#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ozx s ALA 2 N 0.00 2.32 0.93 3.04 0.00 -1.26 -5.03 121.76 121.76 2ozx s ALA 2 Ca 0.00 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 2ozx s ALA 2 Cb 0.00 -3.50 0.15 0.00 0.00 0.00 0.00 23.12 19.77 2ozx s ALA 2 CO 0.00 -1.60 1.09 0.14 0.00 0.00 0.00 175.76 175.39 2ozx s VAL 3 N -1.66 2.53 0.92 0.00 -7.23 -1.26 -5.04 120.40 108.66 2ozx s VAL 3 Ca 0.78 0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 61.01 2ozx s VAL 3 Cb -0.33 -2.54 0.14 0.00 0.56 0.00 0.00 36.38 34.22 2ozx s VAL 3 CO 0.40 -0.22 1.09 0.00 -0.31 0.00 0.00 175.10 176.06 2ozx s ALA 4 N -2.83 1.35 -0.07 1.32 0.00 -1.26 -5.07 121.76 115.20 2ozx s ALA 4 Ca 0.64 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.45 2ozx s ALA 4 Cb -0.19 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.73 2ozx s ALA 4 CO 0.58 -2.53 0.43 0.34 0.00 0.00 0.00 175.76 174.57 2ozx s ASP 5 N -3.23 -0.37 0.58 0.00 2.15 -1.26 -4.73 116.67 109.82 2ozx s ASP 5 Ca 0.64 0.48 0.29 0.00 0.43 0.00 0.00 52.55 54.39 2ozx s ASP 5 Cb -0.19 0.56 1.79 0.00 -0.30 0.00 0.00 42.92 44.77 2ozx s ASP 5 CO 0.58 -0.38 2.24 -0.07 -0.17 0.00 0.00 175.17 177.37 2ozx h LEU 6 N 4.23 0.00 -1.80 -1.34 3.38 -1.96 -0.94 115.31 116.88 2ozx h LEU 6 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2ozx h LEU 6 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ozx h LEU 6 CO 0.34 0.01 -0.15 0.00 0.09 0.00 0.00 178.44 178.73 2ozx h ALA 7 N 1.99 1.44 0.00 1.53 0.00 -2.01 -2.75 119.26 119.46 2ozx h ALA 7 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2ozx h ALA 7 Cb 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ozx h ALA 7 CO 0.00 0.19 -0.60 -0.07 0.00 0.00 0.00 179.25 178.77 2ozx h LEU 8 N 0.00 0.00 -9.22 0.00 3.38 -1.59 -3.43 115.31 104.45 2ozx h LEU 8 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2ozx h LEU 8 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2ozx h LEU 8 CO 0.02 0.60 0.84 -0.63 0.09 0.00 0.00 178.44 179.36 2ozx s ILE 9 N -3.26 4.21 0.30 1.22 1.01 -1.04 -4.99 121.20 118.66 2ozx s ILE 9 Ca 0.01 1.50 -0.28 0.00 0.00 0.00 0.00 60.65 61.88 2ozx s ILE 9 Cb 0.10 -3.97 -0.14 0.00 0.01 0.00 0.00 42.46 38.47 2ozx s ILE 9 CO 0.75 -0.08 1.07 -2.65 0.00 0.00 0.00 174.94 174.03 2ozx n PRO 10 N 6.08 1.51 0.07 2.79 -0.02 -1.26 -4.91 135.00 139.26 2ozx n PRO 10 Ca 0.13 0.53 -0.06 0.00 -2.02 0.00 0.00 63.50 62.08 2ozx n PRO 10 Cb 0.45 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 31.88 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 2.11 0.00 -3.73 2.55 3.58 -1.93 -3.43 116.42 115.57 2ozx h ASP 11 Ca -0.41 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.71 2ozx h ASP 11 Cb 1.33 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 42.07 2ozx h ASP 11 CO 0.61 0.95 -0.75 -0.69 -2.88 0.00 0.00 179.24 176.48 2ozx s VAL 12 N -2.73 0.33 -0.14 2.25 1.01 -1.26 -1.82 120.40 118.03 2ozx s VAL 12 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2ozx s VAL 12 Cb 0.10 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.22 2ozx s VAL 12 CO 0.81 0.12 0.25 -0.62 0.00 0.00 0.00 175.10 175.66 2ozx s ASP 13 N 0.30 0.54 -0.01 3.32 2.15 -0.75 -4.98 116.67 117.24 2ozx s ASP 13 Ca -0.03 0.43 -0.03 0.00 0.43 0.00 0.00 52.55 53.35 2ozx s ASP 13 Cb -0.06 0.61 -0.00 0.00 -0.30 0.00 0.00 42.92 43.17 2ozx s ASP 13 CO -0.00 -0.25 0.06 0.27 -0.17 0.00 0.00 175.17 175.07 2ozx s ILE 14 N 2.40 0.05 -0.48 4.11 -4.36 -1.26 -2.69 121.20 118.96 2ozx s ILE 14 Ca 0.03 -0.40 0.06 0.00 -0.26 0.00 0.00 60.65 60.08 2ozx s ILE 14 Cb -0.13 -0.23 0.21 0.00 1.25 0.00 0.00 42.46 43.57 2ozx s ILE 14 CO -0.09 -0.22 0.74 -0.67 0.24 0.00 0.00 174.94 174.94 2ozx n ASP 15 N 2.29 -2.56 -3.57 4.36 2.03 -1.22 -5.03 116.55 112.84 2ozx n ASP 15 Ca -0.18 -3.00 -0.09 0.00 0.52 0.00 0.00 54.79 52.04 2ozx n ASP 15 Cb 0.57 1.31 -0.02 0.00 -0.72 0.00 0.00 41.12 42.27 2ozx n ASP 15 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ozx s SER 16 N -0.48 -0.01 -0.07 1.67 0.01 -1.26 -4.65 113.70 108.91 2ozx s SER 16 Ca 0.32 -0.94 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 