#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n SER 2 N 0.00 -3.50 0.00 0.00 2.88 -1.26 -5.08 113.62 106.66 1ocz n SER 2 Ca 0.00 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1ocz n SER 2 Cb 0.00 -2.87 0.00 0.00 -0.75 0.00 0.00 64.21 60.59 1ocz n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ocz n GLY 3 N 1.89 3.77 0.00 0.46 0.00 -1.26 -5.12 105.19 104.92 1ocz n GLY 3 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1ocz n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocz n GLY 4 N 3.88 0.68 0.00 -0.02 0.00 -1.26 -5.10 105.19 103.38 1ocz n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ocz n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocz n GLY 5 N 0.00 1.67 3.81 -0.02 0.00 -1.26 -5.13 105.19 104.26 1ocz n GLY 5 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ocz n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ocz s VAL 6 N -2.00 5.19 0.59 1.61 -7.23 -1.26 -5.06 120.40 112.24 1ocz s VAL 6 Ca 0.00 0.67 -0.20 0.00 -1.81 0.00 0.00 61.98 60.64 1ocz s VAL 6 Cb 0.00 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1ocz s VAL 6 CO 0.00 0.52 1.32 -2.65 -0.31 0.00 0.00 175.10 173.98 1ocz n PRO 7 N 2.42 1.43 -3.98 4.82 -0.02 -1.26 -5.05 135.00 133.37 1ocz n PRO 7 Ca -0.14 0.54 -0.21 0.00 -2.02 0.00 0.00 63.50 61.67 1ocz n PRO 7 Cb 0.53 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1ocz n PRO 7 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ocz s THR 8 N -1.33 5.14 0.17 3.45 -4.23 -1.26 -4.95 115.64 112.62 1ocz s THR 8 Ca 0.76 -1.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.12 1ocz s THR 8 Cb -0.40 -3.80 0.05 0.00 1.34 0.00 0.00 72.50 69.69 1ocz s THR 8 CO 0.45 -0.33 1.64 0.44 -0.54 0.00 0.00 174.62 176.29 1ocz h ASP 9 N 1.20 0.93 0.00 3.99 3.32 -1.96 0.44 116.42 124.34 1ocz h ASP 9 Ca -0.51 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.25 1ocz h ASP 9 Cb 1.23 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1ocz h ASP 9 CO 0.61 0.98 0.11 1.21 -1.72 0.00 0.00 179.24 180.43 1ocz n GLU 10 N -4.30 0.03 0.00 3.56 0.00 -1.26 0.24 120.64 118.91 1ocz n GLU 10 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 57.16 57.64 1ocz n GLU 10 Cb 0.30 -1.73 0.00 0.00 0.00 0.00 0.00 31.44 30.01 1ocz n GLU 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1ocz n GLU 11 N -1.63 2.88 0.00 5.31 0.28 -0.64 -4.87 120.64 121.97 1ocz n GLU 11 Ca -0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1ocz n GLU 11 Cb 0.12 -0.37 0.00 0.00 1.43 0.00 0.00 31.44 32.62 1ocz n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ocz n GLN 12 N -0.43 2.68 -1.96 3.44 7.27 0.14 -4.89 117.38 123.63 1ocz n GLN 12 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 1ocz n GLN 12 Cb 0.02 -0.25 -0.01 0.00 2.41 0.00 0.00 30.24 32.41 1ocz n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ocz s ALA 13 N -0.41 3.56 0.00 1.69 0.00 0.14 -4.99 121.76 121.75 1ocz s ALA 13 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1ocz s ALA 13 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1ocz s ALA 13 CO 0.00 -0.83 0.00 -2.37 0.00 0.00 0.00 175.76 172.56 1ocz n THR 14 N 1.00 0.00 0.00 