#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqe s THR 2 N 0.00 0.59 -0.42 2.52 -4.23 -1.26 -5.13 115.64 107.71 1oqe s THR 2 Ca 0.00 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 1oqe s THR 2 Cb 0.00 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.78 1oqe s THR 2 CO 0.00 -0.47 0.29 -1.10 -0.54 0.00 0.00 174.62 172.81 1oqe s GLN 3 N -3.94 2.80 0.67 3.99 -0.21 -1.26 -4.96 119.66 116.76 1oqe s GLN 3 Ca 0.24 -1.30 -0.16 0.00 0.02 0.00 0.00 55.36 54.16 1oqe s GLN 3 Cb 0.06 -3.90 0.01 0.00 1.00 0.00 0.00 33.01 30.18 1oqe s GLN 3 CO 0.04 -0.90 1.17 -0.51 -2.12 0.00 0.00 175.29 172.96 1oqe s ASP 4 N 2.10 4.78 -0.10 5.90 1.11 -1.26 -4.79 116.67 124.41 1oqe s ASP 4 Ca 0.03 2.22 -0.30 0.00 0.18 0.00 0.00 52.55 54.68 1oqe s ASP 4 Cb -0.22 -2.58 0.11 0.00 1.07 0.00 0.00 42.92 41.31 1oqe s ASP 4 CO 0.05 -1.86 0.93 0.00 1.18 0.00 0.00 175.17 175.48 1oqe s LEU 6 N -1.59 1.02 -0.03 0.00 0.20 -0.53 -0.69 118.68 117.06 1oqe s LEU 6 Ca -0.00 0.08 0.07 0.00 0.69 0.00 0.00 54.13 54.97 1oqe s LEU 6 Cb -0.01 0.00 -0.02 0.00 -0.43 0.00 0.00 46.19 45.74 1oqe s LEU 6 CO -0.01 -0.13 -0.24 -1.58 -0.29 0.00 0.00 176.35 174.09 1oqe s GLN 7 N 1.08 2.16 0.11 1.98 0.74 -0.41 -1.58 119.66 123.74 1oqe s GLN 7 Ca -0.09 -0.87 0.08 0.00 0.05 0.00 0.00 55.36 54.53 1oqe s GLN 7 Cb -0.13 -1.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.96 1oqe s GLN 7 CO -0.03 0.46 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.51 1oqe s LEU 8 N -0.41 2.84 0.02 3.68 1.02 0.31 -0.62 118.68 125.53 1oqe s LEU 8 Ca 0.04 -0.49 0.03 0.00 0.02 0.00 0.00 54.13 53.73 1oqe s LEU 8 Cb -0.11 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1oqe s LEU 8 CO 0.01 0.18 -0.10 -0.63 0.02 0.00 0.00 176.35 175.83 1oqe s ILE 9 N -1.19 0.74 0.31 -0.59 1.01 0.50 -1.30 121.20 120.69 1oqe s ILE 9 Ca 0.19 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 1oqe s ILE 9 Cb -0.11 -0.68 -0.12 0.00 0.01 0.00 0.00 42.46 41.56 1oqe s ILE 9 CO 0.12 -0.03 1.44 0.00 0.00 0.00 0.00 174.94 176.47 1oqe n ALA 10 N 2.21 1.85 -3.44 9.38 0.00 -0.89 -0.29 120.51 129.33 1oqe n ALA 10 Ca -0.17 0.37 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 1oqe n ALA 10 Cb 0.56 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 1oqe n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oqe s ASP 11 N 0.08 6.11 0.00 0.00 2.15 0.52 -4.18 116.67 121.36 1oqe s ASP 11 Ca 0.60 -2.28 0.04 0.00 0.43 0.00 0.00 52.55 51.34 1oqe s ASP 11 Cb -0.54 -2.10 0.19 0.00 -0.30 0.00 0.00 42.92 40.17 1oqe s ASP 11 CO 0.56 -0.65 1.11 -1.54 -0.17 0.00 0.00 175.17 174.48 1oqe n SER 12 N 4.47 0.00 -0.87 -0.34 3.41 -1.17 -2.54 113.62 116.59 1oqe n SER 12 Ca 0.00 0.45 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1oqe n SER 12 Cb 0.42 -0.46 0.26 0.00 -0.26 0.00 0.00 64.21 64.17 1oqe n SER 12 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oqe n GLU 13 N -1.46 2.11 -4.05 4.33 1.02 -1.26 -4.89 120.64 116.44 1oqe n GLU 13 Ca 0.01 -1.70 -0.12 0.00 -0.02 0.00 0.00 57.16 55.33 1oqe n GLU 13 Cb 0.05 -1.41 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 1oqe n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1oqe s THR 14 N -1.49 0.42 0.66 2.62 -4.23 -1.05 -5.15 115.64 107.42 1oqe s THR 14 Ca 0.34 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.77 1oqe s THR 14 Cb 0.18 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.54 1oqe s THR 14 CO 0.25 -0.34 1.20 -2.84 -0.54 0.00 0.00 174.62 172.35 1oqe s PRO 15 N -1.34 2.58 0.45 3.99 0.02 -1.26 -4.86 135.00 134.57 1oqe s PRO 15 Ca -0.10 1.75 -0.24 0.00 0.02 0.00 0.00 61.00 62.43 1oqe s PRO 15 Cb -0.09 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 1oqe s PRO 15 CO 0.00 -1.49 1.26 0.95 -0.33 0.00 0.00 177.00 177.38 1oqe s THR 16 N -1.85 2.73 -0.16 0.99 -4.23 -1.26 -4.68 115.64 107.17 1oqe s THR 16 Ca 0.75 0.59 -0.24 0.00 -1.18 0.00 0.00 61.69 61.61 1oqe s THR 16 Cb -0.29 -3.32 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 1oqe s THR 16 CO 0.40 0.04 0.78 -0.63 -0.54 0.00 0.00 174.62 174.66 1oqe s ILE 17 N -1.38 4.93 -0.19 2.99 1.01 -0.34 -4.91 121.20 123.32 1oqe s ILE 17 Ca 0.62 1.52 -0.09 0.00 0.00 0.00 0.00 60.65 62.70 1oqe s ILE 17 Cb -0.35 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1oqe s ILE 17 CO 0.43 0.07 0.12 -1.10 0.00 0.00 0.00 174.94 174.46 1oqe s GLN 18 N 1.95 4.10 -0.30 2.79 1.11 -1.26 -0.36 119.66 127.69 1oqe s GLN 18 Ca 0.36 -0.24 -0.08 0.00 0.01 0.00 0.00 55.36 55.42 1oqe s GLN 18 Cb -0.17 -3.37 0.15 0.00 -1.01 0.00 0.00 33.01 28.62 1oqe s GLN 18 CO 0.13 0.33 0.67 0.21 0.01 0.00 0.00 175.29 176.64 1oqe s LYS 19 N 0.27 0.54 -1.26 2.91 2.20 -0.74 -4.99 119.74 118.66 1oqe s LYS 19 Ca 0.08 1.22 -0.11 0.00 -0.36 0.00 0.00 55.97 56.79 1oqe s LYS 19 Cb -0.11 0.72 -0.00 0.00 -1.51 0.00 0.00 37.83 36.92 1oqe s LYS 19 CO -0.01 -0.33 0.63 0.41 -0.36 0.00 0.00 175.35 175.69 1oqe n GLY 20 N 5.41 -0.62 2.57 5.54 0.00 -1.26 -1.62 105.19 115.20 1oqe n GLY 20 Ca -0.08 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1oqe n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqe n SER 21 N -2.81 -5.06 -4.37 1.61 3.41 -1.26 -4.99 113.62 100.16 1oqe n SER 21 Ca -0.20 0.27 -0.26 0.00 -0.26 0.00 0.00 58.87 58.42 1oqe n SER 21 Cb 0.64 -3.50 -0.12 0.00 -0.26 0.00 0.00 64.21 60.96 1oqe n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1oqe s TYR 22 N -2.14 2.11 -0.11 7.33 1.51 -0.64 -3.29 117.35 122.12 1oqe s TYR 22 Ca 0.00 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1oqe s TYR 22 Cb 0.00 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1oqe s TYR 22 CO 0.00 0.35 -0.14 0.99 -1.11 0.00 0.00 175.55 175.64 1oqe s THR 23 N -1.41 2.99 -0.11 -0.71 2.01 0.97 -1.79 115.64 117.59 1oqe s THR 23 Ca 0.14 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.47 1oqe s THR 23 Cb -0.09 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1oqe s THR 23 CO 0.07 0.54 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.98 1oqe s PHE 24 N 0.09 2.65 0.23 4.92 0.40 0.51 -1.41 117.98 125.37 1oqe s PHE 24 Ca -0.06 -0.89 -0.30 0.00 -0.60 0.00 0.00 56.93 55.08 1oqe s PHE 24 Cb -0.15 -1.75 -0.09 0.00 0.51 0.00 0.00 43.02 41.54 1oqe s PHE 24 CO 0.05 -0.33 1.27 0.08 0.70 0.00 0.00 175.22 176.98 1oqe s VAL 25 N 0.32 3.20 -0.41 -0.44 1.01 -1.26 -1.20 120.40 121.62 1oqe s VAL 25 Ca -0.15 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1oqe s VAL 25 Cb -0.17 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1oqe s VAL 25 CO 0.08 0.19 1.17 -2.84 0.00 0.00 0.00 175.10 173.69 1oqe s PRO 26 N -0.62 3.82 0.28 2.72 0.02 -1.26 -4.88 135.00 135.08 1oqe s PRO 26 Ca 0.53 0.82 -0.07 0.00 0.02 0.00 0.00 61.00 62.30 1oqe s PRO 26 Cb -0.36 -3.87 -0.06 0.00 0.02 0.00 0.00 34.50 30.23 1oqe s PRO 26 CO 0.41 -1.24 0.58 -1.58 -0.33 0.00 0.00 177.00 174.83 1oqe s TRP 27 N 4.34 3.46 0.00 6.54 0.52 -1.26 -0.35 118.94 132.19 1oqe s TRP 27 Ca 0.50 0.78 0.02 0.00 0.02 0.00 0.00 56.10 57.42 1oqe s TRP 27 Cb -0.10 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.01 1oqe s TRP 27 CO 0.26 0.18 -0.08 -1.17 0.02 0.00 0.00 176.95 176.17 1oqe s LEU 28 N -3.29 2.06 0.12 2.99 2.96 0.60 -4.74 118.68 119.39 1oqe s LEU 28 Ca 0.46 -0.21 -0.31 0.00 -0.22 0.00 0.00 54.13 53.85 1oqe s LEU 28 Cb -0.11 -0.35 -0.09 0.00 0.50 0.00 0.00 46.19 46.15 1oqe s LEU 28 CO 0.27 0.04 1.50 -0.22 -1.32 0.00 0.00 176.35 176.61 1oqe s LEU 29 N -0.44 4.37 -0.20 -0.68 2.96 -1.26 -0.37 118.68 123.06 1oqe s LEU 29 Ca 0.01 2.46 -0.18 0.00 -0.22 0.00 0.00 54.13 56.20 1oqe s LEU 29 Cb -0.04 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.92 1oqe s LEU 29 CO -0.00 -0.76 0.05 -0.24 -1.32 0.00 0.00 176.35 174.09 1oqe n SER 30 N 4.23 1.86 -3.58 3.68 2.88 0.21 -4.79 113.62 118.10 1oqe n SER 30 Ca 0.13 0.47 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 1oqe n SER 30 Cb 0.41 -0.93 -0.05 0.00 -0.75 0.00 0.00 64.21 62.89 1oqe n SER 30 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1oqe s PHE 31 N -2.36 -0.33 -0.05 0.66 -0.12 -1.06 -4.99 117.98 109.74 1oqe s PHE 31 Ca -0.26 0.53 0.03 0.00 -0.05 0.00 0.00 56.93 57.18 1oqe s PHE 31 Cb 0.06 0.46 0.01 0.00 -0.63 0.00 0.00 43.02 42.91 1oqe s PHE 31 CO 0.48 -0.32 -0.12 0.21 -0.05 0.00 0.00 175.22 175.42 1oqe s LYS 32 N -1.25 1.51 -0.08 1.99 2.20 -1.26 -1.29 119.74 121.57 1oqe s LYS 32 Ca 0.00 -0.43 -0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1oqe s LYS 32 Cb -0.01 -1.30 0.03 0.00 -1.51 0.00 0.00 37.83 35.04 1oqe s LYS 32 CO -0.00 0.10 -0.03 0.50 -0.36 0.00 0.00 175.35 175.56 1oqe s ARG 33 N 0.40 0.88 0.86 4.03 3.52 0.13 -5.02 118.95 123.75 1oqe s ARG 33 Ca -0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1oqe s ARG 33 Cb -0.13 -1.09 0.00 0.00 -1.56 0.00 0.00 34.95 32.17 1oqe s ARG 33 CO 0.02 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 1oqe n GLY 34 N 4.87 -1.76 0.00 8.12 0.00 -1.26 -1.22 105.19 113.93 1oqe n GLY 34 Ca -0.12 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1oqe n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqe n SER 35 N 0.16 2.90 0.26 1.61 3.41 -1.26 -4.76 113.62 115.95 1oqe n SER 35 Ca 0.00 -0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.56 1oqe n SER 35 Cb 0.00 0.95 0.83 0.00 -0.26 0.00 0.00 64.21 65.73 1oqe n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqe h ALA 36 N 0.00 1.72 -4.17 7.33 0.00 -1.93 -3.43 119.26 118.79 1oqe h ALA 36 Ca 0.00 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1oqe h ALA 36 Cb 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.51 1oqe h ALA 36 CO 0.00 -0.07 -0.82 -0.51 0.00 0.00 0.00 179.25 177.85 1oqe s LEU 37 N -8.03 2.06 0.08 0.00 1.43 -1.26 -0.07 118.68 112.89 1oqe s LEU 37 Ca -0.05 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1oqe s LEU 37 Cb 0.16 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1oqe