2ozx s SER 16 Cb 0.12 0.72 0.02 0.00 0.21 0.00 0.00 66.02 67.09 2ozx s SER 16 CO -0.15 -1.39 0.17 -0.62 0.41 0.00 0.00 173.24 171.67 2ozx s ASP 17 N -3.02 -0.18 0.00 2.44 2.15 -1.26 -5.07 116.67 111.73 2ozx s ASP 17 Ca 0.17 0.35 0.00 0.00 0.43 0.00 0.00 52.55 53.51 2ozx s ASP 17 Cb -0.04 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 2ozx s ASP 17 CO 0.10 -0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 2ozx n GLY 18 N 3.15 -0.69 3.77 2.66 0.00 -1.26 -4.83 105.19 107.98 2ozx n GLY 18 Ca -0.14 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 2.73 0.01 1.61 1.01 -1.26 -4.12 120.40 120.38 2ozx s VAL 19 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 2ozx s VAL 19 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2ozx s VAL 19 CO 0.00 0.11 0.32 0.72 0.00 0.00 0.00 175.10 176.25 2ozx s PHE 20 N -1.25 -0.17 0.53 5.22 -0.71 -0.22 -4.86 117.98 116.53 2ozx s PHE 20 Ca 0.55 0.17 -0.20 0.00 -1.04 0.00 0.00 56.93 56.41 2ozx s PHE 20 Cb -0.37 0.11 -0.06 0.00 -1.21 0.00 0.00 43.02 41.48 2ozx s PHE 20 CO 0.48 -0.45 1.11 0.15 -1.34 0.00 0.00 175.22 175.18 2ozx s LYS 21 N -1.86 3.43 0.08 1.99 1.02 -1.25 -0.98 119.74 122.17 2ozx s LYS 21 Ca -0.10 1.56 -0.08 0.00 0.02 0.00 0.00 55.97 57.37 2ozx s LYS 21 Cb -0.03 -2.02 -0.00 0.00 -0.52 0.00 0.00 37.83 35.25 2ozx s LYS 21 CO 0.01 -0.77 0.17 1.52 -0.92 0.00 0.00 175.35 175.36 2ozx s TYR 22 N -1.82 0.17 0.01 3.18 1.13 -0.69 -1.76 117.35 117.58 2ozx s TYR 22 Ca 0.72 -0.59 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 2ozx s TYR 22 Cb -0.22 -0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.54 2ozx s TYR 22 CO 0.26 -0.51 -0.04 0.54 -2.51 0.00 0.00 175.55 173.29 2ozx s VAL 23 N -3.71 0.23 -0.23 -3.49 0.11 -0.03 -1.51 120.40 111.76 2ozx s VAL 23 Ca 0.04 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.46 2ozx s VAL 23 Cb 0.04 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2ozx s VAL 23 CO -0.10 -0.22 0.05 -0.22 -3.33 0.00 0.00 175.10 171.28 2ozx s LEU 24 N -0.83 3.43 -0.08 2.54 0.20 -0.04 -1.67 118.68 122.24 2ozx s LEU 24 Ca -0.07 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.60 2ozx s LEU 24 Cb -0.06 -1.90 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 2ozx s LEU 24 CO -0.00 0.01 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.26 2ozx s ILE 25 N 1.35 1.54 -0.02 6.68 1.01 -0.51 -1.14 121.20 130.11 2ozx s ILE 25 Ca 0.05 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.68 2ozx s ILE 25 Cb -0.15 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 2ozx s ILE 25 CO 0.03 0.44 0.98 -0.60 0.00 0.00 0.00 174.94 175.80 2ozx s ARG 26 N 0.51 4.54 0.01 2.79 6.06 0.25 -0.70 118.95 132.41 2ozx s ARG 26 Ca -0.16 1.41 0.08 0.00 -2.50 0.00 0.00 55.73 54.56 2ozx s ARG 26 Cb -0.17 -3.47 -0.03 0.00 0.06 0.00 0.00 34.95 31.34 2ozx s ARG 26 CO 0.06 -0.09 -0.24 0.54 -2.50 0.00 0.00 175.30 173.07 2ozx s VAL 27 N 1.17 2.32 -0.05 7.11 0.11 0.24 -1.05 120.40 130.26 2ozx s VAL 27 Ca 0.51 -1.19 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2ozx s VAL 27 Cb -0.21 -1.88 -0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2ozx s VAL 27 CO 0.26 0.46 -0.19 -1.00 -3.33 0.00 0.00 175.10 171.30 2ozx s HIS 28 N -0.75 1.88 0.35 1.54 0.09 0.33 -1.14 115.29 117.59 2ozx s HIS 28 Ca 0.12 -0.56 -0.28 0.00 -0.00 0.00 0.00 55.06 54.34 2ozx s HIS 28 Cb -0.10 -1.26 -0.10 0.00 -0.00 0.00 0.00 32.58 31.12 2ozx s HIS 28 CO 0.01 -0.19 1.33 -1.54 -0.00 0.00 0.00 174.74 174.36 2ozx s SER 29 N 0.02 6.62 -0.33 1.40 1.04 0.07 -0.99 113.70 121.54 2ozx s SER 29 Ca -0.05 2.73 0.16 0.00 0.48 0.00 0.00 55.95 59.28 2ozx s SER 29 Cb -0.12 -2.65 0.45 0.00 0.10 0.00 0.00 66.02 63.80 2ozx s SER 29 CO 0.03 -0.64 1.16 0.00 0.98 0.00 0.00 173.24 174.77 2ozx n ALA 30 N 0.62 2.65 -0.75 5.32 0.00 -0.05 -4.61 120.51 123.69 2ozx n ALA 30 Ca 0.01 -2.33 -0.31 0.00 0.00 0.00 0.00 53.44 50.81 2ozx n ALA 30 Cb 0.42 -0.92 0.16 0.00 0.00 0.00 0.00 19.45 19.11 2ozx n ALA 30 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ozx s PRO 31 N -2.08 1.08 -1.35 0.00 0.04 -0.90 -2.64 135.00 129.15 2ozx s PRO 31 Ca 