#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 0.96 -0.35 2.52 -4.23 -1.26 -5.13 115.64 108.16 1oqd s THR 2 Ca 0.00 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.42 1oqd s THR 2 Cb 0.00 -2.34 0.04 0.00 1.34 0.00 0.00 72.50 71.55 1oqd s THR 2 CO 0.00 -0.32 0.12 -1.10 -0.54 0.00 0.00 174.62 172.78 1oqd s GLN 3 N -3.88 2.61 0.52 3.99 -0.21 -1.26 -4.96 119.66 116.46 1oqd s GLN 3 Ca 0.28 -1.21 -0.21 0.00 0.02 0.00 0.00 55.36 54.24 1oqd s GLN 3 Cb 0.06 -3.49 -0.06 0.00 1.00 0.00 0.00 33.01 30.52 1oqd s GLN 3 CO 0.08 -0.70 1.21 -0.51 -2.12 0.00 0.00 175.29 173.26 1oqd s ASP 4 N 1.47 5.69 -0.00 5.90 1.11 -1.26 -4.79 116.67 124.78 1oqd s ASP 4 Ca -0.01 2.40 -0.29 0.00 0.18 0.00 0.00 52.55 54.84 1oqd s ASP 4 Cb -0.20 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.27 1oqd s ASP 4 CO 0.03 -1.26 0.71 0.00 1.18 0.00 0.00 175.17 175.83 1oqd s LEU 6 N -1.70 0.86 -0.04 0.00 0.20 -0.70 -0.80 118.68 116.50 1oqd s LEU 6 Ca -0.05 0.13 0.07 0.00 0.69 0.00 0.00 54.13 54.96 1oqd s LEU 6 Cb -0.00 0.06 -0.02 0.00 -0.43 0.00 0.00 46.19 45.80 1oqd s LEU 6 CO 0.01 -0.15 -0.25 -1.58 -0.29 0.00 0.00 176.35 174.10 1oqd s GLN 7 N 1.24 2.24 0.10 1.98 0.74 -0.18 -2.13 119.66 123.65 1oqd s GLN 7 Ca -0.08 -0.89 0.08 0.00 0.05 0.00 0.00 55.36 54.52 1oqd s GLN 7 Cb -0.12 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.91 1oqd s GLN 7 CO -0.04 0.47 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.52 1oqd s LEU 8 N -0.40 2.86 0.04 3.68 1.02 0.18 -0.62 118.68 125.44 1oqd s LEU 8 Ca 0.04 -0.45 0.05 0.00 0.02 0.00 0.00 54.13 53.79 1oqd s LEU 8 Cb -0.11 -1.68 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1oqd s LEU 8 CO 0.01 0.19 -0.14 -0.63 0.02 0.00 0.00 176.35 175.80 1oqd s ILE 9 N -1.14 1.11 0.38 -0.59 1.01 0.64 -1.63 121.20 120.98 1oqd s ILE 9 Ca 0.19 -0.97 -0.28 0.00 0.00 0.00 0.00 60.65 59.59 1oqd s ILE 9 Cb -0.11 -1.00 -0.11 0.00 0.01 0.00 0.00 42.46 41.25 1oqd s ILE 9 CO 0.11 0.02 1.43 0.00 0.00 0.00 0.00 174.94 176.50 1oqd n ALA 10 N 1.95 2.06 -3.50 9.38 0.00 -0.98 0.07 120.51 129.48 1oqd n ALA 10 Ca -0.18 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1oqd n ALA 10 Cb 0.55 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 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 -0.23 5.89 0.00 0.00 2.15 0.73 -4.19 116.67 121.02 1oqd s ASP 11 Ca 0.55 -2.15 0.03 0.00 0.43 0.00 0.00 52.55 51.42 1oqd s ASP 11 Cb -0.49 -2.05 0.16 0.00 -0.30 0.00 0.00 42.92 40.23 1oqd s ASP 11 CO 0.63 -0.66 1.00 -1.54 -0.17 0.00 0.00 175.17 174.43 1oqd n SER 12 N 4.62 0.00 -0.99 -0.34 3.41 -1.18 -2.63 113.62 116.52 1oqd n SER 12 Ca -0.03 0.34 0.11 0.00 -0.26 0.00 0.00 58.87 59.03 1oqd n SER 12 Cb 0.41 -0.37 0.26 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.37 2.28 -4.07 4.33 1.02 -1.26 -4.91 120.64 116.66 1oqd n GLU 13 Ca 0.01 -1.95 -0.12 0.00 -0.02 0.00 0.00 57.16 55.09 1oqd n GLU 13 Cb 0.03 -1.47 -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 0.49 0.64 2.62 -4.23 -1.08 -5.14 115.64 107.44 1oqd s THR 14 Ca 0.37 -1.19 -0.17 0.00 -1.18 0.00 0.00 61.69 59.52 1oqd s THR 14 Cb 0.21 -0.73 -0.01 0.00 1.34 0.00 0.00 72.50 73.31 1oqd s THR 14 CO 0.29 -0.48 1.21 -2.84 -0.54 0.00 0.00 174.62 172.26 1oqd s PRO 15 N -1.93 2.67 0.28 3.99 0.02 -1.26 -4.87 135.00 133.89 1oqd s PRO 15 Ca -0.07 1.80 -0.29 0.00 0.02 0.00 0.00 61.00 62.45 1oqd s PRO 15 Cb -0.07 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 1oqd s PRO 15 CO -0.01 -1.44 1.27 0.95 -0.33 0.00 0.00 177.00 177.44 1oqd s THR 16 N -1.75 3.02 0.02 0.99 -4.23 -1.26 -4.68 115.64 107.75 1oqd s THR 16 Ca 0.76 0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 61.93 1oqd s THR 16 Cb -0.30 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1oqd s THR 16 CO 0.38 0.20 1.10 -0.63 -0.54 0.00 0.00 174.62 175.13 1oqd s ILE 17 N -0.76 4.42 -0.12 2.99 1.01 -0.50 -4.88 121.20 123.36 1oqd s ILE 17 Ca 0.50 1.73 -0.04 0.00 0.00 0.00 0.00 60.65 62.85 1oqd s ILE 17 Cb -0.37 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 1oqd s ILE 17 CO 0.46 0.12 0.04 -1.58 0.00 0.00 0.00 174.94 173.98 1oqd s GLN 18 N 1.14 3.37 -0.29 2.79 2.00 -1.26 -0.67 119.66 126.74 1oqd s GLN 18 Ca 0.55 -0.35 -0.21 0.00 -2.00 0.00 0.00 55.36 53.36 1oqd s GLN 18 Cb -0.25 -2.98 0.17 0.00 0.80 0.00 0.00 33.01 30.75 1oqd s GLN 18 CO 0.28 0.57 1.19 0.21 -0.50 0.00 0.00 175.29 177.03 1oqd s LYS 19 N -0.48 0.24 -1.30 1.67 2.20 -0.78 -4.96 119.74 116.33 1oqd s LYS 19 Ca 0.09 0.35 -0.09 0.00 -0.36 0.00 0.00 55.97 55.96 1oqd s LYS 19 Cb -0.12 0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.35 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 