s LEU 37 CO 0.58 0.16 -0.05 -1.61 0.23 0.00 0.00 176.35 175.66 1oqe s GLU 38 N -0.51 0.76 -0.08 1.70 2.02 -0.45 -4.88 118.70 117.25 1oqe s GLU 38 Ca 0.05 -1.30 -0.07 0.00 0.02 0.00 0.00 54.97 53.68 1oqe s GLU 38 Cb -0.06 -0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.07 1oqe s GLU 38 CO -0.00 -0.05 0.18 -1.83 0.02 0.00 0.00 175.26 173.57 1oqe s GLU 39 N -3.87 3.49 -0.22 1.61 -1.05 -1.26 0.24 118.70 117.63 1oqe s GLU 39 Ca 0.10 -0.11 -0.05 0.00 -0.15 0.00 0.00 54.97 54.76 1oqe s GLU 39 Cb 0.06 -3.17 0.12 0.00 -0.44 0.00 0.00 34.13 30.70 1oqe s GLU 39 CO -0.06 0.75 0.41 0.21 0.95 0.00 0.00 175.26 177.51 1oqe s LYS 40 N -1.22 0.35 -1.35 -4.83 2.20 0.23 -4.85 119.74 110.26 1oqe s LYS 40 Ca 0.18 0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 1oqe s LYS 40 Cb -0.13 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 1oqe s LYS 40 CO 0.08 -0.45 0.48 0.39 -0.36 0.00 0.00 175.35 175.50 1oqe n GLU 41 N 5.38 -2.77 -1.28 4.03 1.02 -1.26 -0.82 120.64 124.94 1oqe n GLU 41 Ca -0.06 0.39 -0.10 0.00 -0.02 0.00 0.00 57.16 57.38 1oqe n GLU 41 Cb 0.50 -4.36 -0.04 0.00 -0.02 0.00 0.00 31.44 27.52 1oqe n GLU 41 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1oqe n ASN 42 N -2.90 -4.61 -4.35 1.62 4.05 -1.26 -4.99 115.26 102.82 1oqe n ASN 42 Ca -0.27 0.24 -0.21 0.00 0.45 0.00 0.00 54.58 54.79 1oqe n ASN 42 Cb 0.67 -2.95 -0.10 0.00 1.23 0.00 0.00 39.78 38.62 1oqe n ASN 42 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1oqe s LYS 43 N -2.62 1.62 -0.26 1.20 1.02 0.00 -4.86 119.74 115.85 1oqe s LYS 43 Ca 0.00 -1.91 -0.07 0.00 0.02 0.00 0.00 55.97 54.01 1oqe s LYS 43 Cb 0.00 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 36.65 1oqe s LYS 43 CO 0.00 -0.27 0.06 0.42 -0.92 0.00 0.00 175.35 174.64 1oqe s ILE 44 N -3.42 4.16 -0.17 2.17 1.01 -0.38 -0.60 121.20 123.97 1oqe s ILE 44 Ca 0.35 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 1oqe s ILE 44 Cb 0.08 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1oqe s ILE 44 CO 0.15 0.30 0.26 -0.22 0.00 0.00 0.00 174.94 175.43 1oqe s LEU 45 N 1.58 4.24 -0.11 2.97 2.96 0.14 -0.29 118.68 130.17 1oqe s LEU 45 Ca 0.06 0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 54.22 1oqe s LEU 45 Cb -0.15 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1oqe s LEU 45 CO 0.03 0.12 0.61 -0.69 -1.32 0.00 0.00 176.35 175.10 1oqe s VAL 46 N 0.43 5.08 -0.51 1.68 1.01 -0.17 -1.35 120.40 126.57 1oqe s VAL 46 Ca 0.15 1.23 0.12 0.00 0.00 0.00 0.00 61.98 63.48 1oqe s VAL 46 Cb -0.13 -3.95 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 1oqe s VAL 46 CO 0.03 0.24 0.49 0.29 0.00 0.00 0.00 175.10 176.14 1oqe n LYS 47 N 4.05 2.81 -3.73 2.72 4.76 0.90 -0.54 118.16 129.14 1oqe n LYS 47 Ca -0.03 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.24 1oqe n LYS 47 Cb 0.51 -1.08 -0.16 0.00 -1.84 0.00 0.00 35.03 32.45 1oqe n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1oqe s GLU 48 N -2.19 -0.04 0.51 1.97 2.02 -1.23 -4.78 118.70 114.96 1oqe s GLU 48 Ca 0.04 0.28 -0.19 0.00 0.02 0.00 0.00 54.97 55.11 1oqe s GLU 48 Cb 0.09 -0.32 -0.07 0.00 0.10 0.00 0.00 34.13 33.93 1oqe s GLU 48 CO 0.49 -0.22 1.06 0.95 0.02 0.00 0.00 175.26 177.56 1oqe s THR 49 N 1.45 3.63 -4.20 3.63 -4.23 -1.26 -4.56 115.64 110.10 1oqe s THR 49 Ca -0.04 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 1oqe s THR 49 Cb -0.13 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1oqe s THR 49 CO -0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1oqe n GLY 50 N -0.24 -0.51 3.63 3.99 0.00 -0.27 -4.95 105.19 106.84 1oqe n GLY 50 Ca 0.10 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1oqe n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oqe s TYR 51 N -3.00 3.25 0.08 1.61 1.51 -1.26 -1.20 117.35 118.34 1oqe s TYR 51 Ca 0.00 0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 1oqe s TYR 51 Cb 0.00 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1oqe s TYR 51 CO 0.00 0.10 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.27 1oqe s PHE 52 N 0.58 1.88 -0.26 2.71 0.40 -0.35 -0.55 117.98 122.39 1oqe s PHE 52 Ca 0.04 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 1oqe s PHE 52 Cb -0.13 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1oqe s PHE 52 CO 0.01 0.17 0.29 0.12 0.70 0.00 0.00 175.22 176.52 1oqe s PHE 53 N -1.00 3.26 -0.08 0.36 5.36 0.94 -1.44 117.98 125.39 1oqe s PHE 53 Ca 0.08 0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.41 1oqe s PHE 53 Cb -0.10 -2.47 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1oqe s PHE 53 CO 0.03 -0.15 -0.19 0.42 -1.46 0.00 0.00 175.22 173.88 1oqe s ILE 54 N 1.76 2.59 0.06 3.12 1.01 0.24 -0.52 121.20 129.47 1oqe s ILE 54 Ca 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1oqe s ILE 54 Cb -0.15 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1oqe s ILE 54 CO 0.09 0.56 0.04 -0.72 