0.00 5.66 -1.26 -4.68 114.28 114.99 1ocz n THR 14 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1ocz n THR 14 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1ocz n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ocz n GLY 15 N 2.65 0.67 0.36 1.09 0.00 -1.26 -0.04 105.19 108.65 1ocz n GLY 15 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.62 1ocz n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ocz h LEU 16 N 0.00 0.50 -0.47 0.99 5.85 -1.99 -0.83 115.31 119.35 1ocz h LEU 16 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1ocz h LEU 16 Cb 0.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1ocz h LEU 16 CO 0.00 0.31 0.17 -0.08 -0.34 0.00 0.00 178.44 178.49 1ocz h GLU 17 N 0.56 0.33 -0.30 1.25 4.81 -1.94 0.40 114.58 119.70 1ocz h GLU 17 Ca 0.31 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1ocz h GLU 17 Cb 0.48 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1ocz h GLU 17 CO -0.10 0.22 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.21 1ocz h ARG 18 N 0.34 0.59 -0.44 1.92 2.43 0.94 -0.56 114.38 119.60 1ocz h ARG 18 Ca 0.22 -0.24 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1ocz h ARG 18 Cb 0.23 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 1ocz h ARG 18 CO -0.23 0.80 0.11 1.49 -1.51 0.00 0.00 179.97 180.63 1ocz h GLU 19 N 0.35 0.24 0.00 0.20 4.81 -0.46 0.23 114.58 119.95 1ocz h GLU 19 Ca 0.07 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1ocz h GLU 19 Cb 0.60 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ocz h GLU 19 CO 0.03 0.16 -0.41 -0.39 -0.73 0.00 0.00 179.01 177.68 1ocz h VAL 20 N 0.25 0.93 -0.06 0.32 -1.51 -0.14 -2.43 116.25 113.61 1ocz h VAL 20 Ca 0.21 -1.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.05 1ocz h VAL 20 Cb 0.25 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1ocz h VAL 20 CO -0.26 0.40 0.01 -0.03 -1.23 0.00 0.00 177.57 176.46 1ocz h MET 21 N 0.00 0.10 0.26 5.19 1.85 0.99 -1.95 114.93 121.38 1ocz h MET 21 Ca -0.00 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 1ocz h MET 21 Cb 0.95 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.97 1ocz h MET 21 CO 0.05 0.32 -0.13 -0.07 -0.40 0.00 0.00 176.91 176.69 1ocz h LEU 22 N -0.14 -0.30 -1.23 3.39 3.38 -0.79 -3.04 115.31 116.58 1ocz h LEU 22 Ca 0.02 -0.20 0.32 0.00 0.09 0.00 0.00 57.88 58.11 1ocz h LEU 22 Cb 0.27 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 1ocz h LEU 22 CO 0.00 0.06 0.68 0.00 0.09 0.00 0.00 178.44 179.28 1ocz h ALA 23 N -0.11 2.24 -0.24 1.53 0.00 -1.45 0.44 119.26 121.68 1ocz h ALA 23 Ca -0.04 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ocz h ALA 23 Cb 0.48 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ocz h ALA 23 CO 0.06 -0.77 0.02 0.00 0.00 0.00 0.00 179.25 178.56 1ocz h ALA 24 N 1.69 0.23 -0.06 0.00 0.00 -1.24 -1.82 119.26 118.05 1ocz h ALA 24 Ca 0.70 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.60 1ocz h ALA 24 Cb 1.81 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1ocz h ALA 24 CO -0.44 -0.40 -0.26 0.07 0.00 0.00 0.00 179.25 178.22 1ocz h ARG 25 N 0.10 0.11 0.00 0.00 0.11 -0.06 -0.94 114.38 113.70 1ocz