0.23 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2ozx s PRO 31 Cb 0.41 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 33.22 2ozx s PRO 31 CO -0.03 -2.60 0.00 -2.13 0.04 0.00 0.00 177.00 172.28 2ozx n ARG 32 N -4.11 -1.34 -1.66 4.56 0.00 -1.26 -0.63 116.66 112.22 2ozx n ARG 32 Ca 0.12 0.75 -0.13 0.00 -0.00 0.00 0.00 57.85 58.60 2ozx n ARG 32 Cb 0.52 -5.02 -0.04 0.00 0.00 0.00 0.00 32.46 27.92 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 -0.56 -3.52 0.00 6.15 7.64 -1.08 -4.30 113.62 117.95 2ozx n SER 33 Ca -0.13 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2ozx n SER 33 Cb 0.44 -3.22 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 -0.39 0.00 3.65 0.23 0.00 -0.50 -5.11 105.19 103.07 2ozx n GLY 34 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2ozx n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ozx n ALA 35 N 0.00 -0.58 -0.92 4.61 0.00 0.20 -4.89 120.51 118.92 2ozx n ALA 35 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 53.44 52.76 2ozx n ALA 35 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.22 2ozx n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ozx n PRO 36 N -3.46 2.47 -3.89 0.00 -0.04 -1.26 -4.79 135.00 124.03 2ozx n PRO 36 Ca 0.12 -1.53 -0.11 0.00 -0.04 0.00 0.00 63.50 61.94 2ozx n PRO 36 Cb 0.51 -2.43 -0.12 0.00 -0.04 0.00 0.00 33.50 31.43 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 2.58 -0.15 -0.03 0.55 0.00 -1.26 -5.06 121.76 118.38 2ozx s ALA 37 Ca 0.52 -0.10 0.12 0.00 0.00 0.00 0.00 51.96 52.49 2ozx s ALA 37 Cb 0.16 0.01 0.21 0.00 0.00 0.00 0.00 23.12 23.50 2ozx s ALA 37 CO -0.03 -0.12 1.10 0.00 0.00 0.00 0.00 175.76 176.71 2ozx n ALA 38 N 2.20 3.12 -1.48 0.00 0.00 -1.26 -4.75 120.51 118.35 2ozx n ALA 38 Ca -0.18 -1.44 -0.35 0.00 0.00 0.00 0.00 53.44 51.47 2ozx n ALA 38 Cb 0.57 -0.54 0.07 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.17 2.42 0.10 0.00 0.41 -1.26 -4.78 118.70 115.42 2ozx s GLU 39 Ca 0.15 1.73 -0.06 0.00 -0.41 0.00 0.00 54.97 56.38 2ozx s GLU 39 Cb 0.19 -1.87 -0.02 0.00 -1.78 0.00 0.00 34.13 30.65 2ozx s GLU 39 CO -0.07 -1.61 0.14 -1.12 -0.49 0.00 0.00 175.26 172.10 2ozx s SER 40 N -2.00 0.21 0.33 -0.19 0.01 -1.26 -0.75 113.70 110.05 2ozx s SER 40 Ca 0.74 -0.85 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 2ozx s SER 40 Cb -0.28 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.27 2ozx s SER 40 CO 0.42 -0.73 0.51 -1.59 0.41 0.00 0.00 173.24 172.26 2ozx s LYS 41 N -3.92 1.87 0.01 12.44 -2.85 -0.29 -5.00 119.74 121.99 2ozx s LYS 41 Ca 0.11 -1.61 -0.01 0.00 -1.00 0.00 0.00 55.97 53.46 2ozx s LYS 41 Cb 0.06 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.26 2ozx s LYS 41 CO -0.07 -0.79 0.14 -1.21 0.10 0.00 0.00 175.35 173.52 2ozx s GLU 42 N -3.18 3.25 0.09 1.78 8.01 -1.26 -0.59 118.70 126.80 2ozx s GLU 42 Ca 0.27 -0.44 0.03 0.00 0.01 0.00 0.00 54.97 54.85 2ozx s GLU 42 Cb -0.01 -2.96 -0.04 0.00 -4.31 0.00 0.00 34.13 26.81 2ozx s GLU 42 CO 0.17 0.64 -0.09 0.96 0.01 0.00 0.00 175.26 176.95 2ozx s ILE 43 N -1.31 0.87 -0.13 -1.63 -4.36 0.12 -4.94 121.20 109.82 2ozx s ILE 43 Ca 0.27 -1.61 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 2ozx s ILE 43 Cb -0.12 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 2ozx s ILE 43 CO 0.19 -0.58 -0.11 -0.69 0.24 0.00 0.00 174.94 173.99 2ozx s VAL 44 N -2.46 3.24 0.02 8.37 1.01 -0.76 -1.43 120.40 128.40 2ozx s VAL 44 Ca 0.04 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2ozx s VAL 44 Cb -0.03 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2ozx s VAL 44 CO -0.01 0.52 -0.11 -0.13 0.00 0.00 0.00 175.10 175.38 2ozx s ARG 45 N 0.30 0.78 -0.29 2.72 1.81 -0.67 -1.82 118.95 121.79 2ozx s ARG 45 Ca -0.09 -0.57 -0.16 0.00 -1.72 0.00 0.00 55.73 53.19 2ozx s ARG 45 Cb -0.15 -0.74 0.15 0.00 -0.45 0.00 0.00 34.95 33.76 2ozx s ARG 45 CO 0.05 0.19 1.01 0.20 -0.68 0.00 0.00 175.30 176.07 2ozx s GLY 46 N -0.81 0.08 -0.04 -3.53 0.00 -1.10 -0.85 107.32 101.07 2ozx s GLY 46 Ca 0.01 3.23 -0.17 0.00 0.00 0.00 0.00 44.72 47.79 2ozx s GLY 46 CO 0.00 2.63 0.38 -0.19 0.00 0.00 0.00 173.10 