#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj3 s VAL 2 N 0.00 3.35 0.49 3.15 1.01 -1.26 -1.15 120.40 125.98 1lj3 s VAL 2 Ca 0.00 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1lj3 s VAL 2 Cb 0.00 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.72 1lj3 s VAL 2 CO 0.00 0.34 0.96 -0.36 0.00 0.00 0.00 175.10 176.04 1lj3 s PHE 3 N 1.45 3.43 0.48 5.22 0.40 -0.60 -5.02 117.98 123.36 1lj3 s PHE 3 Ca 0.04 1.44 -0.09 0.00 -0.60 0.00 0.00 56.93 57.73 1lj3 s PHE 3 Cb -0.15 -2.76 -0.05 0.00 0.51 0.00 0.00 43.02 40.57 1lj3 s PHE 3 CO -0.03 -0.31 0.84 0.20 0.70 0.00 0.00 175.22 176.63 1lj3 s GLY 4 N -2.95 1.71 0.12 4.36 0.00 -1.26 -4.88 107.32 104.41 1lj3 s GLY 4 Ca 0.59 -0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.76 1lj3 s GLY 4 CO 0.29 -0.08 1.63 -0.09 0.00 0.00 0.00 173.10 174.84 1lj3 h ARG 5 N 0.51 -0.43 -0.03 2.90 2.43 -1.97 -0.89 114.38 116.90 1lj3 h ARG 5 Ca -0.46 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1lj3 h ARG 5 Cb 1.19 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1lj3 h ARG 5 CO 0.62 -0.29 -0.50 0.00 -1.51 0.00 0.00 179.97 178.29 1lj3 h GLU 7 N 0.05 0.75 -0.43 0.00 4.81 -1.85 -0.41 114.58 117.51 1lj3 h GLU 7 Ca -0.00 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.00 1lj3 h GLU 7 Cb 0.91 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1lj3 h GLU 7 CO 0.07 0.61 -0.22 1.25 -0.73 0.00 0.00 179.01 180.00 1lj3 h LEU 8 N 0.70 0.93 -0.33 1.64 5.85 -0.96 -2.12 115.31 121.01 1lj3 h LEU 8 Ca 0.18 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1lj3 h LEU 8 Cb 0.10 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1lj3 h LEU 8 CO -0.02 1.13 0.03 0.00 -0.34 0.00 0.00 178.44 179.23 1lj3 h ALA 9 N 0.83 0.32 -0.16 1.25 0.00 -0.94 0.12 119.26 120.67 1lj3 h ALA 9 Ca 0.09 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1lj3 h ALA 9 Cb 0.78 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1lj3 h ALA 9 CO 0.06 -0.38 0.01 0.00 0.00 0.00 0.00 179.25 178.95 1lj3 h ALA 10 N 1.27 0.15 -0.74 0.00 0.00 -0.97 0.71 119.26 119.68 1lj3 h ALA 10 Ca 0.16 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1lj3 h ALA 10 Cb 0.20 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1lj3 h ALA 10 CO -0.24 -0.43 0.44 0.00 0.00 0.00 0.00 179.25 179.02 1lj3 h ALA 11 N 1.13 1.00 -0.27 0.00 0.00 -0.68 0.14 119.26 120.57 1lj3 h ALA 11 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1lj3 h ALA 11 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1lj3 h ALA 11 CO -0.12 0.16 -0.11 0.52 0.00 0.00 0.00 179.25 179.71 1lj3 h MET 12 N 0.82 0.56 -0.89 0.00 2.86 -0.36 -1.85 114.93 116.06 1lj3 h MET 12 Ca 0.32 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1lj3 h MET 12 Cb 0.15 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 1lj3 h MET 12 CO -0.16 0.79 0.56 -0.22 1.06 0.00 0.00 176.91 178.94 1lj3 h LYS 13 N 0.30 1.02 -0.17 1.72 1.63 -0.47 -0.83 116.57 119.76 1lj3 h LYS 13 Ca 0.06 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1lj3 h LYS 13 Cb 0.61 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1lj3 h LYS 13 CO 0.04 0.67 -0.07 -0.09 -3.45 0.00 0.00 179.45 176.55 1lj3 h ARG 14 N 1.05 0.26 -0.65 1.90 2.43 -0.47 -2.15 114.38 116.75 1lj3 h ARG 14 Ca 0.38 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1lj3 h ARG 14 Cb 0.12 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1lj3 h ARG 14 CO -0.16 0.35 0.00 0.72 -1.51 0.00 0.00 179.97 179.37 1lj3 n HIS 15 N -4.32 1.15 -1.91 2.20 8.25 -0.38 -4.93 115.22 115.27 1lj3 n HIS 15 Ca -0.00 -0.43 -0.08 0.00 -0.26 0.00 0.00 57.72 56.94 1lj3 n HIS 15 Cb 0.23 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 1lj3 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lj3 n GLY 16 N 0.70 0.30 0.16 -1.41 0.00 -0.81 -4.96 105.19 99.17 1lj3 n GLY 16 Ca 0.18 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1lj3 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lj3 h LEU 17 N 0.00 0.00 -9.05 0.99 3.38 -1.57 -3.40 115.31 105.67 1lj3 h LEU 17 Ca -0.19 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.21 1lj3 h LEU 17 