#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ocs n PRO 8 N 0.00 0.97 -3.87 3.17 -0.02 -1.26 -4.68 135.00 129.31 2ocs n PRO 8 Ca 0.00 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 2ocs n PRO 8 Cb 0.00 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 30.99 2ocs n PRO 8 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2ocs s ARG 9 N -3.24 0.71 -0.10 -0.52 1.70 0.50 -4.93 118.95 113.06 2ocs s ARG 9 Ca 0.80 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 55.19 2ocs s ARG 9 Cb -0.38 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.24 2ocs s ARG 9 CO 0.43 -0.20 0.27 -1.17 -1.08 0.00 0.00 175.30 173.55 2ocs s LEU 10 N -2.31 4.35 -0.11 -1.89 2.96 -1.26 -0.80 118.68 119.61 2ocs s LEU 10 Ca -0.02 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.54 2ocs s LEU 10 Cb 0.01 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.37 2ocs s LEU 10 CO -0.06 0.26 -0.23 0.00 -1.32 0.00 0.00 176.35 175.00 2ocs s ARG 12 N 0.51 2.75 -0.01 0.00 0.52 -1.26 -0.40 118.95 121.07 2ocs s ARG 12 Ca -0.15 -1.07 0.03 0.00 -0.52 0.00 0.00 55.73 54.02 2ocs s ARG 12 Cb -0.17 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2ocs s ARG 12 CO 0.05 -0.55 -0.08 -0.51 0.02 0.00 0.00 175.30 174.23 2ocs s LEU 13 N 1.39 3.10 -0.17 2.53 1.02 -0.14 -4.68 118.68 121.73 2ocs s LEU 13 Ca -0.01 -0.15 -0.00 0.00 0.02 0.00 0.00 54.13 53.99 2ocs s LEU 13 Cb -0.18 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.27 2ocs s LEU 13 CO 0.01 0.30 -0.15 -0.69 0.02 0.00 0.00 176.35 175.83 2ocs s VAL 14 N -0.95 2.58 0.42 -1.59 1.01 -1.26 -1.98 120.40 118.63 2ocs s VAL 14 Ca 0.16 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2ocs s VAL 14 Cb -0.11 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 2ocs s VAL 14 CO 0.06 0.51 1.31 -0.60 0.00 0.00 0.00 175.10 176.38 2ocs s ARG 15 N 1.07 3.88 0.00 2.72 3.52 0.43 -4.75 118.95 125.82 2ocs s ARG 15 Ca -0.01 2.17 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 2ocs s ARG 15 Cb -0.14 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 2ocs s ARG 15 CO -0.04 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.28 2ocs n GLY 16 N 0.65 0.59 0.21 8.12 0.00 0.21 -4.96 105.19 110.00 2ocs n GLY 16 Ca 0.04 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2ocs n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ocs h GLU 17 N 0.00 0.69 0.00 1.61 4.39 -2.01 -2.60 114.58 116.66 2ocs h GLU 17 Ca 0.00 -0.61 -0.13 0.00 0.34 0.00 0.00 59.36 58.96 2ocs h GLU 17 Cb 0.00 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2ocs h GLU 17 CO 0.00 1.22 -0.60 1.96 -1.16 0.00 0.00 179.01 180.43 2ocs h GLN 18 N 0.44 0.00 0.00 2.33 1.08 -2.03 -3.50 115.11 113.43 2ocs h GLN 18 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2ocs h GLN 18 Cb 1.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 2ocs h GLN 18 CO 0.17 0.59 0.00 0.41 -0.95 0.00 0.00 178.83 179.05 2ocs n GLY 19 N 1.25 -0.47 0.09 3.46 0.00 -0.98 -4.96 105.19 103.57 2ocs n GLY 19 Ca 0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 2ocs n GLY 19 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2ocs h TYR 20 N 0.00 0.29 -0.58 1.61 0.05 -1.92 0.63 116.97 117.05 2ocs h TYR 20 Ca 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2ocs h TYR 20 