#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqj s VAL 2 N 0.00 3.56 0.57 3.15 1.01 -1.26 -0.72 120.40 126.72 2dqj s VAL 2 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 2dqj s VAL 2 Cb 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2dqj s VAL 2 CO 0.00 -0.13 1.06 -0.36 0.00 0.00 0.00 175.10 175.67 2dqj s PHE 3 N 1.37 2.94 0.47 5.22 0.40 -0.25 -4.99 117.98 123.14 2dqj s PHE 3 Ca -0.02 1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 57.78 2dqj s PHE 3 Cb -0.19 -3.05 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 2dqj s PHE 3 CO 0.02 -1.14 0.79 0.20 0.70 0.00 0.00 175.22 175.79 2dqj s GLY 4 N -2.53 1.56 0.11 4.36 0.00 -1.26 -4.84 107.32 104.72 2dqj s GLY 4 Ca 0.65 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.65 2dqj s GLY 4 CO 0.33 -0.29 1.65 -0.09 0.00 0.00 0.00 173.10 174.70 2dqj h ARG 5 N 0.34 -0.42 -0.18 2.90 2.43 -1.96 -1.00 114.38 116.48 2dqj h ARG 5 Ca -0.47 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.64 2dqj h ARG 5 Cb 1.20 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 2dqj h ARG 5 CO 0.62 -0.28 -0.29 0.00 -1.51 0.00 0.00 179.97 178.51 2dqj h GLU 7 N 0.31 0.82 -0.19 0.00 4.81 -1.85 -1.42 114.58 117.06 2dqj h GLU 7 Ca 0.04 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 2dqj h GLU 7 Cb 0.67 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2dqj h GLU 7 CO 0.05 0.64 -0.60 1.25 -0.73 0.00 0.00 179.01 179.61 2dqj h LEU 8 N 0.80 0.73 -0.51 1.64 5.85 -0.97 -1.98 115.31 120.87 2dqj h LEU 8 Ca 0.21 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2dqj h LEU 8 Cb 0.06 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2dqj h LEU 8 CO -0.03 1.16 0.32 0.00 -0.34 0.00 0.00 178.44 179.56 2dqj h ALA 9 N 0.84 0.65 -0.64 1.25 0.00 -1.04 0.18 119.26 120.50 2dqj h ALA 9 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2dqj h ALA 9 Cb 1.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2dqj h ALA 9 CO 0.12 0.06 0.06 0.00 0.00 0.00 0.00 179.25 179.49 2dqj h ALA 10 N 1.20 0.89 -0.34 0.00 0.00 -1.19 -1.69 119.26 118.14 2dqj h ALA 10 Ca 0.19 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2dqj h ALA 10 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2dqj h ALA 10 CO -0.06 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.88 2dqj h ALA 11 N 1.05 0.45 -0.04 0.00 0.00 -0.87 -1.85 119.26 118.00 2dqj h ALA 11 Ca 0.19 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2dqj h ALA 11 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dqj h ALA 11 CO 0.02 0.19 -0.26 0.52 0.00 0.00 0.00 179.25 179.72 2dqj h MET 12 N 0.39 0.07 -0.39 0.00 2.86 -0.54 0.13 114.93 117.46 2dqj h MET 12 Ca 0.10 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.56 2dqj h MET 12 Cb 0.41 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 2dqj h MET 12 CO 0.01 0.33 -0.36 -0.22 1.06 0.00 0.00 176.91 177.73 2dqj h LYS 13 N 0.06 0.92 -0.20 1.72 3.64 -1.11 -0.28 116.57 121.33 2dqj h LYS 13 Ca 0.01 -0.47 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 2dqj h LYS 13 Cb 0.50 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2dqj h LYS 13 CO 0.04 1.12 -0.17 -0.09 -2.27 0.00 0.00 179.45 178.08 2dqj h ARG 14 N 0.75 0.34 -0.84 1.90 2.43 -0.65 -2.06 114.38 116.24 2dqj h ARG 14 Ca 0.07 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2dqj h ARG 14 Cb 0.95 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2dqj h ARG 14 CO 0.09 0.50 0.04 0.72 -1.51 0.00 0.00 179.97 179.81 2dqj n HIS 15 N -4.21 0.99 -2.93 2.20 8.25 -0.03 -4.92 115.22 114.58 2dqj n HIS 15 Ca -0.00 -0.43 -0.19 0.00 -0.26 0.00 0.00 57.72 56.84 2dqj n HIS 15 Cb 0.32 -0.32 0.03 0.00 1.12 0.00 0.00 29.99 31.14 2dqj n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dqj n GLY 16 N 0.21 -0.31 1.25 -1.41 0.00 -0.78 -4.93 105.19 99.22 2dqj n GLY 16 Ca 0.14 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2dqj n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dqj n LEU 17 N -3.46 3.81 -4.51 0.99 4.77 -0.16 -4.51 117.00 113.94 2dqj n LEU 17 Ca -0.09 -1.99 -0.43 0.00 -0.03 0.00 0.00 56.01 53.47 2dqj n LEU 17 Cb 0.60 