175.92 2ozx s TYR 47 N 1.32 -0.29 -1.47 1.90 1.51 -0.72 -3.45 117.35 116.14 2ozx s TYR 47 Ca -0.09 0.53 0.26 0.00 -1.01 0.00 0.00 57.07 56.76 2ozx s TYR 47 Cb -0.03 0.15 0.77 0.00 -0.11 0.00 0.00 41.96 42.73 2ozx s TYR 47 CO -0.14 -0.39 1.58 0.36 -1.11 0.00 0.00 175.55 175.84 2ozx n LYS 48 N 1.50 0.52 0.29 -0.62 2.85 -1.26 -3.72 118.16 117.72 2ozx n LYS 48 Ca -0.20 -0.28 0.17 0.00 -1.05 0.00 0.00 58.31 56.95 2ozx n LYS 48 Cb 0.56 -1.49 0.88 0.00 -0.65 0.00 0.00 35.03 34.33 2ozx n LYS 48 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 177.40 177.46 2ozx h TRP 49 N 0.69 0.00 -2.81 5.58 5.08 -1.97 -3.43 115.95 119.09 2ozx h TRP 49 Ca 0.00 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.43 2ozx h TRP 49 Cb 0.48 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 2ozx h TRP 49 CO 0.00 0.05 0.92 0.00 -1.28 0.00 0.00 178.44 178.13 2ozx s ALA 50 N -4.13 3.62 0.25 0.11 0.00 -1.24 -4.91 121.76 115.46 2ozx s ALA 50 Ca -0.03 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 2ozx s ALA 50 Cb 0.13 -3.64 0.32 0.00 0.00 0.00 0.00 23.12 19.92 2ozx s ALA 50 CO 0.53 -1.05 1.69 1.49 0.00 0.00 0.00 175.76 178.42 2ozx h GLU 51 N 8.23 0.62 -3.76 0.00 4.57 -1.94 -3.44 114.58 118.86 2ozx h GLU 51 Ca -0.39 -0.23 -0.15 0.00 -1.18 0.00 0.00 59.36 57.41 2ozx h GLU 51 Cb 1.18 -0.04 -0.20 0.00 -0.16 0.00 0.00 28.75 29.53 2ozx h GLU 51 CO 0.92 0.79 -0.58 0.71 -1.18 0.00 0.00 179.01 179.68 2ozx s TYR 52 N -4.59 0.17 0.39 0.92 2.02 -1.26 -5.06 117.35 109.94 2ozx s TYR 52 Ca -0.08 -0.38 0.11 0.00 -0.37 0.00 0.00 57.07 56.35 2ozx s TYR 52 Cb 0.14 -0.13 0.90 0.00 -0.40 0.00 0.00 41.96 42.47 2ozx s TYR 52 CO 0.81 -0.27 1.91 0.45 -1.57 0.00 0.00 175.55 176.88 2ozx h HIS 53 N 4.23 0.66 -0.09 2.71 3.86 -1.96 -1.14 115.15 123.43 2ozx h HIS 53 Ca -0.32 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.94 2ozx h HIS 53 Cb 1.20 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.45 2ozx h HIS 53 CO 0.60 0.27 0.11 0.00 0.86 0.00 0.00 177.93 179.78 2ozx h ALA 54 N 1.62 1.59 -0.37 2.45 0.00 -1.98 -1.07 119.26 121.51 2ozx h ALA 54 Ca 0.38 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 2ozx h ALA 54 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2ozx h ALA 54 CO -0.14 -0.16 -0.19 0.22 0.00 0.00 0.00 179.25 178.98 2ozx h ASP 55 N 0.00 0.70 -0.00 0.00 3.58 -1.61 -0.32 116.42 118.76 2ozx h ASP 55 Ca 0.04 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 2ozx h ASP 55 Cb 0.27 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2ozx h ASP 55 CO -0.00 0.89 0.00 0.40 -2.88 0.00 0.00 179.24 177.65 2ozx h ILE 56 N 0.62 1.21 -0.47 2.25 2.04 -1.35 -1.11 117.51 120.70 2ozx h ILE 56 Ca 0.10 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.39 2ozx h ILE 56 Cb 0.66 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2ozx h ILE 56 CO 0.05 0.16 0.19 0.22 0.00 0.00 0.00 178.15 178.77 2ozx h TYR 57 N -0.26 0.34 -0.33 1.37 3.20 -1.23 -0.24 116.97 119.81 2ozx h TYR 57 Ca 0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2ozx h TYR 57 Cb 0.26 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2ozx h TYR 57 CO 0.01 0.13 0.06 0.22 -1.64 0.00 0.00 178.16 176.95 2ozx h ASP 58 N 0.38 0.52 -0.12 -2.11 3.58 -1.03 -0.28 116.42 117.37 2ozx h ASP 58 Ca 0.22 -0.25 0.01 0.00 0.42 0.00 0.00 57.03 57.43 2ozx h ASP 58 Cb 0.20 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2ozx h ASP 58 CO -0.21 0.64 0.03 0.50 -2.88 0.00 0.00 179.24 177.32 2ozx h LYS 59 N 0.39 0.08 -0.35 0.28 1.63 -0.85 -0.63 116.57 117.11 2ozx h LYS 59 Ca 0.10 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.79 2ozx h LYS 59 Cb 0.34 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2ozx h LYS 59 CO 0.00 0.05 -0.22 0.28 -3.45 0.00 0.00 179.45 176.11 2ozx h VAL 60 N 0.08 1.29 -0.64 2.00 2.07 -1.01 -1.94 116.25 118.09 2ozx h VAL 60 Ca 0.05 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.25 2ozx h VAL 60 Cb 0.04 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2ozx h VAL 60 CO -0.06 0.45 0.42 0.28 0.02 0.00 0.00 177.57 178.68 2ozx h SER 61 N 0.55 0.61 -0.14 0.57 0.02 -0.74 -0.10 113.55 114.33 