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2ocs h TYR 20 CO 0.00 1.19 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 2ocs n GLY 21 N 1.50 0.98 3.10 3.88 0.00 -1.26 -1.20 105.19 112.18 2ocs n GLY 21 Ca -0.08 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 2ocs n GLY 21 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ocs s PHE 22 N -2.58 0.57 -0.17 1.61 -0.12 -1.26 -0.64 117.98 115.39 2ocs s PHE 22 Ca 0.00 -1.04 -0.02 0.00 -0.05 0.00 0.00 56.93 55.82 2ocs s PHE 22 Cb 0.00 -0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 41.97 2ocs s PHE 22 CO 0.00 -0.34 -0.08 -1.58 -0.05 0.00 0.00 175.22 173.17 2ocs s HIS 23 N -3.84 2.92 -0.18 3.49 5.65 -0.06 -5.00 115.29 118.27 2ocs s HIS 23 Ca 0.07 -0.69 -0.10 0.00 0.25 0.00 0.00 55.06 54.59 2ocs s HIS 23 Cb 0.07 -1.97 -0.05 0.00 -1.18 0.00 0.00 32.58 29.45 2ocs s HIS 23 CO -0.09 -0.31 0.15 -1.17 -0.65 0.00 0.00 174.74 172.67 2ocs s LEU 24 N 0.81 4.24 -0.07 8.88 2.96 -1.26 -0.01 118.68 134.23 2ocs s LEU 24 Ca -0.03 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2ocs s LEU 24 Cb -0.15 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.44 2ocs s LEU 24 CO 0.01 0.21 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.87 2ocs s HIS 25 N 0.16 1.34 -0.01 5.38 5.65 -0.20 -4.91 115.29 122.71 2ocs s HIS 25 Ca 0.10 -0.52 -0.01 0.00 0.25 0.00 0.00 55.06 54.88 2ocs s HIS 25 Cb -0.11 -1.03 -0.04 0.00 -1.18 0.00 0.00 32.58 30.21 2ocs s HIS 25 CO -0.00 -0.31 0.11 0.20 -0.65 0.00 0.00 174.74 174.09 2ocs s GLY 26 N 0.91 2.07 0.00 1.59 0.00 -1.26 -1.14 107.32 109.49 2ocs s GLY 26 Ca -0.10 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2ocs s GLY 26 CO 0.01 -0.71 0.00 1.18 0.00 0.00 0.00 173.10 173.58 2ocs n GLU 27 N 1.13 0.00 0.00 2.90 -0.58 -1.26 -5.02 120.64 117.82 2ocs n GLU 27 Ca -0.13 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2ocs n GLU 27 Cb 0.53 -0.22 0.00 0.00 -0.57 0.00 0.00 31.44 31.18 2ocs n GLU 27 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2ocs n ARG 31 N -1.14 0.00 0.00 3.49 0.63 -1.26 -4.96 116.66 113.42 2ocs n ARG 31 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2ocs n ARG 31 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2ocs n ARG 31 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ocs n GLY 32 N 0.00 3.02 3.25 5.14 0.00 -1.26 -5.05 105.19 110.29 2ocs n GLY 32 Ca 0.00 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 2ocs n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ocs s GLN 33 N -4.24 2.44 0.11 1.61 -1.52 -1.26 -4.57 119.66 112.24 2ocs s GLN 33 Ca 0.00 -0.87 0.08 0.00 -1.95 0.00 0.00 55.36 52.62 2ocs s GLN 33 Cb 0.00 -2.09 -0.04 0.00 -0.22 0.00 0.00 33.01 30.67 2ocs s GLN 33 CO 0.00 0.37 -0.20 -0.06 -0.25 0.00 0.00 175.29 175.16 2ocs s PHE 34 N -0.16 1.74 -0.47 0.91 0.08 -0.29 -1.04 117.98 118.75 2ocs s PHE 34 Ca -0.03 -0.44 -0.22 0.00 0.12 0.00 0.00 56.93 56.36 2ocs s PHE 34 Cb -0.13 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2ocs s PHE 34 CO 0.03 0.22 0.75 0.42 -0.10 0.00 0.00 175.22 176.54 2ocs s ILE 35 N -1.37 4.68 0.00 0.64 -1.09 0.78 -1.03 121.20 123.82 2ocs s ILE 35 Ca 0.08 0.17 0.11 0.00 -2.23 0.00 0.00 60.65 58.78 2ocs s ILE 35 Cb -0.09 -4.33 -0.16 0.00 -1.58 0.00 0.00 42.46 36.31 2ocs s ILE 35 