h ARG 25 Ca 0.11 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1ocz h ARG 25 Cb 0.13 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.20 1ocz h ARG 25 CO -0.17 0.37 0.00 1.63 0.10 0.00 0.00 179.97 181.90 1ocz n LYS 26 N -4.19 0.98 -0.18 0.08 5.02 -0.81 -4.89 118.16 114.17 1ocz n LYS 26 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1ocz n LYS 26 Cb 0.34 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1ocz n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ocz n GLY 27 N 0.94 2.64 3.91 0.72 0.00 -0.36 -5.02 105.19 108.02 1ocz n GLY 27 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1ocz n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ocz s GLN 28 N -0.00 3.06 -0.46 1.61 1.11 -0.75 -4.96 119.66 119.26 1ocz s GLN 28 Ca 0.00 0.12 0.09 0.00 0.01 0.00 0.00 55.36 55.58 1ocz s GLN 28 Cb 0.00 -2.25 0.33 0.00 -1.01 0.00 0.00 33.01 30.08 1ocz s GLN 28 CO 0.00 -0.64 0.78 -3.47 0.01 0.00 0.00 175.29 171.97 1ocz n ASP 29 N -2.58 2.18 0.11 5.90 2.03 -1.26 -3.87 116.55 119.06 1ocz n ASP 29 Ca 0.04 -3.23 0.07 0.00 0.52 0.00 0.00 54.79 52.19 1ocz n ASP 29 Cb 0.57 -0.61 0.38 0.00 -0.72 0.00 0.00 41.12 40.74 1ocz n ASP 29 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ocz n PRO 30 N 0.25 0.09 -0.68 -0.67 -0.04 -1.26 -2.82 135.00 129.87 1ocz n PRO 30 Ca 0.27 0.58 0.01 0.00 -0.04 0.00 0.00 63.50 64.32 1ocz n PRO 30 Cb 0.54 -1.83 0.24 0.00 -0.04 0.00 0.00 33.50 32.41 1ocz n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ocz n TYR 31 N -1.99 1.28 -4.12 0.54 4.01 -1.26 -4.83 117.16 110.79 1ocz n TYR 31 Ca -0.01 -1.21 -0.30 0.00 -0.16 0.00 0.00 57.90 56.23 1ocz n TYR 31 Cb 0.05 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 38.59 1ocz n TYR 31 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ocz n ASN 32 N -0.70 -0.59 0.11 7.72 3.02 -1.13 -4.88 115.26 118.80 1ocz n ASN 32 Ca 0.30 -1.09 0.05 0.00 -0.03 0.00 0.00 54.58 53.81 1ocz n ASN 32 Cb 1.04 -2.56 0.00 0.00 -0.61 0.00 0.00 39.78 37.66 1ocz n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ocz h ILE 33 N -1.72 0.41 -2.24 2.41 2.04 -1.95 -3.47 117.51 112.99 1ocz h ILE 33 Ca -0.63 -1.67 -0.56 0.00 1.00 0.00 0.00 64.86 63.00 1ocz h ILE 33 Cb 1.38 2.01 -0.10 0.00 -0.74 0.00 0.00 36.82 39.37 1ocz h ILE 33 CO 0.69 0.23 -0.65 -0.76 0.00 0.00 0.00 178.15 177.66 1ocz s LEU 34 N -5.93 3.19 -0.23 1.44 1.02 -1.26 -5.10 118.68 111.80 1ocz s LEU 34 Ca 0.01 -0.64 -0.27 0.00 0.02 0.00 0.00 54.13 53.25 1ocz s LEU 34 Cb 0.08 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.58 1ocz s LEU 34 CO 0.77 0.01 0.93 0.00 0.02 0.00 0.00 176.35 178.08 1ocz s ALA 35 N -2.29 3.65 -0.01 4.21 0.00 -1.26 -4.98 121.76 121.08 1ocz s ALA 35 Ca 0.31 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1ocz s ALA 35 Cb -0.07 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1ocz s ALA 35 CO 0.20 -0.95 1.89 -2.14 0.00 0.00 0.00 175.76 174.76 1ocz s PRO 36 N 2.92 4.09 0.29 0.00 0.02 -1.26 -4.94 135.00 136.12 1ocz s PRO 36 Ca 0.40 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.57 1ocz s PRO 36 Cb -0.15 -4.12 -0.09 0.00 0.02 0.00 0.00 34.50 30.15 1ocz s PRO 36 CO 0.07 -1.00 1.08 -1.59 -0.33 0.00 0.00 177.00 175.23 1ocz s LYS 37 N 4.46 4.59 0.76 5.54 0.00 -1.26 -5.04 119.74 128.79 1ocz s LYS 37 Ca 0.85 1.73 -0.12 0.00 0.00 0.00 0.00 55.97 58.44 1ocz s LYS 37 Cb -0.39 -3.10 0.05 0.00 0.00 0.00 0.00 37.83 34.38 1ocz s LYS 37 CO 0.38 0.19 1.12 0.00 0.00 0.00 0.00 175.35 177.03 1ocz s ALA 38 N -1.24 2.65 0.53 0.59 0.00 -1.26 -5.04 121.76 117.99 1ocz s ALA 38 Ca 0.46 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1ocz s ALA 38 Cb -0.30 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1ocz s ALA 38 CO 0.38 -1.44 0.07 0.95 0.00 0.00 0.00 175.76 175.73 1ocz s THR 39 N -3.37 1.16 -0.85 0.00 -4.23 -1.26 -5.00 115.64 102.08 1ocz s THR 39 Ca 0.60 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 1ocz s THR 39 Cb -0.12 -2.06 0.07 0.00 1.34 0.00 0.00 72.50 71.73 1ocz s THR 39 CO 0.52 0.00 1.24 -1.54 -0.54 0.00 0.00 174.62 174.30 1ocz n SER 40 N -1.39 0.12 -1.06 3.99 3.41 -1.26 -4.83 113.62 112.61 1ocz n SER 40 Ca -0.18 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 58.86 1ocz n SER 40 Cb 0.67 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1ocz n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocz n GLY 41 N -1.06 1.20 3.64 5.00 0.00 0.24 -4.93 105.19 109.28 1ocz n GLY 41 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1ocz n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ocz s THR 42 N -2.03 1.93 0.46 2.61 -4.23 -0.87 -1.09 115.64 112.42 1ocz s THR 42 Ca 0.00 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 1ocz s THR 42 Cb 0.00 -2.45 0.22 0.00 1.34 0.00 0.00 72.50 71.61 1ocz s THR 42 CO 0.00 0.00 2.04 0.50 -0.54 0.00 0.00 174.62 176.62 1ocz h LYS 43 N -2.12 0.09 0.00 3.99 3.64 -1.98 -2.76 116.57 117.43 1ocz h LYS 43 Ca -0.54 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 58.63 1ocz h LYS 43 Cb 1.33 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1ocz h LYS 43 CO 0.53 0.16 -1.38 1.05 -2.27 0.00 0.00 179.45 177.55 1ocz h GLU 44 N 0.09 0.00 -2.22 1.90 9.09 -2.00 -3.40 114.58 118.04 1ocz h GLU 44 Ca 0.02 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.83 1ocz h GLU 44 Cb 0.18 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 26.86 1ocz h GLU 44 CO 0.01 0.41 -0.61 -3.47 0.05 0.00 0.00 179.01 175.39 1ocz n ASP 45 N -2.99 3.59 -4.89 3.06 2.03 -1.06 -5.10 116.55 111.19 1ocz n ASP 45 Ca -0.10 -3.41 -0.29 0.00 0.52 0.00 0.00 54.79 51.51 1ocz n ASP 45 Cb 0.89 -0.67 0.07 0.00 -0.72 0.00 0.00 41.12 40.69 1ocz n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ocz s PRO 46 N -2.39 2.43 0.00 -0.67 0.04 -1.12 -0.59 135.00 132.71 1ocz s PRO 46 Ca 0.39 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.43 1ocz s PRO 46 Cb 0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1ocz s PRO 46 CO -0.02 -1.29 0.81 -0.80 0.04 0.00 0.00 177.00 175.74 1ocz s ASN 47 N -4.46 7.20 -0.53 6.66 0.01 0.22 -4.74 114.94 119.30 1ocz s ASN 47 Ca 0.60 1.44 -0.16 0.00 -0.71 0.00 0.00 52.86 54.03 1ocz s ASN 47 Cb -0.11 -2.48 0.12 0.00 0.41 0.00 0.00 41.25 39.19 1ocz s ASN 47 CO 0.50 -0.10 0.48 -0.76 -1.51 0.00 0.00 177.10 175.71 1ocz s LEU 48 N 0.48 6.11 -0.61 0.60 1.43 -1.26 -0.53 118.68 124.90 1ocz s LEU 48 Ca 0.42 -1.74 -0.24 0.00 -1.03 0.00 0.00 54.13 51.53 1ocz s LEU 48 Cb -0.20 -2.20 0.05 0.00 0.03 0.00 0.00 46.19 43.87 1ocz s LEU 48 CO 0.23 -0.83 1.01 -0.69 0.23 0.00 0.00 176.35 176.30 1ocz s VAL 49 N 1.59 4.26 0.92 -1.59 1.01 -0.25 -4.85 120.40 121.50 1ocz s VAL 49 Ca 0.03 0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 1ocz s VAL 49 Cb -0.29 -4.64 0.15 0.00 0.00 0.00 0.00 36.38 31.60 1ocz s VAL 49 CO 0.03 -1.31 1.11 -2.84 0.00 0.00 0.00 175.10 172.09 1ocz s PRO 50 N 4.26 0.99 -0.29 2.72 0.02 -1.26 -0.64 135.00 140.82 1ocz s PRO 50 Ca 0.29 1.26 -0.24 0.00 0.02 0.00 0.00 61.00 62.34 1ocz s PRO 50 Cb -0.13 -1.75 0.14 0.00 0.02 0.00 0.00 34.50 32.79 1ocz s PRO 50 CO 0.17 -2.55 1.11 0.45 -0.33 0.00 0.00 177.00 175.85 1ocz s SER 51 N -2.90 -0.37 0.00 2.53 0.15 0.20 -4.72 113.70 108.60 1ocz s SER 51 Ca 0.65 0.69 0.07 0.00 0.70 0.00 0.00 55.95 58.07 1ocz s SER 51 Cb -0.21 0.77 0.33 0.00 -1.71 0.00 0.00 66.02 65.20 1ocz s SER 51 CO 0.58 -0.12 1.23 0.00 1.20 0.00 0.00 173.24 176.14 1ocz n ILE 52 N 2.29 0.12 -3.95 6.45 3.06 -1.26 -0.23 119.36 125.84 1ocz n ILE 52 Ca -0.13 -0.13 -0.11 0.00 -2.50 0.00 0.00 62.75 59.89 1ocz n ILE 52 Cb 0.56 0.03 -0.02 0.00 0.54 0.00 0.00 39.64 40.75 1ocz n ILE 52 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1ocz s THR 53 N -1.88 0.00 -1.85 9.51 2.01 -1.26 -4.94 115.64 117.23 1ocz s THR 53 Ca 0.13 -1.29 0.14 0.00 0.31 0.00 0.00 61.69 60.98 1ocz s THR 53 Cb 0.06 -2.53 0.37 0.00 0.01 0.00 0.00 72.50 70.41 1ocz s THR 53 CO 0.09 0.00 1.31 -0.46 -0.69 0.00 0.00 174.62 174.88 1ocz n ASN 54 N -1.04 0.00 -3.58 3.53 6.94 -1.26 -4.80 115.26 115.04 1ocz n ASN 54 Ca -0.03 -0.32 -0.15 0.00 -0.02 0.00 0.00 54.58 54.06 1ocz n ASN 54 Cb 0.61 -0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.89 1ocz n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1ocz s LYS 55 N -2.15 0.99 -0.20 -3.83 -2.85 -1.26 -0.73 119.74 109.70 1ocz s LYS 55 Ca 0.20 -0.06 -0.14 0.00 -1.00 0.00 0.00 55.97 54.96 1ocz s LYS 55 Cb 0.10 0.46 0.06 0.00 -2.06 0.00 0.00 37.83 36.38 1ocz s LYS 55 CO 0.18 -0.33 0.51 0.50 0.10 0.00 0.00 175.35 176.32 1ocz s ARG 56 N -1.85 0.55 0.09 1.78 3.52 0.54 -4.94 118.95 118.64 1ocz s ARG 56 Ca -0.09 0.86 -0.31 0.00 -0.13 0.00 0.00 55.73 56.06 1ocz s ARG 56 Cb -0.01 0.14 -0.08 0.00 -1.56 0.00 0.00 34.95 33.44 1ocz s ARG 56 CO 0.03 -0.12 1.41 0.42 -0.81 0.00 0.00 175.30 176.23 1ocz s ILE 57 N 0.99 3.35 -0.08 4.11 1.01 -1.26 -0.18 121.20 129.14 1ocz s ILE 57 Ca -0.06 0.93 0.03 0.00 0.00 0.00 0.00 60.65 61.55 1ocz s ILE 57 Cb -0.06 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1ocz s ILE 57 CO -0.09 0.05 -0.16 -0.69 0.00 0.00 0.00 174.94 174.05 1ocz s VAL 58 N 1.47 2.81 -0.14 2.92 1.01 0.14 -4.91 120.40 123.70 1ocz s VAL 58 Ca 0.65 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1ocz s VAL 58 Cb -0.36 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1ocz s VAL 58 CO 0.30 0.56 -0.03 -0.83 0.00 0.00 0.00 175.10 175.09 1ocz s GLY 59 N -0.17 1.73 -0.18 4.51 0.00 -1.26 -1.47 107.32 110.48 1ocz s GLY 59 Ca -0.01 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.89 