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 2dqj n LEU 17 CO 0.40 0.95 0.71 -0.62 -1.33 0.00 0.00 177.39 177.51 2dqj s ASP 18 N -1.01 6.30 -0.47 -1.43 -1.08 -1.26 -3.80 116.67 113.93 2dqj s ASP 18 Ca 0.45 -0.49 -0.01 0.00 -0.52 0.00 0.00 52.55 51.98 2dqj s ASP 18 Cb 0.24 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 2dqj s ASP 18 CO 0.31 -1.23 0.13 -3.20 0.52 0.00 0.00 175.17 171.70 2dqj n ASN 19 N 7.38 -2.76 -4.68 -0.34 5.15 -0.86 -4.88 115.26 114.29 2dqj n ASN 19 Ca 0.00 -0.06 -0.42 0.00 -0.60 0.00 0.00 54.58 53.49 2dqj n ASN 19 Cb 0.47 -1.80 -0.03 0.00 -0.53 0.00 0.00 39.78 37.89 2dqj n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2dqj s TYR 20 N -2.60 3.45 -1.56 1.20 5.04 -1.11 -3.92 117.35 117.85 2dqj s TYR 20 Ca 0.06 1.52 -0.07 0.00 -2.44 0.00 0.00 57.07 56.15 2dqj s TYR 20 Cb -0.03 -3.19 0.06 0.00 0.35 0.00 0.00 41.96 39.15 2dqj s TYR 20 CO 0.08 -0.30 0.43 0.54 -1.34 0.00 0.00 175.55 174.96 2dqj n ARG 21 N 5.42 -2.51 -0.98 4.97 5.12 -1.26 -1.63 116.66 125.80 2dqj n ARG 21 Ca 0.09 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 2dqj n ARG 21 Cb 0.48 -4.47 0.00 0.00 -1.16 0.00 0.00 32.46 27.31 2dqj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dqj n GLY 22 N -1.90 0.77 3.35 -0.13 0.00 -1.25 -5.02 105.19 101.00 2dqj n GLY 22 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2dqj n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dqj s TYR 23 N -3.05 3.12 0.73 1.61 2.02 -0.65 -5.01 117.35 116.13 2dqj s TYR 23 Ca 0.00 -0.92 -0.14 0.00 -0.37 0.00 0.00 57.07 55.65 2dqj s TYR 23 Cb 0.00 -2.23 0.04 0.00 -0.40 0.00 0.00 41.96 39.37 2dqj s TYR 23 CO 0.00 -0.55 1.14 -1.54 -1.57 0.00 0.00 175.55 173.04 2dqj s SER 24 N 1.51 4.45 0.28 2.29 1.04 -1.26 -2.02 113.70 119.98 2dqj s SER 24 Ca 0.03 2.12 0.02 0.00 0.48 0.00 0.00 55.95 58.60 2dqj s SER 24 Cb -0.17 -2.56 0.64 0.00 0.10 0.00 0.00 66.02 64.04 2dqj s SER 24 CO 0.02 -2.08 1.72 0.25 0.98 0.00 0.00 173.24 174.13 2dqj h LEU 25 N -0.48 0.39 -1.94 2.42 5.85 -1.90 -1.62 115.31 118.04 2dqj h LEU 25 Ca -0.46 0.13 0.19 0.00 0.84 0.00 0.00 57.88 58.58 2dqj h LEU 25 Cb 1.26 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2dqj h LEU 25 CO 0.51 0.08 0.48 1.23 -0.34 0.00 0.00 178.44 180.39 2dqj h GLY 26 N 0.47 0.11 1.00 3.75 0.00 -1.91 -1.31 103.07 105.19 2dqj h GLY 26 Ca 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2dqj h GLY 26 CO -0.47 0.01 0.37 3.43 0.00 0.00 0.00 176.54 179.88 2dqj h ASN 27 N 0.06 0.66 -0.12 0.19 2.35 -1.52 -0.95 115.58 116.25 2dqj h ASN 27 Ca 0.32 -0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.87 2dqj h ASN 27 Cb 1.21 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 2dqj h ASN 27 CO -0.02 0.48 -0.56 -0.50 -1.65 0.00 0.00 177.43 175.18 2dqj h TRP 28 N 0.77 0.90 -0.31 1.19 4.06 -1.38 -0.38 115.95 120.79 2dqj h TRP 28 Ca 0.21 -0.32 -0.08 0.00 2.06 0.00 0.00 58.89 60.76 2dqj h TRP 28 Cb -0.08 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 2dqj h TRP 28 CO -0.03 1.10 -0.10 0.28 -3.56 0.00 0.00 178.44 176.13 2dqj h VAL 29 N 0.54 1.29 -0.45 1.49 2.07 -1.39 -1.50 116.25 118.30 2dqj h VAL 29 Ca 0.01 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2dqj h VAL 29 Cb 1.13 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2dqj h VAL 29 CO 0.11 0.38 0.23 0.00 0.02 0.00 0.00 177.57 178.31 2dqj h ALA 31 N 1.08 0.54 -0.80 0.00 0.00 -0.95 -2.04 119.26 117.09 2dqj h ALA 31 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2dqj h ALA 31 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2dqj h ALA 31 CO -0.02 -0.11 0.47 0.00 0.00 0.00 0.00 179.25 179.59 2dqj h ALA 32 N 1.21 1.02 -0.11 0.00 0.00 -0.99 0.11 119.26 120.50 2dqj h ALA 32 Ca 0.18 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2dqj h ALA 32 Cb 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2dqj h ALA 32 CO -0.11 0.50 -0.04 -0.22 0.00 0.00 0.00 179.25 179.38 2dqj h LYS 33 N 1.10 -0.02 0.00 0.00 1.63 -0.68 -1.22 116.57 117.38 2dqj h LYS 33 Ca 0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 2dqj h LYS 33 Cb -0.03 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2dqj h LYS 33 CO -0.05 -0.01 -0.48 0.74 -3.45 0.00 0.00 179.45 176.19 2dqj h PHE 34 N -0.02 0.00 0.12 1.91 0.04 -1.20 -0.35 116.94 117.43 2dqj h PHE 34 Ca 0.06 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.56 2dqj h PHE 34 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2dqj h PHE 34 CO -0.17 0.00 -1.33 0.93 -0.60 0.00 0.00 178.31 177.15 2dqj h GLU 35 N 0.00 0.26 0.00 1.51 4.39 -0.70 -3.43 114.58 116.61 2dqj h GLU 35 Ca 0.00 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2dqj h GLU 35 Cb 0.83 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2dqj h GLU 35 CO 0.00 1.21 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 2dqj n SER 36 N -3.95 0.29 -3.59 1.42 3.41 -0.54 -4.82 113.62 105.84 2dqj n SER 36 Ca -0.23 -1.04 -0.24 0.00 -0.26 0.00 0.00 58.87 57.09 2dqj n SER 36 Cb 0.89 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.92 2dqj n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2dqj n ASN 37 N -0.02 -6.28 -0.42 4.04 5.15 -0.14 -2.20 115.26 115.39 2dqj n ASN 37 Ca 0.00 -0.54 -0.05 0.00 -0.60 0.00 0.00 54.58 53.38 2dqj n ASN 37 Cb 0.23 -4.95 -0.02 0.00 -0.53 0.00 0.00 39.78 34.51 2dqj n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2dqj n PHE 38 N -4.97 0.00 -3.30 1.20 3.72 -1.13 -4.84 117.46 108.14 2dqj n PHE 38 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2dqj n PHE 38 Cb 0.56 -1.84 -0.08 0.00 -0.94 0.00 0.00 39.48 37.18 2dqj n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2dqj s ASN 39 N -2.32 6.25 0.58 4.37 2.47 -0.94 -1.09 114.94 124.27 2dqj s ASN 39 Ca 0.00 -0.18 0.36 0.00 0.42 0.00 0.00 52.86 53.47 2dqj s ASN 39 Cb 0.00 -2.24 1.62 0.00 -1.45 0.00 0.00 41.25 39.18 2dqj s ASN 39 CO 0.00 -0.45 2.08 0.71 -3.72 0.00 0.00 177.10 175.72 2dqj h THR 40 N 5.60 0.00 -0.21 -5.21 1.35 -1.25 -2.85 112.91 110.34 2dqj h THR 40 Ca -0.28 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2dqj h THR 40 Cb 1.13 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2dqj h THR 40 CO 0.75 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.02 2dqj n GLN 41 N -3.09 2.26 -1.75 4.72 1.13 -1.26 -3.92 117.38 115.46 2dqj n GLN 41 Ca -0.00 -1.87 -0.42 0.00 -1.94 0.00 0.00 57.00 52.77 2dqj n GLN 41 Cb 0.25 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 2dqj n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dqj s ALA 42 N -1.75 3.77 0.02 -1.58 0.00 -1.08 -4.77 121.76 116.36 2dqj s ALA 42 Ca 0.34 1.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.90 2dqj s ALA 42 Cb 0.21 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2dqj s ALA 42 CO 0.31 -1.01 -0.02 0.95 0.00 0.00 0.00 175.76 175.99 2dqj s THR 43 N 0.05 0.09 -0.17 0.00 -4.23 -1.26 -0.90 115.64 109.21 2dqj s THR 43 Ca 0.64 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 60.39 2dqj s THR 43 Cb -0.48 -0.21 0.08 0.00 1.34 0.00 0.00 72.50 73.22 2dqj s THR 43 CO 0.48 -0.40 0.23 0.21 -0.54 0.00 0.00 174.62 174.60 2dqj s ASN 44 N -1.16 0.97 0.10 3.99 2.47 -0.71 -4.96 114.94 115.62 2dqj s ASN 44 Ca -0.13 0.09 -0.30 0.00 0.42 0.00 0.00 52.86 52.94 2dqj s ASN 44 Cb -0.08 0.49 -0.06 0.00 -1.45 0.00 0.00 41.25 40.16 2dqj s ASN 44 CO -0.01 -0.29 1.08 -0.60 -3.72 0.00 0.00 177.10 173.56 2dqj s ARG 45 N 2.36 4.56 0.32 0.43 3.52 -1.26 -0.78 118.95 128.09 2dqj s ARG 45 Ca 0.05 1.62 0.06 0.00 -0.13 0.00 0.00 55.73 57.34 2dqj s ARG 45 Cb -0.14 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.88 2dqj s ARG 45 CO -0.11 -0.02 0.44 -0.80 -0.81 0.00 0.00 175.30 174.00 2dqj s ASN 46 N 0.47 5.97 0.29 -2.12 0.01 0.18 -4.97 114.94 114.78 2dqj s ASN 46 Ca 0.52 -0.17 -0.01 0.00 -0.71 0.00 0.00 52.86 52.49 2dqj s ASN 46 Cb -0.27 -1.30 0.43 0.00 0.41 0.00 0.00 41.25 40.52 2dqj s ASN 46 CO 0.31 -0.37 1.90 0.71 -1.51 0.00 0.00 177.10 178.14 2dqj h THR 47 N 0.96 1.21 0.00 1.60 1.35 -1.97 -2.23 112.91 113.84 2dqj h THR 47 Ca -0.47 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2dqj h THR 47 Cb 1.25 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2dqj h THR 47 CO 0.54 0.25 0.00 -0.90 -0.25 0.00 0.00 175.52 175.16 2dqj n ASP 48 N -4.35 0.00 0.00 5.36 5.75 -1.26 -4.79 116.55 117.26 2dqj n ASP 