#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqj s VAL 2 N 0.00 4.18 0.61 0.58 1.01 -1.26 -0.81 120.40 124.70 1dqj s VAL 2 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1dqj s VAL 2 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1dqj s VAL 2 CO 0.00 -0.26 1.09 -0.36 0.00 0.00 0.00 175.10 175.57 1dqj s PHE 3 N 1.47 2.79 0.40 5.22 0.40 0.16 -4.99 117.98 123.43 1dqj s PHE 3 Ca 0.01 1.54 -0.12 0.00 -0.60 0.00 0.00 56.93 57.75 1dqj s PHE 3 Cb -0.20 -3.12 -0.07 0.00 0.51 0.00 0.00 43.02 40.14 1dqj s PHE 3 CO 0.04 -1.41 0.79 0.20 0.70 0.00 0.00 175.22 175.53 1dqj s GLY 4 N -2.53 2.02 0.10 4.36 0.00 -1.26 -4.81 107.32 105.21 1dqj s GLY 4 Ca 0.66 -0.12 -0.33 0.00 0.00 0.00 0.00 44.72 44.93 1dqj s GLY 4 CO 0.37 0.08 1.57 -0.09 0.00 0.00 0.00 173.10 175.03 1dqj h ARG 5 N 1.39 -0.73 -0.71 2.90 2.43 -1.97 0.12 114.38 117.81 1dqj h ARG 5 Ca -0.47 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1dqj h ARG 5 Cb 1.18 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1dqj h ARG 5 CO 0.64 -0.49 0.25 0.00 -1.51 0.00 0.00 179.97 178.86 1dqj h GLU 7 N 1.04 0.35 -0.54 0.00 4.81 -1.87 -0.44 114.58 117.93 1dqj h GLU 7 Ca 0.23 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1dqj h GLU 7 Cb 0.25 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1dqj h GLU 7 CO -0.01 0.23 -0.06 1.25 -0.73 0.00 0.00 179.01 179.68 1dqj h LEU 8 N 0.36 0.95 -0.86 1.64 5.85 -0.67 -1.79 115.31 120.80 1dqj h LEU 8 Ca 0.19 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1dqj h LEU 8 Cb 0.15 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1dqj h LEU 8 CO -0.17 1.04 0.56 0.00 -0.34 0.00 0.00 178.44 179.53 1dqj h ALA 9 N 1.05 1.09 -0.49 1.25 0.00 -0.48 0.28 119.26 121.96 1dqj h ALA 9 Ca 0.15 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1dqj h ALA 9 Cb 0.60 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1dqj h ALA 9 CO 0.04 0.50 -0.09 0.00 0.00 0.00 0.00 179.25 179.70 1dqj h ALA 10 N 1.31 0.67 -0.43 0.00 0.00 -0.90 -0.19 119.26 119.72 1dqj h ALA 10 Ca 0.31 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1dqj h ALA 10 Cb -0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dqj h ALA 10 CO -0.07 0.56 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 1dqj h ALA 11 N 0.90 0.98 -0.23 0.00 0.00 -0.85 -0.85 119.26 119.21 1dqj h ALA 11 Ca 0.13 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1dqj h ALA 11 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dqj h ALA 11 CO 0.04 0.60 -0.40 0.52 0.00 0.00 0.00 179.25 180.02 1dqj h MET 12 N 0.71 0.54 -0.56 0.00 2.86 -0.20 0.20 114.93 118.47 1dqj h MET 12 Ca 0.12 -0.27 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 1dqj h MET 12 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1dqj h MET 12 CO 0.04 0.85 -0.09 -0.22 1.06 0.00 0.00 176.91 178.55 1dqj h LYS 13 N 0.45 1.04 -0.68 1.72 3.64 -0.74 -1.57 116.57 120.43 1dqj h LYS 13 Ca 0.04 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 1dqj h LYS 13 Cb 0.89 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1dqj h LYS 13 CO 0.08 1.07 0.24 -0.09 -2.27 0.00 0.00 179.45 178.48 1dqj h ARG 14 N 0.93 1.04 -0.46 1.90 2.43 -0.83 -1.95 114.38 117.45 1dqj h ARG 14 Ca 0.15 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1dqj h ARG 14 Cb 0.66 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1dqj h ARG 14 CO 0.05 0.89 0.00 0.72 -1.51 0.00 0.00 179.97 180.11 1dqj n HIS 15 N -4.35 0.00 -2.81 2.20 8.25 0.03 -4.89 115.22 113.64 1dqj n HIS 15 Ca 0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 1dqj n HIS 15 Cb 0.20 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.29 1dqj n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqj n GLY 16 N 0.26 -0.19 0.10 -1.41 0.00 -0.73 -4.94 105.19 98.28 1dqj n GLY 16 Ca 0.00 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1dqj n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dqj n LEU 17 N -3.00 0.80 -4.60 0.99 4.77 -0.62 -4.44 117.00 110.89 1dqj n LEU 17 Ca -0.08 0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 1dqj n LEU 17 Cb 0.59 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1dqj