2ozx h SER 61 Ca 0.07 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2ozx h SER 61 Cb 0.78 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2ozx h SER 61 CO 0.06 0.41 0.06 1.23 -1.14 0.00 0.00 176.83 177.46 2ozx h GLY 62 N 0.71 0.22 0.99 -3.77 0.00 -0.85 -2.70 103.07 97.68 2ozx h GLY 62 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2ozx h GLY 62 CO -0.08 0.11 0.23 -1.80 0.00 0.00 0.00 176.54 175.00 2ozx h ASP 63 N 0.09 0.41 -0.51 0.19 3.58 -0.45 -2.56 116.42 117.18 2ozx h ASP 63 Ca 0.05 -0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2ozx h ASP 63 Cb 0.13 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2ozx h ASP 63 CO -0.01 0.32 0.21 0.24 -2.88 0.00 0.00 179.24 177.12 2ozx h MET 64 N 0.47 0.81 -0.44 0.28 2.86 -1.08 -0.43 114.93 117.41 2ozx h MET 64 Ca 0.13 -0.13 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2ozx h MET 64 Cb -0.03 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2ozx h MET 64 CO -0.03 0.67 0.02 1.96 1.06 0.00 0.00 176.91 180.60 2ozx h GLN 65 N 0.79 0.69 -0.13 1.72 4.20 -1.22 0.13 115.11 121.31 2ozx h GLN 65 Ca 0.19 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 2ozx h GLN 65 Cb 0.18 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2ozx h GLN 65 CO -0.02 0.70 -0.32 0.87 -0.67 0.00 0.00 178.83 179.39 2ozx h LYS 66 N 0.66 0.24 0.44 1.46 1.57 -0.74 -3.21 116.57 116.99 2ozx h LYS 66 Ca 0.14 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2ozx h LYS 66 Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2ozx h LYS 66 CO 0.01 0.54 -0.21 1.96 -0.57 0.00 0.00 179.45 181.18 2ozx h GLN 67 N 0.21 -0.57 0.00 3.15 1.08 -0.34 -3.48 115.11 115.16 2ozx h GLN 67 Ca 0.03 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2ozx h GLN 67 Cb 0.67 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2ozx h GLN 67 CO 0.05 -0.26 0.00 0.41 -0.95 0.00 0.00 178.83 178.08 2ozx n GLY 68 N -0.24 0.52 3.42 3.46 0.00 0.07 -4.23 105.19 108.20 2ozx n GLY 68 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.16 0.35 0.11 0.00 2.15 -0.16 -2.93 116.67 113.03 2ozx s ASP 70 Ca 0.31 -1.06 0.03 0.00 0.43 0.00 0.00 52.55 52.26 2ozx s ASP 70 Cb 0.02 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.87 2ozx s ASP 70 CO 0.15 -0.69 -0.08 0.00 -0.17 0.00 0.00 175.17 174.38 2ozx s GLU 72 N -3.53 0.22 0.14 0.00 2.12 -0.21 -5.00 118.70 112.42 2ozx s GLU 72 Ca 0.11 0.79 -0.31 0.00 0.36 0.00 0.00 54.97 55.91 2ozx s GLU 72 Cb 0.03 0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.36 2ozx s GLU 72 CO -0.03 -0.25 1.59 0.00 -0.54 0.00 0.00 175.26 176.03 2ozx n LEU 74 N 4.45 0.78 0.00 0.00 4.77 -0.29 -4.89 117.00 121.82 2ozx n LEU 74 Ca 0.14 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2ozx n LEU 74 Cb 0.39 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2ozx n LEU 74 CO 0.62 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2ozx n GLY 75 N 1.42 -2.45 1.70 -0.72 0.00 -1.19 -4.70 105.19 99.24 2ozx n GLY 75 Ca -0.11 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.81 2.12 0.00 -0.02 0.00 -0.39 -0.86 105.19 105.24 2ozx n GLY 76 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.27 1.75 3.08 -0.02 0.00 -0.57 -1.39 105.19 107.77 2ozx n GLY 77 Ca -0.02 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 3.21 0.59 0.10 1.61 0.52 0.45 -1.70 118.95 123.73 2ozx s ARG 78 Ca 0.00 -1.01 0.09 0.00 -0.52 0.00 0.00 55.73 54.30 2ozx s ARG 78 Cb 0.00 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.37 2ozx s ARG 78 CO 0.00 -0.03 -0.24 0.42 0.02 0.00 0.00 175.30 175.47 2ozx s ILE 79 N -2.66 1.95 0.11 1.52 1.01 -0.15 -1.10 121.20 121.88 2ozx s ILE 79 Ca -0.01 -1.56 -0.10 0.00 0.00 0.00 0.00 60.65 58.98 2ozx s ILE 79 Cb -0.01 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.73 2ozx s ILE 79 CO -0.04 0.07 0.26 -0.94 0.00 0.00 0.00 174.94 174.30 2ozx s SER 80 N -1.80 0.02 0.15 3.58 1.04 -0.33 -1.06 113.70 115.31 2ozx s SER 80 Ca 0.10 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.67 2ozx s SER 80 Cb -0.10 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.48 2ozx s SER 80 CO 0.04 -0.80 