0.00 0.00 0.00 174.94 174.92 1oqe s TYR 55 N -0.16 0.38 -0.11 3.97 -0.85 -0.59 -1.44 117.35 118.54 1oqe s TYR 55 Ca -0.02 -0.86 -0.30 0.00 -0.52 0.00 0.00 57.07 55.37 1oqe s TYR 55 Cb -0.14 -0.27 0.10 0.00 0.38 0.00 0.00 41.96 42.04 1oqe s TYR 55 CO 0.04 -0.42 0.84 0.20 -1.52 0.00 0.00 175.55 174.69 1oqe s GLY 56 N -2.78 -0.42 -0.02 5.49 0.00 -0.66 -1.40 107.32 107.53 1oqe s GLY 56 Ca 0.05 1.70 -0.04 0.00 0.00 0.00 0.00 44.72 46.43 1oqe s GLY 56 CO -0.09 1.03 0.08 1.62 0.00 0.00 0.00 173.10 175.73 1oqe s GLN 57 N -1.09 0.23 0.00 2.90 0.74 -0.19 -1.81 119.66 120.44 1oqe s GLN 57 Ca -0.06 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.23 1oqe s GLN 57 Cb -0.00 0.10 -0.00 0.00 1.10 0.00 0.00 33.01 34.20 1oqe s GLN 57 CO 0.05 -0.04 -0.00 0.08 -0.55 0.00 0.00 175.29 174.83 1oqe s VAL 58 N -0.53 0.03 -0.36 1.34 1.01 -1.12 -1.27 120.40 119.51 1oqe s VAL 58 Ca -0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1oqe s VAL 58 Cb -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 1oqe s VAL 58 CO 0.00 -0.00 0.25 -0.22 0.00 0.00 0.00 175.10 175.13 1oqe s LEU 59 N -0.04 4.66 -0.08 3.92 0.20 -1.25 -1.73 118.68 124.36 1oqe s LEU 59 Ca -0.00 -0.60 -0.17 0.00 0.69 0.00 0.00 54.13 54.05 1oqe s LEU 59 Cb -0.00 -2.12 -0.05 0.00 -0.43 0.00 0.00 46.19 43.59 1oqe s LEU 59 CO -0.00 -0.30 0.43 -0.31 -0.29 0.00 0.00 176.35 175.88 1oqe s TYR 60 N 1.69 3.58 -0.15 5.38 1.51 0.17 -1.68 117.35 127.84 1oqe s TYR 60 Ca 0.05 0.89 0.18 0.00 -1.01 0.00 0.00 57.07 57.18 1oqe s TYR 60 Cb -0.18 -2.44 0.44 0.00 -0.11 0.00 0.00 41.96 39.67 1oqe s TYR 60 CO 0.10 0.33 1.18 0.25 -1.11 0.00 0.00 175.55 176.30 1oqe n THR 61 N 3.06 1.28 -4.51 -0.71 -2.24 -0.49 -1.72 114.28 108.95 1oqe n THR 61 Ca -0.10 -2.50 -0.34 0.00 -2.27 0.00 0.00 64.05 58.84 1oqe n THR 61 Cb 0.52 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 1oqe n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oqe s ASP 62 N -2.93 4.76 -0.19 3.42 3.68 -1.10 -4.77 116.67 119.54 1oqe s ASP 62 Ca 0.37 -0.06 0.07 0.00 2.13 0.00 0.00 52.55 55.06 1oqe s ASP 62 Cb 0.37 -1.49 0.50 0.00 -1.45 0.00 0.00 42.92 40.86 1oqe s ASP 62 CO -0.09 0.28 1.39 2.29 0.13 0.00 0.00 175.17 179.17 1oqe n LYS 63 N 2.81 3.04 0.00 4.34 2.85 -1.26 -4.68 118.16 125.25 1oqe n LYS 63 Ca -0.18 -2.01 0.00 0.00 -1.05 0.00 0.00 58.31 55.07 1oqe n LYS 63 Cb 0.53 -1.93 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 1oqe n LYS 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1oqe n THR 64 N 0.13 0.33 0.00 0.58 -1.04 -1.26 -4.80 114.28 108.21 1oqe n THR 64 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1oqe n THR 64 Cb 0.98 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1oqe n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oqe n TYR 65 N 0.74 0.00 -3.67 -1.42 0.18 -1.26 -4.69 117.16 107.04 1oqe n TYR 65 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1oqe n TYR 65 Cb 0.18 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.03 1oqe n TYR 65 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1oqe s ALA 66 N 0.00 -1.07 0.26 -3.48 0.00 -1.26 -0.92 121.76 115.29 1oqe s ALA 66 Ca 0.00 1.47 0.06 0.00 0.00 0.00 0.00 51.96 53.49 1oqe s ALA 66 Cb 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1oqe s ALA 66 CO 0.00 -0.57 -0.06 -1.64 0.00 0.00 0.00 175.76 173.49 1oqe s MET 67 N 2.17 1.47 0.00 0.00 -1.94 -0.34 -4.95 119.30 115.72 1oqe s MET 67 Ca -0.04 -1.73 0.00 0.00 -1.71 0.00 0.00 55.69 52.21 1oqe s MET 67 Cb -0.11 -1.04 0.00 0.00 2.01 0.00 0.00 34.83 35.69 1oqe s MET 67 CO -0.12 0.03 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1oqe n GLY 68 N -0.52 0.01 3.19 -0.03 0.00 -1.26 -0.37 105.19 106.22 1oqe n GLY 68 Ca -0.06 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 1oqe n GLY 68 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1oqe s HIS 69 N -2.00 1.10 -0.02 1.61 -3.43 -1.08 -4.28 115.29 107.19 1oqe s HIS 69 Ca 0.00 -1.31 0.06 0.00 -0.80 0.00 0.00 55.06 53.01 1oqe s HIS 69 Cb 0.00 -0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 30.57 1oqe s HIS 69 CO 0.00 -0.57 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.46 1oqe s LEU 70 N -3.14 2.04 -0.30 5.38 1.43 0.12 -1.88 118.68 122.32 1oqe s LEU 70 Ca 0.34 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1oqe s LEU 70 Cb 0.07 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.23 1oqe s LEU 70 CO 0.09 0.25 0.14 -0.63 0.23 0.00 0.00 176.35 176.42 1oqe s ILE 71 N -0.46 4.52 0.20 -0.59 1.01 0.46 -0.60 121.20 125.74 1oqe s ILE 71 Ca 0.07 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.41 1oqe s ILE 71 Cb -0.08 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1oqe s ILE 71 CO -0.01 0.10 -0.14 -1.10 0.00 0.00 0.00 174.94 173.80 1oqe s GLN 72 N 1.60 1.89 -0.12 2.79 -0.21 0.26 -1.19 119.66 124.68 1oqe s GLN 72 Ca 0.05 -1.41 0.03 0.00 0.02 0.00 0.00 55.36 54.04 1oqe s GLN 72 Cb -0.17 