48 Ca 0.06 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 2dqj n ASP 48 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2dqj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dqj n GLY 49 N 0.11 1.73 3.90 6.12 0.00 -0.84 -4.75 105.19 111.46 2dqj n GLY 49 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2dqj n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqj s SER 50 N -2.88 5.14 0.02 1.61 1.04 -1.26 -4.62 113.70 112.76 2dqj s SER 50 Ca 0.00 0.89 0.03 0.00 0.48 0.00 0.00 55.95 57.35 2dqj s SER 50 Cb 0.00 -1.62 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 2dqj s SER 50 CO 0.00 -1.48 -0.09 -0.89 0.98 0.00 0.00 173.24 171.76 2dqj s THR 51 N -3.35 0.69 -0.19 2.02 2.01 -1.26 0.50 115.64 116.06 2dqj s THR 51 Ca 0.59 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.75 2dqj s THR 51 Cb -0.11 -0.65 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 2dqj s THR 51 CO 0.49 -0.06 0.18 -1.81 -0.69 0.00 0.00 174.62 172.73 2dqj s ASP 52 N -0.87 6.27 0.01 3.53 1.01 0.03 -0.92 116.67 125.73 2dqj s ASP 52 Ca -0.02 0.30 0.08 0.00 0.71 0.00 0.00 52.55 53.62 2dqj s ASP 52 Cb -0.06 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 2dqj s ASP 52 CO 0.00 0.15 -0.23 -0.31 0.21 0.00 0.00 175.17 174.99 2dqj s TYR 53 N 0.44 2.43 0.01 4.23 1.51 0.51 -1.74 117.35 124.74 2dqj s TYR 53 Ca 0.10 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 2dqj s TYR 53 Cb -0.12 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 2dqj s TYR 53 CO 0.00 0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 2dqj n GLY 54 N 2.04 -2.08 0.30 0.71 0.00 -0.08 -0.81 105.19 105.27 2dqj n GLY 54 Ca -0.16 -1.43 0.14 0.00 0.00 0.00 0.00 46.02 44.57 2dqj n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2dqj h ILE 55 N -0.04 0.60 -0.20 -0.61 2.10 -1.68 -1.54 117.51 116.14 2dqj h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2dqj h ILE 55 Cb 0.04 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 2dqj h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 2dqj n LEU 56 N -3.96 3.15 -4.03 2.19 4.77 -1.26 -4.06 117.00 113.79 2dqj n LEU 56 Ca -0.02 -2.66 -0.43 0.00 -0.03 0.00 0.00 56.01 52.87 2dqj n LEU 56 Cb 0.11 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 2dqj n LEU 56 CO 0.29 0.68 -0.18 0.00 -1.33 0.00 0.00 177.39 176.84 2dqj n GLN 57 N -0.42 -0.46 -2.72 3.23 1.13 -0.58 -4.89 117.38 112.68 2dqj n GLN 57 Ca 0.15 0.18 -0.42 0.00 -1.94 0.00 0.00 57.00 54.97 2dqj n GLN 57 Cb 0.65 -2.33 -0.03 0.00 0.11 0.00 0.00 30.24 28.64 2dqj n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dqj s ILE 58 N -3.44 4.86 0.25 5.09 1.01 0.01 -4.40 121.20 124.57 2dqj s ILE 58 Ca 0.39 2.03 -0.30 0.00 0.00 0.00 0.00 60.65 62.78 2dqj s ILE 58 Cb -0.22 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 37.85 2dqj s ILE 58 CO 0.95 0.13 1.08 0.21 0.00 0.00 0.00 174.94 177.30 2dqj s ASN 59 N 1.02 7.32 0.00 3.58 2.47 -1.26 -0.36 114.94 127.71 2dqj s ASN 59 Ca 0.51 2.18 0.29 0.00 0.42 0.00 0.00 52.86 56.26 2dqj s ASN 59 Cb -0.20 -2.62 1.34 0.00 -1.45 0.00 0.00 41.25 38.32 2dqj s ASN 59 CO 0.25 -0.12 1.97 -1.54 -3.72 0.00 0.00 177.10 173.94 2dqj n SER 60 N 1.53 0.00 0.04 -4.21 3.41 -0.10 -1.73 113.62 112.56 2dqj n SER 60 Ca -0.00 0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 2dqj n SER 60 Cb 0.45 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 2dqj n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dqj h ARG 61 N 0.00 0.08 0.00 4.33 2.43 -1.84 -3.41 114.38 115.96 2dqj h ARG 61 Ca 0.00 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 2dqj h ARG 61 Cb 0.41 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2dqj h ARG 61 CO 0.00 0.88 -1.39 0.91 -1.51 0.00 0.00 179.97 178.86 2dqj n TRP 62 N -3.29 0.00 -0.11 2.20 7.02 -1.24 -1.42 117.44 120.61 2dqj n TRP 62 Ca -0.10 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.20 2dqj n TRP 62 Cb 1.01 -0.28 -0.09 0.00 -2.42 0.00 0.00 31.31 29.53 2dqj n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2dqj n TRP 63 N -2.36 0.00 -4.36 -5.99 7.02 -0.70 -0.26 117.44 110.79 2dqj n TRP 63 Ca -0.10 