96 43.18 2ozx s TYR 47 CO -0.15 -0.09 2.12 1.57 -1.57 0.00 0.00 175.55 177.42 2ozx h LYS 48 N 7.02 0.00 0.00 -0.62 2.10 -1.68 -2.17 116.57 121.22 2ozx h LYS 48 Ca -0.40 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.19 2ozx h LYS 48 Cb 1.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2ozx h LYS 48 CO 0.48 0.00 -0.28 0.11 -2.00 0.00 0.00 179.45 177.76 2ozx h TRP 49 N 0.00 0.00 -4.18 0.07 5.08 -1.96 -3.43 115.95 111.52 2ozx h TRP 49 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 2ozx h TRP 49 Cb 0.01 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.19 2ozx h TRP 49 CO 0.00 0.28 0.37 0.00 -1.28 0.00 0.00 178.44 177.82 2ozx s ALA 50 N -4.15 3.00 0.00 0.11 0.00 -0.82 -4.99 121.76 114.91 2ozx s ALA 50 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2ozx s ALA 50 Cb 0.14 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2ozx s ALA 50 CO 0.68 -0.31 0.04 0.39 0.00 0.00 0.00 175.76 176.56 2ozx n GLU 51 N -1.56 1.29 -0.10 0.00 1.02 -1.26 -4.79 120.64 115.24 2ozx n GLU 51 Ca 0.07 -0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.17 2ozx n GLU 51 Cb 0.54 -0.30 0.01 0.00 -0.02 0.00 0.00 31.44 31.67 2ozx n GLU 51 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2ozx n TYR 52 N -0.20 0.00 0.00 -0.32 4.01 -1.26 -5.04 117.16 114.35 2ozx n TYR 52 Ca 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2ozx n TYR 52 Cb 0.06 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2ozx n TYR 52 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2ozx n HIS 53 N -0.19 0.00 0.20 -0.72 8.25 -1.26 -4.53 115.22 116.97 2ozx n HIS 53 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 2ozx n HIS 53 Cb 0.50 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.25 2ozx n HIS 53 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ozx h ALA 54 N 0.00 2.08 -0.15 -1.41 0.00 -1.98 -1.22 119.26 116.57 2ozx h ALA 54 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2ozx h ALA 54 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ozx h ALA 54 CO 0.00 -0.10 -0.29 0.22 0.00 0.00 0.00 179.25 179.08 2ozx h ASP 55 N 0.02 0.29 0.33 0.00 3.58 -2.00 0.59 116.42 119.24 2ozx h ASP 55 Ca 0.05 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2ozx h ASP 55 Cb 0.17 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2ozx h ASP 55 CO -0.00 0.57 -0.16 0.40 -2.88 0.00 0.00 179.24 177.17 2ozx h ILE 56 N 0.26 0.60 -0.98 2.25 2.04 -1.61 -2.66 117.51 117.41 2ozx h ILE 56 Ca 0.04 -0.64 0.12 0.00 1.00 0.00 0.00 64.86 65.38 2ozx h ILE 56 Cb 0.64 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 2ozx h ILE 56 CO 0.05 0.11 0.62 0.22 0.00 0.00 0.00 178.15 179.15 2ozx h TYR 57 N -0.84 1.08 0.07 1.37 3.20 -1.24 -0.66 116.97 119.96 2ozx h TYR 57 Ca -0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2ozx h TYR 57 Cb 0.52 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2ozx h TYR 57 CO 0.03 0.43 -0.03 0.22 -1.64 0.00 0.00 178.16 177.16 2ozx h ASP 58 N 0.94 -0.08 -0.39 -2.11 3.58 -0.92 0.44 116.42 117.88 2ozx h ASP 58 Ca 0.49 -0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.86 2ozx h ASP 58 Cb 0.52 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2ozx h ASP 58 CO -0.25 0.02 0.20 0.11 -2.88 0.00 0.00 179.24 176.43 2ozx h LYS 59 N -0.17 0.56 -0.28 0.28 6.56 -0.99 -1.45 116.57 121.08 2ozx h LYS 59 Ca -0.01 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.47 2ozx h LYS 59 Cb 0.14 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 2ozx h LYS 59 CO 0.02 0.48 0.06 0.28 -2.06 0.00 0.00 179.45 178.22 2ozx h VAL 60 N 0.50 1.22 -0.66 0.50 2.07 -1.10 -1.28 116.25 117.51 2ozx h VAL 60 Ca 0.14 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2ozx h VAL 60 Cb 0.10 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2ozx h VAL 60 CO -0.02 0.24 0.43 0.28 0.02 0.00 0.00 177.57 178.53 2ozx h SER 61 N 0.28 0.69 0.11 0.57 0.02 -0.66 0.60 113.55 115.16 2ozx h SER 61 Ca 0.