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.82 1oqe s GLN 72 CO 0.06 0.41 -0.21 0.50 -2.12 0.00 0.00 175.29 173.92 1oqe s ARG 73 N -2.96 3.09 -0.46 2.91 3.52 0.18 -1.73 118.95 123.50 1oqe s ARG 73 Ca 0.25 -0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 54.86 1oqe s ARG 73 Cb -0.08 -2.42 0.07 0.00 -1.56 0.00 0.00 34.95 30.96 1oqe s ARG 73 CO 0.14 0.09 0.37 0.15 -0.81 0.00 0.00 175.30 175.23 1oqe s LYS 74 N 0.59 2.94 0.22 5.12 1.02 0.10 -0.66 119.74 129.07 1oqe s LYS 74 Ca -0.12 -1.32 -0.30 0.00 0.02 0.00 0.00 55.97 54.25 1oqe s LYS 74 Cb -0.17 -4.07 -0.09 0.00 -0.52 0.00 0.00 37.83 32.98 1oqe s LYS 74 CO 0.03 -0.98 1.39 0.15 -0.92 0.00 0.00 175.35 175.02 1oqe s LYS 75 N 1.62 4.32 0.10 1.68 1.02 0.56 -2.36 119.74 126.67 1oqe s LYS 75 Ca 0.04 2.20 -0.06 0.00 0.02 0.00 0.00 55.97 58.17 1oqe s LYS 75 Cb -0.23 -3.15 -0.19 0.00 -0.52 0.00 0.00 37.83 33.74 1oqe s LYS 75 CO 0.07 -0.36 1.22 0.28 -0.92 0.00 0.00 175.35 175.64 1oqe h VAL 76 N 3.64 1.41 -3.32 3.17 2.07 -1.88 -3.44 116.25 117.90 1oqe h VAL 76 Ca -0.45 -2.63 -0.64 0.00 0.82 0.00 0.00 66.70 63.79 1oqe h VAL 76 Cb 1.22 2.63 -0.23 0.00 -1.52 0.00 0.00 31.29 33.38 1oqe h VAL 76 CO 0.78 0.78 -0.69 -1.00 0.02 0.00 0.00 177.57 177.46 1oqe s HIS 77 N -3.03 2.97 -0.01 1.57 3.76 -1.26 -5.07 115.29 114.22 1oqe s HIS 77 Ca -0.06 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.49 1oqe s HIS 77 Cb 0.08 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 1oqe s HIS 77 CO 0.88 -0.11 -0.16 0.08 -0.85 0.00 0.00 174.74 174.59 1oqe s VAL 78 N 0.44 1.23 0.06 -0.90 1.01 -1.26 -5.04 120.40 115.94 1oqe s VAL 78 Ca -0.05 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1oqe s VAL 78 Cb -0.15 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1oqe s VAL 78 CO 0.03 0.35 -0.23 -0.36 0.00 0.00 0.00 175.10 174.89 1oqe s PHE 79 N -0.36 1.97 0.00 5.22 0.40 -1.26 -5.02 117.98 118.93 1oqe s PHE 79 Ca 0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1oqe s PHE 79 Cb -0.06 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.32 1oqe s PHE 79 CO -0.01 0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.46 1oqe n GLY 80 N 1.65 2.59 1.70 4.36 0.00 -1.26 -0.92 105.19 113.30 1oqe n GLY 80 Ca -0.17 0.32 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1oqe n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oqe n ASP 81 N 4.11 5.07 -4.73 1.61 5.75 -1.26 -5.00 116.55 122.10 1oqe n ASP 81 Ca 0.00 -3.05 -0.33 0.00 -0.01 0.00 0.00 54.79 51.40 1oqe n ASP 81 Cb 0.00 -0.67 0.10 0.00 -1.03 0.00 0.00 41.12 39.52 1oqe n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1oqe s GLU 82 N -2.86 2.02 -0.02 0.11 2.02 -0.10 -5.00 118.70 114.87 1oqe s GLU 82 Ca 0.52 1.54 -0.14 0.00 0.02 0.00 0.00 54.97 56.91 1oqe s GLU 82 Cb 0.41 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 1oqe s GLU 82 CO 0.13 -1.88 0.38 -0.51 0.02 0.00 0.00 175.26 173.40 1oqe s LEU 83 N -5.57 4.46 0.06 1.80 1.02 -1.26 -4.84 118.68 114.35 1oqe s LEU 83 Ca 0.69 0.90 0.27 0.00 0.02 0.00 0.00 54.13 56.01 1oqe s LEU 83 Cb -0.24 -2.53 0.82 0.00 0.02 0.00 0.00 46.19 44.26 1oqe s LEU 83 CO 0.49 0.32 1.67 -1.54 0.02 0.00 0.00 176.35 177.31 1oqe n SER 84 N 1.94 0.40 -4.25 2.29 3.41 -1.26 -4.64 113.62 111.51 1oqe n SER 84 Ca -0.14 0.27 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 1oqe n SER 84 Cb 0.53 -0.26 -0.13 0.00 -0.26 0.00 0.00 64.21 64.08 1oqe n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oqe s LEU 85 N -3.51 3.61 -0.13 1.04 1.98 -1.26 -0.32 118.68 120.09 1oqe s LEU 85 Ca 0.11 -0.90 -0.00 0.00 -2.89 0.00 0.00 54.13 50.46 1oqe s LEU 85 Cb 0.16 -1.76 -0.02 0.00 0.66 0.00 0.00 46.19 45.24 1oqe s LEU 85 CO 0.62 -0.18 -0.13 -0.69 -1.89 0.00 0.00 176.35 174.08 1oqe s VAL 86 N 1.38 3.10 -0.42 1.68 1.01 0.17 -4.95 120.40 122.36 1oqe s VAL 86 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1oqe s VAL 86 Cb -0.17 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1oqe s VAL 86 CO -0.01 0.53 0.42 0.28 0.00 0.00 0.00 175.10 176.31 1oqe s THR 87 N 0.28 5.11 -0.01 3.92 -1.32 -1.26 0.51 115.64 122.87 1oqe s THR 87 Ca -0.09 -0.39 -0.21 0.00 -1.21 0.00 0.00 61.69 59.78 1oqe s THR 87 Cb -0.16 -4.02 -0.12 0.00 -1.51 0.00 0.00 72.50 66.69 1oqe s THR 87 CO 0.05 -0.41 0.91 -0.07 -2.21 0.00 0.00 174.62 172.90 1oqe h LEU 88 N 8.99 -0.57 -7.95 9.08 4.07 -1.51 -3.47 115.31 123.96 1oqe h LEU 88 Ca -0.26 -0.03 -0.35 0.00 0.08 0.00 0.00 57.88 57.32 1oqe h LEU 88 Cb 1.11 0.15 -0.28 0.00 1.08 0.00 0.00 40.66 42.71 1oqe h LEU 88 CO 0.78 -0.16 -0.76 -0.36 -1.08 0.00 0.00 178.44 176.86 1oqe s PHE 89 N -4.04 0.59 -0.00 1.13 0.40 -1.17 -5.01 117.98 109.89 1oqe s PHE 89 Ca -0.12 -0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.05 1oqe s PHE 89 Cb 0.01 -0.38 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 1oqe s PHE 89 CO 0.37 -0.01 0.10 -0.98 0.70 0.00 0.00 175.22 175.40 1oqe s