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.19 2dqj n TRP 63 Cb 0.67 -0.79 -0.10 0.00 -2.42 0.00 0.00 31.31 28.66 2dqj n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dqj s ASN 65 N -3.33 5.24 0.00 0.00 2.47 -0.41 -4.40 114.94 114.50 2dqj s ASN 65 Ca 0.24 -0.24 0.08 0.00 0.42 0.00 0.00 52.86 53.36 2dqj s ASN 65 Cb 0.01 -1.94 0.16 0.00 -1.45 0.00 0.00 41.25 38.02 2dqj s ASN 65 CO 0.08 -0.06 1.01 -0.90 -3.72 0.00 0.00 177.10 173.50 2dqj n ASP 66 N 4.94 2.26 -0.51 -4.21 5.75 -1.26 -1.40 116.55 122.12 2dqj n ASP 66 Ca -0.16 -1.72 -0.07 0.00 -0.01 0.00 0.00 54.79 52.83 2dqj n ASP 66 Cb 0.51 -0.10 -0.03 0.00 -1.03 0.00 0.00 41.12 40.47 2dqj n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dqj n GLY 67 N 0.34 0.69 0.21 6.12 0.00 -1.26 -4.79 105.19 106.50 2dqj n GLY 67 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2dqj n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dqj n ARG 68 N -0.60 0.75 -4.57 1.61 1.74 -1.26 -5.05 116.66 109.29 2dqj n ARG 68 Ca -0.07 -1.37 -0.33 0.00 -0.77 0.00 0.00 57.85 55.32 2dqj n ARG 68 Cb 0.49 -0.83 -0.16 0.00 -1.02 0.00 0.00 32.46 30.95 2dqj n ARG 68 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dqj s THR 69 N -0.88 2.18 0.00 0.55 2.01 -1.26 -4.85 115.64 113.39 2dqj s THR 69 Ca 0.08 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.15 2dqj s THR 69 Cb 0.07 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.70 2dqj s THR 69 CO 0.01 0.54 0.00 -2.65 -0.69 0.00 0.00 174.62 171.83 2dqj n PRO 70 N 4.14 0.00 -1.01 4.92 -0.02 -1.26 -2.94 135.00 138.83 2dqj n PRO 70 Ca -0.20 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.12 2dqj n PRO 70 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.86 2dqj n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dqj n GLY 71 N 0.00 3.14 3.78 -1.23 0.00 -1.26 -4.94 105.19 104.67 2dqj n GLY 71 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 2dqj n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dqj s SER 72 N 2.10 6.41 -0.02 1.61 0.15 -1.15 -4.83 113.70 117.97 2dqj s SER 72 Ca 0.64 3.00 0.07 0.00 0.70 0.00 0.00 55.95 60.36 2dqj s SER 72 Cb 0.28 -2.66 -0.11 0.00 -1.71 0.00 0.00 66.02 61.82 2dqj s SER 72 CO -0.01 -0.83 0.14 0.54 1.20 0.00 0.00 173.24 174.28 2dqj n ARG 73 N 0.58 0.50 -3.88 5.44 1.74 -0.51 -5.01 116.66 115.52 2dqj n ARG 73 Ca 0.01 -0.06 -0.27 0.00 -0.77 0.00 0.00 57.85 56.77 2dqj n ARG 73 Cb 0.39 -1.17 -0.00 0.00 -1.02 0.00 0.00 32.46 30.67 2dqj n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2dqj n ASN 74 N -1.79 -1.41 0.24 0.55 4.05 -1.20 -4.85 115.26 110.84 2dqj n ASN 74 Ca -0.02 -1.00 0.13 0.00 0.45 0.00 0.00 54.58 54.14 2dqj n ASN 74 Cb 0.24 -3.17 0.77 0.00 1.23 0.00 0.00 39.78 38.85 2dqj n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2dqj h LEU 75 N -1.87 0.00 -0.94 1.20 3.38 -0.57 -0.71 115.31 115.80 2dqj h LEU 75 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2dqj h LEU 75 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2dqj h LEU 75 CO 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 2dqj n ASN 77 N 0.11 -2.26 -3.70 0.00 3.02 -0.28 -4.96 115.26 107.18 2dqj n ASN 77 Ca 0.18 -1.09 -0.14 0.00 -0.03 0.00 0.00 54.58 53.50 2dqj n ASN 77 Cb 0.36 -2.78 -0.08 0.00 -0.61 0.00 0.00 39.78 36.67 2dqj n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2dqj s ILE 78 N -3.79 0.04 0.18 2.41 1.10 -1.26 -5.08 121.20 114.79 2dqj s ILE 78 Ca 0.22 -0.29 -0.30 0.00 -0.51 0.00 0.00 60.65 59.77 2dqj s ILE 78 Cb -0.09 -0.69 -0.08 0.00 0.15 0.00 0.00 42.46 41.75 2dqj s ILE 78 CO 0.91 -0.16 1.01 -2.16 -2.11 0.00 0.00 174.94 172.42 2dqj s PRO 79 N -1.01 4.71 0.56 3.50 0.04 -1.26 -1.29 135.00 140.25 2dqj s PRO 79 Ca -0.11 1.57 0.26 0.00 0.04 0.00 0.00 61.00 62.77 2dqj s PRO 79 Cb -0.04 -3.30 1.50 0.00 0.04 0.00 0.00 34.50 32.69 2dqj s PRO 79 CO 0.05 0.26 2.03 0.00 0.04 0.00 0.00 177.00 179.38 2dqj h SER 81 N 0.00 0.56 0.36 0.00 4.64 -1.92 -0.34 113.55 116.85 2dqj h SER 81 Ca 0.17 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2dqj h SER 81 Cb 0.77 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2dqj h SER 81 CO -0.00 0.39 -0.00 