2.64 -0.49 2.43 5.54 0.00 -1.26 -0.05 105.19 114.00 1oqd n GLY 20 Ca -0.15 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 -2.29 -5.51 -4.38 1.61 3.41 -1.26 -5.00 113.62 100.20 1oqd n SER 21 Ca -0.03 0.14 -0.27 0.00 -0.26 0.00 0.00 58.87 58.45 1oqd n SER 21 Cb 0.55 -4.60 -0.12 0.00 -0.26 0.00 0.00 64.21 59.77 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 -0.14 7.33 1.51 0.93 -3.49 117.35 122.75 1oqd s TYR 22 Ca 0.00 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1oqd s TYR 22 Cb 0.00 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1oqd s TYR 22 CO 0.00 0.37 -0.08 0.99 -1.11 0.00 0.00 175.55 175.72 1oqd s THR 23 N -1.39 3.48 -0.14 -0.71 2.01 0.59 -1.86 115.64 117.63 1oqd s THR 23 Ca 0.15 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1oqd s THR 23 Cb -0.09 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 1oqd s THR 23 CO 0.07 0.51 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 1oqd s PHE 24 N 0.36 2.76 0.25 4.92 0.40 0.15 -1.54 117.98 125.29 1oqd s PHE 24 Ca -0.07 -0.87 -0.30 0.00 -0.60 0.00 0.00 56.93 55.08 1oqd s PHE 24 Cb -0.15 -1.84 -0.10 0.00 0.51 0.00 0.00 43.02 41.44 1oqd s PHE 24 CO 0.04 -0.36 1.36 0.08 0.70 0.00 0.00 175.22 177.05 1oqd s VAL 25 N 0.55 2.85 -0.47 -0.44 1.01 -1.26 -1.41 120.40 121.22 1oqd s VAL 25 Ca -0.10 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 1oqd s VAL 25 Cb -0.16 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1oqd s VAL 25 CO 0.04 0.13 1.10 -2.84 0.00 0.00 0.00 175.10 173.53 1oqd s PRO 26 N -0.66 3.70 0.41 2.72 0.02 -1.26 -4.87 135.00 135.05 1oqd s PRO 26 Ca 0.56 0.51 -0.06 0.00 0.02 0.00 0.00 61.00 62.02 1oqd s PRO 26 Cb -0.40 -3.91 -0.05 0.00 0.02 0.00 0.00 34.50 30.17 1oqd s PRO 26 CO 0.44 -1.35 0.72 -1.58 -0.33 0.00 0.00 177.00 174.90 1oqd s TRP 27 N 4.33 3.51 -0.00 6.54 0.52 -1.26 -0.19 118.94 132.39 1oqd s TRP 27 Ca 0.46 0.82 0.01 0.00 0.02 0.00 0.00 56.10 57.41 1oqd s TRP 27 Cb -0.08 -2.28 -0.00 0.00 -1.15 0.00 0.00 33.47 29.96 1oqd s TRP 27 CO 0.31 -0.11 -0.04 -1.17 0.02 0.00 0.00 176.95 175.96 1oqd s LEU 28 N -4.21 2.02 0.12 2.99 2.96 0.11 -4.71 118.68 117.96 1oqd s LEU 28 Ca 0.47 -0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 53.99 1oqd s LEU 28 Cb -0.10 -0.18 -0.09 0.00 0.50 0.00 0.00 46.19 46.32 1oqd s LEU 28 CO 0.37 0.03 1.59 -0.22 -1.32 0.00 0.00 176.35 176.81 1oqd s LEU 29 N -0.13 4.37 -0.16 -0.68 2.96 -1.26 -0.26 118.68 123.52 1oqd s LEU 29 Ca 0.01 2.53 -0.13 0.00 -0.22 0.00 0.00 54.13 56.32 1oqd s LEU 29 Cb -0.02 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1oqd s LEU 29 CO -0.00 -0.84 -0.01 -1.28 -1.32 0.00 0.00 176.35 172.90 1oqd h SER 30 N 7.49 0.00 -4.53 3.68 0.87 -1.17 -3.45 113.55 116.44 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 0.97 0.42 0.72 -0.53 0.00 0.00 176.83 179.34 1oqd s PHE 31 N -2.22 -0.44 -0.03 2.24 -0.12 -1.06 -5.00 117.98 111.35 1oqd s PHE 31 Ca -0.18 0.61 0.02 0.00 -0.05 0.00 0.00 56.93 57.32 1oqd s PHE 31 Cb 0.03 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1oqd s PHE 31 CO 0.33 -0.50 -0.07 0.21 -0.05 0.00 0.00 175.22 175.14 1oqd s LYS 32 N -1.89 0.83 -0.07 1.99 2.20 -1.26 -1.01 119.74 120.54 1oqd s LYS 32 Ca -0.02 -0.23 -0.02 0.00 -0.36 0.00 0.00 55.97 55.34 1oqd s LYS 32 Cb -0.01 -0.79 0.03 0.00 -1.51 0.00 0.00 37.83 35.55 1oqd s LYS 32 CO -0.01 0.06 0.05 0.50 -0.36 0.00 0.00 175.35 175.59 1oqd s ARG 33 N 0.34 0.12 0.24 4.03 3.52 0.02 -5.01 118.95 122.21 1oqd s ARG 33 Ca -0.05 0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 1oqd s ARG 33 Cb -0.09 -0.80 0.00 0.00 -1.56 0.00 0.00 34.95 32.50 1oqd s ARG 33 CO 0.00 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 1oqd n GLY 34 N 5.25 -1.80 0.00 8.12 0.00 -1.26 -1.38 105.19 114.12 1oqd n GLY 34 Ca -0.05 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 0.07 1.68 0.30 1.61 3.41 -1.26 -4.77 113.62 114.66 1oqd n SER 35 Ca 0.00 -0.29 0.17 0.00 -0.26 0.00 0.00 58.87 58.50 1oqd n SER 35 Cb 0.00 0.91 0.92 0.00 -0.26 0.00 0.00 64.21 65.78 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 1.16 -3.94 7.33 0.00 -1.92 -3.42 119.26 118.46 1oqd h ALA 36 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 54.91 54.48 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 0.05 -0.78 -0.51 0.00 0.00 0.00 179.25 178.01 1oqd s LEU 37 N -6.72 1.92 0.11 0.00 1.43 -1.26 -0.24 118.68 113.91 1oqd s LEU 37 Ca -0.03 -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 45.84 1oqd s LEU 37 CO 0.51 0.09 -0.09 -1.61 0.23 0.00 0.00 176.35 175.48 1oqd s GLU 38 N -0.04 0.88 -0.09 1.70 2.02 -0.07 -4.88 118.70 118.22 1oqd s GLU 38 Ca 0.01 -1.28 -0.13 0.00 0.02 0.00 0.00 54.97 53.58 1oqd s GLU 38 Cb -0.05 -0.42 -0.05 0.00 0.10 0.00 0.00 34.13 33.71 1oqd s GLU 38 CO -0.00 0.04 0.33 -1.83 0.02 0.00 0.00 175.26 173.82 1oqd s GLU 39 N -3.37 3.99 -0.13 1.61 -1.05 -1.26 0.60 118.70 119.08 1oqd s GLU 39 Ca 0.10 0.21 -0.05 0.00 -0.15 0.00 0.00 54.97 55.08 1oqd s GLU 39 Cb 0.01 -3.30 0.06 0.00 -0.44 0.00 0.00 34.13 30.46 1oqd s GLU 39 CO -0.02 0.51 0.28 0.21 0.95 0.00 0.00 175.26 177.19 1oqd s LYS 40 N -0.39 0.17 -1.48 -4.83 2.20 0.10 -4.85 119.74 110.65 1oqd s LYS 40 Ca 0.20 0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 56.49 1oqd s LYS 40 Cb -0.14 -0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1oqd s LYS 40 CO 0.08 -0.27 0.14 0.39 -0.36 0.00 0.00 175.35 175.33 1oqd n GLU 41 N 5.23 -0.86 -1.35 4.03 1.02 -1.26 0.13 120.64 127.59 1oqd n GLU 41 Ca -0.08 0.09 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1oqd n GLU 41 Cb 0.50 -3.39 -0.05 0.00 -0.02 0.00 0.00 31.44 28.48 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 -2.75 -4.34 -4.28 1.62 4.05 -1.26 -5.00 115.26 103.30 1oqd n ASN 42 Ca -0.29 0.27 -0.15 0.00 0.45 0.00 0.00 54.58 54.86 1oqd n ASN 42 Cb 0.67 -2.84 -0.10 0.00 1.23 0.00 0.00 39.78 38.74 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 -2.99 1.30 -0.27 1.20 1.02 0.12 -4.86 119.74 115.25 1oqd s LYS 43 Ca 0.00 -1.68 -0.10 0.00 0.02 0.00 0.00 55.97 54.21 1oqd s LYS 43 Cb 0.00 -0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.05 1oqd s LYS 43 CO 0.00 -0.25 0.15 0.42 -0.92 0.00 0.00 175.35 174.75 1oqd s ILE 44 N -3.76 4.93 -0.16 2.17 1.01 -0.42 0.01 121.20 124.99 1oqd s ILE 44 Ca 0.33 0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 1oqd s ILE 44 Cb 0.07 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1oqd s ILE 44 CO 0.10 0.27 0.29 -0.22 0.00 0.00 0.00 174.94 175.38 1oqd s LEU 45 N 1.70 4.25 -0.15 2.97 2.96 0.20 -0.17 118.68 130.44 1oqd s LEU 45 Ca 0.07 0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 54.27 1oqd s LEU 45 Cb -0.16 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 1oqd s LEU 45 CO 0.08 0.11 0.60 -0.69 -1.32 0.00 0.00 176.35 175.13 1oqd s VAL 46 N 0.43 5.08 -0.53 1.68 1.01 -0.28 -0.90 120.40 126.88 1oqd s VAL 46 Ca 0.16 1.17 0.12 0.00 0.00 0.00 0.00 61.98 63.44 1oqd s VAL 46 Cb -0.13 -3.93 -0.14 0.00 0.00 0.00 0.00 36.38 32.18 1oqd s VAL 46 CO 0.04 0.20 0.51 0.29 0.00 0.00 0.00 175.10 176.14 1oqd n LYS 47 N 4.37 2.63 -3.89 2.72 4.76 0.66 -0.69 118.16 128.72 1oqd n LYS 47 Ca -0.03 -0.01 -0.17 0.00 -2.87 0.00 0.00 58.31 55.23 1oqd n LYS 47 Cb 0.51 -1.11 -0.16 0.00 -1.84 0.00 0.00 35.03 32.42 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 -2.25 0.24 0.47 1.97 2.02 -1.23 -4.77 118.70 115.16 1oqd s GLU 48 Ca 0.04 0.10 -0.20 0.00 0.02 0.00 0.00 54.97 54.93 1oqd s GLU 48 Cb 0.09 -0.46 -0.09 0.00 0.10 0.00 0.00 34.13 33.78 1oqd s GLU 48 CO 0.52 -0.15 1.01 0.95 0.02 0.00 0.00 175.26 177.61 1oqd s THR 49 N 1.08 3.97 -3.78 3.63 -4.23 -1.26 -4.53 115.64 110.51 1oqd s THR 49 Ca -0.09 1.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1oqd s THR 49 Cb -0.13 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1oqd s THR 49 CO -0.02 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1oqd n GLY 50 N -0.39 -0.78 3.63 3.99 0.00 -0.63 -4.95 105.19 106.06 1oqd n GLY 50 Ca 0.09 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 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 3.27 0.10 1.61 1.51 -1.26 -1.57 117.35 118.01 1oqd s TYR 51 Ca 0.00 0.09 0.09 0.00 -1.01 0.00 0.00 57.07 56.25 1oqd s TYR 51 Cb 0.00 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1oqd s TYR 51 CO 0.00 0.07 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.21 1oqd s PHE 52 N 0.77 2.08 -0.27 2.71 0.40 -0.38 -0.34 117.98 122.95 1oqd s PHE 52 Ca 0.05 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1oqd s PHE 52 Cb -0.13 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.20 1oqd s PHE 52 CO 0.02 0.25 0.23 0.12 0.70 0.00 0.00 175.22 176.54 1oqd s PHE 53 N -1.04 3.24 -0.04 0.36 5.36 0.11 -1.31 117.98 124.66 1oqd s PHE 53 Ca 0.10 0.20 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1oqd s PHE 53 Cb -0.10 -2.42 -0.02 0.00 -0.34 0.00 0.00 43.02 40.14 1oqd s PHE 53 CO 0.05 -0.16 -0.19 0.42 -1.46 0.00 0.00 175.22 173.88 1oqd s ILE 54 N 1.77 2.66 0.07 3.12 1.01 0.02 -0.15 121.20 129.70 1oqd s ILE 54 Ca 0.09 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1oqd s ILE 54 Cb -0.16 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 1oqd s ILE 54 CO 0.10 0.59 0.19 -0.72 0.00 0.00 0.00 174.94 175.10 1oqd s TYR 55 N -0.65 0.12 -0.12 