n LEU 17 CO 0.34 -0.15 1.36 -0.62 -1.33 0.00 0.00 177.39 177.00 1dqj s ASP 18 N -5.06 6.10 -0.42 -1.43 2.15 -1.26 -2.36 116.67 114.39 1dqj s ASP 18 Ca 0.01 0.92 0.00 0.00 0.43 0.00 0.00 52.55 53.91 1dqj s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1dqj s ASP 18 CO 0.78 -1.61 0.00 -3.20 -0.17 0.00 0.00 175.17 170.98 1dqj n ASN 19 N 9.62 -3.47 -4.68 -0.34 5.15 0.06 -4.85 115.26 116.74 1dqj n ASN 19 Ca 0.19 0.10 -0.42 0.00 -0.60 0.00 0.00 54.58 53.84 1dqj n ASN 19 Cb 0.48 -1.32 -0.03 0.00 -0.53 0.00 0.00 39.78 38.38 1dqj n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1dqj s TYR 20 N -2.15 2.58 -1.11 1.20 5.04 -1.00 -2.57 117.35 119.34 1dqj s TYR 20 Ca 0.00 0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 55.13 1dqj s TYR 20 Cb 0.00 -3.77 0.08 0.00 0.35 0.00 0.00 41.96 38.61 1dqj s TYR 20 CO 0.00 -3.01 0.37 0.54 -1.34 0.00 0.00 175.55 172.11 1dqj n ARG 21 N 5.85 -2.81 -0.19 4.97 5.12 -1.26 -1.37 116.66 126.97 1dqj n ARG 21 Ca 0.15 0.35 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1dqj n ARG 21 Cb 0.43 -4.99 0.00 0.00 -1.16 0.00 0.00 32.46 26.74 1dqj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dqj n GLY 22 N -1.00 1.11 3.50 -0.13 0.00 -1.06 -5.03 105.19 102.57 1dqj n GLY 22 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1dqj n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dqj s TYR 23 N -2.64 3.06 0.82 1.61 2.02 -0.47 -4.85 117.35 116.89 1dqj s TYR 23 Ca 0.00 -0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 56.36 1dqj s TYR 23 Cb 0.00 -3.39 0.09 0.00 -0.40 0.00 0.00 41.96 38.27 1dqj s TYR 23 CO 0.00 -0.92 1.19 -1.54 -1.57 0.00 0.00 175.55 172.71 1dqj s SER 24 N 2.20 3.51 0.48 2.29 1.04 -1.26 -0.76 113.70 121.20 1dqj s SER 24 Ca 0.20 2.31 0.24 0.00 0.48 0.00 0.00 55.95 59.18 1dqj s SER 24 Cb -0.16 -2.58 1.28 0.00 0.10 0.00 0.00 66.02 64.66 1dqj s SER 24 CO 0.17 -2.72 1.88 0.25 0.98 0.00 0.00 173.24 173.80 1dqj h LEU 25 N -1.08 0.20 -0.77 2.42 5.85 -1.89 -2.42 115.31 117.63 1dqj h LEU 25 Ca -0.46 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.32 1dqj h LEU 25 Cb 1.29 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1dqj h LEU 25 CO 0.45 0.08 0.49 1.23 -0.34 0.00 0.00 178.44 180.35 1dqj h GLY 26 N 0.20 1.12 0.35 3.75 0.00 -1.90 -2.19 103.07 104.39 1dqj h GLY 26 Ca 0.44 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.49 1dqj h GLY 26 CO -0.09 0.31 0.18 3.43 0.00 0.00 0.00 176.54 180.36 1dqj h ASN 27 N 0.95 0.13 -0.27 0.19 2.35 -1.66 0.90 115.58 118.17 1dqj h ASN 27 Ca 0.31 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1dqj h ASN 27 Cb 0.02 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1dqj h ASN 27 CO -0.11 0.09 -0.23 -0.50 -1.65 0.00 0.00 177.43 175.02 1dqj h TRP 28 N 0.34 0.75 -0.51 1.19 4.06 -1.59 -0.75 115.95 119.43 1dqj h TRP 28 Ca 0.29 -0.22 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 1dqj h TRP 28 Cb 0.38 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 1dqj h TRP 28 CO -0.19 0.93 0.29 0.28 -3.56 0.00 0.00 178.44 176.18 1dqj h VAL 29 N 0.36 1.17 -0.31 1.49 2.07 -1.01 -1.06 116.25 118.96 1dqj h VAL 29 Ca 0.05 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1dqj h VAL 29 Cb 0.78 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1dqj h VAL 29 CO 0.06 0.18 0.18 0.00 0.02 0.00 0.00 177.57 178.01 1dqj h ALA 31 N 1.06 1.07 -0.40 0.00 0.00 -0.89 -1.87 119.26 118.24 1dqj h ALA 31 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1dqj h ALA 31 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dqj h ALA 31 CO -0.02 0.59 0.15 0.00 0.00 0.00 0.00 179.25 179.96 1dqj h ALA 32 N 1.24 0.52 0.16 0.00 0.00 -0.92 -0.02 119.26 120.25 1dqj h ALA 32 Ca 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1dqj h ALA 32 Cb 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1dqj h ALA 32 CO -0.05 0.14 -0.30 -0.22 0.00 0.00 0.00 179.25 178.82 1dqj h LYS 33 N 0.50 -0.53 0.00 0.00 1.63 -0.76 -0.52 116.57 116.90 1dqj h LYS 33 Ca 0.13 0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1dqj h LYS 33 Cb 0.22 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1dqj h LYS 33 CO -0.01 -0.35 -0.30 0.74 -3.45 0.00 0.00 179.45 176.08 1dqj h PHE 34 N -0.55 0.00 0.21 1.91 0.04 -1.29 0.04 116.94 117.30 1dqj h PHE 34 Ca 0.02 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.51 1dqj h PHE 34 Cb 0.56 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.74 1dqj h PHE 34 CO -0.25 0.30 -1.21 0.93 -0.60 0.00 0.00 178.31 177.48 1dqj h GLU 35 N 0.00 0.45 0.00 1.51 4.39 -0.69 -3.43 114.58 116.80 1dqj h GLU 35 Ca -0.00 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1dqj h GLU 35 Cb 0.78 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1dqj h GLU 35 CO 0.04 1.36 0.00 -1.13 -1.16 0.00 0.00 179.01 178.12 1dqj n SER 36 N -3.89 0.00 -2.39 1.42 3.41 -0.23 -4.83 113.62 107.12 1dqj n SER 36 Ca -0.16 -1.00 -0.18 0.00 -0.26 0.00 0.00 58.87 57.27 1dqj n SER 36 Cb 0.99 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.96 1dqj n SER 36 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1dqj n ASN 37 N 0.00 -5.29 -1.33 4.04 3.02 -0.00 -2.18 115.26 113.51 1dqj n ASN 37 Ca 0.00 -0.18 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 1dqj n ASN 37 Cb 0.34 -4.20 -0.03 0.00 -0.61 0.00 0.00 39.78 35.28 1dqj n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1dqj n PHE 38 N -4.23 -0.34 -3.47 3.10 3.72 -1.22 -4.75 117.46 110.27 1dqj n PHE 38 Ca -0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.86 1dqj n PHE 38 Cb 0.62 -2.74 -0.10 0.00 -0.94 0.00 0.00 39.48 36.31 1dqj n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1dqj s ASN 39 N -2.61 6.11 0.54 4.37 2.47 -0.93 -0.67 114.94 124.23 1dqj s ASN 39 Ca 0.00 -0.57 0.30 0.00 0.42 0.00 0.00 52.86 53.01 1dqj s ASN 39 Cb 0.00 -2.16 1.52 0.00 -1.45 0.00 0.00 41.25 39.16 1dqj s ASN 39 CO 0.00 -0.35 2.08 0.71 -3.72 0.00 0.00 177.10 175.82 1dqj h THR 40 N 5.56 0.42 -0.02 -5.21 1.35 -1.29 -2.63 112.91 111.11 1dqj h THR 40 Ca -0.29 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1dqj h THR 40 Cb 1.14 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1dqj h THR 40 CO 0.69 0.09 -0.04 0.00 -0.25 0.00 0.00 175.52 176.01 1dqj n GLN 41 N -3.48 1.59 -1.60 4.72 1.13 -1.26 -3.89 117.38 114.59 1dqj n GLN 41 Ca -0.01 -0.97 -0.46 0.00 -1.94 0.00 0.00 57.00 53.62 1dqj n GLN 41 Cb 0.24 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.08 1dqj n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dqj n ALA 42 N 0.14 -0.18 -2.96 -1.58 0.00 -0.99 -4.77 120.51 110.16 1dqj n ALA 42 Ca 0.18 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.94 1dqj n ALA 42 Cb 0.37 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.63 1dqj n ALA 42 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dqj s THR 43 N -0.55 0.10 -0.19 0.00 -1.32 -1.26 -1.82 115.64 110.60 1dqj s THR 43 Ca 0.66 -0.74 -0.07 0.00 -1.21 0.00 0.00 61.69 60.33 1dqj s THR 43 Cb -0.75 -0.22 0.08 0.00 -1.51 0.00 0.00 72.50 70.11 1dqj s THR 43 CO 0.55 -0.40 0.39 0.21 -2.21 0.00 0.00 174.62 173.16 1dqj s ASN 44 N -1.19 -0.17 0.16 8.08 2.47 -0.88 -4.97 114.94 118.44 1dqj s ASN 44 Ca -0.13 0.92 -0.27 0.00 0.42 0.00 0.00 52.86 53.81 1dqj s ASN 44 Cb -0.08 1.21 -0.08 0.00 -1.45 0.00 0.00 41.25 40.86 1dqj s ASN 44 CO -0.01 -0.23 0.82 -0.13 -3.72 0.00 0.00 177.10 173.83 1dqj s ARG 45 N 2.52 4.63 0.27 0.43 0.52 -1.26 -0.76 118.95 125.28 1dqj s ARG 45 Ca -0.02 1.23 0.08 0.00 -0.52 0.00 0.00 55.73 56.51 1dqj s ARG 45 Cb -0.12 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 1dqj s ARG 45 CO -0.12 0.48 0.15 -0.80 0.02 0.00 0.00 175.30 175.03 1dqj s ASN 46 N -0.88 5.21 0.39 0.23 0.01 -0.51 -4.98 114.94 114.41 1dqj s ASN 46 Ca 0.38 -0.40 0.18 0.00 -0.71 0.00 0.00 52.86 52.32 1dqj s ASN 46 Cb -0.23 -1.19 1.11 0.00 0.41 0.00 0.00 41.25 41.35 1dqj s ASN 46 CO 0.27 -0.06 1.74 0.74 -1.51 0.00 0.00 177.10 178.28 1dqj h THR 47 N 1.58 0.47 -3.07 1.60 2.02 -1.98 -3.40 112.91 110.13 1dqj h THR 47 Ca -0.47 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 1dqj h THR 47 Cb 1.24 0.06 0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1dqj h THR 47 CO 0.61 0.07 0.04 -0.90 0.37 0.00 0.00 175.52 175.70 1dqj n ASP 48 N -4.69 0.13 -0.20 4.18 3.85 -1.26 -4.94 116.55 113.62 