CO 0.05 -0.77 1.11 -0.09 -1.23 0.00 0.00 174.94 174.00 2ocs h ARG 36 N 9.02 0.00 -2.64 2.79 2.43 -0.76 0.33 114.38 125.54 2ocs h ARG 36 Ca -0.26 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.81 2ocs h ARG 36 Cb 1.09 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.41 2ocs h ARG 36 CO 0.97 0.70 -0.18 0.50 -1.51 0.00 0.00 179.97 180.45 2ocs s ARG 37 N -2.75 0.55 -0.13 0.20 3.52 -1.24 -4.68 118.95 114.43 2ocs s ARG 37 Ca -0.00 0.57 0.03 0.00 -0.13 0.00 0.00 55.73 56.20 2ocs s ARG 37 Cb 0.09 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.75 2ocs s ARG 37 CO 0.81 -0.08 -0.23 0.08 -0.81 0.00 0.00 175.30 175.07 2ocs s VAL 38 N 0.11 2.06 0.06 7.11 1.01 -1.26 -0.88 120.40 128.61 2ocs s VAL 38 Ca -0.01 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.67 2ocs s VAL 38 Cb -0.03 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2ocs s VAL 38 CO 0.01 0.55 1.20 -0.70 0.00 0.00 0.00 175.10 176.16 2ocs s GLU 39 N 0.65 4.43 0.28 2.72 2.12 0.19 -4.97 118.70 124.12 2ocs s GLU 39 Ca -0.11 1.77 -0.30 0.00 0.36 0.00 0.00 54.97 56.69 2ocs s GLU 39 Cb -0.16 -3.34 -0.13 0.00 0.26 0.00 0.00 34.13 30.75 2ocs s GLU 39 CO 0.02 -0.25 1.26 -2.30 -0.54 0.00 0.00 175.26 173.45 2ocs n PRO 40 N 3.89 1.85 -0.94 4.30 -0.02 -1.26 -2.12 135.00 140.70 2ocs n PRO 40 Ca 0.09 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2ocs n PRO 40 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 2ocs n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ocs n GLY 41 N 1.47 0.39 3.93 -1.23 0.00 -1.26 -5.02 105.19 103.46 2ocs n GLY 41 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2ocs n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ocs s SER 42 N -2.18 5.41 0.31 1.61 1.04 -0.90 -4.92 113.70 114.06 2ocs s SER 42 Ca 0.00 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.08 2ocs s SER 42 Cb 0.00 -1.51 0.78 0.00 0.10 0.00 0.00 66.02 65.39 2ocs s SER 42 CO 0.00 -1.17 1.76 -0.65 0.98 0.00 0.00 173.24 174.15 2ocs h PRO 43 N -0.23 0.66 -0.69 4.02 0.11 -1.85 -0.82 132.00 133.21 2ocs h PRO 43 Ca -0.45 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2ocs h PRO 43 Cb 1.27 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2ocs h PRO 43 CO 0.60 0.44 0.44 0.00 -0.21 0.00 0.00 178.00 179.27 2ocs h ALA 44 N 1.67 0.89 -0.57 -0.75 0.00 -1.43 -1.15 119.26 117.93 2ocs h ALA 44 Ca 0.60 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.36 2ocs h ALA 44 Cb 1.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ocs h ALA 44 CO -0.42 0.24 -0.07 1.49 0.00 0.00 0.00 179.25 180.49 2ocs h GLU 45 N 0.88 1.06 -0.33 0.00 4.81 -1.50 -1.93 114.58 117.57 2ocs h GLU 45 Ca 0.27 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2ocs h GLU 45 Cb -0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2ocs h GLU 45 CO -0.08 1.07 0.06 0.00 -0.73 0.00 0.00 179.01 179.32 2ocs h ALA 46 N 0.95 1.50 0.00 2.92 0.00 -0.88 -1.01 119.26 122.74 2ocs h ALA 46 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ocs h ALA 46 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ocs h ALA 46 CO 0.04 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2ocs n ALA 47 N -2.48 2.30 -2.33 0.00 0.00 -0.46 -4.93 120.51 112.61 2ocs n ALA 47 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 