0.00 -0.87 0.00 0.00 176.83 176.34 2dqj h ALA 82 N 1.67 1.01 -0.17 5.18 0.00 -1.56 -1.16 119.26 124.23 2dqj h ALA 82 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dqj h ALA 82 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2dqj h ALA 82 CO -0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 2dqj n LEU 83 N -3.09 1.57 -0.78 0.00 4.77 -0.14 -3.75 117.00 115.57 2dqj n LEU 83 Ca -0.02 -0.67 0.07 0.00 -0.03 0.00 0.00 56.01 55.36 2dqj n LEU 83 Cb 0.15 -0.11 0.20 0.00 -2.33 0.00 0.00 43.42 41.34 2dqj n LEU 83 CO 0.23 0.33 0.67 0.18 -1.33 0.00 0.00 177.39 177.47 2dqj n LEU 84 N 0.26 3.34 -4.89 2.23 4.32 -0.44 -3.56 117.00 118.27 2dqj n LEU 84 Ca 0.16 -2.34 -0.29 0.00 -0.02 0.00 0.00 56.01 53.51 2dqj n LEU 84 Cb 0.31 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 2dqj n LEU 84 CO 0.12 0.72 0.60 -0.55 -1.22 0.00 0.00 177.39 177.06 2dqj s SER 85 N -1.28 6.26 0.18 -1.43 0.15 -1.25 -4.50 113.70 111.82 2dqj s SER 85 Ca 0.31 1.21 0.25 0.00 0.70 0.00 0.00 55.95 58.42 2dqj s SER 85 Cb 0.20 -2.37 0.91 0.00 -1.71 0.00 0.00 66.02 63.05 2dqj s SER 85 CO 0.14 -0.73 1.76 -1.20 1.20 0.00 0.00 173.24 174.41 2dqj n SER 86 N -2.50 0.60 -4.58 5.45 7.64 -1.26 -4.49 113.62 114.48 2dqj n SER 86 Ca 0.04 0.59 -0.41 0.00 1.01 0.00 0.00 58.87 60.09 2dqj n SER 86 Cb 0.54 -0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 62.94 2dqj n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqj s ASP 87 N -4.12 6.44 0.00 6.43 -1.08 -1.26 -4.96 116.67 118.13 2dqj s ASP 87 Ca 0.09 0.23 0.20 0.00 -0.52 0.00 0.00 52.55 52.56 2dqj s ASP 87 Cb 0.12 -2.33 1.21 0.00 -1.46 0.00 0.00 42.92 40.47 2dqj s ASP 87 CO 0.50 -0.55 1.74 2.30 0.52 0.00 0.00 175.17 179.68 2dqj n ILE 88 N 5.52 0.00 -0.16 4.11 -5.35 -1.26 -4.40 119.36 117.82 2dqj n ILE 88 Ca -0.01 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.35 2dqj n ILE 88 Cb 0.49 -0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 37.94 2dqj n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2dqj h THR 89 N 0.00 0.04 -0.82 7.28 2.02 -1.94 -0.68 112.91 118.82 2dqj h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2dqj h THR 89 Cb 0.00 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.42 2dqj h THR 89 CO 0.00 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.25 2dqj h ALA 90 N 0.22 1.09 -0.66 6.16 0.00 -1.83 -0.96 119.26 123.29 2dqj h ALA 90 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2dqj h ALA 90 Cb 0.58 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2dqj h ALA 90 CO -0.62 0.66 0.19 0.77 0.00 0.00 0.00 179.25 180.25 2dqj h SER 91 N 1.18 0.97 -0.35 0.00 0.02 -1.70 -1.22 113.55 112.45 2dqj h SER 91 Ca 0.28 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2dqj h SER 91 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2dqj h SER 91 CO -0.03 0.93 -0.01 0.58 -1.14 0.00 0.00 176.83 177.16 2dqj h VAL 92 N 0.96 1.26 -0.62 2.27 2.07 -0.89 0.30 116.25 121.61 2dqj h VAL 92 Ca 0.21 -1.00 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2dqj h VAL 92 Cb 0.32 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2dqj h VAL 92 CO -0.00 0.33 0.37 0.78 0.02 0.00 0.00 177.57 179.07 2dqj h ASN 93 N 0.43 0.59 -0.29 0.57 2.35 -0.93 -0.70 115.58 117.59 2dqj h ASN 93 Ca 0.10 0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 2dqj h ASN 93 Cb 0.48 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2dqj h ASN 93 CO 0.02 0.41 -0.52 0.00 -1.65 0.00 0.00 177.43 175.68 2dqj h ALA 95 N 0.71 1.64 -0.29 0.00 0.00 -0.51 -0.83 119.26 119.99 2dqj h ALA 95 Ca 0.02 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2dqj h ALA 95 Cb 1.