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2ozx h SER 61 Cb 0.31 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2ozx h SER 61 CO 0.00 0.48 -0.05 1.23 -1.14 0.00 0.00 176.83 177.35 2ozx h GLY 62 N 0.80 -0.16 1.00 -3.77 0.00 -0.92 -2.68 103.07 97.34 2ozx h GLY 62 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2ozx h GLY 62 CO -0.07 -0.06 0.31 -1.80 0.00 0.00 0.00 176.54 174.92 2ozx h ASP 63 N -0.33 0.55 -0.20 0.19 3.58 -0.40 -2.70 116.42 117.11 2ozx h ASP 63 Ca -0.02 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 2ozx h ASP 63 Cb 0.27 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2ozx h ASP 63 CO 0.03 0.41 -0.05 0.24 -2.88 0.00 0.00 179.24 176.99 2ozx h MET 64 N 0.64 0.53 -0.47 0.28 2.86 -0.94 -0.53 114.93 117.30 2ozx h MET 64 Ca 0.17 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2ozx h MET 64 Cb -0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2ozx h MET 64 CO -0.04 0.60 -0.04 1.96 1.06 0.00 0.00 176.91 180.45 2ozx h GLN 65 N 0.50 0.82 -0.60 1.72 4.20 -1.23 0.18 115.11 120.69 2ozx h GLN 65 Ca 0.10 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 2ozx h GLN 65 Cb 0.41 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2ozx h GLN 65 CO 0.02 0.85 0.24 0.87 -0.67 0.00 0.00 178.83 180.13 2ozx h LYS 66 N 0.75 0.88 0.18 1.46 1.57 -0.84 -3.10 116.57 117.46 2ozx h LYS 66 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2ozx h LYS 66 Cb 0.51 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2ozx h LYS 66 CO 0.03 0.72 -0.09 1.96 -0.57 0.00 0.00 179.45 181.50 2ozx h GLN 67 N 0.87 -0.23 0.00 3.15 1.08 -0.39 -3.48 115.11 116.10 2ozx h GLN 67 Ca 0.21 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2ozx h GLN 67 Cb 0.17 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2ozx h GLN 67 CO -0.02 0.10 0.00 0.41 -0.95 0.00 0.00 178.83 178.37 2ozx n GLY 68 N -0.26 0.88 3.28 3.46 0.00 0.38 -3.27 105.19 109.66 2ozx n GLY 68 Ca -0.09 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2ozx n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ozx s ASP 70 N -3.06 2.10 0.22 0.00 2.15 -0.23 -3.21 116.67 114.63 2ozx s ASP 70 Ca 0.27 -1.09 0.09 0.00 0.43 0.00 0.00 52.55 52.25 2ozx s ASP 70 Cb 0.05 -0.05 -0.05 0.00 -0.30 0.00 0.00 42.92 42.57 2ozx s ASP 70 CO 0.06 -0.34 -0.15 0.00 -0.17 0.00 0.00 175.17 174.57 2ozx s GLU 72 N -3.62 0.25 -0.18 0.00 2.56 -0.31 -4.98 118.70 112.42 2ozx s GLU 72 Ca 0.24 0.65 -0.29 0.00 0.00 0.00 0.00 54.97 55.57 2ozx s GLU 72 Cb -0.01 -0.30 -0.04 0.00 2.00 0.00 0.00 34.13 35.77 2ozx s GLU 72 CO 0.08 -0.45 1.76 0.00 -0.56 0.00 0.00 175.26 176.09 2ozx h LEU 74 N 11.99 0.00 0.00 0.00 3.38 -1.38 -3.48 115.31 125.82 2ozx h LEU 74 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2ozx h LEU 74 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ozx h LEU 74 CO 0.99 0.81 0.00 0.61 0.09 0.00 0.00 178.44 180.94 2ozx n GLY 75 N 0.98 -2.37 3.02 0.83 0.00 -1.19 -4.78 105.19 101.68 2ozx n GLY 75 Ca -0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 2ozx n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ozx n GLY 76 N -0.65 1.57 0.00 -0.02 0.00 -0.46 -0.75 105.19 104.89 2ozx n GLY 76 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2ozx n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ozx n GLY 77 N -0.46 1.50 3.19 -0.02 0.00 -0.30 -1.33 105.19 107.77 2ozx n GLY 77 Ca -0.04 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 2ozx n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ozx s ARG 78 N 1.16 0.89 -0.00 1.61 0.52 0.01 -1.29 118.95 121.85 2ozx s ARG 78 Ca 0.00 -1.15 0.02 0.00 -0.52 0.00 0.00 55.73 54.08 2ozx s ARG 78 Cb 0.00 -0.66 -0.01 0.00 0.52 0.00 0.00 34.95 34.80 2ozx s ARG 78 CO 0.00 0.12 -0.08 0.42 0.02 0.00 0.00 175.30 175.78 2ozx s ILE 79 N -2.22 0.59 0.00 1.52 1.01 -0.46 -1.24 121.20 120.40 2ozx s ILE 79 Ca 0.05 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 2ozx s ILE 79 Cb -0.04 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 41.95 2ozx s ILE 79 CO 0.01 0.14 0.38 -0.44 0.00 0.00 0.00 174.94 175.03 2ozx s SER 80 N -0.25 -0.27 -0.13 3.58 0.01 -0.86 -1.28 113.70 114.50 2ozx s SER 80 Ca 0.02 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.10 2ozx s SER 80 Cb -0.03 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2ozx s SER 80 CO -0.00 -0.54 1.11 -1.00 0.41 0.00 0.00 173.24 173.22 2ozx s HIS 81 N -1.74 3.27 -1.27 2.43 3.76 -0.28 -1.70 115.29 119.77 2ozx s HIS 81 Ca -0.10 1.36 -0.08 0.00 -0.15 0.00 0.00 55.06 56.09 2ozx s HIS 81 Cb -0.03 -3.33 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 2ozx s HIS 81 CO 0.03 -0.84 0.65 1.04 -0.85 0.00 0.00 174.74 174.77 2ozx n GLN 82 N 5.62 -2.88 0.15 1.40 6.02 -1.00 -4.89 117.38 121.79 2ozx n GLN 82 Ca 0.11 0.49 -0.13 0.00 -0.01 0.00 0.00 57.00 57.46 2ozx n GLN 82 Cb 0.47 -4.58 -0.06 0.00 1.02 0.00 0.00 30.24 27.08 2ozx n GLN 82 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2ozx h SER 83 N -1.84 -0.68 -0.14 1.08 4.64 -1.82 -3.39 113.55 111.40 2ozx h SER 83 Ca -0.64 0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 60.51 2ozx h SER 83 Cb 1.36 0.25 -0.18 0.00 -0.31 0.00 0.00 62.40 63.52 2ozx h SER 83 CO 0.55 -0.35 -0.46 1.67 -0.87 0.00 0.00 176.83 177.36 2ozx n GLN 84 N -5.37 1.16 -3.92 4.77 -0.06 -1.26 -5.14 117.38 107.55 2ozx n GLN 84 Ca -0.08 -2.01 -0.09 0.00 -2.00 0.00 0.00 57.00 52.82 2ozx n GLN 84 Cb 0.28 -0.35 -0.06 0.00 -4.06 0.00 0.00 30.24 26.05 2ozx n GLN 84 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2ozx s ASP 85 N -1.42 -0.06 0.38 1.69 -1.08 -1.26 -5.05 116.67 109.87 2ozx s ASP 85 Ca 0.23 -0.81 0.20 0.00 -0.52 0.00 0.00 52.55 51.66 2ozx s ASP 85 Cb 0.39 0.51 0.24 0.00 -1.46 0.00 0.00 42.92 42.60 2ozx s ASP 85 CO -0.07 -0.99 1.54 0.50 0.52 0.00 0.00 175.17 176.66 2ozx h LYS 86 N 2.39 0.00 0.00 4.34 1.63 -2.00 -3.39 116.57 119.55 2ozx h LYS 86 Ca -0.30 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.27 2ozx h LYS 86 Cb 1.24 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.81 2ozx h LYS 86 CO 0.42 0.16 -0.21 0.36 -3.45 0.00 0.00 179.45 176.73 2ozx n LYS 87 N -3.13 0.26 -1.87 1.90 -0.00 -1.26 -4.79 118.16 109.27 2ozx n LYS 87 Ca 0.03 -1.74 -0.38 0.00 -0.00 0.00 0.00 58.31 56.21 2ozx n LYS 87 Cb 0.60 1.48 0.03 0.00 -0.00 0.00 0.00 35.03 37.14 2ozx n LYS 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2ozx s ILE 88 N -2.71 2.26 0.01 0.58 -4.36 -1.25 -2.38 121.20 113.35 2ozx