ARG 90 N -0.16 0.40 0.11 0.44 1.70 -1.26 -0.40 118.95 119.77 1oqe s ARG 90 Ca 0.02 -0.36 0.01 0.00 -0.47 0.00 0.00 55.73 54.93 1oqe s ARG 90 Cb -0.03 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.48 1oqe s ARG 90 CO -0.00 -0.09 -0.02 0.00 -1.08 0.00 0.00 175.30 174.11 1oqe s ILE 92 N -3.76 0.15 -0.05 0.00 1.01 -1.26 -2.63 121.20 114.67 1oqe s ILE 92 Ca 0.16 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1oqe s ILE 92 Cb 0.06 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.37 1oqe s ILE 92 CO -0.03 -0.15 -0.04 -1.10 0.00 0.00 0.00 174.94 173.62 1oqe s GLN 93 N -0.57 0.82 0.40 2.79 -1.52 0.50 -4.98 119.66 117.10 1oqe s GLN 93 Ca -0.05 -0.08 -0.25 0.00 -1.95 0.00 0.00 55.36 53.03 1oqe s GLN 93 Cb -0.04 -0.88 -0.08 0.00 -0.22 0.00 0.00 33.01 31.78 1oqe s GLN 93 CO -0.00 -0.12 1.14 -0.80 -0.25 0.00 0.00 175.29 175.25 1oqe s ASN 94 N 1.10 6.58 0.02 5.90 0.01 -1.26 -1.19 114.94 126.10 1oqe s ASN 94 Ca -0.08 2.27 0.05 0.00 -0.71 0.00 0.00 52.86 54.39 1oqe s ASN 94 Cb -0.14 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 1oqe s ASN 94 CO -0.01 -0.63 -0.12 -0.04 -1.51 0.00 0.00 177.10 174.79 1oqe s MET 95 N -2.33 2.31 0.65 -0.60 -1.94 -0.09 -4.89 119.30 112.40 1oqe s MET 95 Ca 0.57 -0.85 -0.09 0.00 -1.71 0.00 0.00 55.69 53.61 1oqe s MET 95 Cb -0.29 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.22 1oqe s MET 95 CO 0.36 0.57 1.00 -2.14 -0.01 0.00 0.00 175.02 174.80 1oqe s PRO 96 N -1.45 2.91 0.08 2.03 0.02 -1.26 -4.26 135.00 133.06 1oqe s PRO 96 Ca 0.16 0.26 0.01 0.00 0.02 0.00 0.00 61.00 61.45 1oqe s PRO 96 Cb -0.11 -2.14 -0.25 0.00 0.02 0.00 0.00 34.50 32.02 1oqe s PRO 96 CO 0.07 -0.86 1.13 1.49 -0.33 0.00 0.00 177.00 178.49 1oqe h GLU 97 N -0.42 0.15 0.00 5.54 4.57 -1.98 -3.39 114.58 119.05 1oqe h GLU 97 Ca -0.45 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.48 1oqe h GLU 97 Cb 1.25 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1oqe h GLU 97 CO 0.62 1.08 0.00 0.25 -1.18 0.00 0.00 179.01 179.78 1oqe n THR 98 N -3.42 0.00 -3.64 0.32 -2.24 -1.26 -4.76 114.28 99.28 1oqe n THR 98 Ca -0.07 0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 1oqe n THR 98 Cb 1.00 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1oqe n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1oqe n LEU 99 N -0.68 3.53 -4.52 3.22 4.77 -1.26 -5.06 117.00 116.99 1oqe n LEU 99 Ca 0.00 -5.32 -0.53 0.00 -0.03 0.00 0.00 56.01 50.13 1oqe n LEU 99 Cb 0.00 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 40.27 1oqe n LEU 99 CO 0.00 1.89 1.64 -2.65 -1.33 0.00 0.00 177.39 176.94 1oqe n PRO 100 N 1.44 1.10 -2.89 3.23 -0.02 -1.26 -4.89 135.00 131.70 1oqe n PRO 100 Ca 0.25 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1oqe n PRO 100 Cb 0.38 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 1oqe n PRO 100 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1oqe n ASN 101 N 8.16 -2.77 -3.96 2.55 3.02 -1.21 -4.12 115.26 116.92 1oqe n ASN 101 Ca 0.37 -2.83 -0.23 0.00 -0.03 0.00 0.00 54.58 51.86 1oqe n ASN 101 Cb 0.18 1.26 -0.17 0.00 -0.61 0.00 0.00 39.78 40.44 1oqe n ASN 101 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1oqe s ASN 102 N 0.51 1.52 -0.01 6.41 0.01 -0.70 -4.98 114.94 117.71 1oqe s ASN 102 Ca 0.31 -0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.24 1oqe s ASN 102 Cb 0.03 -0.69 -0.03 0.00 0.41 0.00 0.00 41.25 40.96 1oqe s ASN 102 CO -0.09 -0.02 -0.02 -0.94 -1.51 0.00 0.00 177.10 174.51 1oqe s SER 103 N 0.89 4.95 -0.08 -1.22 1.04 -1.26 0.46 113.70 118.47 1oqe s SER 103 Ca -0.11 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1oqe s SER 103 Cb -0.15 -1.26 0.01 0.00 0.10 0.00 0.00 66.02 64.73 1oqe s SER 103 CO 0.01 0.29 -0.13 0.00 0.98 0.00 0.00 173.24 174.39 1oqe s TYR 105 N 0.84 2.82 -0.06 0.00 5.04 -1.26 -2.79 117.35 121.95 1oqe s TYR 105 Ca -0.11 -0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.31 1oqe s TYR 105 Cb -0.15 -1.65 0.03 0.00 0.35 0.00 0.00 41.96 40.53 1oqe s TYR 105 CO 0.01 0.28 0.34 0.45 -1.34 0.00 0.00 175.55 175.29 1oqe s SER 106 N -0.90 -0.27 0.13 4.32 0.15 -0.75 -5.02 113.70 111.36 1oqe s SER 106 Ca 0.13 0.32 -0.21 0.00 0.70 0.00 0.00 55.95 56.88 1oqe s SER 106 Cb -0.11 0.46 0.06 0.00 -1.71 0.00 0.00 66.02 64.72 1oqe s SER 106 CO 0.02 -0.35 0.53 0.00 1.20 0.00 0.00 173.24 174.65 1oqe s ALA 107 N -0.82 -1.38 0.12 5.45 0.00 -1.26 -1.66 121.76 122.21 1oqe s ALA 107 Ca -0.09 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 1oqe s ALA 107 Cb -0.04 0.75 0.07 0.00 0.00 0.00 0.00 23.12 23.90 1oqe s ALA 107 CO 0.03 -0.69 0.93 0.41 0.00 0.00 0.00 175.76 176.44 1oqe n GLY 108 N -0.21 0.60 3.55 0.00 0.00 -0.52 -5.00 105.19 103.61 1oqe n GLY 108 Ca -0.17 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 1oqe n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oqe s ILE 109 N -2.11 3.37 0.01 -0.61 1.01 -1.26 -0.59 121.20 121.02 