1ocz s GLY 59 CO 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 173.10 172.78 1ocz n ILE 61 N 4.59 4.48 -0.35 0.00 5.41 -1.26 -0.31 119.36 131.93 1ocz n ILE 61 Ca -0.21 -5.17 0.04 0.00 1.00 0.00 0.00 62.75 58.41 1ocz n ILE 61 Cb 0.50 -2.54 0.10 0.00 -0.71 0.00 0.00 39.64 36.99 1ocz n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ocz s GLU 63 N -6.10 1.59 0.37 0.00 2.02 -1.26 -5.03 118.70 110.28 1ocz s GLU 63 Ca -0.14 -0.95 0.19 0.00 0.02 0.00 0.00 54.97 54.09 1ocz s GLU 63 Cb 0.24 -1.68 1.20 0.00 0.10 0.00 0.00 34.13 33.99 1ocz s GLU 63 CO 0.72 0.44 1.65 1.49 0.02 0.00 0.00 175.26 179.58 1ocz h GLU 64 N 5.01 0.23 0.51 1.61 4.81 -2.03 -1.47 114.58 123.25 1ocz h GLU 64 Ca -0.43 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1ocz h GLU 64 Cb 1.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ocz h GLU 64 CO 0.45 0.15 -0.24 -0.44 -0.73 0.00 0.00 179.01 178.20 1ocz h ASP 65 N 0.24 -0.58 0.00 1.04 5.19 -1.96 -3.47 116.42 116.88 1ocz h ASP 65 Ca 0.76 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 57.10 1ocz h ASP 65 Cb 1.93 0.15 0.00 0.00 0.18 0.00 0.00 39.33 41.59 1ocz h ASP 65 CO -0.55 -0.24 0.00 0.59 -3.12 0.00 0.00 179.24 175.92 1ocz n ASN 66 N -5.29 0.00 0.14 6.45 4.13 -0.56 -4.86 115.26 115.28 1ocz n ASN 66 Ca -0.11 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.24 1ocz n ASN 66 Cb 0.32 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.61 1ocz n ASN 66 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1ocz h SER 67 N 0.00 0.00 -3.47 6.41 4.64 -1.91 -3.45 113.55 115.77 1ocz h SER 67 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1ocz h SER 67 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1ocz h SER 67 CO 0.00 0.13 -0.41 -0.89 -0.87 0.00 0.00 176.83 174.80 1ocz s THR 68 N -3.20 5.32 -0.14 2.95 2.01 -1.26 -5.09 115.64 116.23 1ocz s THR 68 Ca 0.03 0.35 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 1ocz s THR 68 Cb 0.07 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1ocz s THR 68 CO 0.74 0.34 0.09 -0.69 -0.69 0.00 0.00 174.62 174.42 1ocz s VAL 69 N 0.94 5.10 -0.33 3.82 1.01 -1.26 -4.65 120.40 125.03 1ocz s VAL 69 Ca 0.11 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 1ocz s VAL 69 Cb -0.13 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1ocz s VAL 69 CO 0.04 0.55 0.44 -0.63 0.00 0.00 0.00 175.10 175.50 1ocz s ILE 70 N -0.42 5.10 0.04 2.22 -1.09 0.58 -4.82 121.20 122.82 1ocz s ILE 70 Ca 0.11 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 1ocz s ILE 70 Cb -0.12 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1ocz s ILE 70 CO 0.02 -0.10 0.16 0.26 -1.23 0.00 0.00 174.94 174.05 1ocz s TRP 71 N 2.21 3.43 -0.25 3.97 0.52 -1.26 0.50 118.94 128.07 1ocz s TRP 71 Ca 0.16 0.23 -0.28 0.00 0.02 0.00 0.00 56.10 56.23 1ocz s TRP 71 Cb -0.16 -1.74 0.17 0.00 -1.15 0.00 0.00 33.47 30.59 1ocz s TRP 71 CO 0.12 0.58 1.24 -0.59 0.02 0.00 0.00 176.95 178.33 1ocz s PHE 72 N -1.42 -0.17 0.20 -1.98 -0.12 -0.54 -4.98 117.98 108.97 1ocz s PHE 72 Ca 0.31 0.34 -0.30 0.00 -0.05 0.00 0.00 56.93 57.23 1ocz s PHE 72 Cb -0.13 0.47 -0.08 0.00 -0.63 0.00 0.00 43.02 42.65 