#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqd s THR 2 N 0.00 0.98 -0.35 2.52 -4.23 -1.26 -5.13 115.64 108.17 1oqd s THR 2 Ca 0.00 -2.03 -0.08 0.00 -1.18 0.00 0.00 61.69 58.41 1oqd s THR 2 Cb 0.00 -2.29 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1oqd s THR 2 CO 0.00 -0.36 0.13 -1.10 -0.54 0.00 0.00 174.62 172.75 1oqd s GLN 3 N -3.87 2.67 0.53 3.99 -0.21 -1.26 -4.97 119.66 116.54 1oqd s GLN 3 Ca 0.27 -1.16 -0.21 0.00 0.02 0.00 0.00 55.36 54.29 1oqd s GLN 3 Cb 0.06 -3.53 -0.06 0.00 1.00 0.00 0.00 33.01 30.48 1oqd s GLN 3 CO 0.08 -0.68 1.18 -0.51 -2.12 0.00 0.00 175.29 173.24 1oqd s ASP 4 N 1.44 5.71 -0.01 5.90 1.11 -1.26 -4.79 116.67 124.77 1oqd s ASP 4 Ca -0.01 2.33 -0.28 0.00 0.18 0.00 0.00 52.55 54.76 1oqd s ASP 4 Cb -0.19 -2.60 0.08 0.00 1.07 0.00 0.00 42.92 41.28 1oqd s ASP 4 CO 0.04 -1.24 0.74 0.00 1.18 0.00 0.00 175.17 175.89 1oqd s LEU 6 N -1.76 0.67 -0.04 0.00 0.20 -0.75 -0.85 118.68 116.15 1oqd s LEU 6 Ca -0.04 0.22 0.07 0.00 0.69 0.00 0.00 54.13 55.07 1oqd s LEU 6 Cb -0.00 0.20 -0.02 0.00 -0.43 0.00 0.00 46.19 45.94 1oqd s LEU 6 CO -0.00 -0.16 -0.25 -1.58 -0.29 0.00 0.00 176.35 174.06 1oqd s GLN 7 N 1.36 2.31 0.11 1.98 0.74 -0.30 -2.20 119.66 123.66 1oqd s GLN 7 Ca -0.07 -0.92 0.08 0.00 0.05 0.00 0.00 55.36 54.51 1oqd s GLN 7 Cb -0.12 -2.09 -0.04 0.00 1.10 0.00 0.00 33.01 31.86 1oqd s GLN 7 CO -0.05 0.48 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.52 1oqd s LEU 8 N -0.40 2.90 0.03 3.68 1.02 0.12 -0.63 118.68 125.40 1oqd s LEU 8 Ca 0.04 -0.45 0.04 0.00 0.02 0.00 0.00 54.13 53.78 1oqd s LEU 8 Cb -0.12 -1.71 -0.02 0.00 0.02 0.00 0.00 46.19 44.36 1oqd s LEU 8 CO 0.01 0.18 -0.12 -0.63 0.02 0.00 0.00 176.35 175.81 1oqd s ILE 9 N -1.18 0.96 0.37 -0.59 1.01 0.66 -1.83 121.20 120.61 1oqd s ILE 9 Ca 0.20 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.64 1oqd s ILE 9 Cb -0.11 -0.89 -0.11 0.00 0.01 0.00 0.00 42.46 41.36 1oqd s ILE 9 CO 0.12 -0.04 1.45 0.00 0.00 0.00 0.00 174.94 176.48 1oqd n ALA 10 N 1.95 2.19 -3.50 9.38 0.00 -0.97 -0.07 120.51 129.49 1oqd n ALA 10 Ca -0.18 0.34 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1oqd n ALA 10 Cb 0.55 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 1oqd n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1oqd s ASP 11 N -0.17 5.89 0.00 0.00 2.15 0.80 -4.08 116.67 121.26 1oqd s ASP 11 Ca 0.54 -2.16 0.04 0.00 0.43 0.00 0.00 52.55 51.40 1oqd s ASP 11 Cb -0.49 -2.05 0.21 0.00 -0.30 0.00 0.00 42.92 40.28 1oqd s ASP 11 CO 0.63 -0.66 1.00 -1.54 -0.17 0.00 0.00 175.17 174.44 1oqd n SER 12 N 4.61 0.00 -1.02 -0.34 3.41 -1.17 -2.58 113.62 116.53 1oqd n SER 12 Ca -0.03 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1oqd n SER 12 Cb 0.41 -0.33 0.26 0.00 -0.26 0.00 0.00 64.21 64.29 1oqd n SER 12 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oqd n GLU 13 N -1.33 2.32 -4.06 4.33 1.02 -1.26 -4.91 120.64 116.74 1oqd n GLU 13 Ca 0.02 -2.01 -0.12 0.00 -0.02 0.00 0.00 57.16 55.03 1oqd n GLU 13 Cb 0.04 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 29.87 1oqd n GLU 13 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1oqd s THR 14 N -1.50 0.50 0.64 2.62 -4.23 -1.06 -5.14 115.64 107.47 1oqd s THR 14 Ca 0.38 -1.17 -0.17 0.00 -1.18 0.00 0.00 61.69 59.54 1oqd s THR 14 Cb 0.21 -0.71 -0.01 0.00 1.34 0.00 0.00 72.50 73.34 1oqd s THR 14 CO 0.30 -0.46 1.23 -2.84 -0.54 0.00 0.00 174.62 172.30 1oqd s PRO 15 N -1.87 2.65 0.28 3.99 0.02 -1.26 -4.87 135.00 133.94 1oqd s PRO 15 Ca -0.08 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.50 1oqd s PRO 15 Cb -0.08 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1oqd s PRO 15 CO -0.01 -1.47 1.28 0.95 -0.33 0.00 0.00 177.00 177.43 1oqd s THR 16 N -1.67 2.98 0.01 0.99 -4.23 -1.26 -4.68 115.64 107.77 1oqd s THR 16 Ca 0.78 0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 61.91 1oqd s THR 16 Cb -0.32 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 1oqd s THR 16 CO 0.38 0.19 1.11 -0.63 -0.54 0.00 0.00 174.62 175.13 1oqd s ILE 17 N -0.74 4.41 -0.13 2.99 1.01 -0.44 -4.88 121.20 123.42 1oqd s ILE 17 Ca 0.51 1.73 -0.05 0.00 0.00 0.00 0.00 60.65 62.83 1oqd s ILE 17 Cb -0.38 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 1oqd s ILE 17 CO 0.46 0.10 0.06 -1.58 0.00 0.00 0.00 174.94 173.98 1oqd s GLN 18 N 1.32 3.47 -0.29 2.79 2.00 -1.26 -0.44 119.66 127.25 1oqd s GLN 18 Ca 0.55 -0.31 -0.21 0.00 -2.00 0.00 0.00 55.36 53.39 1oqd s GLN 18 Cb -0.25 -3.05 0.17 0.00 0.80 0.00 0.00 33.01 30.68 1oqd s GLN 18 CO 0.27 0.56 1.20 0.21 -0.50 0.00 0.00 175.29 177.03 1oqd s LYS 19 N -0.46 0.24 -1.28 1.67 2.20 -0.76 -4.96 119.74 116.40 1oqd s LYS 19 Ca 0.10 0.33 -0.09 0.00 -0.36 0.00 0.00 55.97 55.95 1oqd s LYS 19 Cb -0.12 0.09 0.07 0.00 -1.51 0.00 0.00 37.83 36.36 1oqd s LYS 19 CO 0.02 -0.04 0.48 0.41 -0.36 0.00 0.00 175.35 175.86 1oqd n GLY 20 N 2.49 -0.48 2.42 