2ocs n ALA 47 Cb 0.19 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2ocs n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ocs n ALA 48 N -1.31 -0.36 -1.77 0.00 0.00 -0.38 -4.51 120.51 112.18 2ocs n ALA 48 Ca 0.12 0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 2ocs n ALA 48 Cb 0.22 -1.59 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 2ocs n ALA 48 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ocs s LEU 49 N -3.13 4.23 0.01 0.00 2.96 -0.75 -5.03 118.68 116.97 2ocs s LEU 49 Ca 0.05 2.40 0.05 0.00 -0.22 0.00 0.00 54.13 56.41 2ocs s LEU 49 Cb -0.02 -3.96 -0.02 0.00 0.50 0.00 0.00 46.19 42.69 2ocs s LEU 49 CO 0.06 -0.66 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.14 2ocs s ARG 50 N -2.21 1.22 0.32 1.98 0.52 -1.26 -4.64 118.95 114.87 2ocs s ARG 50 Ca 0.56 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.78 2ocs s ARG 50 Cb -0.32 -1.22 -0.12 0.00 0.52 0.00 0.00 34.95 33.81 2ocs s ARG 50 CO 0.41 0.32 1.51 0.00 0.02 0.00 0.00 175.30 177.56 2ocs n ALA 51 N 2.30 2.24 0.00 2.13 0.00 -1.26 -2.03 120.51 123.89 2ocs n ALA 51 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2ocs n ALA 51 Cb 0.54 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2ocs n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ocs n GLY 52 N 1.44 1.50 3.77 0.00 0.00 0.12 -5.01 105.19 107.00 2ocs n GLY 52 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2ocs n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ocs s ASP 53 N -1.84 6.59 -0.13 1.61 1.01 -0.86 -4.42 116.67 118.62 2ocs s ASP 53 Ca 0.00 2.82 -0.11 0.00 0.71 0.00 0.00 52.55 55.97 2ocs s ASP 53 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 2ocs s ASP 53 CO 0.00 -0.70 0.22 -0.60 0.21 0.00 0.00 175.17 174.30 2ocs s ARG 54 N -1.50 3.92 -0.23 8.23 3.52 0.68 -0.15 118.95 133.41 2ocs s ARG 54 Ca 0.53 -0.01 -0.24 0.00 -0.13 0.00 0.00 55.73 55.89 2ocs s ARG 54 Cb -0.43 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2ocs s ARG 54 CO 0.54 0.50 0.79 -1.17 -0.81 0.00 0.00 175.30 175.14 2ocs s LEU 55 N -0.28 4.10 -0.21 -0.88 2.96 -0.21 -0.98 118.68 123.18 2ocs s LEU 55 Ca 0.15 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 55.06 2ocs s LEU 55 Cb -0.13 -3.12 -0.13 0.00 0.50 0.00 0.00 46.19 43.31 2ocs s LEU 55 CO 0.04 -0.46 -0.19 0.52 -1.32 0.00 0.00 176.35 174.94 2ocs n VAL 56 N 5.11 1.20 -4.06 1.68 0.31 0.77 -4.60 118.33 118.75 2ocs n VAL 56 Ca 0.04 -0.44 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 2ocs n VAL 56 Cb 0.48 -1.29 -0.11 0.00 -0.91 0.00 0.00 33.84 32.01 2ocs n VAL 56 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2ocs s GLU 57 N -2.42 0.53 -0.13 5.55 2.02 -0.93 -1.11 118.70 122.22 2ocs s GLU 57 Ca -0.28 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 53.90 2ocs s GLU 57 Cb 0.08 -0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.10 2ocs s GLU 57 CO 0.47 0.03 -0.13 0.08 0.02 0.00 0.00 175.26 175.73 2ocs s VAL 58 N -1.66 1.40 -1.53 2.63 1.01 -0.40 -1.01 120.40 120.85 2ocs s VAL 58 Ca -0.08 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2ocs s VAL 58 Cb -0.08 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 35.05 2ocs s VAL 58 CO -0.00 0.43 0.86 0.59 0.00 0.00 0.00 175.10 176.97 2ocs n ASN 59 N 4.68 -3.59 0.00 3.32 3.02 