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1lj3 h LEU 17 CO 0.24 0.15 1.30 -0.62 0.09 0.00 0.00 178.44 179.60 1lj3 s ASP 18 N -5.94 5.98 -0.03 -0.43 2.15 -1.26 -1.76 116.67 115.39 1lj3 s ASP 18 Ca 0.03 1.85 0.00 0.00 0.43 0.00 0.00 52.55 54.85 1lj3 s ASP 18 Cb 0.07 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1lj3 s ASP 18 CO 0.74 -1.55 0.00 0.59 -0.17 0.00 0.00 175.17 174.78 1lj3 n ASN 19 N 9.74 -3.74 -4.69 -0.34 5.03 0.11 -4.83 115.26 116.54 1lj3 n ASN 19 Ca 0.24 0.01 -0.42 0.00 0.87 0.00 0.00 54.58 55.27 1lj3 n ASN 19 Cb 0.45 -1.26 -0.03 0.00 -1.02 0.00 0.00 39.78 37.92 1lj3 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1lj3 s TYR 20 N -1.77 2.46 -2.10 3.10 5.04 -0.72 -0.96 117.35 122.40 1lj3 s TYR 20 Ca 0.00 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1lj3 s TYR 20 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1lj3 s TYR 20 CO 0.00 -4.00 0.00 0.54 -1.34 0.00 0.00 175.55 170.75 1lj3 n ARG 21 N 5.37 -1.52 -0.75 4.97 5.12 -1.26 -1.50 116.66 127.09 1lj3 n ARG 21 Ca 0.16 1.17 0.00 0.00 -1.93 0.00 0.00 57.85 57.25 1lj3 n ARG 21 Cb 0.40 -5.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.07 1lj3 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lj3 n GLY 22 N -0.54 0.64 3.44 -0.13 0.00 -0.13 -5.03 105.19 103.43 1lj3 n GLY 22 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1lj3 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lj3 s TYR 23 N -2.10 3.23 0.81 1.61 2.02 -0.56 -4.89 117.35 117.47 1lj3 s TYR 23 Ca 0.00 -0.65 -0.13 0.00 -0.37 0.00 0.00 57.07 55.92 1lj3 s TYR 23 Cb 0.00 -2.47 0.07 0.00 -0.40 0.00 0.00 41.96 39.16 1lj3 s TYR 23 CO 0.00 -0.54 1.10 -1.13 -1.57 0.00 0.00 175.55 173.41 1lj3 n SER 24 N 5.06 0.66 -0.28 2.29 3.41 -1.26 0.05 113.62 123.54 1lj3 n SER 24 Ca -0.12 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.14 1lj3 n SER 24 Cb 0.48 -1.47 0.23 0.00 -0.26 0.00 0.00 64.21 63.19 1lj3 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1lj3 h LEU 25 N -0.91 0.36 -0.99 1.04 5.85 -1.88 -0.98 115.31 117.80 1lj3 h LEU 25 Ca -0.46 0.12 0.20 0.00 0.84 0.00 0.00 57.88 58.57 1lj3 h LEU 25 Cb 1.30 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.30 1lj3 h LEU 25 CO 0.45 0.11 0.58 1.23 -0.34 0.00 0.00 178.44 180.47 1lj3 h GLY 26 N 0.48 1.76 0.72 3.75 0.00 -1.91 -0.78 103.07 107.09 1lj3 h GLY 26 Ca 0.47 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1lj3 h GLY 26 CO -0.43 -0.10 0.29 3.43 0.00 0.00 0.00 176.54 179.73 1lj3 h ASN 27 N 0.71 0.42 -0.29 0.19 2.35 -1.40 0.05 115.58 117.62 1lj3 h ASN 27 Ca 0.58 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 56.27 1lj3 h ASN 27 Cb 0.93 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1lj3 h ASN 27 CO -0.40 0.28 -0.18 -0.50 -1.65 0.00 0.00 177.43 174.98 1lj3 h TRP 28 N 0.55 0.73 -0.66 1.19 4.06 -1.21 -0.66 115.95 119.94 1lj3 h TRP 28 Ca 0.24 -0.19 -0.04 0.00 2.06 0.00 0.00 58.89 60.96 1lj3 h TRP 28 Cb 0.14 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 1lj3 h TRP 28 CO -0.10 0.88 0.25 0.28 -3.56 0.00 0.00 178.44 176.20 1lj3 h VAL 29 N 0.37 1.24 -0.68 1.49 2.07 -1.14 -0.72 116.25 118.88 1lj3 h VAL 29 Ca 0.06 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1lj3 h VAL 29 Cb 0.71 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1lj3 h VAL 29 CO 0.05 0.30 0.19 0.00 0.02 0.00 0.00 177.57 178.13 1lj3 h ALA 31 N 1.08 0.26 -0.72 0.00 0.00 -0.76 -2.46 119.26 116.65 1lj3 h ALA 31 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1lj3 h ALA 31 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1lj3 h ALA 31 CO -0.00 -0.19 0.39 0.00 0.00 0.00 0.00 179.25 179.45 1lj3 h ALA 32 N 0.97 1.33 -0.36 0.00 0.00 -0.93 0.23 119.26 120.49 1lj3 h ALA 32 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1lj3 h ALA 32 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1lj3 h ALA 32 CO -0.01 0.55 0.13 -0.22 0.00 0.00 0.00 179.25 179.70 1lj3 h LYS 33 N 1.01 0.55 0.00 0.00 3.11 -0.93 -1.88 116.57 118.42 1lj3 h LYS 33 Ca 0.26 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1lj3 h LYS 33 Cb 0.03 