5.54 0.00 -1.26 0.18 105.19 114.08 1oqd n GLY 20 Ca -0.14 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 1oqd n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqd n SER 21 N -2.28 -5.48 -4.38 1.61 3.41 -1.26 -5.00 113.62 100.25 1oqd n SER 21 Ca -0.02 0.13 -0.26 0.00 -0.26 0.00 0.00 58.87 58.46 1oqd n SER 21 Cb 0.54 -4.57 -0.12 0.00 -0.26 0.00 0.00 64.21 59.80 1oqd n SER 21 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1oqd s TYR 22 N -2.89 2.16 -0.15 7.33 1.51 0.13 -3.55 117.35 121.88 1oqd s TYR 22 Ca 0.00 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.64 1oqd s TYR 22 Cb 0.00 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1oqd s TYR 22 CO 0.00 0.38 -0.07 0.99 -1.11 0.00 0.00 175.55 175.74 1oqd s THR 23 N -1.42 3.61 -0.13 -0.71 2.01 0.57 -1.82 115.64 117.74 1oqd s THR 23 Ca 0.15 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1oqd s THR 23 Cb -0.09 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1oqd s THR 23 CO 0.07 0.50 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.99 1oqd s PHE 24 N 0.41 2.77 0.25 4.92 0.40 0.42 -1.54 117.98 125.61 1oqd s PHE 24 Ca -0.06 -0.76 -0.30 0.00 -0.60 0.00 0.00 56.93 55.21 1oqd s PHE 24 Cb -0.15 -1.84 -0.10 0.00 0.51 0.00 0.00 43.02 41.45 1oqd s PHE 24 CO 0.04 -0.28 1.34 0.08 0.70 0.00 0.00 175.22 177.09 1oqd s VAL 25 N 0.43 2.94 -0.51 -0.44 1.01 -1.26 -1.33 120.40 121.24 1oqd s VAL 25 Ca -0.11 0.82 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 1oqd s VAL 25 Cb -0.16 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1oqd s VAL 25 CO 0.05 0.15 1.11 -2.84 0.00 0.00 0.00 175.10 173.57 1oqd s PRO 26 N -0.66 3.62 0.43 2.72 0.02 -1.26 -4.87 135.00 135.00 1oqd s PRO 26 Ca 0.55 0.38 -0.07 0.00 0.02 0.00 0.00 61.00 61.88 1oqd s PRO 26 Cb -0.39 -3.95 -0.05 0.00 0.02 0.00 0.00 34.50 30.14 1oqd s PRO 26 CO 0.43 -1.44 0.75 -1.58 -0.33 0.00 0.00 177.00 174.83 1oqd s TRP 27 N 4.46 3.52 -0.00 6.54 0.52 -1.26 -0.14 118.94 132.58 1oqd s TRP 27 Ca 0.44 0.87 0.01 0.00 0.02 0.00 0.00 56.10 57.44 1oqd s TRP 27 Cb -0.08 -2.32 -0.00 0.00 -1.15 0.00 0.00 33.47 29.92 1oqd s TRP 27 CO 0.29 -0.16 -0.03 -1.17 0.02 0.00 0.00 176.95 175.90 1oqd s LEU 28 N -4.28 2.00 0.11 2.99 2.96 0.90 -4.71 118.68 118.64 1oqd s LEU 28 Ca 0.48 -0.05 -0.31 0.00 -0.22 0.00 0.00 54.13 54.03 1oqd s LEU 28 Cb -0.10 -0.16 -0.09 0.00 0.50 0.00 0.00 46.19 46.34 1oqd s LEU 28 CO 0.38 0.04 1.59 -0.22 -1.32 0.00 0.00 176.35 176.82 1oqd s LEU 29 N -0.06 4.37 -0.16 -0.68 2.96 -1.26 -0.25 118.68 123.60 1oqd s LEU 29 Ca 0.01 2.51 -0.13 0.00 -0.22 0.00 0.00 54.13 56.31 1oqd s LEU 29 Cb -0.01 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.02 1oqd s LEU 29 CO -0.00 -0.84 -0.00 -1.28 -1.32 0.00 0.00 176.35 172.91 1oqd h SER 30 N 7.61 0.00 -4.55 3.68 0.87 -1.18 -3.45 113.55 116.53 1oqd h SER 30 Ca -0.42 -0.19 0.05 0.00 -1.23 0.00 0.00 61.79 59.99 1oqd h SER 30 Cb 1.20 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.97 1oqd h SER 30 CO 0.92 0.95 0.42 0.72 -0.53 0.00 0.00 176.83 179.30 1oqd s PHE 31 N -2.20 -0.45 -0.03 2.24 -0.12 -1.06 -5.00 117.98 111.38 1oqd s PHE 31 Ca -0.17 0.60 0.02 0.00 -0.05 0.00 0.00 56.93 57.32 1oqd s PHE 31 Cb 0.03 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1oqd s PHE 31 CO 0.32 -0.51 -0.06 0.21 -0.05 0.00 0.00 175.22 175.13 1oqd s LYS 32 N -1.95 0.77 -0.07 1.99 2.20 -1.26 -1.14 119.74 120.27 1oqd s LYS 32 Ca -0.02 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1oqd s LYS 32 Cb -0.01 -0.75 0.04 0.00 -1.51 0.00 0.00 37.83 35.60 1oqd s LYS 32 CO -0.01 0.04 0.05 0.50 -0.36 0.00 0.00 175.35 175.57 1oqd s ARG 33 N 0.39 0.10 0.14 4.03 3.52 -0.03 -5.01 118.95 122.08 1oqd s ARG 33 Ca -0.05 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1oqd s ARG 33 Cb -0.09 -0.87 0.00 0.00 -1.56 0.00 0.00 34.95 32.43 1oqd s ARG 33 CO 0.00 -0.39 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 1oqd n GLY 34 N 5.26 -1.80 0.00 8.12 0.00 -1.26 -1.31 105.19 114.20 1oqd n GLY 34 Ca -0.05 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1oqd n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oqd n SER 35 N 0.04 2.28 0.30 1.61 3.41 -1.26 -4.77 113.62 115.23 1oqd n SER 35 Ca 0.00 -0.24 0.18 0.00 -0.26 0.00 0.00 58.87 58.55 1oqd n SER 35 Cb 0.00 0.94 0.96 0.00 -0.26 0.00 0.00 64.21 65.85 1oqd n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqd h ALA 36 N 0.00 1.18 -3.94 7.33 0.00 -1.92 -3.42 119.26 118.48 1oqd h ALA 36 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 54.91 54.49 1oqd h ALA 36 Cb 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.49 1oqd h ALA 36 CO 0.00 0.04 -0.78 -0.51 0.00 0.00 0.00 179.25 178.00 1oqd s LEU 37 N -6.76 1.92 0.11 0.00 1.43 -1.26 -0.25 118.68 113.88 1oqd s LEU 37 Ca -0.04 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1oqd s LEU 37 Cb 0.13 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1oqd