s ILE 88 Ca 0.20 0.20 -0.00 0.00 -0.26 0.00 0.00 60.65 60.79 2ozx s ILE 88 Cb 0.01 -3.10 -0.01 0.00 1.25 0.00 0.00 42.46 40.60 2ozx s ILE 88 CO 0.14 0.00 -0.02 -2.28 0.24 0.00 0.00 174.94 173.03 2ozx s HIS 89 N -1.32 0.20 -0.07 1.37 2.46 -0.69 -3.54 115.29 113.69 2ozx s HIS 89 Ca 0.68 -0.40 0.04 0.00 0.47 0.00 0.00 55.06 55.85 2ozx s HIS 89 Cb -0.39 -0.14 -0.01 0.00 -0.13 0.00 0.00 32.58 31.90 2ozx s HIS 89 CO 0.47 -0.15 -0.21 0.08 -2.47 0.00 0.00 174.74 172.46 2ozx s VAL 90 N -1.15 2.42 0.39 0.89 1.01 -0.46 -2.03 120.40 121.47 2ozx s VAL 90 Ca -0.13 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.79 2ozx s VAL 90 Cb -0.08 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.43 2ozx s VAL 90 CO -0.01 0.56 0.76 0.00 0.00 0.00 0.00 175.10 176.42 2ozx n TYR 91 N 2.98 -2.29 -4.36 5.22 4.11 -0.37 -2.36 117.16 120.08 2ozx n TYR 91 Ca -0.18 -1.86 0.00 0.00 -0.00 0.00 0.00 57.90 55.87 2ozx n TYR 91 Cb 0.52 0.89 0.00 0.00 -0.00 0.00 0.00 39.34 40.75 2ozx n TYR 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ozx n GLY 92 N -0.53 -0.50 3.49 -7.48 0.00 -0.06 -0.81 105.19 99.30 2ozx n GLY 92 Ca -0.08 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 2ozx n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ozx s TYR 93 N 0.00 0.33 0.33 1.61 1.13 -1.26 -4.75 117.35 114.73 2ozx s TYR 93 Ca 0.00 -0.68 0.15 0.00 -1.41 0.00 0.00 57.07 55.13 2ozx s TYR 93 Cb 0.00 0.12 0.76 0.00 -1.10 0.00 0.00 41.96 41.74 2ozx s TYR 93 CO 0.00 -0.89 1.82 0.66 -2.51 0.00 0.00 175.55 174.63 2ozx h SER 94 N 2.34 0.00 -3.50 -0.18 4.64 -1.20 -3.40 113.55 112.25 2ozx h SER 94 Ca -0.28 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.74 2ozx h SER 94 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2ozx h SER 94 CO 0.40 0.37 -0.37 0.80 -0.87 0.00 0.00 176.83 177.16 2ozx n MET 95 N -3.91 -2.05 0.00 4.77 1.56 -1.26 -4.76 117.12 111.47 2ozx n MET 95 Ca -0.01 0.72 0.00 0.00 -0.27 0.00 0.00 57.70 58.13 2ozx n MET 95 Cb 0.43 -5.32 0.00 0.00 2.15 0.00 0.00 33.22 30.48 2ozx n MET 95 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2ozx n ALA 96 N -2.03 1.22 0.00 -5.12 0.00 -1.26 -5.00 120.51 108.32 2ozx n ALA 96 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2ozx n ALA 96 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2ozx n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ozx n TYR 97 N -0.74 0.00 0.00 0.00 4.01 -1.26 -5.09 117.16 114.08 2ozx n TYR 97 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2ozx n TYR 97 Cb 0.00 0.27 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 2ozx n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ozx n GLY 98 N 1.72 0.04 3.76 2.72 0.00 -1.26 -4.98 105.19 107.19 2ozx n GLY 98 Ca 0.00 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 2ozx n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ozx s PRO 99 N -1.94 4.27 0.84 1.61 0.04 -1.26 -1.35 135.00 137.21 2ozx s PRO 99 Ca 0.00 2.32 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 2ozx s PRO 99 Cb 0.00 -3.06 0.10 0.00 0.04 0.00 0.00 34.50 31.58 2ozx s PRO 99 CO 0.00 -0.34 1.11 0.00 0.04 0.00 0.00 177.00 177.81 2ozx s ALA 100 N -0.76 1.83 -1.35 8.56 0.00 -0.51 -4.33 121.76 125.20 2ozx s ALA 100 Ca 0.53 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 2ozx s ALA 100 Cb -0.42 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.46 2ozx s ALA 100 CO 0.52 -2.21 1.91 1.04 0.00 0.00 0.00 175.76 177.02 2ozx n GLN 101 N -3.83 