3.97 -0.85 0.23 -1.37 117.35 118.68 1oqd s TYR 55 Ca 0.10 -0.47 -0.30 0.00 -0.52 0.00 0.00 57.07 55.88 1oqd s TYR 55 Cb -0.11 -0.05 0.10 0.00 0.38 0.00 0.00 41.96 42.28 1oqd s TYR 55 CO 0.00 -0.50 0.86 0.20 -1.52 0.00 0.00 175.55 174.60 1oqd s GLY 56 N -2.55 -0.40 -0.02 5.49 0.00 -0.95 -0.68 107.32 108.21 1oqd s GLY 56 Ca 0.01 1.75 -0.04 0.00 0.00 0.00 0.00 44.72 46.44 1oqd s GLY 56 CO -0.08 1.03 0.10 1.62 0.00 0.00 0.00 173.10 175.77 1oqd s GLN 57 N -1.09 0.26 -0.00 2.90 0.74 0.01 -2.15 119.66 120.32 1oqd s GLN 57 Ca -0.05 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1oqd s GLN 57 Cb -0.00 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.22 1oqd s GLN 57 CO 0.05 -0.05 -0.01 0.08 -0.55 0.00 0.00 175.29 174.81 1oqd s VAL 58 N -0.55 0.13 -0.38 1.34 1.01 -1.09 -0.99 120.40 119.87 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 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1oqd s VAL 58 CO 0.00 0.04 0.34 -0.22 0.00 0.00 0.00 175.10 175.26 1oqd s LEU 59 N 0.05 4.72 -0.15 3.92 0.20 -1.25 -1.47 118.68 124.70 1oqd s LEU 59 Ca -0.00 -0.54 -0.18 0.00 0.69 0.00 0.00 54.13 54.10 1oqd s LEU 59 Cb -0.02 -2.26 -0.04 0.00 -0.43 0.00 0.00 46.19 43.45 1oqd s LEU 59 CO -0.00 -0.40 0.49 -0.31 -0.29 0.00 0.00 176.35 175.84 1oqd s TYR 60 N 1.89 3.46 -0.19 5.38 1.51 0.95 -1.64 117.35 128.72 1oqd s TYR 60 Ca 0.09 0.85 0.14 0.00 -1.01 0.00 0.00 57.07 57.14 1oqd s TYR 60 Cb -0.17 -2.59 0.44 0.00 -0.11 0.00 0.00 41.96 39.52 1oqd s TYR 60 CO 0.11 0.07 1.19 0.25 -1.11 0.00 0.00 175.55 176.07 1oqd n THR 61 N 3.99 1.72 -4.63 -0.71 -2.24 -0.30 -1.44 114.28 110.67 1oqd n THR 61 Ca -0.06 -2.95 -0.34 0.00 -2.27 0.00 0.00 64.05 58.43 1oqd n THR 61 Cb 0.51 -0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.11 4.51 -0.16 3.42 3.68 -1.05 -4.74 116.67 119.22 1oqd s ASP 62 Ca 0.39 -0.12 0.06 0.00 2.13 0.00 0.00 52.55 55.01 1oqd s ASP 62 Cb 0.38 -1.36 0.41 0.00 -1.45 0.00 0.00 42.92 40.90 1oqd s ASP 62 CO -0.06 0.28 1.26 2.29 0.13 0.00 0.00 175.17 179.07 1oqd n LYS 63 N 2.76 2.61 -0.55 4.34 2.85 -1.26 -4.72 118.16 124.18 1oqd n LYS 63 Ca -0.18 -1.63 -0.06 0.00 -1.05 0.00 0.00 58.31 55.40 1oqd n LYS 63 Cb 0.53 -1.81 -0.08 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 0.11 1.72 0.00 0.58 -1.04 -1.26 -4.80 114.28 109.60 1oqd n THR 64 Ca 0.20 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1oqd n THR 64 Cb 0.86 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 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 2.50 0.00 -3.66 -1.42 0.18 -1.26 -4.49 117.16 109.01 1oqd n TYR 65 Ca 0.21 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.92 1oqd n TYR 65 Cb 0.51 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.39 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 -1.38 0.26 -3.48 0.00 -1.26 -1.20 121.76 114.70 1oqd s ALA 66 Ca 0.00 1.74 0.07 0.00 0.00 0.00 0.00 51.96 53.77 1oqd s ALA 66 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1oqd s ALA 66 CO 0.00 -0.73 -0.09 -1.64 0.00 0.00 0.00 175.76 173.30 1oqd s MET 67 N 2.52 1.52 0.00 0.00 -1.94 -0.40 -4.95 119.30 116.05 1oqd s MET 67 Ca -0.04 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.20 1oqd s MET 67 Cb -0.11 -1.21 0.00 0.00 2.01 0.00 0.00 34.83 35.51 1oqd s MET 67 CO -0.14 0.10 0.00 0.41 -0.01 0.00 0.00 175.02 175.37 1oqd n GLY 68 N -0.54 0.53 3.26 -0.03 0.00 -1.26 -0.48 105.19 106.67 1oqd n GLY 68 Ca -0.06 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 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 1.34 -0.02 1.61 -3.43 -1.10 -4.19 115.29 107.50 1oqd s HIS 69 Ca 0.00 -1.28 0.05 0.00 -0.80 0.00 0.00 55.06 53.03 1oqd s HIS 69 Cb 0.00 -0.72 -0.01 0.00 -1.43 0.00 0.00 32.58 30.42 1oqd s HIS 69 CO 0.00 -0.49 -0.18 -0.51 -2.00 0.00 0.00 174.74 171.57 1oqd s LEU 70 N -3.23 2.00 -0.34 5.38 1.43 0.31 -2.25 118.68 121.97 1oqd s LEU 70 Ca 0.38 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1oqd s LEU 70 Cb 0.07 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1oqd s LEU 70 CO 0.13 0.20 0.19 -0.63 0.23 0.00 0.00 176.35 176.46 1oqd s ILE 71 N -0.27 4.72 0.24 -0.59 1.01 0.01 -0.20 121.20 126.12 1oqd s ILE 71 Ca 0.04 -0.55 0.09 0.00 0.00 0.00 0.00 60.65 60.23 1oqd s ILE 71 Cb -0.08 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 1oqd s ILE 71 CO 0.00 -0.06 -0.02 -1.10 0.00 0.00 0.00 174.94 173.76 1oqd s GLN 72 N 1.61 2.27 -0.09 2.79 -0.21 0.63 -1.24 119.66 125.42 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 -2.18 0.01 0.00 1.00 0.00 0.00 33.01 31.66 1oqd s GLN 72 CO 0.07 0.38 -0.18 0.50 -2.12 0.00 0.00 175.29 173.94 1oqd s ARG 73 N -3.48 2.46 -0.43 2.91 3.52 0.20 -1.66 118.95 122.48 1oqd s ARG 73 Ca 0.30 -0.67 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 1oqd s ARG 73 Cb -0.07 -1.95 0.06 0.00 -1.56 0.00 0.00 34.95 31.44 1oqd s ARG 73 CO 0.19 0.07 0.31 0.15 -0.81 0.00 0.00 175.30 175.21 1oqd s LYS 74 N 0.61 2.82 0.29 5.12 1.02 0.00 -0.37 119.74 129.22 1oqd s LYS 74 Ca -0.14 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 54.22 1oqd s LYS 74 Cb -0.17 -3.93 -0.10 0.00 -0.52 0.00 0.00 37.83 33.11 1oqd s LYS 74 CO 0.04 -0.93 1.32 0.15 -0.92 0.00 0.00 175.35 175.01 1oqd s LYS 75 N 1.55 4.36 0.07 1.68 1.02 0.72 -2.44 119.74 126.71 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 -3.11 -0.26 0.00 -0.52 0.00 0.00 37.83 33.71 1oqd s LYS 75 CO 0.05 -0.22 1.14 0.28 -0.92 0.00 0.00 175.35 175.68 1oqd h VAL 76 N 3.28 1.35 -3.36 3.17 2.07 -1.87 -3.44 116.25 117.45 1oqd h VAL 76 Ca -0.47 -2.62 -0.65 0.00 0.82 0.00 0.00 66.70 63.78 1oqd h VAL 76 Cb 1.22 2.74 -0.22 0.00 -1.52 0.00 0.00 31.29 33.50 1oqd h VAL 76 CO 0.70 0.79 -0.69 -1.00 0.02 0.00 0.00 177.57 177.39 1oqd s HIS 77 N -2.92 2.97 0.03 1.57 3.76 -1.26 -5.07 115.29 114.36 1oqd s HIS 77 Ca -0.07 -0.32 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 1oqd s HIS 77 Cb 0.06 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 1oqd s HIS 77 CO 0.91 -0.02 -0.14 0.08 -0.85 0.00 0.00 174.74 174.72 1oqd s VAL 78 N 0.18 1.14 0.02 -0.90 1.01 -1.26 -5.03 120.40 115.57 1oqd s VAL 78 Ca -0.03 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1oqd s VAL 78 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1oqd s VAL 78 CO 0.03 0.08 -0.18 -0.36 0.00 0.00 0.00 175.10 174.67 1oqd s PHE 79 N -0.73 1.61 0.00 5.22 0.40 -1.26 -5.01 117.98 118.20 1oqd s PHE 79 Ca 0.03 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1oqd s PHE 79 Cb -0.07 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.47 1oqd s PHE 79 CO 0.01 0.04 0.00 0.41 0.70 0.00 0.00 175.22 176.38 1oqd n GLY 80 N 2.12 2.82 1.85 4.36 0.00 -1.26 -0.95 105.19 114.13 1oqd n GLY 80 Ca -0.17 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 3.79 5.23 -4.73 1.61 5.75 -1.26 -4.98 116.55 121.95 1oqd n ASP 81 Ca 0.00 -2.95 -0.35 0.00 -0.01 0.00 0.00 54.79 51.48 1oqd n ASP 81 Cb 0.00 -0.69 0.07 0.00 -1.03 0.00 0.00 41.12 39.47 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 -2.70 2.49 -0.08 0.11 2.02 -0.12 -4.98 118.70 115.43 1oqd s GLU 82 Ca 0.51 1.85 -0.19 0.00 0.02 0.00 0.00 54.97 57.17 1oqd s GLU 82 Cb 0.40 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.72 1oqd s GLU 82 CO 0.14 -1.59 0.51 -0.51 0.02 0.00 0.00 175.26 173.83 1oqd s LEU 83 N -4.64 4.33 0.00 1.80 1.02 -1.26 -4.81 118.68 115.11 1oqd s LEU 83 Ca 0.77 0.93 0.29 0.00 0.02 0.00 0.00 54.13 56.14 1oqd s LEU 83 Cb -0.32 -2.75 1.41 0.00 0.02 0.00 0.00 46.19 44.55 1oqd s LEU 83 CO 0.40 0.05 2.00 -1.54 0.02 0.00 0.00 176.35 177.28 1oqd n SER 84 N 3.27 0.00 -4.20 2.29 3.41 -1.26 -4.60 113.62 112.53 1oqd n SER 84 Ca -0.07 0.07 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1oqd n SER 84 Cb 0.52 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.71 2.89 -0.11 1.04 1.98 -1.26 -0.20 118.68 120.31 1oqd s LEU 85 Ca 0.23 -0.75 0.03 0.00 -2.89 0.00 0.00 54.13 50.75 1oqd s LEU 85 Cb 0.20 -1.63 -0.00 0.00 0.66 0.00 0.00 46.19 45.41 1oqd s LEU 85 CO 0.48 -0.08 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.96 1oqd s VAL 86 N 1.34 2.36 -0.42 1.68 1.01 0.51 -4.95 120.40 121.92 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 -0.15 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1oqd s VAL 86 CO -0.06 0.55 0.49 0.28 0.00 0.00 0.00 175.10 176.36 1oqd s THR 87 N 0.34 5.01 -0.02 3.92 -1.32 -1.26 0.63 115.64 122.94 1oqd s THR 87 Ca -0.17 -0.17 -0.21 0.00 -1.21 0.00 0.00 61.69 59.94 1oqd s THR 87 Cb -0.17 -4.07 -0.13 0.00 -1.51 0.00 0.00 72.50 66.61 1oqd s THR 87 CO 0.08 -0.45 0.91 -0.07 -2.21 0.00 0.00 174.62 172.88 1oqd h LEU 88 N 9.22 -0.44 -8.04 9.08 4.07 -1.52 -3.47 115.31 124.22 1oqd h LEU 88 Ca -0.26 -0.11 -0.30 0.00 0.08 0.00 0.00 57.88 57.29 1oqd h LEU 88 Cb 1.11 0.11 -0.25 0.00 1.08 0.00 0.00 40.66 42.71 1oqd h LEU 88 CO 0.82 -0.00 -0.74 -0.36 -1.08 0.00 0.00 178.44 177.07 1oqd s PHE 89 N -3.90 0.56 -0.05 1.13 0.40 -1.18 -5.01 117.98 109.93 1oqd s PHE 89 Ca -0.12 -0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 55.78 1oqd s PHE 89 Cb 0.01 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.22 1oqd s PHE 89 CO 0.40 -0.05 0.31 -0.98 0.70 0.00 0.00 175.22 175.60 1oqd s ARG 90 N -0.86 0.57 0.15 0.44 1.70 -1.26 -0.81 118.95 118.88 1oqd s ARG 90 Ca -0.04 0.02 0.02 0.00 -0.47 0.00 0.00 55.73 55.26 