s LEU 37 CO 0.50 0.09 -0.08 -1.61 0.23 0.00 0.00 176.35 175.47 1oqd s GLU 38 N -0.05 0.89 -0.09 1.70 2.02 -0.09 -4.88 118.70 118.21 1oqd s GLU 38 Ca 0.01 -1.31 -0.14 0.00 0.02 0.00 0.00 54.97 53.55 1oqd s GLU 38 Cb -0.05 -0.40 -0.05 0.00 0.10 0.00 0.00 34.13 33.73 1oqd s GLU 38 CO -0.00 0.03 0.33 -1.83 0.02 0.00 0.00 175.26 173.81 1oqd s GLU 39 N -3.50 4.01 -0.13 1.61 -1.05 -1.26 0.49 118.70 118.87 1oqd s GLU 39 Ca 0.11 0.22 -0.05 0.00 -0.15 0.00 0.00 54.97 55.10 1oqd s GLU 39 Cb 0.02 -3.31 0.06 0.00 -0.44 0.00 0.00 34.13 30.46 1oqd s GLU 39 CO -0.02 0.49 0.26 0.21 0.95 0.00 0.00 175.26 177.15 1oqd s LYS 40 N -0.34 0.15 -1.45 -4.83 2.20 0.12 -4.85 119.74 110.73 1oqd s LYS 40 Ca 0.20 0.72 -0.09 0.00 -0.36 0.00 0.00 55.97 56.43 1oqd s LYS 40 Cb -0.14 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.14 1oqd s LYS 40 CO 0.08 -0.27 0.18 0.39 -0.36 0.00 0.00 175.35 175.37 1oqd n GLU 41 N 5.20 -0.74 -1.36 4.03 1.02 -1.26 0.30 120.64 127.83 1oqd n GLU 41 Ca -0.09 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1oqd n GLU 41 Cb 0.50 -3.25 -0.05 0.00 -0.02 0.00 0.00 31.44 28.62 1oqd n GLU 41 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1oqd n ASN 42 N -2.66 -4.45 -4.28 1.62 4.05 -1.26 -5.00 115.26 103.28 1oqd n ASN 42 Ca -0.27 0.30 -0.15 0.00 0.45 0.00 0.00 54.58 54.91 1oqd n ASN 42 Cb 0.66 -3.02 -0.10 0.00 1.23 0.00 0.00 39.78 38.54 1oqd n ASN 42 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1oqd s LYS 43 N -3.04 1.29 -0.27 1.20 1.02 0.15 -4.87 119.74 115.22 1oqd s LYS 43 Ca 0.00 -1.67 -0.10 0.00 0.02 0.00 0.00 55.97 54.21 1oqd s LYS 43 Cb 0.00 -0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.02 1oqd s LYS 43 CO 0.00 -0.24 0.16 0.42 -0.92 0.00 0.00 175.35 174.77 1oqd s ILE 44 N -3.73 5.06 -0.16 2.17 1.01 -0.36 0.10 121.20 125.30 1oqd s ILE 44 Ca 0.33 0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.91 1oqd s ILE 44 Cb 0.07 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 1oqd s ILE 44 CO 0.10 0.26 0.30 -0.22 0.00 0.00 0.00 174.94 175.39 1oqd s LEU 45 N 1.72 4.25 -0.14 2.97 2.96 0.18 -0.08 118.68 130.54 1oqd s LEU 45 Ca 0.07 0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 54.30 1oqd s LEU 45 Cb -0.16 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 1oqd s LEU 45 CO 0.09 0.10 0.59 -0.69 -1.32 0.00 0.00 176.35 175.12 1oqd s VAL 46 N 0.46 5.09 -0.57 1.68 1.01 -0.33 -0.91 120.40 126.84 1oqd s VAL 46 Ca 0.17 1.16 0.12 0.00 0.00 0.00 0.00 61.98 63.43 1oqd s VAL 46 Cb -0.13 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 1oqd s VAL 46 CO 0.04 0.22 0.51 0.29 0.00 0.00 0.00 175.10 176.17 1oqd n LYS 47 N 4.24 2.97 -3.77 2.72 4.76 0.65 -0.82 118.16 128.91 1oqd n LYS 47 Ca -0.03 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.25 1oqd n LYS 47 Cb 0.51 -1.07 -0.16 0.00 -1.84 0.00 0.00 35.03 32.46 1oqd n LYS 47 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1oqd s GLU 48 N -2.15 -0.03 0.47 1.97 2.02 -1.23 -4.77 118.70 114.97 1oqd s GLU 48 Ca 0.04 0.19 -0.20 0.00 0.02 0.00 0.00 54.97 55.02 1oqd s GLU 48 Cb 0.09 -0.27 -0.09 0.00 0.10 0.00 0.00 34.13 33.96 1oqd s GLU 48 CO 0.50 -0.17 1.01 0.95 0.02 0.00 0.00 175.26 177.56 1oqd s THR 49 N 1.10 4.01 -3.82 3.63 -4.23 -1.26 -4.54 115.64 110.54 1oqd s THR 49 Ca -0.09 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1oqd s THR 49 Cb -0.13 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1oqd s THR 49 CO -0.03 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1oqd n GLY 50 N -0.40 -0.83 3.64 3.99 0.00 -0.63 -4.95 105.19 106.01 1oqd n GLY 50 Ca 0.08 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1oqd n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oqd s TYR 51 N -3.00 3.28 0.09 1.61 1.51 -1.26 -1.55 117.35 118.04 1oqd s TYR 51 Ca 0.00 0.12 0.09 0.00 -1.01 0.00 0.00 57.07 56.27 1oqd s TYR 51 Cb 0.00 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 1oqd s TYR 51 CO 0.00 0.10 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.24 1oqd s PHE 52 N 0.71 2.05 -0.27 2.71 0.40 -0.39 -0.47 117.98 122.73 1oqd s PHE 52 Ca 0.06 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 1oqd s PHE 52 Cb -0.13 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.20 1oqd s PHE 52 CO 0.02 0.21 0.28 0.12 0.70 0.00 0.00 175.22 176.55 1oqd s PHE 53 N -1.00 3.25 -0.04 0.36 5.36 0.11 -1.32 117.98 124.71 1oqd s PHE 53 Ca 0.10 0.29 0.05 0.00 -0.96 0.00 0.00 56.93 56.42 1oqd s PHE 53 Cb -0.10 -2.46 -0.02 0.00 -0.34 0.00 0.00 43.02 40.10 1oqd s PHE 53 CO 0.04 -0.16 -0.19 0.42 -1.46 0.00 0.00 175.22 173.87 1oqd s ILE 54 N 1.80 2.61 0.06 3.12 1.01 0.14 -0.07 121.20 129.87 1oqd s ILE 54 Ca 0.11 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1oqd s ILE 54 Cb -0.16 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1oqd s ILE 54 CO 0.10 0.59 0.20 -0.72 0.00 0.00 0.00 174.94 