3.10 0.19 0.00 6.02 -1.26 -4.82 117.38 116.77 2ozx n GLN 101 Ca 0.09 -3.08 0.18 0.00 -0.01 0.00 0.00 57.00 54.19 2ozx n GLN 101 Cb 0.53 -3.35 0.81 0.00 1.02 0.00 0.00 30.24 29.25 2ozx n GLN 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ozx h HIS 102 N 6.82 0.00 -0.70 1.08 3.86 -1.98 0.38 115.15 124.61 2ozx h HIS 102 Ca 0.48 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.66 2ozx h HIS 102 Cb 0.77 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.21 2ozx h HIS 102 CO 1.41 0.00 0.30 0.00 0.86 0.00 0.00 177.93 180.50 2ozx h ALA 103 N 1.57 0.91 0.16 2.45 0.00 -1.99 0.15 119.26 122.50 2ozx h ALA 103 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ozx h ALA 103 Cb 0.77 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ozx h ALA 103 CO -0.00 0.51 -0.08 0.82 0.00 0.00 0.00 179.25 180.50 2ozx h ILE 104 N 0.99 0.94 -0.50 0.00 2.04 -1.34 -2.62 117.51 117.02 2ozx h ILE 104 Ca 0.24 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2ozx h ILE 104 Cb 0.17 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 2ozx h ILE 104 CO -0.02 0.11 0.26 0.28 0.00 0.00 0.00 178.15 178.77 2ozx h SER 105 N -0.44 0.38 -0.41 1.72 0.02 -1.35 -1.97 113.55 111.49 2ozx h SER 105 Ca -0.02 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2ozx h SER 105 Cb 0.35 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2ozx h SER 105 CO 0.04 0.26 -0.07 0.71 -1.14 0.00 0.00 176.83 176.63 2ozx h THR 106 N 0.50 1.26 -0.64 -2.27 1.35 -0.68 0.70 112.91 113.14 2ozx h THR 106 Ca 0.22 -1.15 -0.06 0.00 -0.55 0.00 0.00 66.41 64.87 2ozx h THR 106 Cb 0.12 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2ozx h THR 106 CO -0.15 0.40 0.17 -0.33 -0.25 0.00 0.00 175.52 175.36 2ozx h GLU 107 N 0.77 1.02 -0.19 4.72 5.08 -1.24 0.11 114.58 124.85 2ozx h GLU 107 Ca 0.13 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2ozx h GLU 107 Cb 0.57 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2ozx h GLU 107 CO 0.03 0.91 0.06 0.87 -1.00 0.00 0.00 179.01 179.89 2ozx h LYS 108 N 0.94 0.29 -0.88 2.33 1.57 -0.95 -0.75 116.57 119.12 2ozx h LYS 108 Ca 0.20 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2ozx h LYS 108 Cb 0.34 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2ozx h LYS 108 CO 0.00 0.39 0.57 0.82 -0.57 0.00 0.00 179.45 180.66 2ozx h ILE 109 N 0.13 1.23 -0.70 1.86 2.04 -0.71 -1.66 117.51 119.70 2ozx h ILE 109 Ca 0.06 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2ozx h ILE 109 Cb 0.22 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 2ozx h ILE 109 CO -0.00 0.23 0.32 0.50 0.00 0.00 0.00 178.15 179.20 2ozx h LYS 110 N 1.20 1.00 -0.07 2.37 3.64 -0.30 -0.04 116.57 124.39 2ozx h LYS 110 Ca 0.32 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2ozx h LYS 110 Cb -0.11 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 2ozx h LYS 110 CO -0.07 0.79 -0.23 0.00 -2.27 0.00 0.00 179.45 177.67 2ozx h ALA 111 N 1.35 1.49 0.00 5.00 0.00 -0.39 -1.95 119.26 124.76 2ozx h ALA 111 Ca 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2ozx h ALA 111 Cb 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ozx h ALA 111 CO -0.03 0.37 -0.14 -0.22 0.00 0.00 0.00 179.25 179.23 2ozx h LYS 112 N 0.11 0.00 -6.85 0.00 1.63 -0.35 -3.49 116.57 107.63 2ozx h LYS 112 Ca 0.02 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.25 2ozx h LYS 112 Cb 0.48 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 31.94 2ozx h LYS 112 CO 0.03 