1oqe s ILE 109 Ca 0.21 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 1oqe s ILE 109 Cb -0.02 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 40.04 1oqe s ILE 109 CO 0.04 0.40 0.35 0.00 0.00 0.00 0.00 174.94 175.73 1oqe s ALA 110 N -0.95 -0.87 -0.12 9.38 0.00 -0.52 -4.99 121.76 123.69 1oqe s ALA 110 Ca 0.16 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 1oqe s ALA 110 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1oqe s ALA 110 CO 0.06 -0.34 0.52 0.21 0.00 0.00 0.00 175.76 176.21 1oqe s LYS 111 N -1.85 4.34 0.16 0.00 2.20 -1.26 -1.22 119.74 122.11 1oqe s LYS 111 Ca -0.10 0.51 0.08 0.00 -0.36 0.00 0.00 55.97 56.11 1oqe s LYS 111 Cb -0.03 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1oqe s LYS 111 CO 0.02 0.11 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.43 1oqe s LEU 112 N 0.77 2.43 0.28 5.43 1.43 -0.34 -5.00 118.68 123.68 1oqe s LEU 112 Ca 0.28 -0.86 0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1oqe s LEU 112 Cb -0.16 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1oqe s LEU 112 CO 0.11 -0.06 -0.11 -1.61 0.23 0.00 0.00 176.35 174.91 1oqe s GLU 113 N -2.80 1.95 0.10 1.70 2.02 -1.26 -1.11 118.70 119.30 1oqe s GLU 113 Ca 0.15 -1.62 -0.36 0.00 0.02 0.00 0.00 54.97 53.16 1oqe s GLU 113 Cb -0.05 -1.94 -0.16 0.00 0.10 0.00 0.00 34.13 32.08 1oqe s GLU 113 CO 0.06 0.34 1.44 0.39 0.02 0.00 0.00 175.26 177.51 1oqe n GLU 114 N -0.75 1.53 0.00 1.61 1.02 -1.26 -0.76 120.64 122.03 1oqe n GLU 114 Ca -0.06 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1oqe n GLU 114 Cb 0.60 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1oqe n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oqe n GLY 115 N 2.92 2.88 3.77 0.62 0.00 0.30 -4.83 105.19 110.85 1oqe n GLY 115 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1oqe n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oqe s ASP 116 N -1.20 5.32 0.06 1.61 1.01 0.06 -4.48 116.67 119.05 1oqe s ASP 116 Ca 0.00 2.13 0.06 0.00 0.71 0.00 0.00 52.55 55.45 1oqe s ASP 116 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1oqe s ASP 116 CO 0.00 -1.49 -0.17 -1.61 0.21 0.00 0.00 175.17 172.11 1oqe s GLU 117 N -3.67 1.04 0.02 8.23 2.02 -0.99 -1.00 118.70 124.34 1oqe s GLU 117 Ca 0.71 -0.92 0.07 0.00 0.02 0.00 0.00 54.97 54.84 1oqe s GLU 117 Cb -0.23 -1.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.84 1oqe s GLU 117 CO 0.35 0.27 -0.18 -0.51 0.02 0.00 0.00 175.26 175.21 1oqe s LEU 118 N -1.44 2.56 0.04 1.80 1.43 0.61 -0.72 118.68 122.97 1oqe s LEU 118 Ca 0.03 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1oqe s LEU 118 Cb -0.09 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 1oqe s LEU 118 CO 0.02 0.28 0.16 0.00 0.23 0.00 0.00 176.35 177.04 1oqe s GLN 119 N -1.22 0.68 -0.26 1.70 -2.07 -0.71 -1.25 119.66 116.53 1oqe s GLN 119 Ca 0.13 -0.71 -0.05 0.00 -1.82 0.00 0.00 55.36 52.91 1oqe s GLN 119 Cb -0.10 0.28 0.01 0.00 -1.09 0.00 0.00 33.01 32.10 1oqe s GLN 119 CO 0.04 -0.19 0.01 -1.17 -1.32 0.00 0.00 175.29 172.65 1oqe s LEU 120 N -2.20 3.37 0.06 2.60 1.98 -1.26 -0.58 118.68 122.65 1oqe s LEU 120 Ca -0.04 -0.62 0.09 0.00 -2.89 0.00 0.00 54.13 50.68 1oqe s LEU 120 Cb -0.00 -1.79 -0.03 0.00 0.66 0.00 0.00 46.19 45.03 1oqe s LEU 120 CO -0.05 -0.11 -0.26 0.00 -1.89 0.00 0.00 176.35 174.04 1oqe s ALA 121 N 1.46 2.20 -0.26 5.97 0.00 0.23 -4.43 121.76 126.93 1oqe s ALA 121 Ca 0.03 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 1oqe s ALA 121 Cb -0.16 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.56 1oqe s ALA 121 CO -0.01 0.51 -0.07 0.42 0.00 0.00 0.00 175.76 176.61 1oqe s ILE 122 N -0.85 2.66 -0.39 0.00 1.01 -0.50 0.11 121.20 123.24 1oqe s ILE 122 Ca 0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.48 1oqe s ILE 122 Cb -0.10 -2.42 -0.10 0.00 0.01 0.00 0.00 42.46 39.84 1oqe s ILE 122 CO 0.03 0.10 2.15 -2.65 0.00 0.00 0.00 174.94 174.57 1oqe n PRO 123 N 4.60 1.50 -3.80 2.79 -0.02 -1.26 -0.02 135.00 138.79 1oqe n PRO 123 Ca -0.16 -0.93 -0.13 0.00 -2.02 0.00 0.00 63.50 60.27 1oqe n PRO 123 Cb 0.45 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 1oqe n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1oqe s ARG 124 N 2.59 0.23 0.00 -0.52 1.81 -1.21 -4.95 118.95 116.90 1oqe s ARG 124 Ca 0.37 0.29 0.00 0.00 -1.72 0.00 0.00 55.73 54.67 1oqe s ARG 124 Cb 0.14 0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.74 1oqe s ARG 124 CO -0.01 -0.04 0.79 0.39 -0.68 0.00 0.00 175.30 175.75 1oqe n GLU 125 N 3.05 0.00 -3.40 3.54 -0.58 -1.25 -2.95 120.64 119.05 1oqe n GLU 125 Ca -0.13 0.73 -0.26 0.00 -0.42 0.00 0.00 57.16 57.07 1oqe n GLU 125 Cb 0.58 -1.29 -0.08 0.00 -0.57 0.00 0.00 31.44 30.08 1oqe n GLU 125 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1oqe n ASN 126 N -2.06 2.16 -4.65 1.62 4.13 -1.26 -4.53 115.26 110.67 1oqe n ASN 126 Ca 0.00 -3.09 -0.53 0.00 1.68 0.00 