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2dqj h ALA 95 CO 0.12 0.32 -0.21 0.87 0.00 0.00 0.00 179.25 180.35 2dqj h LYS 96 N 0.62 0.54 -0.17 0.00 1.57 -1.00 -0.87 116.57 117.26 2dqj h LYS 96 Ca 0.16 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 2dqj h LYS 96 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2dqj h LYS 96 CO -0.03 0.72 -0.53 -0.22 -0.57 0.00 0.00 179.45 178.82 2dqj h LYS 97 N 0.48 0.66 0.03 3.15 3.64 -1.16 -2.77 116.57 120.60 2dqj h LYS 97 Ca 0.07 -0.48 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 2dqj h LYS 97 Cb 0.64 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 2dqj h LYS 97 CO 0.05 1.10 -0.16 0.82 -2.27 0.00 0.00 179.45 178.99 2dqj h ILE 98 N 0.34 0.61 0.00 2.00 2.04 -0.94 -2.06 117.51 119.50 2dqj h ILE 98 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2dqj h ILE 98 Cb 1.15 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2dqj h ILE 98 CO 0.11 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.81 2dqj n VAL 99 N -5.29 0.96 1.90 1.67 3.14 -0.35 -2.22 118.33 118.14 2dqj n VAL 99 Ca -0.05 0.31 0.13 0.00 -2.96 0.00 0.00 64.34 61.76 2dqj n VAL 99 Cb 0.21 -1.20 0.72 0.00 -1.06 0.00 0.00 33.84 32.51 2dqj n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2dqj n SER 100 N -2.00 0.24 -4.91 6.55 7.64 -0.77 -4.08 113.62 116.28 2dqj n SER 100 Ca 0.02 -1.25 -0.27 0.00 1.01 0.00 0.00 58.87 58.37 2dqj n SER 100 Cb 0.18 -0.01 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 2dqj n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dqj s ASP 101 N -1.81 6.36 0.62 6.43 2.15 -0.94 -4.96 116.67 124.52 2dqj s ASP 101 Ca 0.38 0.76 0.30 0.00 0.43 0.00 0.00 52.55 54.42 2dqj s ASP 101 Cb 0.18 -2.17 1.59 0.00 -0.30 0.00 0.00 42.92 42.22 2dqj s ASP 101 CO 0.30 -0.36 1.95 1.23 -0.17 0.00 0.00 175.17 178.12 2dqj h GLY 102 N 0.96 0.00 2.00 2.66 0.00 -1.89 0.26 103.07 107.07 2dqj h GLY 102 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2dqj h GLY 102 CO 0.63 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.87 2dqj n ASN 103 N -3.37 0.57 0.00 0.19 3.02 -1.26 -4.98 115.26 109.43 2dqj n ASN 103 Ca 0.03 0.58 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 2dqj n ASN 103 Cb 0.48 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2dqj n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dqj n GLY 104 N 0.83 2.42 0.00 7.41 0.00 0.08 -1.73 105.19 114.20 2dqj n GLY 104 Ca 0.05 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 45.86 2dqj n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dqj n MET 105 N 14.00 0.61 0.00 1.61 2.81 -1.26 -3.15 117.12 131.75 2dqj n MET 105 Ca 0.00 0.02 0.04 0.00 -1.81 0.00 0.00 57.70 55.95 2dqj n MET 105 Cb 0.00 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 31.22 2dqj n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2dqj n ASN 106 N -1.08 0.00 0.24 7.83 3.02 -0.70 -1.34 115.26 123.22 2dqj n ASN 106 Ca 0.16 0.27 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 2dqj n ASN 106 Cb 0.11 -0.36 0.58 0.00 -0.61 0.00 0.00 39.78 39.50 2dqj n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dqj h ALA 107 N 2.37 1.13 -2.26 5.41 0.00 -1.72 -3.39 119.26 120.81 2dqj h ALA 107 Ca 0.00 -0.17 -0.71 0.00 0.00 0.00 0.00 54.91 54.03 2dqj h ALA 107 Cb 0.10 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.66 2dqj h ALA 107 CO 0.00 0.23 -0.18 -1.58 0.00 0.00 0.00 179.25 177.72 2dqj s TRP 108 N -3.89 3.16 0.22 0.00 0.51 -0.45 -4.95 118.94 113.54 2dqj s TRP 108 Ca -0.01 -0.67 -0.09 0.00 -2.12 0.00 0.00 56.10 53.22 2dqj s TRP 108 Cb 0.12 -3.21 0.22 0.00 -0.81 0.00 0.00 33.47 29.79 2dqj s TRP 108 CO 0.61 -0.85 1.86 0.28 -0.51 0.00 0.00 176.95 178.35 2dqj h VAL 109 N 5.78 1.11 -0.57 4.03 2.07 -1.85 -1.11 116.25 125.70 2dqj h VAL 109 Ca -0.28 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 2dqj h VAL 109 Cb 1.11 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2dqj h VAL 109 CO 0.88 0.17 0.18 0.00 0.02 0.00 0.00 177.57 178.83 2dqj h ALA 110 N 1.33 0.75 -0.52 1.67 0.00 -1.92 -0.52 119.26 120.05 2dqj h ALA 110 Ca 0.31 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dqj h ALA 110 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2dqj h ALA 110 CO -0.12 0.41 0.33 2.35 0.00 0.00 0.00 179.25 182.23 2dqj h TRP 111 N 0.80 0.66 -0.84 0.00 7.01 -1.74 0.28 115.95 122.13 2dqj h TRP 111 Ca 0.19 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 2dqj h TRP 111 Cb 0.28 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 2dqj h TRP 111 CO 0.02 0.44 0.41 -0.09 -2.79 0.00 0.00 178.44 176.42 2dqj h ARG 112 N 0.70 1.20 0.00 2.65 2.43 -0.89 0.42 