175.10 1oqd s TYR 55 N -0.65 0.08 -0.11 3.97 -0.85 0.28 -1.32 117.35 118.76 1oqd s TYR 55 Ca 0.10 -0.40 -0.30 0.00 -0.52 0.00 0.00 57.07 55.95 1oqd s TYR 55 Cb -0.11 -0.03 0.10 0.00 0.38 0.00 0.00 41.96 42.30 1oqd s TYR 55 CO 0.00 -0.49 0.84 0.20 -1.52 0.00 0.00 175.55 174.58 1oqd s GLY 56 N -2.44 -0.42 -0.02 5.49 0.00 -0.95 -0.37 107.32 108.62 1oqd s GLY 56 Ca -0.01 1.69 -0.04 0.00 0.00 0.00 0.00 44.72 46.37 1oqd s GLY 56 CO -0.07 1.02 0.09 1.62 0.00 0.00 0.00 173.10 175.76 1oqd s GLN 57 N -1.10 0.24 -0.00 2.90 0.74 0.02 -2.13 119.66 120.32 1oqd s GLN 57 Ca -0.06 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.24 1oqd s GLN 57 Cb -0.00 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.21 1oqd s GLN 57 CO 0.06 -0.04 -0.01 0.08 -0.55 0.00 0.00 175.29 174.82 1oqd s VAL 58 N -0.54 0.14 -0.38 1.34 1.01 -1.09 -0.82 120.40 120.05 1oqd s VAL 58 Ca -0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1oqd s VAL 58 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.21 1oqd s VAL 58 CO 0.00 0.05 0.34 -0.22 0.00 0.00 0.00 175.10 175.27 1oqd s LEU 59 N 0.09 4.76 -0.14 3.92 0.20 -1.25 -1.41 118.68 124.84 1oqd s LEU 59 Ca -0.01 -0.58 -0.18 0.00 0.69 0.00 0.00 54.13 54.05 1oqd s LEU 59 Cb -0.02 -2.25 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 1oqd s LEU 59 CO -0.00 -0.41 0.50 -0.31 -0.29 0.00 0.00 176.35 175.84 1oqd s TYR 60 N 1.88 3.47 -0.18 5.38 1.51 0.10 -1.72 117.35 127.79 1oqd s TYR 60 Ca 0.09 0.86 0.15 0.00 -1.01 0.00 0.00 57.07 57.16 1oqd s TYR 60 Cb -0.18 -2.60 0.44 0.00 -0.11 0.00 0.00 41.96 39.52 1oqd s TYR 60 CO 0.11 0.08 1.19 0.25 -1.11 0.00 0.00 175.55 176.07 1oqd n THR 61 N 3.96 1.66 -4.64 -0.71 -2.24 -0.57 -1.53 114.28 110.22 1oqd n THR 61 Ca -0.06 -2.90 -0.33 0.00 -2.27 0.00 0.00 64.05 58.49 1oqd n THR 61 Cb 0.51 0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 1oqd n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oqd s ASP 62 N -3.09 4.49 -0.18 3.42 3.68 -1.08 -4.74 116.67 119.17 1oqd s ASP 62 Ca 0.39 -0.12 0.05 0.00 2.13 0.00 0.00 52.55 55.00 1oqd s ASP 62 Cb 0.38 -1.35 0.41 0.00 -1.45 0.00 0.00 42.92 40.92 1oqd s ASP 62 CO -0.07 0.28 1.32 2.29 0.13 0.00 0.00 175.17 179.12 1oqd n LYS 63 N 2.76 2.53 -0.62 4.34 2.85 -1.26 -4.72 118.16 124.03 1oqd n LYS 63 Ca -0.18 -1.69 -0.07 0.00 -1.05 0.00 0.00 58.31 55.32 1oqd n LYS 63 Cb 0.53 -1.80 -0.10 0.00 -0.65 0.00 0.00 35.03 33.01 1oqd n LYS 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1oqd n THR 64 N 0.03 1.92 0.00 0.58 -1.04 -1.26 -4.80 114.28 109.71 1oqd n THR 64 Ca 0.23 -0.90 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1oqd n THR 64 Cb 0.93 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1oqd n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oqd n TYR 65 N 2.48 0.00 -3.66 -1.42 0.18 -1.26 -4.49 117.16 108.99 1oqd n TYR 65 Ca 0.24 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.94 1oqd n TYR 65 Cb 0.58 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.45 1oqd n TYR 65 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1oqd s ALA 66 N 0.00 -1.29 0.27 -3.48 0.00 -1.26 -1.14 121.76 114.86 1oqd s ALA 66 Ca 0.00 1.65 0.07 0.00 0.00 0.00 0.00 51.96 53.68 1oqd s ALA 66 Cb 0.00 -1.34 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 1oqd s ALA 66 CO 0.00 -0.71 -0.08 -1.64 0.00 0.00 0.00 175.76 173.33 1oqd s MET 67 N 2.47 1.52 0.00 0.00 -1.94 -0.41 -4.95 119.30 115.99 1oqd s MET 67 Ca -0.04 -1.75 0.00 0.00 -1.71 0.00 0.00 55.69 52.19 1oqd s MET 67 Cb -0.11 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.54 1oqd s MET 67 CO -0.14 0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.36 1oqd n GLY 68 N -0.55 0.60 3.25 -0.03 0.00 -1.26 -0.41 105.19 106.79 1oqd n GLY 68 Ca -0.06 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1oqd n GLY 68 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1oqd s HIS 69 N -2.00 1.33 -0.02 1.61 -3.43 -1.11 -4.17 115.29 107.50 1oqd s HIS 69 Ca 0.00 -1.30 0.05 0.00 -0.80 0.00 0.00 55.06 53.00 1oqd s HIS 69 Cb 0.00 -0.70 -0.01 0.00 -1.43 0.00 0.00 32.58 30.44 1oqd s HIS 69 CO 0.00 -0.52 -0.16 -0.51 -2.00 0.00 0.00 174.74 171.55 1oqd s LEU 70 N -3.23 1.98 -0.33 5.38 1.43 0.31 -2.24 118.68 121.98 1oqd s LEU 70 Ca 0.38 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1oqd s LEU 70 Cb 0.07 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1oqd s LEU 70 CO 0.13 0.18 0.18 -0.63 0.23 0.00 0.00 176.35 176.44 1oqd s ILE 71 N -0.22 4.70 0.24 -0.59 1.01 0.03 -0.20 121.20 126.17 1oqd s ILE 71 Ca 0.03 -0.51 0.09 0.00 0.00 0.00 0.00 60.65 60.26 1oqd s ILE 71 Cb -0.08 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1oqd s ILE 71 CO 0.00 -0.03 -0.03 -1.10 0.00 0.00 0.00 174.94 173.79 1oqd s GLN 72 N 1.62 2.24 -0.09 2.79 -0.21 0.52 -1.19 119.66 125.33 1oqd s GLN 72 Ca 0.04 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.08 