1dqj n ASP 48 Ca 0.27 -1.14 0.00 0.00 -0.71 0.00 0.00 54.79 53.22 1dqj n ASP 48 Cb 0.93 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 40.58 1dqj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1dqj n GLY 49 N 3.75 0.01 3.95 6.12 0.00 -1.26 -4.87 105.19 112.89 1dqj n GLY 49 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1dqj n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dqj s SER 50 N -0.68 6.30 0.01 1.61 1.04 -1.26 -4.45 113.70 116.28 1dqj s SER 50 Ca 0.00 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1dqj s SER 50 Cb 0.00 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.12 1dqj s SER 50 CO 0.00 -0.24 -0.04 -0.89 0.98 0.00 0.00 173.24 173.05 1dqj s THR 51 N -2.23 0.28 -0.06 2.02 2.01 -1.26 -1.42 115.64 114.98 1dqj s THR 51 Ca 0.38 -0.47 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 1dqj s THR 51 Cb -0.09 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1dqj s THR 51 CO 0.34 -0.13 0.38 -1.81 -0.69 0.00 0.00 174.62 172.71 1dqj s ASP 52 N -0.63 6.68 0.06 3.53 1.01 0.06 -1.12 116.67 126.25 1dqj s ASP 52 Ca -0.04 0.81 0.08 0.00 0.71 0.00 0.00 52.55 54.10 1dqj s ASP 52 Cb -0.05 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1dqj s ASP 52 CO -0.00 0.22 -0.21 -0.31 0.21 0.00 0.00 175.17 175.08 1dqj s TYR 53 N -0.42 1.79 0.01 4.23 1.51 0.85 -2.08 117.35 123.24 1dqj s TYR 53 Ca 0.22 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1dqj s TYR 53 Cb -0.15 -1.04 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 1dqj s TYR 53 CO 0.10 0.13 0.00 0.41 -1.11 0.00 0.00 175.55 175.08 1dqj n GLY 54 N 1.60 -2.15 0.32 0.71 0.00 -0.76 -1.15 105.19 103.77 1dqj n GLY 54 Ca -0.18 -1.46 0.20 0.00 0.00 0.00 0.00 46.02 44.58 1dqj n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1dqj h ILE 55 N -0.05 0.17 -0.09 -0.61 2.10 -1.69 -1.53 117.51 115.81 1dqj h ILE 55 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1dqj h ILE 55 Cb 0.05 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 1dqj h ILE 55 CO 0.00 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.26 1dqj n LEU 56 N -3.31 2.68 -3.95 2.19 4.77 -1.26 -4.13 117.00 113.99 1dqj n LEU 56 Ca -0.03 -2.78 -0.37 0.00 -0.03 0.00 0.00 56.01 52.80 1dqj n LEU 56 Cb 0.09 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1dqj n LEU 56 CO 0.23 0.66 -0.20 0.00 -1.33 0.00 0.00 177.39 176.75 1dqj n GLN 57 N -0.89 -0.74 -2.99 3.23 1.13 -0.57 -4.91 117.38 111.63 1dqj n GLN 57 Ca 0.14 0.30 -0.40 0.00 -1.94 0.00 0.00 57.00 55.10 1dqj n GLN 57 Cb 0.61 -2.21 -0.05 0.00 0.11 0.00 0.00 30.24 28.70 1dqj n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1dqj s ILE 58 N -3.33 4.86 0.24 5.09 1.01 -0.30 -4.48 121.20 124.30 1dqj s ILE 58 Ca 0.28 1.58 -0.30 0.00 0.00 0.00 0.00 60.65 62.22 1dqj s ILE 58 Cb -0.16 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 1dqj s ILE 58 CO 0.90 0.31 1.05 0.21 0.00 0.00 0.00 174.94 177.41 1dqj s ASN 59 N 0.33 7.39 0.00 3.58 3.84 -1.26 -0.11 114.94 128.71 1dqj s ASN 59 Ca 0.39 2.12 0.29 0.00 0.21 0.00 0.00 52.86 55.88 1dqj s ASN 59 Cb -0.19 -2.62 1.33 0.00 -0.55 0.00 0.00 41.25 39.22 1dqj s ASN 59 CO 0.21 -0.06 1.94 -1.54 -2.79 0.00 0.00 177.10 174.86 1dqj n SER 60 N 1.56 0.14 -0.01 -4.21 3.41 -0.28 -1.66 113.62 112.57 1dqj n SER 60 Ca -0.01 -0.10 -0.17 0.00 -0.26 0.00 0.00 58.87 58.34 1dqj n SER 60 Cb 0.46 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1dqj n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1dqj h ARG 61 N 0.13 0.46 0.00 4.33 1.12 -1.84 -3.40 114.38 115.19 1dqj h ARG 61 Ca 0.00 -0.43 -0.12 0.00 -1.11 0.00 0.00 59.98 58.32 1dqj h ARG 61 Cb 0.36 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 1dqj h ARG 61 CO 0.00 1.07 -1.46 0.91 -3.11 0.00 0.00 179.97 177.39 1dqj n TRP 62 N -4.23 0.00 -0.06 2.20 7.02 -1.24 -2.19 117.44 118.94 1dqj n TRP 62 Ca -0.09 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.25 1dqj n TRP 62 Cb 0.64 -0.32 -0.14 0.00 -2.42 0.00 0.00 31.31 29.07 1dqj n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1dqj n TRP 63 N -2.52 0.56 -4.27 -5.99 7.02 -0.66 0.02 117.44 111.59 1dqj n TRP 63 Ca -0.13 