0.72 -1.38 0.98 0.00 0.00 173.24 172.80 2ozx s HIS 81 N -3.87 -0.39 -0.39 5.02 -3.43 -1.26 -0.74 115.29 110.23 2ozx s HIS 81 Ca 0.07 0.13 0.11 0.00 -0.80 0.00 0.00 55.06 54.57 2ozx s HIS 81 Cb 0.04 0.60 0.38 0.00 -1.43 0.00 0.00 32.58 32.16 2ozx s HIS 81 CO -0.09 -0.87 1.03 0.94 -2.00 0.00 0.00 174.74 173.75 2ozx n GLN 82 N -0.38 1.08 -0.19 -0.38 -0.06 -1.22 -4.65 117.38 111.57 2ozx n GLN 82 Ca -0.12 -2.58 0.30 0.00 -2.00 0.00 0.00 57.00 52.60 2ozx n GLN 82 Cb 0.63 -1.03 0.61 0.00 -4.06 0.00 0.00 30.24 26.39 2ozx n GLN 82 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 2ozx h SER 83 N 2.77 0.00 -0.05 1.69 0.02 -1.84 0.13 113.55 116.27 2ozx h SER 83 Ca -0.09 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2ozx h SER 83 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2ozx h SER 83 CO 0.26 0.00 0.06 0.06 -1.14 0.00 0.00 176.83 176.07 2ozx h GLN 84 N 0.00 0.00 0.00 3.45 3.07 -2.00 -3.38 115.11 116.25 2ozx h GLN 84 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.21 2ozx h GLN 84 Cb 2.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.98 2ozx h GLN 84 CO -0.00 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 175.45 2ozx n ASP 85 N -3.72 0.00 -3.99 0.06 2.03 0.23 -5.13 116.55 106.03 2ozx n ASP 85 Ca -0.02 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.16 2ozx n ASP 85 Cb 0.15 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.42 2ozx n ASP 85 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2ozx s LYS 86 N -0.52 0.38 1.07 -0.67 1.02 0.05 -5.07 119.74 116.00 2ozx s LYS 86 Ca 0.00 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 2ozx s LYS 86 Cb 0.00 -0.23 0.23 0.00 -0.52 0.00 0.00 37.83 37.31 2ozx s LYS 86 CO 0.00 0.05 1.06 -1.59 -0.92 0.00 0.00 175.35 173.95 2ozx s LYS 87 N -0.84 -0.14 0.55 1.68 0.00 -1.26 -2.82 119.74 116.90 2ozx s LYS 87 Ca -0.05 0.76 -0.20 0.00 0.00 0.00 0.00 55.97 56.48 2ozx s LYS 87 Cb -0.06 -1.65 -0.05 0.00 0.00 0.00 0.00 37.83 36.07 2ozx s LYS 87 CO -0.00 -3.18 1.16 0.42 0.00 0.00 0.00 175.35 173.75 2ozx s ILE 88 N -2.70 2.96 0.09 3.79 1.01 -1.01 -4.32 121.20 121.03 2ozx s ILE 88 Ca 0.67 0.62 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 2ozx s ILE 88 Cb -0.22 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2ozx s ILE 88 CO 0.61 -0.11 0.03 -2.28 0.00 0.00 0.00 174.94 173.19 2ozx s HIS 89 N -1.67 0.67 0.02 3.97 2.46 0.08 -3.22 115.29 117.60 2ozx s HIS 89 Ca 0.73 -1.13 0.04 0.00 0.47 0.00 0.00 55.06 55.17 2ozx s HIS 89 Cb -0.27 -0.41 -0.02 0.00 -0.13 0.00 0.00 32.58 31.75 2ozx s HIS 89 CO 0.30 -0.47 -0.11 0.08 -2.47 0.00 0.00 174.74 172.08 2ozx s VAL 90 N -3.98 0.85 0.36 0.89 1.01 -0.37 -1.18 120.40 117.97 2ozx s VAL 90 Ca 0.16 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2ozx s VAL 90 Cb 0.07 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.74 2ozx s VAL 90 CO -0.04 0.01 0.83 -0.72 0.00 0.00 0.00 175.10 175.18 2ozx s TYR 91 N -0.70 0.12 0.06 5.22 1.13 -0.26 -1.79 117.35 121.13 2ozx s TYR 91 Ca 0.00 -0.77 0.00 0.00 -1.41 0.00 0.00 57.07 54.89 2ozx s TYR 91 Cb -0.07 0.83 0.00 0.00 -1.10 0.00 0.00 41.96 41.62 2ozx s TYR 91 CO 0.01 -1.49 0.00 0.41 -2.51 0.00 0.00 175.55 171.96 2ozx n GLY 92 N -0.56 -2.01 3.46 5.49 0.00 -1.25 -0.41 105.19 109.91 2ozx n GLY 92 Ca -0.08 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.84 -0.74 -0.80 1.61 -0.85 0.01 -4.66 117.35 111.09 2ozx s TYR 93 Ca 0.00 1.62 -0.25 0.00 -0.52 0.00 0.00 57.07 57.92 2ozx s TYR 93 Cb 0.00 0.34 -0.00 0.00 0.38 0.00 0.00 41.96 42.68 2ozx s TYR 93 CO 0.00 -0.37 1.66 -1.12 -1.52 0.00 0.00 175.55 174.20 2ozx s SER 94 N 0.95 5.69 0.30 -0.18 0.01 -0.49 -4.78 113.70 115.19 2ozx s SER 94 Ca -0.05 -0.46 0.18 0.00 1.31 0.00 0.00 55.95 56.93 2ozx s SER 94 Cb -0.05 -2.55 0.96 0.00 0.21 0.00 0.00 66.02 64.58 2ozx s SER 94 CO -0.08 -2.17 1.51 0.23 0.41 0.00 0.00 173.24 173.13 2ozx n MET 95 N 9.09 0.12 0.10 12.44 0.00 -1.26 -0.47 117.12 137.14 2ozx n MET 95 Ca 0.24 0.60 0.18 0.00 0.00 0.00 0.00 57.70 58.72 2ozx n MET 95 Cb 0.50 -1.97 0.74 0.00 0.00 0.00 0.00 33.22 32.50 2ozx n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ozx