1oqd s GLN 72 Cb -0.18 -2.17 0.01 0.00 1.00 0.00 0.00 33.01 31.67 1oqd s GLN 72 CO 0.07 0.38 -0.19 0.50 -2.12 0.00 0.00 175.29 173.94 1oqd s ARG 73 N -3.44 2.48 -0.43 2.91 3.52 0.23 -1.73 118.95 122.49 1oqd s ARG 73 Ca 0.30 -0.68 -0.12 0.00 -0.13 0.00 0.00 55.73 55.10 1oqd s ARG 73 Cb -0.07 -1.94 0.07 0.00 -1.56 0.00 0.00 34.95 31.44 1oqd s ARG 73 CO 0.19 0.09 0.31 0.15 -0.81 0.00 0.00 175.30 175.23 1oqd s LYS 74 N 0.54 2.80 0.27 5.12 1.02 -0.12 -0.25 119.74 129.12 1oqd s LYS 74 Ca -0.16 -1.35 -0.30 0.00 0.02 0.00 0.00 55.97 54.19 1oqd s LYS 74 Cb -0.17 -3.93 -0.10 0.00 -0.52 0.00 0.00 37.83 33.12 1oqd s LYS 74 CO 0.06 -0.94 1.33 0.15 -0.92 0.00 0.00 175.35 175.03 1oqd s LYS 75 N 1.54 4.36 0.08 1.68 1.02 0.70 -2.42 119.74 126.70 1oqd s LYS 75 Ca 0.03 2.17 -0.10 0.00 0.02 0.00 0.00 55.97 58.09 1oqd s LYS 75 Cb -0.23 -3.12 -0.23 0.00 -0.52 0.00 0.00 37.83 33.73 1oqd s LYS 75 CO 0.05 -0.25 1.17 0.28 -0.92 0.00 0.00 175.35 175.68 1oqd h VAL 76 N 3.39 1.34 -3.34 3.17 2.07 -1.87 -3.44 116.25 117.57 1oqd h VAL 76 Ca -0.47 -2.52 -0.64 0.00 0.82 0.00 0.00 66.70 63.89 1oqd h VAL 76 Cb 1.22 2.62 -0.22 0.00 -1.52 0.00 0.00 31.29 33.39 1oqd h VAL 76 CO 0.72 0.76 -0.68 -1.00 0.02 0.00 0.00 177.57 177.39 1oqd s HIS 77 N -3.05 3.00 0.02 1.57 3.76 -1.26 -5.07 115.29 114.26 1oqd s HIS 77 Ca -0.08 -0.29 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 1oqd s HIS 77 Cb 0.07 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 1oqd s HIS 77 CO 0.91 -0.00 -0.15 0.08 -0.85 0.00 0.00 174.74 174.73 1oqd s VAL 78 N 0.21 1.18 0.03 -0.90 1.01 -1.26 -5.03 120.40 115.65 1oqd s VAL 78 Ca -0.03 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1oqd s VAL 78 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1oqd s VAL 78 CO 0.03 0.13 -0.19 -0.36 0.00 0.00 0.00 175.10 174.71 1oqd s PHE 79 N -0.68 1.65 0.00 5.22 0.40 -1.26 -5.01 117.98 118.29 1oqd s PHE 79 Ca 0.03 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1oqd s PHE 79 Cb -0.07 -0.99 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1oqd s PHE 79 CO 0.01 0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.40 1oqd n GLY 80 N 1.98 2.83 1.80 4.36 0.00 -1.26 -1.05 105.19 113.85 1oqd n GLY 80 Ca -0.17 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1oqd n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oqd n ASP 81 N 3.53 5.07 -4.74 1.61 5.75 -1.26 -4.98 116.55 121.52 1oqd n ASP 81 Ca 0.00 -2.91 -0.36 0.00 -0.01 0.00 0.00 54.79 51.51 1oqd n ASP 81 Cb 0.00 -0.69 0.06 0.00 -1.03 0.00 0.00 41.12 39.46 1oqd n ASP 81 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1oqd s GLU 82 N -2.63 2.65 -0.08 0.11 2.02 -0.21 -4.98 118.70 115.57 1oqd s GLU 82 Ca 0.49 1.84 -0.19 0.00 0.02 0.00 0.00 54.97 57.13 1oqd s GLU 82 Cb 0.38 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 1oqd s GLU 82 CO 0.14 -1.46 0.52 -0.51 0.02 0.00 0.00 175.26 173.97 1oqd s LEU 83 N -4.46 4.32 0.00 1.80 1.02 -1.26 -4.81 118.68 115.29 1oqd s LEU 83 Ca 0.77 0.93 0.28 0.00 0.02 0.00 0.00 54.13 56.14 1oqd s LEU 83 Cb -0.31 -2.77 1.33 0.00 0.02 0.00 0.00 46.19 44.45 1oqd s LEU 83 CO 0.38 0.03 1.95 -1.54 0.02 0.00 0.00 176.35 177.19 1oqd n SER 84 N 3.38 0.00 -4.21 2.29 3.41 -1.26 -4.60 113.62 112.64 1oqd n SER 84 Ca -0.07 0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.40 1oqd n SER 84 Cb 0.52 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 63.92 1oqd n SER 84 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1oqd s LEU 85 N -2.79 3.01 -0.11 1.04 1.98 -1.26 -0.21 118.68 120.33 1oqd s LEU 85 Ca 0.20 -0.77 0.03 0.00 -2.89 0.00 0.00 54.13 50.70 1oqd s LEU 85 Cb 0.19 -1.65 -0.00 0.00 0.66 0.00 0.00 46.19 45.38 1oqd s LEU 85 CO 0.48 -0.09 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.95 1oqd s VAL 86 N 1.34 2.38 -0.41 1.68 1.01 0.66 -4.95 120.40 122.10 1oqd s VAL 86 Ca 0.02 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1oqd s VAL 86 Cb -0.16 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1oqd s VAL 86 CO -0.05 0.55 0.48 0.28 0.00 0.00 0.00 175.10 176.35 1oqd s THR 87 N 0.34 5.04 -0.03 3.92 -1.32 -1.26 0.78 115.64 123.10 1oqd s THR 87 Ca -0.16 -0.18 -0.21 0.00 -1.21 0.00 0.00 61.69 59.93 1oqd s THR 87 Cb -0.17 -4.05 -0.15 0.00 -1.51 0.00 0.00 72.50 66.62 1oqd s THR 87 CO 0.08 -0.42 0.93 -0.07 -2.21 0.00 0.00 174.62 172.93 1oqd h LEU 88 N 9.16 -0.27 -7.97 9.08 4.07 -1.50 -3.47 115.31 124.42 1oqd h LEU 88 Ca -0.27 -0.26 -0.25 0.00 0.08 0.00 0.00 57.88 57.19 1oqd h LEU 88 Cb 1.11 0.07 -0.24 0.00 1.08 0.00 0.00 40.66 42.68 1oqd h LEU 88 CO 0.81 0.22 -0.73 -0.36 -1.08 0.00 0.00 178.44 177.30 1oqd s PHE 89 N -3.71 0.37 -0.05 1.13 0.40 -1.18 -5.01 117.98 109.93 1oqd s PHE 89 Ca -0.12 -0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 55.74 1oqd s PHE 89 Cb 0.01 -0.24 0.03 0.00 0.51 0.00 0.00 43.02 43.33 1oqd s PHE 89 CO 0.46 -0.08 0.34 -0.98 0.70 