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1lj3 h LYS 33 CO -0.04 0.55 -0.51 0.74 -2.81 0.00 0.00 179.45 177.38 1lj3 h PHE 34 N 0.43 0.00 0.15 1.91 0.04 -1.26 0.20 116.94 118.41 1lj3 h PHE 34 Ca 0.12 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.61 1lj3 h PHE 34 Cb 0.22 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1lj3 h PHE 34 CO 0.00 0.00 -1.37 0.93 -0.60 0.00 0.00 178.31 177.27 1lj3 h GLU 35 N 0.00 0.31 0.00 1.51 4.39 -0.93 -3.43 114.58 116.43 1lj3 h GLU 35 Ca 0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1lj3 h GLU 35 Cb 0.85 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1lj3 h GLU 35 CO 0.00 1.25 0.00 -1.13 -1.16 0.00 0.00 179.01 177.97 1lj3 n SER 36 N -3.88 0.18 -3.53 1.42 3.41 -0.75 -4.82 113.62 105.65 1lj3 n SER 36 Ca -0.22 -1.05 -0.25 0.00 -0.26 0.00 0.00 58.87 57.09 1lj3 n SER 36 Cb 0.94 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.94 1lj3 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lj3 n ASN 37 N -0.02 -5.78 -1.02 4.04 5.15 0.70 -1.94 115.26 116.38 1lj3 n ASN 37 Ca 0.00 -0.53 -0.13 0.00 -0.60 0.00 0.00 54.58 53.32 1lj3 n ASN 37 Cb 0.30 -4.60 -0.06 0.00 -0.53 0.00 0.00 39.78 34.89 1lj3 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1lj3 n PHE 38 N -4.75 0.00 -3.52 1.20 3.72 -1.17 -4.88 117.46 108.06 1lj3 n PHE 38 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 1lj3 n PHE 38 Cb 0.56 -2.58 -0.10 0.00 -0.94 0.00 0.00 39.48 36.42 1lj3 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lj3 s ASN 39 N -2.68 6.07 0.54 4.37 2.47 -0.82 -1.55 114.94 123.33 1lj3 s ASN 39 Ca 0.00 -0.44 0.35 0.00 0.42 0.00 0.00 52.86 53.18 1lj3 s ASN 39 Cb 0.00 -2.14 1.55 0.00 -1.45 0.00 0.00 41.25 39.21 1lj3 s ASN 39 CO 0.00 -0.25 2.03 0.71 -3.72 0.00 0.00 177.10 175.87 1lj3 h THR 40 N 5.50 0.00 -0.01 -5.21 1.35 -1.46 -2.64 112.91 110.44 1lj3 h THR 40 Ca -0.31 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1lj3 h THR 40 Cb 1.16 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1lj3 h THR 40 CO 0.64 0.00 -0.23 0.00 -0.25 0.00 0.00 175.52 175.68 1lj3 n GLN 41 N -2.97 0.87 -1.67 4.72 1.13 -1.26 -4.07 117.38 114.13 1lj3 n GLN 41 Ca -0.00 -0.50 -0.45 0.00 -1.94 0.00 0.00 57.00 54.12 1lj3 n GLN 41 Cb 0.24 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 1lj3 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lj3 n ALA 42 N -0.63 1.01 -3.11 -1.58 0.00 -1.00 -4.77 120.51 110.43 1lj3 n ALA 42 Ca 0.13 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 1lj3 n ALA 42 Cb 0.34 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 1lj3 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lj3 s THR 43 N -0.28 0.02 -0.06 0.00 -4.23 -1.26 -0.78 115.64 109.06 1lj3 s THR 43 Ca 0.66 -0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1lj3 s THR 43 Cb -0.65 -0.36 0.03 0.00 1.34 0.00 0.00 72.50 72.86 1lj3 s THR 43 CO 0.52 -0.11 0.05 0.21 -0.54 0.00 0.00 174.62 174.76 1lj3 s ASN 44 N -0.35 1.37 0.18 3.99 2.47 -0.74 -4.97 114.94 116.90 1lj3 s ASN 44 Ca -0.04 -0.03 -0.29 0.00 0.42 0.00 0.00 52.86 52.91 1lj3 s ASN 44 Cb -0.03 -0.22 -0.08 0.00 -1.45 0.00 0.00 41.25 39.47 1lj3 s ASN 44 CO 0.01 -0.25 0.91 -0.60 -3.72 0.00 0.00 177.10 173.45 1lj3 s ARG 45 N 2.12 4.75 0.31 0.43 3.00 -1.26 -0.63 118.95 127.66 1lj3 s ARG 45 Ca 0.05 1.41 0.06 0.00 -1.00 0.00 0.00 55.73 56.25 1lj3 s ARG 45 Cb -0.12 -3.31 -0.02 0.00 0.00 0.00 0.00 34.95 31.50 1lj3 s ARG 45 CO -0.04 0.43 0.38 -0.80 0.00 0.00 0.00 175.30 175.27 1lj3 s ASN 46 N -0.79 5.85 0.00 -2.12 0.01 0.60 -4.95 114.94 113.53 1lj3 s ASN 46 Ca 0.42 -0.21 0.29 0.00 -0.71 0.00 0.00 52.86 52.65 1lj3 s ASN 46 Cb -0.25 -1.32 1.45 0.00 0.41 0.00 0.00 41.25 41.54 1lj3 s ASN 46 CO 0.30 -0.30 2.00 0.35 -1.51 0.00 0.00 177.10 177.94 1lj3 n THR 47 N -1.49 0.06 0.89 1.60 -2.24 -1.26 -3.14 114.28 108.69 1lj3 n THR 47 Ca -0.03 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1lj3 n THR 47 Cb 0.58 -0.54 0.29 0.00 -2.10 0.00 0.00 70.33 68.57 1lj3 n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1lj3 n ASP 48 N -1.29 2.50 0.00 3.42 5.75 -1.26 -4.92 116.55 120.75 1lj3 n