h ALA 96 N 1.76 2.16 0.00 3.04 0.00 -1.99 -3.39 119.26 120.84 2ozx h ALA 96 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ozx h ALA 96 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ozx h ALA 96 CO 0.00 -0.50 0.00 0.66 0.00 0.00 0.00 179.25 179.41 2ozx n TYR 97 N -4.06 -0.26 0.00 0.00 4.02 -0.45 -5.08 117.16 111.32 2ozx n TYR 97 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2ozx n TYR 97 Cb 0.49 0.38 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 2ozx n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ozx n GLY 98 N 1.09 1.36 3.65 2.72 0.00 0.38 -4.95 105.19 109.44 2ozx n GLY 98 Ca 0.00 -1.38 -0.46 0.00 0.00 0.00 0.00 46.02 44.18 2ozx n GLY 98 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ozx n PRO 99 N -1.31 1.85 -1.03 1.61 -0.02 -1.26 -1.26 135.00 133.58 2ozx n PRO 99 Ca 0.00 0.66 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 2ozx n PRO 99 Cb 0.00 -2.29 0.14 0.00 -0.02 0.00 0.00 33.50 31.33 2ozx n PRO 99 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ozx s ALA 100 N -0.00 1.62 -1.37 3.55 0.00 -0.82 -4.43 121.76 120.31 2ozx s ALA 100 Ca 0.70 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 2ozx s ALA 100 Cb -0.70 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.14 2ozx s ALA 100 CO 0.49 -2.38 2.15 1.04 0.00 0.00 0.00 175.76 177.06 2ozx n GLN 101 N -3.94 2.75 0.12 0.00 6.02 -1.26 -4.80 117.38 116.26 2ozx n GLN 101 Ca 0.09 -2.60 0.19 0.00 -0.01 0.00 0.00 57.00 54.67 2ozx n GLN 101 Cb 0.53 -3.28 0.77 0.00 1.02 0.00 0.00 30.24 29.28 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 6.39 0.00 -0.70 1.08 3.86 -1.97 0.69 115.15 124.50 2ozx h HIS 102 Ca 0.54 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.70 2ozx h HIS 102 Cb 0.67 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 2ozx h HIS 102 CO 1.43 0.00 0.24 0.00 0.86 0.00 0.00 177.93 180.47 2ozx h ALA 103 N 1.62 1.11 -0.01 2.45 0.00 -1.99 0.13 119.26 122.56 2ozx h ALA 103 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ozx h ALA 103 Cb 0.87 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ozx h ALA 103 CO -0.00 0.62 -0.00 0.82 0.00 0.00 0.00 179.25 180.69 2ozx h ILE 104 N 1.03 1.30 -0.58 0.00 2.04 -1.28 -2.82 117.51 117.20 2ozx h ILE 104 Ca 0.23 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2ozx h ILE 104 Cb 0.25 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2ozx h ILE 104 CO -0.01 0.23 0.36 0.28 0.00 0.00 0.00 178.15 179.00 2ozx h SER 105 N -0.36 0.58 -0.59 1.72 0.02 -1.26 -1.52 113.55 112.14 2ozx h SER 105 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2ozx h SER 105 Cb 0.38 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2ozx h SER 105 CO 0.00 0.41 0.11 0.71 -1.14 0.00 0.00 176.83 176.93 2ozx h THR 106 N 0.71 1.25 -0.69 -2.27 1.35 -0.78 0.58 112.91 113.06 2ozx h THR 106 Ca 0.23 -0.95 -0.06 0.00 -0.55 0.00 0.00 66.41 65.07 2ozx h THR 106 Cb 0.01 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 67.13 2ozx h THR 106 CO -0.09 0.35 0.19 -0.33 -0.25 0.00 0.00 175.52 175.39 2ozx h GLU 107 N 0.87 1.09 -0.12 4.72 4.39 -1.26 0.41 114.58 124.68 2ozx h GLU 107 Ca 0.18 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2ozx h GLU 107 Cb 0.39 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2ozx h GLU 107 CO 0.01 0.95 0.01 0.87 -1.16 0.00 0.00 179.01 179.69 2ozx h LYS 108 N 1.04 0.20 -0.70 2.33 1.57 -0.86 0.19 116.57 120.33 2ozx h LYS 108 Ca 0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2ozx h LYS 108 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2ozx h LYS 108 CO -0.00 0.41 0.45 0.82 -0.57 0.00 0.00 179.45 180.56 2ozx h ILE 109 N -0.04 1.19 -0.46 1.86 2.04 -0.74 -0.60 117.51 120.77 2ozx h ILE 109 Ca 0.04 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.55 2ozx h ILE 109 Cb 0.31 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2ozx h ILE 109 CO 0.00 0.18 0.29 0.50 0.00 0.00 0.00 178.15 179.13 2ozx h LYS 110 N 0.95 0.57 -0.78 2.37 3.64 -0.73 0.40 116.57 122.99 2ozx h LYS 110 Ca 0.26 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2ozx h LYS 110 Cb -0.