0.16 -0.14 0.00 -1.02 0.00 0.00 57.50 56.37 1dqj n TRP 63 Cb 0.68 -1.09 -0.10 0.00 -2.42 0.00 0.00 31.31 28.38 1dqj n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1dqj s ASN 65 N -3.23 4.10 0.00 0.00 2.47 -0.40 -4.42 114.94 113.45 1dqj s ASN 65 Ca 0.33 -0.35 0.05 0.00 0.42 0.00 0.00 52.86 53.31 1dqj s ASN 65 Cb 0.07 -1.65 0.15 0.00 -1.45 0.00 0.00 41.25 38.37 1dqj s ASN 65 CO 0.09 0.10 1.11 -0.90 -3.72 0.00 0.00 177.10 173.78 1dqj n ASP 66 N 3.98 2.42 0.00 -4.21 5.68 -1.26 -1.08 116.55 122.08 1dqj n ASP 66 Ca -0.18 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1dqj n ASP 66 Cb 0.52 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 1dqj n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dqj n GLY 67 N 0.02 0.33 1.16 6.12 0.00 -1.26 -4.74 105.19 106.81 1dqj n GLY 67 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1dqj n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dqj n ARG 68 N -1.55 0.00 -4.36 1.61 1.85 -1.26 -5.07 116.66 107.88 1dqj n ARG 68 Ca 0.00 -1.56 -0.34 0.00 -1.00 0.00 0.00 57.85 54.95 1dqj n ARG 68 Cb 0.10 -0.07 -0.14 0.00 -1.05 0.00 0.00 32.46 31.29 1dqj n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1dqj s THR 69 N 0.00 3.09 0.03 8.89 2.01 -1.26 -4.91 115.64 123.49 1dqj s THR 69 Ca 0.21 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1dqj s THR 69 Cb 0.24 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1dqj s THR 69 CO -0.10 0.49 1.22 -2.16 -0.69 0.00 0.00 174.62 173.38 1dqj s PRO 70 N 0.88 4.39 0.00 4.92 0.04 -1.26 -3.40 135.00 140.57 1dqj s PRO 70 Ca -0.03 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1dqj s PRO 70 Cb -0.15 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1dqj s PRO 70 CO 0.00 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1dqj n GLY 71 N 3.30 0.58 3.72 0.56 0.00 -1.26 -4.89 105.19 107.19 1dqj n GLY 71 Ca 0.10 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1dqj n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dqj s SER 72 N -2.95 7.00 -0.04 1.61 0.15 -1.22 -4.71 113.70 113.53 1dqj s SER 72 Ca 0.00 2.13 0.14 0.00 0.70 0.00 0.00 55.95 58.92 1dqj s SER 72 Cb 0.00 -2.58 -0.21 0.00 -1.71 0.00 0.00 66.02 61.51 1dqj s SER 72 CO 0.00 -0.52 0.26 0.54 1.20 0.00 0.00 173.24 174.72 1dqj n ARG 73 N 3.79 0.74 -4.05 5.44 1.74 -0.93 -5.02 116.66 118.37 1dqj n ARG 73 Ca 0.09 -0.10 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 1dqj n ARG 73 Cb 0.45 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.51 1dqj n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dqj n ASN 74 N -2.11 -0.31 -0.31 0.55 5.15 -1.10 -4.84 115.26 112.29 1dqj n ASN 74 Ca -0.07 -1.10 0.13 0.00 -0.60 0.00 0.00 54.58 52.95 1dqj n ASN 74 Cb 0.50 -2.59 0.37 0.00 -0.53 0.00 0.00 39.78 37.53 1dqj n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1dqj h LEU 75 N -1.86 0.69 -0.07 1.20 4.07 -0.40 0.33 115.31 119.27 1dqj h LEU 75 Ca -0.64 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.38 1dqj h LEU 75 Cb 1.38 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1dqj h LEU 75 CO 0.64 0.29 -0.01 0.00 -1.08 0.00 0.00 178.44 178.28 1dqj n ASN 77 N -1.06 -0.98 -3.85 0.00 5.03 0.12 -4.97 115.26 109.55 1dqj n ASN 77 Ca 0.19 -0.99 -0.12 0.00 0.87 0.00 0.00 54.58 54.54 1dqj n ASN 77 Cb 0.19 -3.21 -0.10 0.00 -1.02 0.00 0.00 39.78 35.65 1dqj n ASN 77 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1dqj s ILE 78 N -3.87 0.07 0.33 2.41 1.10 -1.26 -5.06 121.20 114.92 1dqj s ILE 78 Ca 0.06 -0.61 -0.28 0.00 -0.51 0.00 0.00 60.65 59.31 1dqj s ILE 78 Cb -0.02 -0.45 -0.09 0.00 0.15 0.00 0.00 42.46 42.04 1dqj s ILE 78 CO 0.88 -0.34 1.14 -2.84 -2.11 0.00 0.00 174.94 171.67 1dqj s PRO 79 N -1.29 4.40 0.50 3.50 0.02 -1.26 -1.27 135.00 139.60 1dqj s PRO 79 Ca -0.14 1.83 0.19 0.00 0.02 0.00 0.00 61.00 62.90 1dqj s PRO 79 Cb -0.07 -2.97 1.25 0.00 0.02 0.00 0.00 34.50 32.74 1dqj s PRO 79 CO 0.02 -0.01 2.09 0.00 -0.33 0.00 0.00 177.00 178.76 1dqj h SER 81 N 0.00 0.00 0.43 0.00 4.64 -1.91 0.13 113.55 116.85 1dqj h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dqj h SER 81 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1dqj