ASP 48 Ca 0.14 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1lj3 n ASP 48 Cb 0.23 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1lj3 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lj3 n GLY 49 N 1.30 0.22 4.01 6.12 0.00 -1.19 -4.92 105.19 110.74 1lj3 n GLY 49 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1lj3 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lj3 s SER 50 N -2.33 5.54 0.01 1.61 1.04 -1.26 -4.52 113.70 113.78 1lj3 s SER 50 Ca 0.00 -0.45 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 1lj3 s SER 50 Cb 0.00 -0.54 -0.01 0.00 0.10 0.00 0.00 66.02 65.57 1lj3 s SER 50 CO 0.00 -0.88 -0.01 -0.89 0.98 0.00 0.00 173.24 172.44 1lj3 s THR 51 N -2.44 0.04 -0.17 2.02 2.01 -1.26 -0.29 115.64 115.55 1lj3 s THR 51 Ca 0.56 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 1lj3 s THR 51 Cb -0.09 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 72.26 1lj3 s THR 51 CO 0.34 -0.20 0.22 -1.81 -0.69 0.00 0.00 174.62 172.49 1lj3 s ASP 52 N -0.57 6.35 0.01 3.53 1.01 0.19 -1.54 116.67 125.64 1lj3 s ASP 52 Ca -0.06 0.40 0.07 0.00 0.71 0.00 0.00 52.55 53.67 1lj3 s ASP 52 Cb -0.04 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 1lj3 s ASP 52 CO -0.00 0.15 -0.22 -0.31 0.21 0.00 0.00 175.17 175.00 1lj3 s TYR 53 N 0.32 2.45 0.03 4.23 1.51 0.25 -1.79 117.35 124.35 1lj3 s TYR 53 Ca 0.13 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1lj3 s TYR 53 Cb -0.12 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 1lj3 s TYR 53 CO 0.02 0.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.99 1lj3 n GLY 54 N 1.99 -2.08 0.39 0.71 0.00 0.04 -1.12 105.19 105.11 1lj3 n GLY 54 Ca -0.16 -1.43 0.21 0.00 0.00 0.00 0.00 46.02 44.64 1lj3 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lj3 h ILE 55 N -0.11 0.53 -0.13 -0.61 2.10 -1.71 -0.36 117.51 117.22 1lj3 h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1lj3 h ILE 55 Cb 0.11 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 1lj3 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1lj3 n LEU 56 N -4.02 2.83 -4.04 2.19 4.77 -1.26 -4.10 117.00 113.37 1lj3 n LEU 56 Ca 0.08 -2.69 -0.45 0.00 -0.03 0.00 0.00 56.01 52.92 1lj3 n LEU 56 Cb 0.61 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1lj3 n LEU 56 CO 0.32 0.66 -0.16 0.00 -1.33 0.00 0.00 177.39 176.88 1lj3 n GLN 57 N -0.69 -0.35 -2.63 3.23 1.13 -0.15 -4.90 117.38 113.03 1lj3 n GLN 57 Ca 0.14 0.11 -0.42 0.00 -1.94 0.00 0.00 57.00 54.90 1lj3 n GLN 57 Cb 0.61 -2.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.22 1lj3 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lj3 s ILE 58 N -3.53 4.41 0.18 5.09 1.01 -0.28 -4.42 121.20 123.67 1lj3 s ILE 58 Ca 0.49 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.71 1lj3 s ILE 58 Cb -0.26 -4.19 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 1lj3 s ILE 58 CO 0.96 0.22 1.00 0.21 0.00 0.00 0.00 174.94 177.34 1lj3 s ASN 59 N 0.50 7.46 0.38 3.58 3.84 -1.26 -0.58 114.94 128.85 1lj3 s ASN 59 Ca 0.51 1.96 0.26 0.00 0.21 0.00 0.00 52.86 55.80 1lj3 s ASN 59 Cb -0.25 -2.60 0.77 0.00 -0.55 0.00 0.00 41.25 38.62 1lj3 s ASN 59 CO 0.30 -0.05 1.75 0.77 -2.79 0.00 0.00 177.10 177.08 1lj3 h SER 60 N 4.88 0.00 -0.27 -4.21 4.64 -1.51 -2.43 113.55 114.65 1lj3 h SER 60 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1lj3 h SER 60 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1lj3 h SER 60 CO 0.70 0.00 0.07 -0.09 -0.87 0.00 0.00 176.83 176.65 1lj3 h ARG 61 N 0.00 0.52 0.00 4.77 9.65 -1.85 -3.39 114.38 124.08 1lj3 h ARG 61 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1lj3 h ARG 61 Cb 0.74 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 1lj3 h ARG 61 CO 0.00 0.49 -0.58 0.91 2.80 0.00 0.00 179.97 183.58 1lj3 n TRP 62 N -4.34 0.00 -0.07 2.20 8.01 -1.24 -1.13 117.44 120.87 1lj3 n TRP 62 Ca 0.02 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.13 1lj3 n TRP 62 Cb 0.19 0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.34 1lj3 n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1lj3 n TRP 63 N -1.32 0.26 -3.99 -5.99 7.02 -0.92 -1.97 117.44 110.53 1lj3 n TRP 63 Ca 0.00 0.09 -0.08 0.00 -1.02 0.00 0.00 57.50 56.49 1lj3 n TRP 63 Cb 0.26 -1.01 -0.10 0.00 -2.42 0.00 0.00 31.31 28.04 1lj3 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lj3 s ASN 65 N -2.34 6.17 -0.03 0.00 2.47 -0.78 -4.49 114.94 115.93 1lj3 s ASN 65 Ca -0.02 0.18 0.07 0.00 0.42 0.00 0.00 52.86 53.51 1lj3 s ASN 65 Cb 0.01 -2.17 0.18 0.00 -1.45 0.00 0.00 41.25 37.82 1lj3 s ASN 65 CO -0.06 -0.10 1.14 -0.90 -3.72 0.00 0.00 177.10 173.45 1lj3 n ASP 66 N 5.06 2.51 0.00 -4.21 5.68 -1.26 -1.59 116.55 122.74 1lj3 n ASP 66 Ca -0.11 -2.17 0.00 0.00 -0.50 0.00 0.00 54.79 52.00 1lj3 n ASP 66 Cb 0.51 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1lj3 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lj3 n GLY 67 N -0.21 0.00 0.97 6.12 0.00 -1.26 -4.74 105.19 106.07 1lj3 n GLY 67 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1lj3 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lj3 n ARG 68 N 0.95 0.00 -4.00 1.61 1.85 -1.26 -5.04 116.66 110.77 1lj3 n ARG 68 Ca 0.00 -1.46 -0.34 0.00 -1.00 0.00 0.00 57.85 55.05 1lj3 n ARG 68 Cb 0.49 -0.26 -0.15 0.00 -1.05 0.00 0.00 32.46 31.50 1lj3 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lj3 s THR 69 N 0.00 2.68 0.31 8.89 2.01 -1.26 -4.88 115.64 123.39 1lj3 s THR 69 Ca 0.16 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 1lj3 s THR 69 Cb 0.18 -2.32 -0.12 0.00 0.01 0.00 0.00 72.50 70.25 1lj3 s THR 69 CO -0.08 0.28 1.49 -2.65 -0.69 0.00 0.00 174.62 172.97 1lj3 n PRO 70 N 4.65 2.50 -4.09 4.92 -0.02 -1.26 -2.77 135.00 138.92 1lj3 n PRO 70 Ca -0.17 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 1lj3 n PRO 70 Cb 0.48 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1lj3 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lj3 n GLY 71 N 1.54 -0.44 3.86 -1.23 0.00 -1.26 -4.93 105.19 102.73 1lj3 n GLY 71 Ca 0.07 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1lj3 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lj3 s SER 72 N -3.42 6.73 0.24 1.61 1.04 -1.12 -4.94 113.70 113.84 1lj3 s SER 72 Ca 0.64 1.13 0.09 0.00 0.48 0.00 0.00 55.95 58.29 1lj3 s SER 72 Cb -0.34 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 1lj3 s SER 72 CO 0.89 -0.13 -0.05 -0.60 0.98 0.00 0.00 173.24 174.33 1lj3 s ARG 73 N -2.84 2.18 -0.56 4.02 3.52 -0.29 -4.98 118.95 119.99 1lj3 s ARG 73 Ca 0.50 -1.39 0.06 0.00 -0.13 0.00 0.00 55.73 54.77 1lj3 s ARG 73 Cb -0.11 -2.13 0.29 0.00 -1.56 0.00 0.00 34.95 31.44 1lj3 s ARG 73 CO 0.19 0.39 0.80 -1.71 -0.81 0.00 0.00 175.30 174.15 1lj3 n ASN 74 N -0.57 3.37 0.29 -2.12 5.15 -1.24 -3.75 115.26 116.39 1lj3 n ASN 74 Ca -0.08 -3.42 0.16 0.00 -0.60 0.00 0.00 54.58 50.65 1lj3 n ASN 74 Cb 0.58 -0.62 0.89 0.00 -0.53 0.00 0.00 39.78 40.10 1lj3 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lj3 h LEU 75 N 3.59 0.00 -1.02 1.20 3.38 -1.51 -1.15 115.31 119.80 1lj3 h LEU 75 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1lj3 h LEU 75 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1lj3 h LEU 75 CO 0.76 0.04 -0.23 0.00 0.09 0.00 0.00 178.44 179.10 1lj3 n ASN 77 N 0.09 -4.44 -3.83 0.00 2.85 -0.43 -5.01 115.26 104.49 1lj3 n ASN 77 Ca 0.13 -0.66 -0.10 0.00 -0.11 0.00 0.00 54.58 53.83 1lj3 n ASN 77 Cb 0.44 -4.58 -0.08 0.00 1.24 0.00 0.00 39.78 36.80 1lj3 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1lj3 s ILE 78 N -3.37 0.11 0.31 -1.44 -5.25 -1.26 -5.08 121.20 105.21 1lj3 s ILE 78 Ca 0.43 -0.88 -0.28 0.00 -0.99 0.00 0.00 60.65 58.92 1lj3 s ILE 78 Cb -0.20 -0.96 -0.09 0.00 2.95 0.00 0.00 42.46 44.16 1lj3 s ILE 78 CO 0.77 -0.49 1.04 -2.16 -1.79 0.00 0.00 174.94 172.32 1lj3 s PRO 79 N -2.71 4.56 0.55 0.37 0.04 -1.26 -1.87 135.00 134.68 1lj3 s PRO 79 Ca -0.04 1.63 0.24 0.00 0.04 0.00 0.00 61.00 62.87 1lj3 s PRO 79 Cb -0.00 -3.01 1.47 0.00 0.04 0.00 0.00 34.50 33.00 1lj3 s PRO 79 CO -0.05 0.19 2.09 0.00 0.04 0.00 0.00 177.00 179.27 1lj3 h SER 81 N 0.00 0.00 0.76 0.00 4.64 -1.91 0.39 113.55 117.44 1lj3 h SER 81 Ca 0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1lj3 h SER 81 