0.00 54.58 52.64 1oqe n ASN 126 Cb 0.00 -0.66 -0.06 0.00 -1.54 0.00 0.00 39.78 37.52 1oqe n ASN 126 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1oqe n ALA 127 N 1.32 -0.27 -2.62 5.41 0.00 -1.25 -4.89 120.51 118.21 1oqe n ALA 127 Ca 0.26 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.71 1oqe n ALA 127 Cb 0.45 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 1oqe n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oqe s GLN 128 N 2.00 3.42 0.13 0.00 -1.52 -1.26 -4.99 119.66 117.45 1oqe s GLN 128 Ca 0.90 -0.04 0.05 0.00 -1.95 0.00 0.00 55.36 54.32 1oqe s GLN 128 Cb -0.94 -4.02 -0.04 0.00 -0.22 0.00 0.00 33.01 27.79 1oqe s GLN 128 CO 0.53 -1.48 -0.12 0.42 -0.25 0.00 0.00 175.29 174.39 1oqe s ILE 129 N 4.16 1.26 -0.06 1.08 1.09 -1.26 -1.40 121.20 126.08 1oqe s ILE 129 Ca 0.35 -1.86 -0.14 0.00 -1.10 0.00 0.00 60.65 57.90 1oqe s ILE 129 Cb -0.11 -1.65 -0.05 0.00 -1.06 0.00 0.00 42.46 39.59 1oqe s ILE 129 CO 0.22 -0.56 0.36 -0.55 -0.10 0.00 0.00 174.94 174.31 1oqe s SER 130 N -2.76 6.67 -0.30 3.58 0.15 -0.68 -4.88 113.70 115.49 1oqe s SER 130 Ca 0.12 0.80 0.11 0.00 0.70 0.00 0.00 55.95 57.68 1oqe s SER 130 Cb -0.02 -2.22 0.64 0.00 -1.71 0.00 0.00 66.02 62.71 1oqe s SER 130 CO 0.02 0.26 1.66 0.18 1.20 0.00 0.00 173.24 176.56 1oqe n LEU 131 N 2.34 5.22 -4.74 3.45 4.32 -1.26 -4.62 117.00 121.71 1oqe n LEU 131 Ca -0.14 -3.33 -0.41 0.00 -0.02 0.00 0.00 56.01 52.11 1oqe n LEU 131 Cb 0.53 -0.68 -0.05 0.00 -1.62 0.00 0.00 43.42 41.59 1oqe n LEU 131 CO 0.38 0.90 0.66 -1.81 -1.22 0.00 0.00 177.39 176.29 1oqe s ASP 132 N -1.60 7.57 0.66 -1.43 -0.00 -1.26 -3.02 116.67 117.58 1oqe s ASP 132 Ca 0.50 1.86 0.42 0.00 -0.00 0.00 0.00 52.55 55.34 1oqe s ASP 132 Cb 0.41 -2.60 2.35 0.00 -0.00 0.00 0.00 42.92 43.08 1oqe s ASP 132 CO 0.09 0.04 2.36 1.23 -0.00 0.00 0.00 175.17 178.89 1oqe h GLY 133 N 4.94 0.00 0.95 0.21 0.00 -1.83 -2.46 103.07 104.87 1oqe h GLY 133 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1oqe h GLY 133 CO 0.70 0.00 -0.56 2.09 0.00 0.00 0.00 176.54 178.77 1oqe n ASP 134 N -3.21 0.55 -0.03 0.19 5.75 -1.26 -4.39 116.55 114.15 1oqe n ASP 134 Ca -0.03 -0.25 -0.02 0.00 -0.01 0.00 0.00 54.79 54.49 1oqe n ASP 134 Cb 0.07 0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 40.40 1oqe n ASP 134 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1oqe n VAL 135 N -1.58 0.40 -3.89 2.12 0.24 -0.95 -4.94 118.33 109.73 1oqe n VAL 135 Ca 0.05 -0.31 -0.28 0.00 -2.04 0.00 0.00 64.34 61.76 1oqe n VAL 135 Cb 0.35 -0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 32.07 1oqe n VAL 135 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1oqe s THR 136 N -2.31 1.11 0.17 3.34 -4.23 -1.06 -3.76 115.64 108.90 1oqe s THR 136 Ca -0.04 -0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1oqe s THR 136 Cb 0.03 -1.29 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 1oqe s THR 136 CO 0.34 0.13 0.24 0.72 -0.54 0.00 0.00 174.62 175.51 1oqe s PHE 137 N 1.63 0.59 -0.12 3.99 -0.12 -0.39 -2.10 117.98 121.47 1oqe s PHE 137 Ca 0.01 -0.94 -0.07 0.00 -0.05 0.00 0.00 56.93 55.88 1oqe s PHE 137 Cb -0.15 -0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.10 1oqe s PHE 137 CO -0.08 -0.70 0.28 0.12 -0.05 0.00 0.00 175.22 174.80 1oqe s PHE 138 N -4.02 -0.38 0.25 3.49 5.36 -0.42 -1.02 117.98 121.24 1oqe s PHE 138 Ca 0.22 0.88 -0.14 0.00 -0.96 0.00 0.00 56.93 56.93 1oqe s PHE 138 Cb 0.04 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 1oqe s PHE 138 CO 0.03 -0.25 0.51 0.20 -1.46 0.00 0.00 175.22 174.25 1oqe s GLY 139 N 1.16 0.39 -0.09 13.12 0.00 -0.49 0.11 107.32 121.53 1oqe s GLY 139 Ca -0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 1oqe s GLY 139 CO -0.08 -0.53 0.24 0.00 0.00 0.00 0.00 173.10 172.73 1oqe s ALA 140 N -3.99 -0.60 -0.06 3.20 0.00 -0.62 -1.54 121.76 118.15 1oqe s ALA 140 Ca 0.20 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.85 1oqe s ALA 140 Cb -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1oqe s ALA 140 CO 0.08 -0.12 -0.10 -1.17 0.00 0.00 0.00 175.76 174.45 1oqe s LEU 141 N 0.11 1.56 -0.08 0.00 0.20 0.33 -1.46 118.68 119.34 1oqe s LEU 141 Ca -0.00 -0.24 -0.27 0.00 0.69 0.00 0.00 54.13 54.31 1oqe s LEU 141 Cb -0.02 -0.70 -0.02 0.00 -0.43 0.00 0.00 46.19 45.02 1oqe s LEU 141 CO 0.00 0.01 0.87 -0.75 -0.29 0.00 0.00 176.35 176.20 1oqe s LYS 142 N 0.71 4.44 0.36 1.98 2.20 0.22 -0.04 119.74 129.61 1oqe s LYS 142 Ca -0.13 1.17 -0.17 0.00 -0.36 0.00 0.00 55.97 56.48 1oqe s LYS 142 Cb -0.15 -3.50 -0.10 0.00 -1.51 0.00 0.00 37.83 32.57 1oqe s LYS 142 CO 0.03 -0.13 0.81 -0.51 -0.36 0.00 0.00 175.35 175.18 1oqe s LEU 143 N 1.40 4.02 0.00 5.43 1.43 0.29 -4.33 118.68 126.93 1oqe s LEU 143 Ca 0.44 1.41 0.29 0.00 -1.03 0.00 0.00 54.13 55.24 1oqe s LEU 143 Cb -0.19 -4.23 1.72 0.00 0.03 0.00 0.00 46.19 43.52 1oqe s LEU 143 CO 0.20 -0.26 2.06 0.18 0.23 0.00 0.00 176.35 178.76