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 2ozx h LYS 110 CO -0.05 0.38 0.31 0.00 -2.27 0.00 0.00 179.45 177.82 2ozx h ALA 111 N 1.18 1.07 -0.40 5.00 0.00 -0.50 -2.04 119.26 123.58 2ozx h ALA 111 Ca 0.18 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2ozx h ALA 111 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2ozx h ALA 111 CO -0.06 0.66 -0.25 -0.22 0.00 0.00 0.00 179.25 179.38 2ozx h LYS 112 N 1.14 0.83 -2.10 0.00 1.63 -0.62 -3.38 116.57 114.06 2ozx h LYS 112 Ca 0.26 -0.36 -0.56 0.00 -0.85 0.00 0.00 60.65 59.15 2ozx h LYS 112 Cb 0.21 -0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 31.41 2ozx h LYS 112 CO -0.02 0.99 -0.91 0.66 -3.45 0.00 0.00 179.45 176.72 2ozx n TYR 113 N -4.10 1.65 0.46 1.91 4.01 0.09 -4.97 117.16 116.21 2ozx n TYR 113 Ca -0.00 -3.86 0.07 0.00 -0.16 0.00 0.00 57.90 53.95 2ozx n TYR 113 Cb 0.46 -0.45 0.33 0.00 -0.31 0.00 0.00 39.34 39.37 2ozx n TYR 113 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2ozx n PRO 114 N 0.69 0.03 0.07 -0.72 -0.04 -0.78 -2.41 135.00 131.84 2ozx n PRO 114 Ca 0.26 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 64.09 2ozx n PRO 114 Cb 0.50 -1.56 0.35 0.00 -0.04 0.00 0.00 33.50 32.76 2ozx n PRO 114 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ozx n ASP 115 N -1.62 0.31 -4.13 3.54 2.03 -1.26 -4.72 116.55 110.71 2ozx n ASP 115 Ca 0.03 0.60 -0.15 0.00 0.52 0.00 0.00 54.79 55.79 2ozx n ASP 115 Cb 0.17 -0.66 -0.12 0.00 -0.72 0.00 0.00 41.12 39.79 2ozx n ASP 115 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2ozx s TYR 116 N -3.21 0.96 0.68 -0.67 2.02 -1.01 -5.15 117.35 110.97 2ozx s TYR 116 Ca 0.03 -0.51 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 2ozx s TYR 116 Cb 0.07 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 2ozx s TYR 116 CO 0.23 -0.01 1.06 -2.00 -1.57 0.00 0.00 175.55 173.25 2ozx s GLU 117 N -1.83 3.01 -0.02 -0.62 2.12 -1.26 -4.85 118.70 115.25 2ozx s GLU 117 Ca -0.04 0.98 -0.01 0.00 0.36 0.00 0.00 54.97 56.25 2ozx s GLU 117 Cb -0.09 -2.00 0.02 0.00 0.26 0.00 0.00 34.13 32.32 2ozx s GLU 117 CO 0.01 -1.04 0.05 0.08 -0.54 0.00 0.00 175.26 173.82 2ozx s VAL 118 N -2.97 -0.02 0.23 3.70 1.01 -1.26 -2.41 120.40 118.68 2ozx s VAL 118 Ca 0.59 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2ozx s VAL 118 Cb -0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 2ozx s VAL 118 CO 0.53 0.04 0.16 0.42 0.00 0.00 0.00 175.10 176.25 2ozx s THR 119 N 0.49 0.02 0.11 3.92 -4.23 -1.20 -4.91 115.64 109.85 2ozx s THR 119 Ca -0.04 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2ozx s THR 119 Cb -0.06 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 2ozx s THR 119 CO -0.02 0.00 0.04 -1.66 -0.54 0.00 0.00 174.62 172.45 2ozx s TRP 120 N -3.97 0.73 0.24 3.99 1.48 -1.26 -1.24 118.94 118.91 2ozx s TRP 120 Ca 0.39 -1.16 -0.06 0.00 -1.06 0.00 0.00 56.10 54.21 2ozx s TRP 120 Cb 0.06 -0.43 -0.02 0.00 -1.16 0.00 0.00 33.47 31.92 2ozx s TRP 120 CO 0.16 -0.49 0.33 0.00 -4.06 0.00 0.00 176.95 172.89 2ozx s ALA 121 N -4.00 0.49 0.00 2.67 0.00 -0.74 -4.94 121.76 115.24 2ozx s ALA 121 Ca 0.19 -1.31 0.13 0.00 0.00 0.00 0.00 51.96 50.97 2ozx s ALA 121 Cb 0.07 1.22 0.22 0.00 0.00 0.00 0.00 23.12 24.63 2ozx s ALA 121 CO -0.02 -0.73 1.05 0.27 0.00 0.00 0.00 175.76 176.32 2ozx n ASN 122 N -0.46 0.26 0.31 0.00 6.94 -1.26 -4.07 115.26 116.97 2ozx n ASN 122 Ca 0.00 -1.92 0.18 0.00 -0.02 0.00 0.00 54.58 52.83 2ozx n ASN 122 Cb 0.64 -0.11 0.99 0.00 -2.36 0.00 0.00 39.78 38.94 2ozx n ASN 122 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 2ozx h ASP 123 N 0.51 0.00 -5.04 0.53 3.58 -1.99 -3.45 116.42 110.57 2ozx h ASP 123 Ca -0.26 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.21 2ozx h ASP 123 Cb 1.63 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 2ozx h ASP 123 CO -0.02 0.02 0.29 -0.83 -2.88 0.00 0.00 179.24 175.82 2ozx s GLY 124 N -4.15 0.24 0.00 -0.78 0.00 -1.26 -5.12 107.32 96.24 2ozx s GLY 124 Ca -0.04 -0.60 0.09 0.00 0.00 0.00 0.00 44.72 44.17 2ozx s GLY 124 CO 0.49 -0.07 1.01 1.58 0.00 0.00 0.00 173.10 176.12