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1lj3 h SER 81 CO -0.00 0.05 -0.19 0.00 -0.87 0.00 0.00 176.83 175.82 1lj3 h ALA 82 N 1.95 1.08 0.00 5.18 0.00 -1.50 -2.35 119.26 123.62 1lj3 h ALA 82 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1lj3 h ALA 82 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lj3 h ALA 82 CO 0.01 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1lj3 n LEU 83 N -3.44 0.00 -1.07 0.00 4.77 0.13 -3.31 117.00 114.09 1lj3 n LEU 83 Ca -0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 1lj3 n LEU 83 Cb 0.37 -0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.71 1lj3 n LEU 83 CO 0.32 -0.00 0.74 0.18 -1.33 0.00 0.00 177.39 177.30 1lj3 n LEU 84 N -1.00 4.17 -4.95 2.23 4.77 -0.88 -3.71 117.00 117.63 1lj3 n LEU 84 Ca 0.23 -3.20 -0.24 0.00 -0.03 0.00 0.00 56.01 52.77 1lj3 n LEU 84 Cb 0.11 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1lj3 n LEU 84 CO 0.18 0.81 0.39 -0.94 -1.33 0.00 0.00 177.39 176.50 1lj3 s SER 85 N -1.98 5.56 0.16 -1.43 1.04 -1.21 -4.53 113.70 111.32 1lj3 s SER 85 Ca 0.44 0.34 0.24 0.00 0.48 0.00 0.00 55.95 57.45 1lj3 s SER 85 Cb 0.37 -1.39 0.91 0.00 0.10 0.00 0.00 66.02 66.01 1lj3 s SER 85 CO 0.07 -0.97 1.74 -1.20 0.98 0.00 0.00 173.24 173.86 1lj3 n SER 86 N -2.34 0.53 -4.53 7.02 7.64 -1.26 -4.52 113.62 116.16 1lj3 n SER 86 Ca 0.04 0.58 -0.41 0.00 1.01 0.00 0.00 58.87 60.09 1lj3 n SER 86 Cb 0.58 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.97 1lj3 n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1lj3 s ASP 87 N -3.98 6.14 0.00 6.43 -1.08 -1.26 -4.97 116.67 117.95 1lj3 s ASP 87 Ca 0.09 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 52.00 1lj3 s ASP 87 Cb 0.12 -2.18 1.50 0.00 -1.46 0.00 0.00 42.92 40.90 1lj3 s ASP 87 CO 0.47 -0.34 1.95 2.30 0.52 0.00 0.00 175.17 180.07 1lj3 n ILE 88 N 5.22 0.07 -0.26 4.11 -5.35 -1.26 -4.21 119.36 117.67 1lj3 n ILE 88 Ca -0.10 0.02 -0.02 0.00 -0.27 0.00 0.00 62.75 62.38 1lj3 n ILE 88 Cb 0.49 -0.58 0.04 0.00 -1.74 0.00 0.00 39.64 37.85 1lj3 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lj3 h THR 89 N 0.00 0.15 -0.37 7.28 2.02 -1.96 0.87 112.91 120.90 1lj3 h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1lj3 h THR 89 Cb 0.12 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1lj3 h THR 89 CO 0.00 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.07 1lj3 h ALA 90 N 1.34 0.45 -0.58 6.16 0.00 -1.88 -1.35 119.26 123.40 1lj3 h ALA 90 Ca 0.31 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1lj3 h ALA 90 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1lj3 h ALA 90 CO -0.79 -0.19 0.22 0.77 0.00 0.00 0.00 179.25 179.26 1lj3 h SER 91 N 0.36 0.81 0.06 0.00 0.02 -1.51 -2.10 113.55 111.18 1lj3 h SER 91 Ca 0.16 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1lj3 h SER 91 Cb 0.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1lj3 h SER 91 CO -0.12 0.77 -0.03 0.58 -1.14 0.00 0.00 176.83 176.89 1lj3 h VAL 92 N 0.80 1.03 -0.88 2.27 2.07 -0.59 0.27 116.25 121.22 1lj3 h VAL 92 Ca 0.19 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1lj3 h VAL 92 Cb 0.22 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1lj3 h VAL 92 CO -0.01 0.08 0.58 0.78 0.02 0.00 0.00 177.57 179.02 1lj3 h ASN 93 N -0.21 0.97 -0.11 0.57 2.35 -1.22 0.21 115.58 118.14 1lj3 h ASN 93 Ca -0.01 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.53 1lj3 h ASN 93 Cb 0.19 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1lj3 h ASN 93 CO 0.01 0.68 -0.66 0.00 -1.65 0.00 0.00 177.43 175.81 1lj3 h ALA 95 N 0.72 1.20 -0.30 0.00 0.00 0.50 -1.42 119.26 119.96 1lj3 h ALA 95 Ca -0.02 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1lj3 h ALA 95 Cb 1.26 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1lj3 h ALA 95 CO 0.13 0.66 0.21 0.87 0.00 0.00 0.00 179.25 181.12 1lj3 h LYS 96 N 1.27 0.25 0.14 0.00 1.57 -0.49 -0.64 116.57 118.68 1lj3 h LYS 96 Ca 0.33 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.80 1lj3 h LYS 96 Cb -0.02 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.26 1lj3 h LYS 96 CO -0.06 0.17 -1.26 -0.22 -0.57 