h SER 81 CO 0.01 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1dqj h ALA 82 N 1.98 1.00 -0.09 5.18 0.00 -1.67 -1.82 119.26 123.85 1dqj h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dqj h ALA 82 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dqj h ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1dqj n LEU 83 N -2.60 1.59 -0.43 0.00 4.77 0.47 -3.79 117.00 117.02 1dqj n LEU 83 Ca -0.00 -0.60 0.07 0.00 -0.03 0.00 0.00 56.01 55.45 1dqj n LEU 83 Cb 0.16 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 1dqj n LEU 83 CO 0.18 0.30 0.36 0.18 -1.33 0.00 0.00 177.39 177.08 1dqj n LEU 84 N 0.25 1.80 -4.71 2.23 4.77 -0.68 -3.16 117.00 117.50 1dqj n LEU 84 Ca 0.18 -0.89 -0.31 0.00 -0.03 0.00 0.00 56.01 54.96 1dqj n LEU 84 Cb 0.35 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.57 1dqj n LEU 84 CO 0.15 0.34 0.68 -0.55 -1.33 0.00 0.00 177.39 176.68 1dqj s SER 85 N -1.38 3.52 0.24 -1.43 0.15 -1.25 -4.18 113.70 109.38 1dqj s SER 85 Ca 0.14 1.94 0.26 0.00 0.70 0.00 0.00 55.95 58.98 1dqj s SER 85 Cb 0.11 -2.50 0.83 0.00 -1.71 0.00 0.00 66.02 62.75 1dqj s SER 85 CO 0.25 -2.68 1.76 0.28 1.20 0.00 0.00 173.24 174.05 1dqj h SER 86 N -1.58 0.00 -3.58 5.45 0.02 -1.94 -3.40 113.55 108.52 1dqj h SER 86 Ca -0.45 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.85 1dqj h SER 86 Cb 1.26 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.65 1dqj h SER 86 CO 0.47 0.00 0.08 -0.62 -1.14 0.00 0.00 176.83 175.62 1dqj s ASP 87 N -4.62 6.33 0.00 3.07 2.15 -1.26 -4.92 116.67 117.42 1dqj s ASP 87 Ca 0.09 -0.24 0.20 0.00 0.43 0.00 0.00 52.55 53.02 1dqj s ASP 87 Cb 0.11 -2.31 1.17 0.00 -0.30 0.00 0.00 42.92 41.60 1dqj s ASP 87 CO 0.56 -0.69 1.67 2.30 -0.17 0.00 0.00 175.17 178.84 1dqj n ILE 88 N 5.72 0.00 -0.23 4.11 -5.35 -1.26 -4.30 119.36 118.05 1dqj n ILE 88 Ca -0.02 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.37 1dqj n ILE 88 Cb 0.48 -0.42 -0.05 0.00 -1.74 0.00 0.00 39.64 37.92 1dqj n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1dqj h THR 89 N 0.00 0.06 -0.69 7.28 2.02 -1.93 -0.79 112.91 118.86 1dqj h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1dqj h THR 89 Cb 0.00 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 1dqj h THR 89 CO 0.00 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.27 1dqj h ALA 90 N 0.57 0.89 -0.50 6.16 0.00 -1.81 -1.64 119.26 122.92 1dqj h ALA 90 Ca 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1dqj h ALA 90 Cb 0.55 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1dqj h ALA 90 CO -0.72 0.40 0.18 0.77 0.00 0.00 0.00 179.25 179.88 1dqj h SER 91 N 0.95 0.66 -0.13 0.00 0.02 -1.60 -1.45 113.55 112.00 1dqj h SER 91 Ca 0.24 -0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 1dqj h SER 91 Cb 0.03 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.41 1dqj h SER 91 CO -0.04 0.61 -0.54 0.58 -1.14 0.00 0.00 176.83 176.31 1dqj h VAL 92 N 0.72 1.34 -0.31 2.27 2.07 -0.82 -0.70 116.25 120.81 1dqj h VAL 92 Ca 0.17 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 65.89 1dqj h VAL 92 Cb 0.17 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1dqj h VAL 92 CO -0.01 0.56 0.19 0.78 0.02 0.00 0.00 177.57 179.10 1dqj h ASN 93 N 0.24 0.31 -0.53 0.57 -0.26 -1.10 0.47 115.58 115.29 1dqj h ASN 93 Ca -0.03 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.65 1dqj h ASN 93 Cb 1.17 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 38.34 1dqj h ASN 93 CO 0.11 0.23 0.08 0.00 -1.06 0.00 0.00 177.43 176.79 1dqj h ALA 95 N 0.98 1.44 -0.32 0.00 0.00 -0.70 -0.21 119.26 120.44 1dqj h ALA 95 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1dqj h ALA 95 Cb 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1dqj h ALA 95 CO 0.01 0.52 -0.12 0.87 0.00 0.00 0.00 179.25 180.54 1dqj h LYS 96 N 1.07 0.56 -0.18 0.00 1.57 -0.58 -1.38 116.57 117.63 1dqj h LYS 96 Ca 0.29 -0.16 -0.21 0.00 -1.87 0.00 0.00 60.65 58.69 1dqj h LYS 96 Cb -0.12 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.14 1dqj h LYS 96 CO -0.06 0.67 -0.73 -0.22 -0.57 0.00 0.00 179.45 178.54 1dqj h LYS 97 N 0.51 0.81 