114.38 120.88 2dqj h ARG 112 Ca 0.19 -0.17 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 2dqj h ARG 112 Cb -0.05 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 2dqj h ARG 112 CO -0.04 0.92 -1.10 -0.91 -1.51 0.00 0.00 179.97 177.33 2dqj h ASN 113 N 1.19 0.00 0.00 -3.80 -0.26 -0.71 -3.38 115.58 108.62 2dqj h ASN 113 Ca 0.29 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 2dqj h ASN 113 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 2dqj h ASN 113 CO -0.04 0.88 -0.10 0.54 -1.06 0.00 0.00 177.43 177.65 2dqj n ARG 114 N -3.23 6.35 -0.02 0.81 5.12 0.94 -4.90 116.66 121.73 2dqj n ARG 114 Ca -0.04 -0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.85 2dqj n ARG 114 Cb 0.92 -0.56 -0.01 0.00 -1.16 0.00 0.00 32.46 31.65 2dqj n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dqj n LYS 116 N -2.89 2.51 -0.37 0.00 4.81 -0.03 -1.19 118.16 120.99 2dqj n LYS 116 Ca -0.07 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 2dqj n LYS 116 Cb 0.56 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.84 2dqj n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dqj n GLY 117 N 4.07 0.89 3.88 3.14 0.00 -1.26 -4.93 105.19 110.96 2dqj n GLY 117 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2dqj n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dqj s THR 118 N -2.85 2.58 -1.25 2.61 -4.23 -0.34 -5.01 115.64 107.16 2dqj s THR 118 Ca 0.00 -1.36 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 2dqj s THR 118 Cb 0.00 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 2dqj s THR 118 CO 0.00 0.00 1.94 -0.67 -0.54 0.00 0.00 174.62 175.35 2dqj n ASP 119 N -1.56 3.95 0.25 3.99 2.03 -1.26 -4.76 116.55 119.19 2dqj n ASP 119 Ca 0.03 -2.82 0.13 0.00 0.52 0.00 0.00 54.79 52.65 2dqj n ASP 119 Cb 0.62 -1.63 0.79 0.00 -0.72 0.00 0.00 41.12 40.18 2dqj n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2dqj h VAL 120 N 5.08 0.70 -0.11 5.18 -1.51 -1.90 -1.61 116.25 122.07 2dqj h VAL 120 Ca 0.44 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.94 2dqj h VAL 120 Cb 0.79 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2dqj h VAL 120 CO 1.61 0.00 0.11 -0.61 -1.23 0.00 0.00 177.57 177.45 2dqj h GLN 121 N 0.00 0.00 -0.09 5.19 5.75 -1.87 -1.01 115.11 123.07 2dqj h GLN 121 Ca 0.03 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 2dqj h GLN 121 Cb 0.15 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 2dqj h GLN 121 CO -0.00 0.00 0.09 0.00 -2.65 0.00 0.00 178.83 176.27 2dqj h ALA 122 N 1.88 1.76 0.00 3.38 0.00 -1.68 -1.78 119.26 122.81 2dqj h ALA 122 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dqj h ALA 122 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2dqj h ALA 122 CO -0.00 -0.14 0.00 0.91 0.00 0.00 0.00 179.25 180.02 2dqj n TRP 123 N -3.98 0.19 0.05 0.00 7.02 -0.38 -2.80 117.44 117.53 2dqj n TRP 123 Ca -0.01 0.07 0.01 0.00 -1.02 0.00 0.00 57.50 56.55 2dqj n TRP 123 Cb 0.20 -0.61 0.01 0.00 -2.42 0.00 0.00 31.31 28.48 2dqj n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2dqj n ILE 124 N -1.67 0.10 -2.52 -0.99 -5.35 -0.69 -4.82 119.36 103.43 2dqj n ILE 124 Ca 0.04 -0.55 -0.35 0.00 -0.27 0.00 0.00 62.75 61.62 2dqj n ILE 124 Cb 0.22 0.98 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 2dqj n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2dqj s ARG 125 N -0.21 3.95 -0.77 6.28 3.52 -1.12 -3.53 118.95 127.06 2dqj s ARG 125 Ca 0.02 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 57.09 2dqj s ARG 125 Cb 0.01 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 2dqj s ARG 125 CO 0.02 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 2dqj n GLY 126 N 0.08 0.34 3.27 8.12 0.00 -1.26 -5.03 105.19 110.71 2dqj n GLY 126 Ca 0.07 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 2dqj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqj s ARG 128 N -1.33 3.49 0.00 0.00 1.81 -1.26 -5.14 118.95 116.52 2dqj s ARG 128 Ca 0.08 0.01 0.10 0.00 -1.72 0.00 0.00 55.73 54.20 2dqj s ARG 128 Cb -0.09 -3.91 0.08 0.00 -0.45 0.00 0.00 34.95 30.58 2dqj s ARG 128 CO 0.02 -1.08 0.82 1.28 -0.68 0.00 0.00 175.30 175.66