1oqd s ARG 90 Cb -0.06 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1oqd s ARG 90 CO 0.00 -0.13 -0.03 0.00 -1.08 0.00 0.00 175.30 174.06 1oqd s ILE 92 N -3.61 0.24 -0.06 0.00 1.01 -1.26 -2.71 121.20 114.80 1oqd s ILE 92 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1oqd s ILE 92 Cb 0.05 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 42.32 1oqd s ILE 92 CO 0.01 -0.01 -0.04 -1.10 0.00 0.00 0.00 174.94 173.80 1oqd s GLN 93 N -0.28 0.93 0.40 2.79 -1.52 0.37 -4.98 119.66 117.37 1oqd s GLN 93 Ca -0.01 -0.09 -0.25 0.00 -1.95 0.00 0.00 55.36 53.06 1oqd s GLN 93 Cb -0.02 -1.03 -0.08 0.00 -0.22 0.00 0.00 33.01 31.66 1oqd s GLN 93 CO -0.00 -0.16 1.18 -0.80 -0.25 0.00 0.00 175.29 175.26 1oqd s ASN 94 N 1.31 6.52 0.10 5.90 0.01 -1.26 -1.27 114.94 126.25 1oqd s ASN 94 Ca -0.04 2.37 0.06 0.00 -0.71 0.00 0.00 52.86 54.54 1oqd s ASN 94 Cb -0.14 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 1oqd s ASN 94 CO -0.02 -0.68 -0.03 -0.04 -1.51 0.00 0.00 177.10 174.81 1oqd s MET 95 N -2.27 2.40 0.77 -0.60 -1.94 -0.34 -4.90 119.30 112.41 1oqd s MET 95 Ca 0.57 -0.91 -0.08 0.00 -1.71 0.00 0.00 55.69 53.56 1oqd s MET 95 Cb -0.31 -2.46 0.11 0.00 2.01 0.00 0.00 34.83 34.18 1oqd s MET 95 CO 0.40 0.53 1.08 -2.14 -0.01 0.00 0.00 175.02 174.87 1oqd s PRO 96 N -2.29 1.72 -0.07 2.03 0.02 -1.26 -4.39 135.00 130.77 1oqd s PRO 96 Ca 0.24 -0.48 -0.01 0.00 0.02 0.00 0.00 61.00 60.78 1oqd s PRO 96 Cb -0.11 -2.13 -0.26 0.00 0.02 0.00 0.00 34.50 32.02 1oqd s PRO 96 CO 0.17 -1.56 0.57 1.49 -0.33 0.00 0.00 177.00 177.34 1oqd h GLU 97 N -0.83 0.19 0.00 5.54 4.57 -1.98 -3.42 114.58 118.65 1oqd h GLU 97 Ca -0.43 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.42 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 0.51 0.99 0.00 0.25 -1.18 0.00 0.00 179.01 179.58 1oqd n THR 98 N -3.36 0.00 -3.51 0.32 -2.24 -1.26 -4.75 114.28 99.49 1oqd n THR 98 Ca -0.24 0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 1oqd n THR 98 Cb 1.05 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 68.60 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 5.89 -0.27 3.22 1.43 -1.26 -5.03 118.68 122.66 1oqd s LEU 99 Ca 0.00 -3.67 -0.38 0.00 -1.03 0.00 0.00 54.13 49.04 1oqd s LEU 99 Cb 0.00 -2.04 -0.14 0.00 0.03 0.00 0.00 46.19 44.04 1oqd s LEU 99 CO 0.00 -0.23 1.87 -2.65 0.23 0.00 0.00 176.35 175.57 1oqd n PRO 100 N 2.49 1.26 -2.75 1.29 -0.02 -1.26 -4.89 135.00 131.12 1oqd n PRO 100 Ca 0.22 0.44 -0.05 0.00 -2.02 0.00 0.00 63.50 62.09 1oqd n PRO 100 Cb 0.38 -2.24 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 6.52 -3.20 -3.98 2.55 3.02 -1.19 -4.21 115.26 114.77 1oqd n ASN 101 Ca 0.30 -3.01 -0.28 0.00 -0.03 0.00 0.00 54.58 51.55 1oqd n ASN 101 Cb 0.17 1.76 -0.17 0.00 -0.61 0.00 0.00 39.78 40.93 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 -0.08 2.44 -0.08 6.41 0.01 -0.52 -4.96 114.94 118.16 1oqd s ASN 102 Ca 0.31 -0.40 -0.04 0.00 -0.71 0.00 0.00 52.86 52.02 1oqd s ASN 102 Cb 0.09 -1.03 -0.04 0.00 0.41 0.00 0.00 41.25 40.68 1oqd s ASN 102 CO -0.12 -0.07 0.08 -0.94 -1.51 0.00 0.00 177.10 174.54 1oqd s SER 103 N 1.49 5.86 -0.09 -1.22 1.04 -1.26 -0.03 113.70 119.48 1oqd s SER 103 Ca 0.03 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.77 1oqd s SER 103 Cb -0.13 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.23 1oqd s SER 103 CO -0.08 0.36 -0.15 0.00 0.98 0.00 0.00 173.24 174.34 1oqd s TYR 105 N 0.79 2.93 -0.21 0.00 5.04 -1.26 -2.69 117.35 121.95 1oqd s TYR 105 Ca -0.11 -0.02 -0.23 0.00 -2.44 0.00 0.00 57.07 54.28 1oqd s TYR 105 Cb -0.16 -1.61 0.06 0.00 0.35 0.00 0.00 41.96 40.60 1oqd s TYR 105 CO 0.02 0.40 0.62 0.45 -1.34 0.00 0.00 175.55 175.70 1oqd s SER 106 N -1.50 -0.64 0.17 4.32 0.15 -0.92 -5.02 113.70 110.26 1oqd s SER 106 Ca 0.18 1.17 -0.14 0.00 0.70 0.00 0.00 55.95 57.86 1oqd s SER 106 Cb -0.11 1.17 0.01 0.00 -1.71 0.00 0.00 66.02 65.38 1oqd s SER 106 CO 0.09 -0.27 0.40 0.00 1.20 0.00 0.00 173.24 174.66 1oqd s ALA 107 N 0.10 -0.53 0.09 5.45 0.00 -1.26 -2.24 121.76 123.37 1oqd s ALA 107 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.20 1oqd s ALA 107 Cb -0.04 0.82 0.09 0.00 0.00 0.00 0.00 23.12 23.99 1oqd s ALA 107 CO 0.02 -0.71 1.15 0.20 0.00 0.00 0.00 175.76 176.42 1oqd s GLY 108 N -2.90 -0.01 -0.07 0.00 0.00 -0.47 -5.00 107.32 98.87 1oqd s GLY 108 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1oqd s GLY 108 CO -0.03 3.69 -0.06 -0.42 0.00 0.00 0.00 173.10 176.28 1oqd s ILE 109 N -2.12 3.79 0.05 0.90 1.01 -1.26 -0.80 121.20 122.77 1oqd s ILE 109 Ca 0.25 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.39 1oqd s ILE 109 Cb -0.01 