0.02 3.15 3.64 -0.75 -2.60 116.57 121.34 1dqj h LYS 97 Ca 0.09 -0.63 -0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1dqj h LYS 97 Cb 0.51 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1dqj h LYS 97 CO 0.03 1.24 -0.01 0.82 -2.27 0.00 0.00 179.45 179.26 1dqj h ILE 98 N 0.55 0.99 0.00 2.00 2.04 -0.83 -2.22 117.51 120.04 1dqj h ILE 98 Ca -0.04 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1dqj h ILE 98 Cb 1.36 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1dqj h ILE 98 CO 0.15 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.86 1dqj n VAL 99 N -5.10 1.04 1.71 1.67 3.14 -0.54 -2.10 118.33 118.16 1dqj n VAL 99 Ca -0.07 0.28 0.13 0.00 -2.96 0.00 0.00 64.34 61.71 1dqj n VAL 99 Cb 0.04 -1.09 0.64 0.00 -1.06 0.00 0.00 33.84 32.37 1dqj n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1dqj n SER 100 N -1.67 0.74 -4.94 6.55 7.64 -0.83 -4.12 113.62 116.98 1dqj n SER 100 Ca 0.03 -1.37 -0.25 0.00 1.01 0.00 0.00 58.87 58.29 1dqj n SER 100 Cb 0.17 -0.02 0.06 0.00 -1.01 0.00 0.00 64.21 63.41 1dqj n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1dqj s ASP 101 N -1.83 4.91 0.48 6.43 2.15 -0.89 -4.98 116.67 122.94 1dqj s ASP 101 Ca 0.38 0.39 0.17 0.00 0.43 0.00 0.00 52.55 53.92 1dqj s ASP 101 Cb 0.19 -1.09 1.16 0.00 -0.30 0.00 0.00 42.92 42.88 1dqj s ASP 101 CO 0.31 -1.51 2.02 1.23 -0.17 0.00 0.00 175.17 177.05 1dqj h GLY 102 N -0.48 0.31 -2.56 2.66 0.00 -1.88 -2.59 103.07 98.53 1dqj h GLY 102 Ca -0.44 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 1dqj h GLY 102 CO 0.59 0.06 0.04 1.16 0.00 0.00 0.00 176.54 178.39 1dqj n ASN 103 N -4.46 3.75 0.00 0.19 0.23 -1.26 -5.00 115.26 108.71 1dqj n ASN 103 Ca 0.07 -2.58 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 1dqj n ASN 103 Cb 0.36 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 1dqj n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dqj n GLY 104 N 0.29 1.07 0.00 4.83 0.00 -0.98 -0.59 105.19 109.80 1dqj n GLY 104 Ca 0.18 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1dqj n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1dqj n MET 105 N 7.90 0.28 0.00 1.61 2.81 -1.26 -2.82 117.12 125.64 1dqj n MET 105 Ca 0.00 0.09 0.06 0.00 -1.81 0.00 0.00 57.70 56.04 1dqj n MET 105 Cb 0.00 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.36 1dqj n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dqj n ASN 106 N -1.15 0.00 0.20 7.83 3.02 0.24 -1.51 115.26 123.89 1dqj n ASN 106 Ca 0.08 -0.24 0.07 0.00 -0.03 0.00 0.00 54.58 54.46 1dqj n ASN 106 Cb 0.07 -0.09 0.37 0.00 -0.61 0.00 0.00 39.78 39.53 1dqj n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dqj h ALA 107 N 2.72 1.00 -2.20 5.41 0.00 -1.62 -3.39 119.26 121.19 1dqj h ALA 107 Ca 0.00 -0.29 -0.75 0.00 0.00 0.00 0.00 54.91 53.86 1dqj h ALA 107 Cb 0.03 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 17.53 1dqj h ALA 107 CO 0.00 0.40 -0.26 -1.58 0.00 0.00 0.00 179.25 177.81 1dqj s TRP 108 N -3.62 3.26 0.20 0.00 0.51 -0.57 -4.95 118.94 113.78 1dqj s TRP 108 Ca 0.00 -1.25 -0.12 0.00 -2.12 0.00 0.00 56.10 52.62 1dqj s TRP 108 Cb 0.11 -3.60 0.24 0.00 -0.81 0.00 0.00 33.47 29.40 1dqj s TRP 108 CO 0.67 -0.96 1.70 0.28 -0.51 0.00 0.00 176.95 178.13 1dqj h VAL 109 N 5.88 0.66 -0.93 4.03 2.07 -1.85 0.18 116.25 126.29 1dqj h VAL 109 Ca -0.29 -0.08 0.16 0.00 0.82 0.00 0.00 66.70 67.32 1dqj h VAL 109 Cb 1.10 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1dqj h VAL 109 CO 0.98 0.04 0.59 0.00 0.02 0.00 0.00 177.57 179.20 1dqj h ALA 110 N 1.44 1.83 -0.13 1.67 0.00 -1.95 0.33 119.26 122.46 1dqj h ALA 110 Ca 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1dqj h ALA 110 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1dqj h ALA 110 CO -0.38 -0.11 0.03 2.35 0.00 0.00 0.00 179.25 181.14 1dqj h TRP 111 N 0.69 0.21 0.54 0.00 7.01 -1.30 0.25 115.95 123.36 1dqj h TRP 111 Ca 0.48 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.44 1dqj h TRP 111 Cb 0.81 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1dqj h TRP 111 CO -0.00 0.36 -0.31 0.00 -2.79 0.00 0.00 178.44 175.70 1dqj h ARG 112 N 0.00 -0.76 -0.29 2.65 