0.00 0.00 175.22 175.66 1oqd s ARG 90 N -0.90 0.61 0.15 0.44 1.70 -1.26 -0.79 118.95 118.90 1oqd s ARG 90 Ca -0.07 0.04 0.01 0.00 -0.47 0.00 0.00 55.73 55.24 1oqd s ARG 90 Cb -0.06 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1oqd s ARG 90 CO -0.00 -0.15 -0.00 0.00 -1.08 0.00 0.00 175.30 174.06 1oqd s ILE 92 N -3.71 0.16 -0.06 0.00 1.01 -1.26 -2.74 121.20 114.60 1oqd s ILE 92 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1oqd s ILE 92 Cb 0.06 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.37 1oqd s ILE 92 CO 0.02 -0.10 -0.04 -1.10 0.00 0.00 0.00 174.94 173.72 1oqd s GLN 93 N -0.44 0.87 0.39 2.79 -1.52 0.45 -4.98 119.66 117.21 1oqd s GLN 93 Ca -0.03 -0.06 -0.26 0.00 -1.95 0.00 0.00 55.36 53.05 1oqd s GLN 93 Cb -0.03 -1.00 -0.09 0.00 -0.22 0.00 0.00 33.01 31.68 1oqd s GLN 93 CO -0.00 -0.17 1.19 -0.80 -0.25 0.00 0.00 175.29 175.25 1oqd s ASN 94 N 1.36 6.57 0.10 5.90 0.01 -1.26 -1.28 114.94 126.34 1oqd s ASN 94 Ca -0.04 2.41 0.05 0.00 -0.71 0.00 0.00 52.86 54.57 1oqd s ASN 94 Cb -0.13 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 1oqd s ASN 94 CO -0.03 -0.64 -0.02 -0.04 -1.51 0.00 0.00 177.10 174.86 1oqd s MET 95 N -2.18 2.45 0.75 -0.60 -1.94 -0.29 -4.90 119.30 112.59 1oqd s MET 95 Ca 0.55 -0.89 -0.07 0.00 -1.71 0.00 0.00 55.69 53.57 1oqd s MET 95 Cb -0.32 -2.48 0.10 0.00 2.01 0.00 0.00 34.83 34.14 1oqd s MET 95 CO 0.41 0.53 1.06 -2.14 -0.01 0.00 0.00 175.02 174.87 1oqd s PRO 96 N -2.33 1.80 -0.05 2.03 0.02 -1.26 -4.38 135.00 130.82 1oqd s PRO 96 Ca 0.25 -0.47 0.00 0.00 0.02 0.00 0.00 61.00 60.80 1oqd s PRO 96 Cb -0.11 -2.15 -0.26 0.00 0.02 0.00 0.00 34.50 32.00 1oqd s PRO 96 CO 0.17 -1.50 0.64 1.49 -0.33 0.00 0.00 177.00 177.47 1oqd h GLU 97 N -0.77 0.18 0.00 5.54 4.57 -1.98 -3.42 114.58 118.70 1oqd h GLU 97 Ca -0.43 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 57.44 1oqd h GLU 97 Cb 1.29 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 1oqd h GLU 97 CO 0.52 0.97 0.00 0.25 -1.18 0.00 0.00 179.01 179.56 1oqd n THR 98 N -3.34 0.00 -3.52 0.32 -2.24 -1.26 -4.75 114.28 99.49 1oqd n THR 98 Ca -0.22 0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 1oqd n THR 98 Cb 1.05 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.62 1oqd n THR 98 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oqd s LEU 99 N 0.00 5.87 -0.27 3.22 1.43 -1.26 -5.03 118.68 122.64 1oqd s LEU 99 Ca 0.00 -3.63 -0.38 0.00 -1.03 0.00 0.00 54.13 49.09 1oqd s LEU 99 Cb 0.00 -2.03 -0.14 0.00 0.03 0.00 0.00 46.19 44.05 1oqd s LEU 99 CO 0.00 -0.24 1.89 -2.65 0.23 0.00 0.00 176.35 175.58 1oqd n PRO 100 N 2.54 1.29 -2.76 1.29 -0.02 -1.26 -4.89 135.00 131.19 1oqd n PRO 100 Ca 0.22 0.45 -0.06 0.00 -2.02 0.00 0.00 63.50 62.09 1oqd n PRO 100 Cb 0.38 -2.27 0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1oqd n PRO 100 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1oqd n ASN 101 N 6.70 -3.25 -3.97 2.55 3.02 -1.19 -4.19 115.26 114.93 1oqd n ASN 101 Ca 0.30 -3.07 -0.28 0.00 -0.03 0.00 0.00 54.58 51.49 1oqd n ASN 101 Cb 0.18 1.79 -0.17 0.00 -0.61 0.00 0.00 39.78 40.97 1oqd n ASN 101 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1oqd s ASN 102 N -0.14 2.41 -0.07 6.41 0.01 -0.58 -4.96 114.94 118.02 1oqd s ASN 102 Ca 0.31 -0.39 -0.03 0.00 -0.71 0.00 0.00 52.86 52.03 1oqd s ASN 102 Cb 0.09 -1.01 -0.04 0.00 0.41 0.00 0.00 41.25 40.71 1oqd s ASN 102 CO -0.13 -0.08 0.09 -0.94 -1.51 0.00 0.00 177.10 174.53 1oqd s SER 103 N 1.55 5.87 -0.09 -1.22 1.04 -1.26 0.01 113.70 119.60 1oqd s SER 103 Ca 0.04 0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.78 1oqd s SER 103 Cb -0.13 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.22 1oqd s SER 103 CO -0.09 0.35 -0.17 0.00 0.98 0.00 0.00 173.24 174.32 1oqd s TYR 105 N 0.69 2.92 -0.22 0.00 5.04 -1.26 -2.69 117.35 121.82 1oqd s TYR 105 Ca -0.13 -0.03 -0.23 0.00 -2.44 0.00 0.00 57.07 54.24 1oqd s TYR 105 Cb -0.16 -1.59 0.06 0.00 0.35 0.00 0.00 41.96 40.62 1oqd s TYR 105 CO 0.03 0.41 0.65 0.45 -1.34 0.00 0.00 175.55 175.74 1oqd s SER 106 N -1.63 -0.67 0.16 4.32 0.15 -0.91 -5.02 113.70 110.11 1oqd s SER 106 Ca 0.19 1.23 -0.13 0.00 0.70 0.00 0.00 55.95 57.94 1oqd s SER 106 Cb -0.11 1.23 0.01 0.00 -1.71 0.00 0.00 66.02 65.44 1oqd s SER 106 CO 0.10 -0.27 0.38 0.00 1.20 0.00 0.00 173.24 174.65 1oqd s ALA 107 N 0.17 -0.47 0.08 5.45 0.00 -1.26 -2.23 121.76 123.49 1oqd s ALA 107 Ca -0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 51.96 51.17 1oqd s ALA 107 Cb -0.04 0.80 0.09 0.00 0.00 0.00 0.00 23.12 23.97 1oqd s ALA 107 CO 0.02 -0.69 1.16 0.20 0.00 0.00 0.00 175.76 176.45 1oqd s GLY 108 N -2.90 -0.03 -0.07 0.00 0.00 -0.43 -5.00 107.32 98.88 1oqd s GLY 108 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1oqd s GLY 108 CO -0.03 3.64 -0.05 -0.42 0.00 0.00 0.00 173.10 176.23 1oqd s ILE 109 N -2.14 3.82 0.05 0.90 1.01 -1.26 -0.68 