0.00 0.00 179.45 177.51 1lj3 h LYS 97 N 0.26 0.47 -0.24 3.15 3.64 -1.20 -3.27 116.57 119.37 1lj3 h LYS 97 Ca 0.13 -0.69 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 1lj3 h LYS 97 Cb 0.19 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1lj3 h LYS 97 CO -0.03 1.31 0.02 0.82 -2.27 0.00 0.00 179.45 179.30 1lj3 h ILE 98 N 0.18 1.24 0.00 2.00 2.04 -0.49 -2.78 117.51 119.70 1lj3 h ILE 98 Ca -0.17 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1lj3 h ILE 98 Cb 1.95 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1lj3 h ILE 98 CO 0.23 0.26 -0.02 1.62 0.00 0.00 0.00 178.15 180.24 1lj3 h VAL 99 N 0.21 0.19 -0.53 1.67 3.04 -1.28 -0.05 116.25 119.50 1lj3 h VAL 99 Ca 0.07 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1lj3 h VAL 99 Cb 0.37 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1lj3 h VAL 99 CO 0.01 0.02 0.00 -1.20 -1.01 0.00 0.00 177.57 175.39 1lj3 n SER 100 N -3.33 3.20 -0.60 3.17 7.64 -1.07 -3.49 113.62 119.14 1lj3 n SER 100 Ca -0.02 -1.97 0.02 0.00 1.01 0.00 0.00 58.87 57.90 1lj3 n SER 100 Cb 0.12 -0.35 0.08 0.00 -1.01 0.00 0.00 64.21 63.06 1lj3 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1lj3 n ASP 101 N 1.27 1.57 0.00 6.43 2.03 -0.03 -4.86 116.55 122.96 1lj3 n ASP 101 Ca 0.20 -2.12 0.00 0.00 0.52 0.00 0.00 54.79 53.39 1lj3 n ASP 101 Cb 0.52 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1lj3 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lj3 n GLY 102 N 0.39 0.82 0.00 0.27 0.00 -1.26 -4.94 105.19 100.47 1lj3 n GLY 102 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1lj3 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lj3 n ASN 103 N 0.43 0.04 0.00 1.61 3.02 -1.26 -5.13 115.26 113.97 1lj3 n ASN 103 Ca 0.00 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1lj3 n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1lj3 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lj3 n GLY 104 N -0.00 0.87 0.09 7.41 0.00 -1.23 -1.97 105.19 110.35 1lj3 n GLY 104 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.42 1lj3 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lj3 n MET 105 N 0.96 1.12 0.04 1.61 2.81 -1.26 -3.44 117.12 118.95 1lj3 n MET 105 Ca 0.00 -0.18 0.06 0.00 -1.81 0.00 0.00 57.70 55.77 1lj3 n MET 105 Cb 0.00 -1.27 0.28 0.00 -0.71 0.00 0.00 33.22 31.51 1lj3 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1lj3 n ASN 106 N -0.58 0.17 0.25 7.83 3.02 -0.83 -1.74 115.26 123.38 1lj3 n ASN 106 Ca 0.13 0.56 0.10 0.00 -0.03 0.00 0.00 54.58 55.34 1lj3 n ASN 106 Cb 0.10 -0.59 0.67 0.00 -0.61 0.00 0.00 39.78 39.35 1lj3 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lj3 h ALA 107 N 2.26 1.46 -2.51 5.41 0.00 -1.72 -3.37 119.26 120.79 1lj3 h ALA 107 Ca 0.00 -0.12 -0.72 0.00 0.00 0.00 0.00 54.91 54.07 1lj3 h ALA 107 Cb 0.17 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.72 1lj3 h ALA 107 CO 0.00 0.16 -0.42 -1.58 0.00 0.00 0.00 179.25 177.41 1lj3 s TRP 108 N -4.40 3.24 0.24 0.00 0.51 -0.71 -4.97 118.94 112.85 1lj3 s TRP 108 Ca -0.03 -0.71 -0.06 0.00 -2.12 0.00 0.00 56.10 53.17 1lj3 s TRP 108 Cb 0.14 -2.68 0.30 0.00 -0.81 0.00 0.00 33.47 30.42 1lj3 s TRP 108 CO 0.62 -0.64 1.88 -0.24 -0.51 0.00 0.00 176.95 178.06 1lj3 h VAL 109 N 5.69 1.13 -0.43 4.03 3.04 -1.85 -1.66 116.25 126.19 1lj3 h VAL 109 Ca -0.27 -0.38 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 1lj3 h VAL 109 Cb 1.12 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 1lj3 h VAL 109 CO 0.75 0.20 0.10 0.00 -1.01 0.00 0.00 177.57 177.62 1lj3 h ALA 110 N 1.38 1.38 -0.40 3.17 0.00 -1.93 0.10 119.26 122.96 1lj3 h ALA 110 Ca 0.37 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1lj3 h ALA 110 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1lj3 h ALA 110 CO -0.13 0.45 -0.02 2.35 0.00 0.00 0.00 179.25 181.89 1lj3 h TRP 111 N 0.63 0.80 -0.39 0.00 7.01 -1.64 0.01 115.95 122.37 1lj3 h TRP 111 Ca 0.14 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1lj3 h TRP 111 Cb 0.24 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 1lj3 h TRP 111 CO 0.01 0.82 0.24 -0.09 -2.79 0.00 0.00 