0.05 -1.63 115.26 121.10 2ocs n ASN 59 Ca -0.16 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 2ocs n ASN 59 Cb 0.50 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 2ocs n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ocs n GLY 60 N -1.65 0.63 3.26 7.41 0.00 -1.26 -5.03 105.19 108.56 2ocs n GLY 60 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2ocs n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ocs s VAL 61 N -2.47 2.62 0.20 1.61 1.01 -0.65 -5.07 120.40 117.65 2ocs s VAL 61 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 2ocs s VAL 61 Cb 0.00 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.17 2ocs s VAL 61 CO 0.00 0.52 1.61 0.21 0.00 0.00 0.00 175.10 177.44 2ocs s ASN 62 N 0.75 6.49 0.00 3.32 3.84 -1.26 -1.27 114.94 126.81 2ocs s ASN 62 Ca -0.07 2.75 0.04 0.00 0.21 0.00 0.00 52.86 55.79 2ocs s ASN 62 Cb -0.16 -2.60 0.07 0.00 -0.55 0.00 0.00 41.25 38.01 2ocs s ASN 62 CO 0.01 -0.88 0.87 1.33 -2.79 0.00 0.00 177.10 175.65 2ocs n VAL 63 N 3.60 0.54 -2.01 -5.21 0.24 -0.26 -4.93 118.33 110.30 2ocs n VAL 63 Ca 0.13 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.24 2ocs n VAL 63 Cb 0.37 0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 2ocs n VAL 63 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ocs s GLU 64 N -0.69 4.24 0.00 7.34 2.02 -1.25 -1.61 118.70 128.75 2ocs s GLU 64 Ca 0.06 2.26 0.00 0.00 0.02 0.00 0.00 54.97 57.32 2ocs s GLU 64 Cb 0.04 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 31.02 2ocs s GLU 64 CO 0.05 -0.57 0.00 0.41 0.02 0.00 0.00 175.26 175.17 2ocs n GLY 65 N 3.71 3.29 3.83 -1.39 0.00 -1.26 -5.04 105.19 108.33 2ocs n GLY 65 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2ocs n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ocs s GLU 66 N -0.61 2.69 0.84 1.61 2.02 -0.63 -4.69 118.70 119.92 2ocs s GLU 66 Ca 0.00 0.71 -0.12 0.00 0.02 0.00 0.00 54.97 55.58 2ocs s GLU 66 Cb 0.00 -1.98 0.09 0.00 0.10 0.00 0.00 34.13 32.34 2ocs s GLU 66 CO 0.00 -1.21 1.13 0.95 0.02 0.00 0.00 175.26 176.15 2ocs s THR 67 N -3.17 2.45 0.17 3.63 -4.23 -1.26 -4.78 115.64 108.45 2ocs s THR 67 Ca 0.59 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 61.10 2ocs s THR 67 Cb -0.13 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.80 2ocs s THR 67 CO 0.54 -0.19 1.83 -0.74 -0.54 0.00 0.00 174.62 175.52 2ocs h HIS 68 N -1.21 0.64 -0.55 3.99 2.76 -1.95 -1.88 115.15 116.94 2ocs h HIS 68 Ca -0.48 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.69 2ocs h HIS 68 Cb 1.31 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 30.03 2ocs h HIS 68 CO 0.36 0.39 0.30 1.25 -1.30 0.00 0.00 177.93 178.94 2ocs h HIS 69 N 0.68 0.76 -0.45 5.26 -0.00 -1.99 -0.46 115.15 118.95 2ocs h HIS 69 Ca 0.20 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.60 2ocs h HIS 69 Cb -0.05 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.07 2ocs h HIS 69 CO -0.05 0.55 0.20 1.96 -0.00 0.00 0.00 177.93 180.60 2ocs h GLN 70 N 0.74 0.39 -0.38 5.26 4.20 -1.77 -0.61 115.11 122.94 2ocs h GLN 70 Ca 0.19 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 2ocs h GLN 70 Cb 0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2ocs h GLN 70 CO -0.03 0.26 -0.05 0.28 -0.67 0.00 0.00 178.83 178.62 2ocs h VAL 71 N 