121.20 122.89 1oqd s ILE 109 Ca 0.24 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1oqd s ILE 109 Cb -0.01 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1oqd s ILE 109 CO 0.02 0.60 0.14 0.00 0.00 0.00 0.00 174.94 175.70 1oqd s ALA 110 N -0.83 -0.16 -0.22 9.38 0.00 -0.43 -4.99 121.76 124.52 1oqd s ALA 110 Ca 0.13 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.42 1oqd s ALA 110 Cb -0.11 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1oqd s ALA 110 CO 0.02 -0.37 0.34 0.21 0.00 0.00 0.00 175.76 175.95 1oqd s LYS 111 N -2.93 4.13 0.24 0.00 2.47 -1.26 -1.26 119.74 121.13 1oqd s LYS 111 Ca -0.02 0.08 0.08 0.00 -1.56 0.00 0.00 55.97 54.55 1oqd s LYS 111 Cb 0.01 -3.55 -0.05 0.00 -1.46 0.00 0.00 37.83 32.78 1oqd s LYS 111 CO -0.06 -0.04 -0.12 -0.51 0.16 0.00 0.00 175.35 174.78 1oqd s LEU 112 N 1.32 2.54 0.17 5.43 1.43 -0.59 -5.00 118.68 123.98 1oqd s LEU 112 Ca 0.16 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1oqd s LEU 112 Cb -0.15 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1oqd s LEU 112 CO 0.07 -0.20 -0.12 -1.61 0.23 0.00 0.00 176.35 174.73 1oqd s GLU 113 N -3.65 1.17 0.09 1.70 2.02 -1.26 -1.60 118.70 117.17 1oqd s GLU 113 Ca 0.26 -1.50 -0.36 0.00 0.02 0.00 0.00 54.97 53.39 1oqd s GLU 113 Cb 0.00 -0.85 -0.17 0.00 0.10 0.00 0.00 34.13 33.21 1oqd s GLU 113 CO 0.10 0.13 1.25 0.39 0.02 0.00 0.00 175.26 177.14 1oqd n GLU 114 N -0.23 0.97 0.00 1.61 1.02 -1.26 -0.58 120.64 122.17 1oqd n GLU 114 Ca -0.10 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1oqd n GLU 114 Cb 0.60 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1oqd n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oqd n GLY 115 N 2.26 3.38 3.75 0.62 0.00 0.00 -4.81 105.19 110.40 1oqd n GLY 115 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1oqd n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oqd s ASP 116 N -0.86 4.81 0.01 1.61 1.01 0.26 -4.53 116.67 118.97 1oqd s ASP 116 Ca 0.00 2.24 0.04 0.00 0.71 0.00 0.00 52.55 55.54 1oqd s ASP 116 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1oqd s ASP 116 CO 0.00 -1.84 -0.13 -1.61 0.21 0.00 0.00 175.17 171.80 1oqd s GLU 117 N -3.79 0.96 0.01 8.23 2.02 -1.01 -1.18 118.70 123.93 1oqd s GLU 117 Ca 0.73 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 55.21 1oqd s GLU 117 Cb -0.26 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.00 1oqd s GLU 117 CO 0.40 0.25 -0.05 -0.51 0.02 0.00 0.00 175.26 175.37 1oqd s LEU 118 N -0.56 3.28 0.00 1.80 1.43 0.89 -0.94 118.68 124.57 1oqd s LEU 118 Ca 0.03 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1oqd s LEU 118 Cb -0.06 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.28 1oqd s LEU 118 CO 0.00 0.27 0.26 0.00 0.23 0.00 0.00 176.35 177.11 1oqd s GLN 119 N -1.56 0.64 -0.27 1.70 -2.07 -0.70 -1.22 119.66 116.17 1oqd s GLN 119 Ca 0.19 -0.31 -0.06 0.00 -1.82 0.00 0.00 55.36 53.35 1oqd s GLN 119 Cb -0.11 0.28 -0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1oqd s GLN 119 CO 0.09 -0.18 0.06 -1.17 -1.32 0.00 0.00 175.29 172.78 1oqd s LEU 120 N -1.49 3.61 0.02 2.60 1.98 -1.26 -0.36 118.68 123.79 1oqd s LEU 120 Ca -0.12 -0.55 0.08 0.00 -2.89 0.00 0.00 54.13 50.64 1oqd s LEU 120 Cb -0.05 -1.87 -0.02 0.00 0.66 0.00 0.00 46.19 44.91 1oqd s LEU 120 CO 0.02 -0.13 -0.23 0.00 -1.89 0.00 0.00 176.35 174.12 1oqd s ALA 121 N 1.52 1.92 -0.28 5.97 0.00 0.72 -4.43 121.76 127.19 1oqd s ALA 121 Ca 0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1oqd s ALA 121 Cb -0.16 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1oqd s ALA 121 CO 0.02 0.45 0.01 0.42 0.00 0.00 0.00 175.76 176.66 1oqd s ILE 122 N -0.69 3.35 0.00 0.00 1.01 -0.59 0.12 121.20 124.39 1oqd s ILE 122 Ca 0.09 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1oqd s ILE 122 Cb -0.09 -2.75 -0.16 0.00 0.01 0.00 0.00 42.46 39.47 1oqd s ILE 122 CO 0.01 0.10 2.50 -2.65 0.00 0.00 0.00 174.94 174.89 1oqd n PRO 123 N 4.75 1.30 -4.22 2.79 -0.02 -1.26 -0.32 135.00 138.01 1oqd n PRO 123 Ca -0.15 -0.60 -0.17 0.00 -2.02 0.00 0.00 63.50 60.56 1oqd n PRO 123 Cb 0.47 -1.75 -0.15 0.00 -0.02 0.00 0.00 33.50 32.05 1oqd n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1oqd s ARG 124 N 1.46 0.56 0.19 -0.52 3.00 -1.26 -4.98 118.95 117.40 1oqd s ARG 124 Ca 0.40 -0.22 -0.24 0.00 0.00 0.00 0.00 55.73 55.68 1oqd s ARG 124 Cb 0.19 -0.54 0.09 0.00 0.00 0.00 0.00 34.95 34.68 1oqd s ARG 124 CO 0.00 0.11 1.55 0.93 0.00 0.00 0.00 175.30 177.90 1oqd h GLU 125 N 6.13 -0.06 -1.55 3.54 4.39 -1.88 -3.19 114.58 121.97 1oqd h GLU 125 Ca -0.30 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 58.96 1oqd h GLU 125 Cb 1.18 0.01 -0.34 0.00 -0.10 0.00 0.00 28.75 29.51 1oqd h GLU 125 CO 0.50 -0.04 -1.01 -1.71 -1.16 0.00 0.00 179.01 175.59 1oqd n ASN 126 N -5.38 -0.08 -4.58 1.42 5.15 -1.26 -4.56 115.26 105.97 1oqd n ASN 126 Ca 0.05 -3.07 -0.52 0.00 -0.60 0.00 0.00 54.58 50.45 1oqd n ASN 126 Cb 0.34 -0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.48 1oqd n ASN 126 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oqd n ALA 127 N 0.65 -1.19 -2.71 5.20 0.00 -1.24 -4.91 120.51 116.31 1oqd n ALA 127 Ca 0.20 0.51 -0.43 0.00 0.00 0.00 0.00 53.44 53.72 1oqd n ALA 127 Cb 0.63 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.02 1oqd n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oqd s GLN 128 N 0.18 3.24 0.12 0.00 -1.52 -1.26 -5.00 119.66 115.42 1oqd s GLN 128 Ca 0.82 -0.46 0.08 0.00 -1.95 0.00 0.00 55.36 53.85 1oqd s GLN 128 Cb -0.95 -4.12 -0.04 0.00 -0.22 0.00 0.00 33.01 27.68 1oqd s GLN 128 CO 0.49 -1.65 -0.20 0.42 -0.25 0.00 0.00 175.29 174.10 1oqd s ILE 129 N 4.13 1.73 0.12 1.08 1.09 -1.26 -1.51 121.20 126.58 1oqd s ILE 129 Ca 0.28 -1.64 -0.17 0.00 -1.10 0.00 0.00 60.65 58.02 1oqd s ILE 129 Cb -0.14 -1.63 -0.07 0.00 -1.06 0.00 0.00 42.46 39.57 1oqd s ILE 129 CO 0.16 -0.13 0.57 -0.55 -0.10 0.00 0.00 174.94 174.89 1oqd s SER 130 N -2.10 6.96 -0.29 3.58 0.15 -0.70 -4.89 113.70 116.40 1oqd s SER 130 Ca 0.09 1.19 0.09 0.00 0.70 0.00 0.00 55.95 58.02 1oqd s SER 130 Cb -0.09 -2.33 0.51 0.00 -1.71 0.00 0.00 66.02 62.39 1oqd s SER 130 CO 0.05 0.18 1.46 0.18 1.20 0.00 0.00 173.24 176.30 1oqd n LEU 131 N 1.23 4.08 -4.74 3.45 4.32 -1.26 -4.63 117.00 119.45 1oqd n LEU 131 Ca -0.08 -3.76 -0.40 0.00 -0.02 0.00 0.00 56.01 51.75 1oqd n LEU 131 Cb 0.51 -0.63 -0.05 0.00 -1.62 0.00 0.00 43.42 41.63 1oqd n LEU 131 CO 0.42 1.25 0.55 -1.81 -1.22 0.00 0.00 177.39 176.57 1oqd s ASP 132 N -2.54 7.33 0.22 -1.43 -0.00 -1.26 -3.05 116.67 115.93 1oqd s ASP 132 Ca 0.44 1.59 0.14 0.00 -0.00 0.00 0.00 52.55 54.72 1oqd s ASP 132 Cb 0.40 -2.52 0.76 0.00 -0.00 0.00 0.00 42.92 41.57 1oqd s ASP 132 CO -0.00 -0.02 1.42 0.61 -0.00 0.00 0.00 175.17 177.18 1oqd n GLY 133 N 2.33 -0.73 0.18 0.21 0.00 -1.26 -2.04 105.19 103.89 1oqd n GLY 133 Ca -0.01 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1oqd n GLY 133 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oqd n ASP 134 N -1.99 1.29 -0.02 1.61 5.75 -1.26 -4.47 116.55 117.46 1oqd n ASP 134 Ca -0.01 -1.09 -0.01 0.00 -0.01 0.00 0.00 54.79 53.67 1oqd n ASP 134 Cb 0.04 0.70 -0.05 0.00 -1.03 0.00 0.00 41.12 40.78 1oqd n ASP 134 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1oqd n VAL 135 N -0.96 0.32 -3.84 2.12 0.24 -0.86 -4.95 118.33 110.40 1oqd n VAL 135 Ca 0.06 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.83 1oqd n VAL 135 Cb 0.38 -0.52 -0.16 0.00 -1.47 0.00 0.00 33.84 32.07 1oqd n VAL 135 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1oqd s THR 136 N -2.24 1.00 0.18 3.34 -1.32 -1.06 -3.81 115.64 111.73 1oqd s THR 136 Ca -0.03 -0.84 -0.04 0.00 -1.21 0.00 0.00 61.69 59.57 1oqd s THR 136 Cb 0.03 -1.37 -0.03 0.00 -1.51 0.00 0.00 72.50 69.61 1oqd s THR 136 CO 0.27 -0.13 0.18 0.72 -2.21 0.00 0.00 174.62 173.45 1oqd s PHE 137 N 1.64 0.83 -0.10 9.09 -0.12 -0.00 -2.28 117.98 127.04 1oqd s PHE 137 Ca -0.03 -1.14 -0.08 0.00 -0.05 0.00 0.00 56.93 55.64 1oqd s PHE 137 Cb -0.18 -0.35 0.03 0.00 -0.63 0.00 0.00 43.02 41.90 1oqd s PHE 137 CO -0.07 -0.66 0.26 0.12 -0.05 0.00 0.00 175.22 174.81 1oqd s PHE 138 N -4.07 -0.31 0.17 3.49 5.36 -0.76 -0.80 117.98 121.06 1oqd s PHE 138 Ca 0.28 0.74 -0.24 0.00 -0.96 0.00 0.00 56.93 56.75 1oqd s PHE 138 Cb 0.05 0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.88 1oqd s PHE 138 CO 0.06 -0.17 0.75 0.20 -1.46 0.00 0.00 175.22 174.60 1oqd s GLY 139 N 0.55 -0.36 0.01 13.12 0.00 0.50 0.15 107.32 121.29 1oqd s GLY 139 Ca -0.03 0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.96 1oqd s GLY 139 CO -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 173.10 173.13 1oqd s ALA 140 N -3.62 0.18 -0.04 3.20 0.00 -0.93 -0.56 121.76 120.00 1oqd s ALA 140 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1oqd s ALA 140 Cb -0.03 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1oqd s ALA 140 CO -0.04 -0.05 -0.05 -1.17 0.00 0.00 0.00 175.76 174.45 1oqd s LEU 141 N -0.76 1.47 -0.01 0.00 0.20 0.90 -1.81 118.68 118.66 1oqd s LEU 141 Ca -0.07 -0.14 -0.26 0.00 0.69 0.00 0.00 54.13 54.35 1oqd s LEU 141 Cb -0.05 -0.46 -0.04 0.00 -0.43 0.00 0.00 46.19 45.21 1oqd s LEU 141 CO -0.00 -0.02 0.80 -0.75 -0.29 0.00 0.00 176.35 176.09 1oqd s LYS 142 N 0.71 4.50 0.27 1.98 2.20 0.27 0.10 119.74 129.76 1oqd s LYS 142 Ca -0.10 1.10 -0.15 0.00 -0.36 0.00 0.00 55.97 56.47 1oqd s LYS 142 Cb -0.13 -3.42 -0.08 0.00 -1.51 0.00 0.00 37.83 32.69 1oqd s LYS 142 CO 0.00 0.11 0.68 -0.51 -0.36 0.00 0.00 175.35 175.28 1oqd s LEU 143 N 0.55 4.15 0.00 5.43 1.43 0.38 -4.40 118.68 126.23 1oqd s LEU 143 Ca 0.42 1.21 0.29 0.00 -1.03 0.00 0.00 54.13 55.02 1oqd s LEU 143 Cb -0.20 -3.85 1.73 0.00 0.03 0.00 0.00 46.19 43.91 1oqd s LEU 143 CO 0.23 -0.11 2.07 0.18 0.23 0.00 0.00 176.35 178.94