178.44 176.63 1lj3 h ARG 112 N 0.56 0.53 0.00 2.65 1.12 -0.56 0.25 114.38 118.93 1lj3 h ARG 112 Ca 0.11 -0.05 -0.18 0.00 -1.11 0.00 0.00 59.98 58.75 1lj3 h ARG 112 Cb 0.52 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.34 1lj3 h ARG 112 CO 0.03 0.39 -0.87 -0.91 -3.11 0.00 0.00 179.97 175.49 1lj3 h ASN 113 N 0.52 0.00 0.00 -3.80 2.35 -0.72 -3.36 115.58 110.57 1lj3 h ASN 113 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1lj3 h ASN 113 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1lj3 h ASN 113 CO -0.03 0.87 0.00 0.54 -1.65 0.00 0.00 177.43 177.16 1lj3 n ARG 114 N -3.50 2.78 0.00 0.81 1.74 -0.02 -4.86 116.66 113.61 1lj3 n ARG 114 Ca -0.00 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1lj3 n ARG 114 Cb 0.83 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.56 1lj3 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lj3 n LYS 116 N -2.30 1.96 -0.81 0.00 4.81 -0.12 -1.63 118.16 120.06 1lj3 n LYS 116 Ca 0.00 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1lj3 n LYS 116 Cb 0.46 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1lj3 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lj3 n GLY 117 N 3.46 1.01 4.01 3.14 0.00 -1.26 -4.99 105.19 110.55 1lj3 n GLY 117 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1lj3 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lj3 s THR 118 N -3.40 2.12 -1.25 2.61 -4.23 -0.65 -4.99 115.64 105.85 1lj3 s THR 118 Ca 0.00 -0.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.64 1lj3 s THR 118 Cb 0.00 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 71.58 1lj3 s THR 118 CO 0.00 0.00 1.57 -0.67 -0.54 0.00 0.00 174.62 174.98 1lj3 n ASP 119 N -2.67 5.10 0.01 3.99 2.03 -1.26 -4.80 116.55 118.95 1lj3 n ASP 119 Ca 0.16 -2.97 0.05 0.00 0.52 0.00 0.00 54.79 52.55 1lj3 n ASP 119 Cb 0.61 -1.62 0.22 0.00 -0.72 0.00 0.00 41.12 39.61 1lj3 n ASP 119 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1lj3 n VAL 120 N 5.05 1.33 0.24 5.18 0.24 -1.26 -2.65 118.33 126.46 1lj3 n VAL 120 Ca 0.41 0.34 0.09 0.00 -2.04 0.00 0.00 64.34 63.14 1lj3 n VAL 120 Cb 0.43 -1.19 0.62 0.00 -1.47 0.00 0.00 33.84 32.23 1lj3 n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1lj3 h GLN 121 N 0.00 0.00 -0.02 7.34 4.15 -1.90 -2.40 115.11 122.28 1lj3 h GLN 121 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1lj3 h GLN 121 Cb 0.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1lj3 h GLN 121 CO 0.00 0.16 0.01 0.00 -1.93 0.00 0.00 178.83 177.07 1lj3 h ALA 122 N 1.84 1.97 0.00 3.38 0.00 -1.92 -1.62 119.26 122.92 1lj3 h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lj3 h ALA 122 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1lj3 h ALA 122 CO 0.02 -0.02 0.00 0.91 0.00 0.00 0.00 179.25 180.16 1lj3 n TRP 123 N -4.46 0.00 0.02 0.00 7.02 -0.90 -1.96 117.44 117.15 1lj3 n TRP 123 Ca -0.03 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.50 1lj3 n TRP 123 Cb 0.11 -0.37 0.10 0.00 -2.42 0.00 0.00 31.31 28.73 1lj3 n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1lj3 n ILE 124 N -1.37 0.69 -2.12 -0.99 -0.00 -0.61 -4.86 119.36 110.09 1lj3 n ILE 124 Ca 0.05 -0.84 -0.41 0.00 -0.00 0.00 0.00 62.75 61.55 1lj3 n ILE 124 Cb 0.13 0.72 -0.02 0.00 -0.00 0.00 0.00 39.64 40.47 1lj3 n ILE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1lj3 s ARG 125 N -0.94 4.36 0.00 0.38 1.70 -0.83 -2.61 118.95 121.01 1lj3 s ARG 125 Ca 0.18 2.20 0.00 0.00 -0.47 0.00 0.00 55.73 57.63 1lj3 s ARG 125 Cb 0.10 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.39 1lj3 s ARG 125 CO 0.13 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.55 1lj3 n GLY 126 N 1.16 1.68 3.73 3.88 0.00 -1.26 -4.96 105.19 109.42 1lj3 n GLY 126 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1lj3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj3 s ARG 128 N 0.47 3.83 0.00 0.00 3.00 -1.26 -5.12 118.95 119.86 1lj3 s ARG 128 Ca 0.37 -2.51 0.26 0.00 0.00 0.00 0.00 55.73 53.85 1lj3 s ARG 128 Cb -0.19 -4.66 0.58 0.00 0.00 0.00 0.00 34.95 30.68 1lj3 s ARG 128 CO 0.20 -1.46 1.48 1.28 0.00 0.00 0.00 175.30 176.80