1ocz s PHE 72 CO 0.24 -0.14 1.07 -1.58 -0.05 0.00 0.00 175.22 174.75 1ocz s TRP 73 N -0.74 3.66 -0.23 3.49 0.52 -1.26 0.29 118.94 124.66 1ocz s TRP 73 Ca 0.05 1.68 -0.06 0.00 0.02 0.00 0.00 56.10 57.80 1ocz s TRP 73 Cb -0.02 -3.22 -0.02 0.00 -1.15 0.00 0.00 33.47 29.06 1ocz s TRP 73 CO -0.06 -0.38 0.01 -1.17 0.02 0.00 0.00 176.95 175.37 1ocz s LEU 74 N -0.68 3.18 0.30 2.99 0.20 0.75 -4.89 118.68 120.54 1ocz s LEU 74 Ca 0.47 -0.29 0.07 0.00 0.69 0.00 0.00 54.13 55.07 1ocz s LEU 74 Cb -0.29 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1ocz s LEU 74 CO 0.35 -0.02 0.35 -1.00 -0.29 0.00 0.00 176.35 175.74 1ocz s HIS 75 N 1.52 3.12 0.12 5.38 3.76 -1.26 -0.34 115.29 127.58 1ocz s HIS 75 Ca 0.06 -0.19 -0.31 0.00 -0.15 0.00 0.00 55.06 54.47 1ocz s HIS 75 Cb -0.15 -1.75 -0.09 0.00 1.11 0.00 0.00 32.58 31.70 1ocz s HIS 75 CO 0.00 0.23 1.51 0.21 -0.85 0.00 0.00 174.74 175.84 1ocz s LYS 76 N -4.03 4.25 0.00 1.40 2.20 0.09 -4.49 119.74 119.16 1ocz s LYS 76 Ca 0.40 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1ocz s LYS 76 Cb -0.08 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1ocz s LYS 76 CO 0.28 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.12 1ocz n GLY 77 N 3.69 0.47 3.77 5.54 0.00 -1.26 -5.07 105.19 112.33 1ocz n GLY 77 Ca 0.13 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1ocz n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ocz s GLU 78 N -1.82 4.25 0.13 1.61 0.41 -1.26 -4.67 118.70 117.35 1ocz s GLU 78 Ca 0.00 2.36 -0.35 0.00 -0.41 0.00 0.00 54.97 56.57 1ocz s GLU 78 Cb 0.00 -3.05 -0.15 0.00 -1.78 0.00 0.00 34.13 29.15 1ocz s GLU 78 CO 0.00 -0.36 1.41 0.00 -0.49 0.00 0.00 175.26 175.82 1ocz n ALA 79 N 1.13 0.02 -2.08 5.21 0.00 -1.26 -4.92 120.51 118.60 1ocz n ALA 79 Ca 0.02 0.48 -0.19 0.00 0.00 0.00 0.00 53.44 53.75 1ocz n ALA 79 Cb 0.40 -2.18 0.02 0.00 0.00 0.00 0.00 19.45 17.69 1ocz n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ocz s GLN 80 N 0.49 2.56 -0.03 0.00 -0.21 0.13 -4.85 119.66 117.75 1ocz s GLN 80 Ca 0.80 -1.49 0.02 0.00 0.02 0.00 0.00 55.36 54.71 1ocz s GLN 80 Cb -0.83 -2.61 0.01 0.00 1.00 0.00 0.00 33.01 30.59 1ocz s GLN 80 CO 0.44 -0.49 -0.05 1.03 -2.12 0.00 0.00 175.29 174.10 1ocz s ARG 81 N -4.42 0.71 -0.12 2.91 0.52 -1.26 -0.69 118.95 116.61 1ocz s ARG 81 Ca 0.55 -0.16 -0.37 0.00 -0.52 0.00 0.00 55.73 55.22 1ocz s ARG 81 Cb -0.07 -0.70 -0.15 0.00 0.52 0.00 0.00 34.95 34.55 1ocz s ARG 81 CO 0.33 0.02 1.69 0.00 0.02 0.00 0.00 175.30 177.36 1ocz h PRO 83 N 7.11 0.00 0.00 0.00 0.11 -1.94 0.20 132.00 137.48 1ocz h PRO 83 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ocz h PRO 83 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ocz h PRO 83 CO 0.92 0.00 -1.37 -1.13 -0.21 0.00 0.00 178.00 176.21 1ocz n SER 84 N -3.83 0.50 -0.63 -2.05 3.41 -1.26 -4.68 113.62 105.08 1ocz n SER 84 Ca 0.09 -0.32 -0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1ocz n SER 84 Cb 0.69 1.27 -0.00 0.00 -0.26 0.00 0.00 64.21 65.90 1ocz n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ocz n GLY 86 N 0.05 1.50 1.88 0.00 0.00 0.57 -4.89 105.19 104.30 1ocz n GLY 86 