0.40 1.27 -0.73 -0.54 2.07 -0.90 -1.48 116.25 116.33 2ocs h VAL 71 Ca 0.20 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.66 2ocs h VAL 71 Cb 0.15 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2ocs h VAL 71 CO -0.17 0.36 0.47 0.58 0.02 0.00 0.00 177.57 178.83 2ocs h VAL 72 N 0.50 1.12 -0.81 2.57 2.07 -0.87 -0.94 116.25 119.90 2ocs h VAL 72 Ca 0.10 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2ocs h VAL 72 Cb 0.54 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2ocs h VAL 72 CO 0.03 0.17 0.50 1.56 0.02 0.00 0.00 177.57 179.85 2ocs h GLN 73 N 0.92 1.08 -0.65 1.57 1.08 -0.85 -1.44 115.11 116.82 2ocs h GLN 73 Ca 0.29 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 2ocs h GLN 73 Cb -0.01 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.16 2ocs h GLN 73 CO -0.10 0.74 0.21 0.00 -0.95 0.00 0.00 178.83 178.73 2ocs h ARG 74 N 1.11 1.00 -0.74 1.46 3.08 -0.52 -2.40 114.38 117.36 2ocs h ARG 74 Ca 0.29 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2ocs h ARG 74 Cb -0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 2ocs h ARG 74 CO -0.06 0.88 0.31 0.82 -1.07 0.00 0.00 179.97 180.85 2ocs h ILE 75 N 0.93 1.25 0.00 2.04 2.04 -0.69 -2.42 117.51 120.66 2ocs h ILE 75 Ca 0.21 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2ocs h ILE 75 Cb 0.29 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2ocs h ILE 75 CO -0.01 0.31 0.00 0.29 0.00 0.00 0.00 178.15 178.74 2ocs n LYS 76 N -4.30 0.13 0.04 2.37 5.02 -0.59 -4.36 118.16 116.47 2ocs n LYS 76 Ca 0.07 0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.38 2ocs n LYS 76 Cb 0.17 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.82 2ocs n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ocs h ALA 77 N 2.93 0.91 -3.03 7.82 0.00 -0.94 -3.37 119.26 123.59 2ocs h ALA 77 Ca 0.00 -0.45 -0.69 0.00 0.00 0.00 0.00 54.91 53.77 2ocs h ALA 77 Cb 0.34 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 17.77 2ocs h ALA 77 CO 0.00 0.64 -0.60 0.08 0.00 0.00 0.00 179.25 179.37 2ocs s VAL 78 N -4.12 4.01 0.18 0.00 1.01 -1.26 -5.05 120.40 115.17 2ocs s VAL 78 Ca -0.06 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 60.73 2ocs s VAL 78 Cb 0.12 -3.16 -0.12 0.00 0.00 0.00 0.00 36.38 33.22 2ocs s VAL 78 CO 0.81 -0.06 1.73 1.21 0.00 0.00 0.00 175.10 178.78 2ocs n GLU 79 N 4.87 2.69 0.00 2.72 2.13 -1.26 -3.24 120.64 128.55 2ocs n GLU 79 Ca -0.13 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.66 2ocs n GLU 79 Cb 0.46 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.36 2ocs n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ocs n GLY 80 N 3.94 2.79 3.20 8.31 0.00 -1.26 -4.98 105.19 117.19 2ocs n GLY 80 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2ocs n GLY 80 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ocs s GLN 81 N -0.42 0.69 -0.02 1.61 -2.07 -1.20 -0.43 119.66 117.82 2ocs s GLN 81 Ca 0.00 -0.47 -0.18 0.00 -1.82 0.00 0.00 55.36 52.89 2ocs s GLN 81 Cb 0.00 0.29 0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2ocs s GLN 81 CO 0.00 -0.20 0.39 -0.08 -1.32 0.00 0.00 175.29 174.08 2ocs s THR 82 N -2.13 0.05 -0.10 3.63 -1.32 -0.84 -4.56 115.64 110.37 2ocs s THR 82 Ca -0.08 -0.37 0.02 0.00 -1.21 0.00 0.00 61.69 60.05 2ocs s THR 82 Cb -0.03 -0.69 0.01 0.00 -1.51 0.00 0.00 72.50 70.28 2ocs s THR 82 CO -0.01 -0.21 -0.17 0.00 -2.21 0.00 0.00 174.62 172.02 2ocs s ARG 83 N -1.29 2.40 -0.18 7.08 1.70 -1.26 -0.96 118.95 126.44 2ocs s ARG 83 Ca -0.13 -0.64 0.01 0.00 -0.47 0.00 0.00 55.73 54.50 2ocs s ARG 83 Cb -0.04 -1.96 0.02 0.00 -0.57 0.00 0.00 34.95 32.39 2ocs s ARG 83 CO 0.05 0.01 -0.19 -0.51 -1.08 0.00 0.00 175.30 173.58 2ocs s LEU 84 N 0.78 2.21 -0.32 -1.89 1.43 0.47 -0.77 118.68 120.59 2ocs s LEU 84 Ca -0.10 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.19 2ocs s LEU 84 Cb -0.16 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2ocs s LEU 84 CO 0.01 0.01 0.58 -0.22 0.23 0.00 0.00 176.35 176.97 2ocs s LEU 85 N 1.22 4.20 0.16 1.79 2.96 -0.18 -0.56 118.68 128.27 2ocs s LEU 85 Ca 0.03 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.28 2ocs s LEU 85 Cb -0.14 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2ocs s LEU 85 CO -0.10 -0.47 -0.14 0.68 -1.32 0.00 0.00 176.35 174.99 2ocs s VAL 86 N 2.53 1.51 -0.06 1.68 -7.23 0.02 -0.16 120.40 118.68 2ocs s VAL 86 Ca 0.23 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2ocs s VAL 86 Cb -0.15 -1.78 0.02 0.00 0.56 0.00 0.00 36.38 35.03 2ocs s VAL 86 CO 0.12 -0.49 -0.07 0.54 -0.31 0.00 0.00 175.10 174.90 2ocs s VAL 87 N -2.52 0.76 -0.41 1.32 0.11 -0.15 -0.37 120.40 119.14 2ocs s VAL 87 Ca 0.15 -0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 58.82 2ocs s VAL 87 Cb -0.03 -0.77 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 2ocs s VAL 87 CO 0.04 0.29 0.39 -0.62 -3.33 0.00 0.00 175.10 171.88 2ocs s ASP 88 N 1.11 6.17 -0.23 3.54 2.15 -1.26 -0.23 116.67 127.91 2ocs s ASP 88 Ca -0.07 -0.70 -0.22 0.00 0.43 0.00 0.00 52.55 51.98 2ocs s ASP 88 Cb -0.14 -2.20 -0.01 0.00 -0.30 0.00 0.00 42.92 40.26 2ocs s ASP 88 CO -0.01 -0.52 0.72 -1.58 -0.17 0.00 0.00 175.17 173.61 2ocs s GLN 89 N 2.00 4.17 -0.02 4.34 2.00 -1.26 -4.80 119.66 126.08 2ocs s GLN 89 Ca 0.10 0.74 0.04 0.00 -2.00 0.00 0.00 55.36 54.24 2ocs s GLN 89 Cb -0.18 -3.63 0.05 0.00 0.80 0.00 0.00 33.01 30.06 2ocs s GLN 89 CO 0.12 -0.42 0.90 0.39 -0.50 0.00 0.00 175.29 175.78 2ocs n GLU 90 N 5.69 1.57 -4.20 1.67 -0.58 -1.26 -5.00 120.64 118.53 2ocs n GLU 90 Ca 0.02 -1.38 -0.21 0.00 -0.42 0.00 0.00 57.16 55.17 2ocs n GLU 90 Cb 0.48 -0.91 -0.16 0.00 -0.57 0.00 0.00 31.44 30.28 2ocs n GLU 90 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ocs s ASP 91 N -1.08 1.13 -0.12 1.62 1.01 -1.26 -5.12 116.67 112.85 2ocs s ASP 91 Ca 0.06 -0.16 -0.06 0.00 0.71 0.00 0.00 52.55 53.10 2ocs s ASP 91 Cb 0.05 -0.51 0.05 0.00 1.01 0.00 0.00 42.92 43.52 2ocs s ASP 91 CO 0.01 -0.05 0.28 -0.89 0.21 0.00 0.00 175.17 174.72 2ocs s THR 92 N 0.95 -0.04 -0.17 -1.27 2.01 -1.26 -5.12 115.64 110.74 2ocs s THR 92 Ca -0.10 0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 2ocs s THR 92 Cb -0.14 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 2ocs s THR 92 CO 0.00 0.05 0.28 -0.44 -0.69 0.00 0.00 174.62 173.83 2ocs s SER 93 N 1.23 6.41 0.00 3.53 0.01 -1.26 -5.32 113.70 118.31 2ocs s SER 93 Ca -0.09 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2ocs s SER 93 Cb -0.10 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2ocs s SER 93 CO -0.09 0.09 0.39 1.33 0.41 0.00 0.00 173.24 175.37