0.14 -0.92 2.48 -3.45 0.00 0.00 179.45 177.73 2ozx n TYR 113 N -3.21 -1.44 -1.23 1.91 0.18 -0.15 -5.02 117.16 108.20 2ozx n TYR 113 Ca 0.01 0.69 -0.29 0.00 1.88 0.00 0.00 57.90 60.19 2ozx n TYR 113 Cb 0.46 -3.08 0.21 0.00 -0.38 0.00 0.00 39.34 36.54 2ozx n TYR 113 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 2ozx s PRO 114 N -7.02 -0.41 3.64 -3.48 0.04 -1.26 -4.81 135.00 121.70 2ozx s PRO 114 Ca 0.15 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2ozx s PRO 114 Cb -0.09 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2ozx s PRO 114 CO 0.95 -3.20 0.00 -3.47 0.04 0.00 0.00 177.00 171.33 2ozx n ASP 115 N -4.42 0.00 0.00 6.66 2.03 -1.26 -4.25 116.55 115.30 2ozx n ASP 115 Ca 0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.42 2ozx n ASP 115 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2ozx n ASP 115 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2ozx n TYR 116 N 14.00 0.00 -3.62 -0.67 4.01 -1.26 -5.10 117.16 124.52 2ozx n TYR 116 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2ozx n TYR 116 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2ozx n TYR 116 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2ozx s GLU 117 N -1.33 1.22 -0.01 -0.72 2.56 -1.26 -5.11 118.70 114.06 2ozx s GLU 117 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.97 54.40 2ozx s GLU 117 Cb 0.00 0.48 0.01 0.00 2.00 0.00 0.00 34.13 36.63 2ozx s GLU 117 CO 0.00 -0.55 0.01 0.08 -0.56 0.00 0.00 175.26 174.24 2ozx s VAL 118 N -3.48 0.01 0.22 3.70 1.01 -1.26 -3.83 120.40 116.77 2ozx s VAL 118 Ca 0.07 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 2ozx s VAL 118 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 2ozx s VAL 118 CO -0.04 0.05 0.27 0.42 0.00 0.00 0.00 175.10 175.81 2ozx s THR 119 N 0.52 0.00 0.20 3.92 -4.23 -1.23 -5.01 115.64 109.81 2ozx s THR 119 Ca -0.04 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.65 2ozx s THR 119 Cb -0.07 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 2ozx s THR 119 CO -0.01 0.00 0.23 -1.66 -0.54 0.00 0.00 174.62 172.64 2ozx s TRP 120 N -4.10 0.83 -0.02 3.99 1.48 -1.26 -1.36 118.94 118.50 2ozx s TRP 120 Ca 0.32 -1.12 -0.12 0.00 -1.06 0.00 0.00 56.10 54.12 2ozx s TRP 120 Cb 0.04 -0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.07 2ozx s TRP 120 CO 0.11 -0.73 0.27 0.00 -4.06 0.00 0.00 176.95 172.54 2ozx s ALA 121 N -4.09 -0.67 -1.19 2.67 0.00 -1.00 -4.93 121.76 112.56 2ozx s ALA 121 Ca 0.30 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 2ozx s ALA 121 Cb 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2ozx s ALA 121 CO 0.09 -0.23 2.87 -1.71 0.00 0.00 0.00 175.76 176.77 2ozx n ASN 122 N 1.49 7.84 -3.99 0.00 5.15 -1.26 -4.42 115.26 120.07 2ozx n ASN 122 Ca -0.21 -2.79 -0.10 0.00 -0.60 0.00 0.00 54.58 50.88 2ozx n ASN 122 Cb 0.56 -1.45 -0.06 0.00 -0.53 0.00 0.00 39.78 38.30 2ozx n ASN 122 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ozx s ASP 123 N 1.42 -0.04 -0.26 1.20 2.15 -1.26 -4.96 116.67 114.91 2ozx s ASP 123 Ca 0.64 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.68 2ozx s ASP 123 Cb 0.22 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.36 2ozx s ASP 123 CO -0.08 -1.03 0.00 0.61 -0.17 0.00 0.00 175.17 174.50 2ozx n GLY 124 N -0.32 0.41 0.00 2.66 0.00 -1.26 -0.88 105.19 105.80 2ozx n GLY 124 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2ozx n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60