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ocz n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ocz n THR 87 N 0.00 -6.44 -3.38 2.61 -1.04 -1.26 0.26 114.28 105.03 1ocz n THR 87 Ca 0.00 1.61 -0.38 0.00 -2.04 0.00 0.00 64.05 63.24 1ocz n THR 87 Cb 0.00 -3.08 -0.06 0.00 -1.82 0.00 0.00 70.33 65.37 1ocz n THR 87 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1ocz s HIS 88 N -0.25 3.76 -0.05 -1.42 0.09 -0.25 -2.16 115.29 115.01 1ocz s HIS 88 Ca 0.00 1.14 0.01 0.00 -0.00 0.00 0.00 55.06 56.21 1ocz s HIS 88 Cb 0.00 -2.40 0.02 0.00 -0.00 0.00 0.00 32.58 30.20 1ocz s HIS 88 CO 0.00 0.60 -0.05 0.71 -0.00 0.00 0.00 174.74 175.99 1ocz s TYR 89 N -1.13 0.84 -0.12 1.40 2.02 0.14 -0.61 117.35 119.88 1ocz s TYR 89 Ca 0.28 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1ocz s TYR 89 Cb -0.18 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1ocz s TYR 89 CO 0.17 -0.20 -0.11 0.21 -1.57 0.00 0.00 175.55 174.05 1ocz s LYS 90 N 0.89 1.90 0.71 -0.62 2.47 0.31 0.18 119.74 125.57 1ocz s LYS 90 Ca -0.12 -0.41 -0.15 0.00 -1.56 0.00 0.00 55.97 53.74 1ocz s LYS 90 Cb -0.15 -1.81 0.03 0.00 -1.46 0.00 0.00 37.83 34.44 1ocz s LYS 90 CO 0.01 -0.23 1.16 -1.17 0.16 0.00 0.00 175.35 175.28 1ocz s LEU 91 N 1.52 3.33 -0.01 5.43 2.96 -1.26 -1.09 118.68 129.56 1ocz s LEU 91 Ca 0.03 2.20 -0.12 0.00 -0.22 0.00 0.00 54.13 56.03 1ocz s LEU 91 Cb -0.13 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 42.00 1ocz s LEU 91 CO -0.08 -2.03 0.24 -0.69 -1.32 0.00 0.00 176.35 172.47 1ocz s VAL 92 N -2.15 0.07 0.31 1.68 1.01 0.19 -4.78 120.40 116.73 1ocz s VAL 92 Ca 0.71 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 1ocz s VAL 92 Cb -0.25 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 1ocz s VAL 92 CO 0.44 -0.31 1.14 -2.16 0.00 0.00 0.00 175.10 174.21 1ocz s PRO 93 N -1.39 4.51 0.95 2.72 0.04 -1.26 0.61 135.00 141.18 1ocz s PRO 93 Ca -0.14 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 1ocz s PRO 93 Cb -0.06 -3.09 0.16 0.00 0.04 0.00 0.00 34.50 31.55 1ocz s PRO 93 CO 0.03 0.07 1.09 -1.58 0.04 0.00 0.00 177.00 176.65 1ocz s HIS 94 N -1.20 2.05 0.00 0.56 2.46 0.68 -4.31 115.29 115.52 1ocz s HIS 94 Ca 0.47 1.32 0.00 0.00 0.47 0.00 0.00 55.06 57.32 1ocz s HIS 94 Cb -0.33 -3.18 0.00 0.00 -0.13 0.00 0.00 32.58 28.94 1ocz s HIS 94 CO 0.43 -2.72 0.00 0.00 -2.47 0.00 0.00 174.74 169.98 1ocz n GLN 95 N -4.12 0.00 0.00 2.88 -0.00 -1.26 -4.88 117.38 110.01 1ocz n GLN 95 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 1ocz n GLN 95 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.79 1ocz n GLN 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ocz n LEU 96 N 0.00 0.00 0.00 2.61 4.32 -1.26 -4.71 117.00 117.96 1ocz n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ocz n LEU 96 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ocz n LEU 96 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 1ocz n ALA 97 N 1.22 0.00 0.00 -1.18 0.00 -1.26 -4.85 120.51 114.44 1ocz n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ocz n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ocz n ALA 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11