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1oqd s ILE 109 CO 0.02 0.60 0.12 0.00 0.00 0.00 0.00 174.94 175.69 1oqd s ALA 110 N -0.81 -0.11 -0.23 9.38 0.00 -0.42 -4.99 121.76 124.58 1oqd s ALA 110 Ca 0.12 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 1oqd s ALA 110 Cb -0.11 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1oqd s ALA 110 CO 0.02 -0.37 0.37 0.21 0.00 0.00 0.00 175.76 175.98 1oqd s LYS 111 N -2.95 4.12 0.25 0.00 2.47 -1.26 -1.25 119.74 121.11 1oqd s LYS 111 Ca -0.02 0.11 0.09 0.00 -1.56 0.00 0.00 55.97 54.58 1oqd s LYS 111 Cb 0.01 -3.57 -0.05 0.00 -1.46 0.00 0.00 37.83 32.75 1oqd s LYS 111 CO -0.06 -0.10 -0.13 -0.51 0.16 0.00 0.00 175.35 174.71 1oqd s LEU 112 N 1.51 2.56 0.17 5.43 1.43 -0.61 -5.00 118.68 124.17 1oqd s LEU 112 Ca 0.17 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1oqd s LEU 112 Cb -0.15 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1oqd s LEU 112 CO 0.08 -0.17 -0.12 -1.61 0.23 0.00 0.00 176.35 174.75 1oqd s GLU 113 N -3.63 1.18 0.09 1.70 2.02 -1.26 -1.60 118.70 117.19 1oqd s GLU 113 Ca 0.27 -1.50 -0.37 0.00 0.02 0.00 0.00 54.97 53.39 1oqd s GLU 113 Cb -0.00 -0.88 -0.17 0.00 0.10 0.00 0.00 34.13 33.18 1oqd s GLU 113 CO 0.11 0.13 1.28 0.39 0.02 0.00 0.00 175.26 177.20 1oqd n GLU 114 N -0.24 1.02 0.00 1.61 1.02 -1.26 -0.51 120.64 122.29 1oqd n GLU 114 Ca -0.09 0.37 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1oqd n GLU 114 Cb 0.60 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 2.35 3.41 3.75 0.62 0.00 0.14 -4.81 105.19 110.65 1oqd n GLY 115 Ca 0.18 0.00 -0.35 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 -0.94 4.98 0.00 1.61 1.01 0.34 -4.53 116.67 119.14 1oqd s ASP 116 Ca 0.00 2.25 0.05 0.00 0.71 0.00 0.00 52.55 55.56 1oqd s ASP 116 Cb 0.00 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1oqd s ASP 116 CO 0.00 -1.73 -0.15 -1.61 0.21 0.00 0.00 175.17 171.90 1oqd s GLU 117 N -3.67 1.13 0.01 8.23 2.02 -1.02 -1.12 118.70 124.27 1oqd s GLU 117 Ca 0.73 -0.60 0.03 0.00 0.02 0.00 0.00 54.97 55.15 1oqd s GLU 117 Cb -0.27 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.82 1oqd s GLU 117 CO 0.38 0.30 -0.04 -0.51 0.02 0.00 0.00 175.26 175.40 1oqd s LEU 118 N -0.57 3.32 0.01 1.80 1.43 0.76 -0.82 118.68 124.61 1oqd s LEU 118 Ca 0.05 -0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1oqd s LEU 118 Cb -0.06 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1oqd s LEU 118 CO 0.00 0.28 0.25 0.00 0.23 0.00 0.00 176.35 177.10 1oqd s GLN 119 N -1.52 0.67 -0.27 1.70 -2.07 -0.66 -1.30 119.66 116.21 1oqd s GLN 119 Ca 0.18 -0.40 -0.06 0.00 -1.82 0.00 0.00 55.36 53.26 1oqd s GLN 119 Cb -0.11 0.29 -0.00 0.00 -1.09 0.00 0.00 33.01 32.09 1oqd s GLN 119 CO 0.09 -0.19 0.05 -1.17 -1.32 0.00 0.00 175.29 172.75 1oqd s LEU 120 N -1.67 3.56 0.03 2.60 1.98 -1.26 -0.27 118.68 123.64 1oqd s LEU 120 Ca -0.10 -0.57 0.08 0.00 -2.89 0.00 0.00 54.13 50.65 1oqd s LEU 120 Cb -0.04 -1.85 -0.02 0.00 0.66 0.00 0.00 46.19 44.94 1oqd s LEU 120 CO 0.00 -0.13 -0.23 0.00 -1.89 0.00 0.00 176.35 174.11 1oqd s ALA 121 N 1.51 1.93 -0.27 5.97 0.00 0.71 -4.44 121.76 127.17 1oqd s ALA 121 Ca 0.04 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1oqd s ALA 121 Cb -0.16 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1oqd s ALA 121 CO 0.01 0.45 -0.00 0.42 0.00 0.00 0.00 175.76 176.64 1oqd s ILE 122 N -0.72 3.25 0.00 0.00 1.01 -0.59 0.11 121.20 124.27 1oqd s ILE 122 Ca 0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1oqd s ILE 122 Cb -0.09 -2.70 -0.15 0.00 0.01 0.00 0.00 42.46 39.53 1oqd s ILE 122 CO 0.01 0.10 2.34 -2.65 0.00 0.00 0.00 174.94 174.74 1oqd n PRO 123 N 4.73 1.19 -3.85 2.79 -0.02 -1.26 -0.30 135.00 138.28 1oqd n PRO 123 Ca -0.15 -0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 60.65 1oqd n PRO 123 Cb 0.47 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.59 0.01 0.06 -0.52 3.00 -1.25 -4.97 118.95 116.86 1oqd s ARG 124 Ca 0.37 0.05 -0.12 0.00 0.00 0.00 0.00 55.73 56.04 1oqd s ARG 124 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 34.95 35.06 1oqd s ARG 124 CO 0.00 -0.03 1.00 0.39 0.00 0.00 0.00 175.30 176.66 1oqd n GLU 125 N 3.28 -0.17 -3.13 3.54 -0.58 -1.23 -2.88 120.64 119.47 1oqd n GLU 125 Ca -0.15 0.99 -0.18 0.00 -0.42 0.00 0.00 57.16 57.40 1oqd n GLU 125 Cb 0.58 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.95 1oqd n GLU 125 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1oqd n ASN 126 N -3.84 0.23 -4.58 1.62 5.15 -1.26 -4.58 115.26 108.00 1oqd n ASN 126 Ca 0.01 -2.99 -0.51 0.00 -0.60 0.00 0.00 54.58 50.48 1oqd n ASN 126 Cb 0.10 -0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 38.98 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 -1.07 -2.73 5.20 0.00 -1.24 -4.91 120.51 116.41 1oqd n ALA 127 Ca 0.22 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.73 1oqd n ALA 127 Cb 0.63 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 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 0.16 3.23 0.12 0.00 -1.52 -1.26 -5.00 119.66 115.38 1oqd s GLN 128 Ca 0.81 -0.51 0.08 0.00 -1.95 0.00 0.00 55.36 53.79 1oqd s GLN 128 Cb -0.94 -4.13 -0.04 0.00 -0.22 0.00 0.00 33.01 27.68 1oqd s GLN 128 CO 0.49 -1.66 -0.19 0.42 -0.25 0.00 0.00 175.29 174.10 1oqd s ILE 129 N 4.08 1.68 0.14 1.08 1.09 -1.26 -1.15 121.20 126.87 1oqd s ILE 129 Ca 0.27 -1.63 -0.16 0.00 -1.10 0.00 0.00 60.65 58.03 1oqd s ILE 129 Cb -0.14 -1.59 -0.07 0.00 -1.06 0.00 0.00 42.46 39.59 1oqd s ILE 129 CO 0.15 -0.15 0.58 -0.55 -0.10 0.00 0.00 174.94 174.87 1oqd s SER 130 N -2.11 6.92 -0.28 3.58 0.15 -0.65 -4.89 113.70 116.41 1oqd s SER 130 Ca 0.08 1.18 0.09 0.00 0.70 0.00 0.00 55.95 58.00 1oqd s SER 130 Cb -0.09 -2.33 0.50 0.00 -1.71 0.00 0.00 66.02 62.40 1oqd s SER 130 CO 0.05 0.13 1.44 0.18 1.20 0.00 0.00 173.24 176.24 1oqd n LEU 131 N 1.00 3.98 -4.75 3.45 4.32 -1.26 -4.63 117.00 119.11 1oqd n LEU 131 Ca -0.06 -3.78 -0.40 0.00 -0.02 0.00 0.00 56.01 51.75 1oqd n LEU 131 Cb 0.51 -0.62 -0.05 0.00 -1.62 0.00 0.00 43.42 41.64 1oqd n LEU 131 CO 0.42 1.27 0.51 -1.81 -1.22 0.00 0.00 177.39 176.56 1oqd s ASP 132 N -2.60 7.30 0.24 -1.43 -0.00 -1.26 -3.09 116.67 115.83 1oqd s ASP 132 Ca 0.44 1.55 0.16 0.00 -0.00 0.00 0.00 52.55 54.70 1oqd s ASP 132 Cb 0.40 -2.50 0.88 0.00 -0.00 0.00 0.00 42.92 41.70 1oqd s ASP 132 CO -0.01 0.03 1.49 0.61 -0.00 0.00 0.00 175.17 177.29 1oqd n GLY 133 N 2.25 -0.77 0.13 0.21 0.00 -1.26 -2.08 105.19 103.68 1oqd n GLY 133 Ca -0.02 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.07 1.17 -0.02 1.61 5.75 -1.26 -4.47 116.55 117.26 1oqd n ASP 134 Ca -0.01 -1.01 -0.01 0.00 -0.01 0.00 0.00 54.79 53.75 1oqd n ASP 134 Cb 0.03 0.72 -0.05 0.00 -1.03 0.00 0.00 41.12 40.79 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 -1.10 0.30 -3.84 2.12 0.24 -0.88 -4.95 118.33 110.23 1oqd n VAL 135 Ca 0.06 -0.23 -0.29 0.00 -2.04 0.00 0.00 64.34 61.84 1oqd n VAL 135 Cb 0.36 -0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 32.09 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 -2.25 1.01 0.18 3.34 -1.32 -1.05 -3.83 115.64 111.73 1oqd s THR 136 Ca -0.03 -0.86 -0.03 0.00 -1.21 0.00 0.00 61.69 59.56 1oqd s THR 136 Cb 0.03 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1oqd s THR 136 CO 0.26 -0.14 0.17 0.72 -2.21 0.00 0.00 174.62 173.43 1oqd s PHE 137 N 1.63 0.90 -0.11 9.09 -0.12 -0.16 -2.32 117.98 126.89 1oqd s PHE 137 Ca -0.03 -1.20 -0.08 0.00 -0.05 0.00 0.00 56.93 55.57 1oqd s PHE 137 Cb -0.18 -0.39 0.03 0.00 -0.63 0.00 0.00 43.02 41.85 1oqd s PHE 137 CO -0.07 -0.66 0.27 0.12 -0.05 0.00 0.00 175.22 174.83 1oqd s PHE 138 N -4.09 -0.33 0.15 3.49 5.36 -0.64 -0.81 117.98 121.11 1oqd s PHE 138 Ca 0.31 0.78 -0.24 0.00 -0.96 0.00 0.00 56.93 56.82 1oqd s PHE 138 Cb 0.06 0.10 0.06 0.00 -0.34 0.00 0.00 43.02 42.90 1oqd s PHE 138 CO 0.08 -0.18 0.76 0.20 -1.46 0.00 0.00 175.22 174.62 1oqd s GLY 139 N 0.53 -0.39 0.01 13.12 0.00 0.15 0.47 107.32 121.21 1oqd s GLY 139 Ca -0.03 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1oqd s GLY 139 CO -0.03 0.11 -0.02 0.00 0.00 0.00 0.00 173.10 173.16 1oqd s ALA 140 N -3.56 0.14 -0.05 3.20 0.00 -0.90 -0.60 121.76 119.99 1oqd s ALA 140 Ca 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1oqd s ALA 140 Cb -0.02 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1oqd s ALA 140 CO -0.05 -0.05 -0.06 -1.17 0.00 0.00 0.00 175.76 174.43 1oqd s LEU 141 N -0.71 1.45 -0.00 0.00 0.20 0.78 -1.72 118.68 118.68 1oqd s LEU 141 Ca -0.07 -0.16 -0.26 0.00 0.69 0.00 0.00 54.13 54.32 1oqd s LEU 141 Cb -0.05 -0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 1oqd s LEU 141 CO -0.00 -0.02 0.83 -0.75 -0.29 0.00 0.00 176.35 176.11 1oqd s LYS 142 N 0.78 4.51 0.28 1.98 2.20 0.47 0.10 119.74 130.06 1oqd s LYS 142 Ca -0.12 1.15 -0.15 0.00 -0.36 0.00 0.00 55.97 56.49 1oqd s LYS 142 Cb -0.14 -3.42 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 1oqd s LYS 142 CO 0.01 0.10 0.69 -0.51 -0.36 0.00 0.00 175.35 175.27 1oqd s LEU 143 N 0.58 4.14 0.00 5.43 1.43 0.54 -4.40 118.68 126.41 1oqd s LEU 143 Ca 0.43 1.22 0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1oqd s LEU 143 Cb -0.20 -3.88 1.78 0.00 0.03 0.00 0.00 46.19 43.92 1oqd s LEU 143 CO 0.23 -0.13 2.11 0.18 0.23 0.00 0.00 176.35 178.98