3.08 -0.65 1.43 114.38 119.84 1dqj h ARG 112 Ca 0.04 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1dqj h ARG 112 Cb 0.25 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1dqj h ARG 112 CO 0.00 -0.51 0.19 -0.91 -1.07 0.00 0.00 179.97 177.67 1dqj h ASN 113 N -0.79 0.32 -0.15 7.04 -0.26 -0.99 -3.22 115.58 117.53 1dqj h ASN 113 Ca -0.07 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1dqj h ASN 113 Cb 0.63 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1dqj h ASN 113 CO 0.08 0.23 0.00 0.54 -1.06 0.00 0.00 177.43 177.23 1dqj n ARG 114 N -4.89 1.58 0.00 0.81 3.00 0.89 -4.83 116.66 113.22 1dqj n ARG 114 Ca -0.01 -1.51 0.00 0.00 -0.01 0.00 0.00 57.85 56.31 1dqj n ARG 114 Cb 0.03 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.28 1dqj n ARG 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1dqj n LYS 116 N -2.10 1.35 -2.63 0.00 4.81 0.42 -2.04 118.16 117.96 1dqj n LYS 116 Ca 0.00 0.48 -0.05 0.00 -0.87 0.00 0.00 58.31 57.88 1dqj n LYS 116 Cb 0.11 -2.26 0.01 0.00 0.02 0.00 0.00 35.03 32.91 1dqj n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dqj n GLY 117 N 4.60 0.61 3.54 3.14 0.00 -1.26 -4.92 105.19 110.89 1dqj n GLY 117 Ca 0.28 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1dqj n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dqj s THR 118 N -2.95 0.50 -1.38 2.61 -4.23 -0.87 -5.02 115.64 104.30 1dqj s THR 118 Ca 0.10 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.52 1dqj s THR 118 Cb -0.04 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.44 1dqj s THR 118 CO 0.12 0.00 3.00 -0.67 -0.54 0.00 0.00 174.62 176.54 1dqj n ASP 119 N -1.48 8.23 -0.35 3.99 2.03 -1.26 -4.70 116.55 123.01 1dqj n ASP 119 Ca -0.07 -2.61 0.37 0.00 0.52 0.00 0.00 54.79 52.99 1dqj n ASP 119 Cb 0.64 -1.52 0.75 0.00 -0.72 0.00 0.00 41.12 40.28 1dqj n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1dqj h VAL 120 N 2.82 0.38 0.00 5.18 -1.51 -1.92 0.18 116.25 121.37 1dqj h VAL 120 Ca 0.77 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.24 1dqj h VAL 120 Cb 0.45 0.37 -0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1dqj h VAL 120 CO 1.55 0.00 -0.00 -0.61 -1.23 0.00 0.00 177.57 177.27 1dqj h GLN 121 N 0.01 0.00 -0.04 5.19 4.15 -1.89 -1.49 115.11 121.04 1dqj h GLN 121 Ca 0.59 0.00 0.01 0.00 0.77 0.00 0.00 58.65 60.03 1dqj h GLN 121 Cb 2.38 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 30.07 1dqj h GLN 121 CO -0.01 0.00 0.04 0.00 -1.93 0.00 0.00 178.83 176.93 1dqj h ALA 122 N 2.00 1.67 0.00 3.38 0.00 -1.03 -2.15 119.26 123.13 1dqj h ALA 122 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1dqj h ALA 122 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1dqj h ALA 122 CO 0.00 -0.05 -0.27 -1.49 0.00 0.00 0.00 179.25 177.44 1dqj h TRP 123 N 0.00 0.00 -0.01 0.00 4.06 -1.47 -2.93 115.95 115.60 1dqj h TRP 123 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1dqj h TRP 123 Cb 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1dqj h TRP 123 CO 0.00 0.27 -0.15 0.44 -3.56 0.00 0.00 178.44 175.44 1dqj n ILE 124 N -3.80 0.00 -2.17 1.49 -5.35 -0.86 -4.86 119.36 103.81 1dqj n ILE 124 Ca -0.01 -0.43 -0.41 0.00 -0.27 0.00 0.00 62.75 61.63 1dqj n ILE 124 Cb 0.36 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.44 1dqj n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1dqj s ARG 125 N -1.40 4.35 0.00 6.28 3.52 -0.89 -2.07 118.95 128.75 1dqj s ARG 125 Ca 0.13 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 1dqj s ARG 125 Cb 0.11 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1dqj s ARG 125 CO 0.26 -0.31 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 1dqj n GLY 126 N 2.49 3.10 3.74 8.12 0.00 -1.26 -5.00 105.19 116.37 1dqj n GLY 126 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1dqj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dqj s ARG 128 N -0.46 3.93 0.00 0.00 1.81 -1.26 -5.08 118.95 117.89 1dqj s ARG 128 Ca 0.46 -2.32 0.00 0.00 -1.72 0.00 0.00 55.73 52.15 1dqj s ARG 128 Cb -0.26 -5.00 0.00 0.00 -0.45 0.00 0.00 34.95 29.24 1dqj s ARG 128 CO 0.32 -1.76 0.02 1.47 -0.68 0.00 0.00 175.30 174.68