#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lj4 s VAL 2 N 0.00 3.29 0.35 3.15 1.01 -1.26 -1.07 120.40 125.87 1lj4 s VAL 2 Ca 0.00 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 1lj4 s VAL 2 Cb 0.00 -2.79 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 1lj4 s VAL 2 CO 0.00 -0.01 1.02 -0.36 0.00 0.00 0.00 175.10 175.75 1lj4 s PHE 3 N 1.35 3.49 0.72 5.22 0.40 -0.42 -5.02 117.98 123.71 1lj4 s PHE 3 Ca -0.02 1.71 -0.11 0.00 -0.60 0.00 0.00 56.93 57.91 1lj4 s PHE 3 Cb -0.18 -3.08 0.02 0.00 0.51 0.00 0.00 43.02 40.28 1lj4 s PHE 3 CO -0.01 -0.30 1.07 0.20 0.70 0.00 0.00 175.22 176.88 1lj4 s GLY 4 N -1.44 1.66 0.11 4.36 0.00 -1.26 -4.85 107.32 105.89 1lj4 s GLY 4 Ca 0.52 0.00 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 1lj4 s GLY 4 CO 0.29 0.33 1.72 -0.09 0.00 0.00 0.00 173.10 175.36 1lj4 h ARG 5 N -0.78 -0.01 -0.03 2.90 2.43 -1.97 -1.58 114.38 115.33 1lj4 h ARG 5 Ca -0.45 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.58 1lj4 h ARG 5 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1lj4 h ARG 5 CO 0.58 -0.01 -0.66 0.00 -1.51 0.00 0.00 179.97 178.37 1lj4 h GLU 7 N 0.10 0.88 -0.33 0.00 4.81 -1.87 -0.44 114.58 117.73 1lj4 h GLU 7 Ca -0.01 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 1lj4 h GLU 7 Cb 1.18 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1lj4 h GLU 7 CO 0.10 0.62 -0.26 1.25 -0.73 0.00 0.00 179.01 179.98 1lj4 h LEU 8 N 0.88 0.80 -0.65 1.64 5.85 -1.20 -2.04 115.31 120.59 1lj4 h LEU 8 Ca 0.23 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1lj4 h LEU 8 Cb -0.03 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 1lj4 h LEU 8 CO -0.04 1.08 0.31 0.00 -0.34 0.00 0.00 178.44 179.45 1lj4 h ALA 9 N 0.75 0.88 -0.26 1.25 0.00 -1.01 0.20 119.26 121.06 1lj4 h ALA 9 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1lj4 h ALA 9 Cb 0.83 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1lj4 h ALA 9 CO 0.07 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.37 1lj4 h ALA 10 N 1.40 0.33 -0.84 0.00 0.00 -0.97 0.61 119.26 119.78 1lj4 h ALA 10 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1lj4 h ALA 10 Cb 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1lj4 h ALA 10 CO -0.25 -0.12 0.53 0.00 0.00 0.00 0.00 179.25 179.41 1lj4 h ALA 11 N 1.00 1.07 -0.17 0.00 0.00 -0.55 0.07 119.26 120.67 1lj4 h ALA 11 Ca 0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1lj4 h ALA 11 Cb 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1lj4 h ALA 11 CO -0.01 0.51 -0.11 0.52 0.00 0.00 0.00 179.25 180.16 1lj4 h MET 12 N 1.15 0.38 -0.45 0.00 2.86 -0.38 -2.19 114.93 116.30 1lj4 h MET 12 Ca 0.31 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1lj4 h MET 12 Cb -0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1lj4 h MET 12 CO -0.06 0.70 0.30 -0.22 1.06 0.00 0.00 176.91 178.69 1lj4 h LYS 13 N 0.04 0.60 -0.16 1.72 3.64 -0.67 -0.91 116.57 120.83 1lj4 h LYS 13 Ca 0.04 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1lj4 h LYS 13 Cb 0.61 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1lj4 h LYS 13 CO 0.03 0.40 -0.20 -0.09 -2.27 0.00 0.00 179.45 177.32 1lj4 h ARG 14 N 0.61 0.28 -0.63 1.90 2.43 -0.72 -2.50 114.38 115.76 1lj4 h ARG 14 Ca 0.17 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1lj4 h ARG 14 Cb -0.07 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1lj4 h ARG 14 CO -0.04 0.48 0.00 0.72 -1.51 0.00 0.00 179.97 179.62 1lj4 n HIS 15 N -4.20 1.13 -1.76 2.20 8.25 -0.40 -4.94 115.22 115.50 1lj4 n HIS 15 Ca -0.01 -0.44 -0.04 0.00 -0.26 0.00 0.00 57.72 56.98 1lj4 n HIS 15 Cb 0.33 -0.22 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 1lj4 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lj4 n GLY 16 N 0.82 0.36 0.15 -1.41 0.00 -0.94 -4.97 105.19 99.19 1lj4 n GLY 16 Ca 0.18 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.51 1lj4 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1lj4 h LEU 17 N 0.00 0.00 -9.07 0.99 3.38 -1.61 -3.40 115.31 105.61 1lj4 h LEU 17 Ca -0.08 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.32 1lj4 h LEU 17 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1lj4 h LEU 17 CO 0.10 0.06 1.27 -0.62 0.09 0.00 0.00 178.44 179.34 1lj4 s ASP 18 N -5.73 6.08 0.00 -0.43 2.15 -1.26 -1.89 116.67 115.60 1lj4 s ASP 18 Ca 0.02 1.87 0.00 0.00 0.43 0.00 0.00 52.55 54.87 1lj4 s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1lj4 s ASP 18 CO 0.75 -1.46 0.00 0.59 -0.17 0.00 0.00 175.17 174.88 1lj4 n ASN 19 N 9.37 -1.98 -4.68 -0.34 5.03 0.48 -4.84 115.26 118.30 1lj4 n ASN 19 Ca 0.22 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.22 1lj4 n ASN 19 Cb 0.44 -0.99 -0.04 0.00 -1.02 0.00 0.00 39.78 38.18 1lj4 n ASN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lj4 n TYR 20 N -2.39 2.41 -2.33 3.10 9.36 -0.79 -0.21 117.16 126.32 1lj4 n TYR 20 Ca 0.00 0.04 -0.16 0.00 3.32 0.00 0.00 57.90 61.10 1lj4 n TYR 20 Cb 0.07 -2.64 -0.01 0.00 -0.63 0.00 0.00 39.34 36.12 1lj4 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1lj4 n ARG 21 N 5.17 -1.91 -0.78 2.98 5.12 -1.26 -1.54 116.66 124.43 1lj4 n ARG 21 Ca 0.19 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.92 1lj4 n ARG 21 Cb 0.32 -5.41 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 1lj4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lj4 n GLY 22 N -0.84 0.75 3.45 -0.13 0.00 0.71 -5.03 105.19 104.10 1lj4 n GLY 22 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1lj4 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lj4 s TYR 23 N -2.79 3.23 0.77 1.61 2.02 -0.59 -4.89 117.35 116.71 1lj4 s TYR 23 Ca 0.00 -0.62 -0.15 0.00 -0.37 0.00 0.00 57.07 55.94 1lj4 s TYR 23 Cb 0.00 -2.51 0.02 0.00 -0.40 0.00 0.00 41.96 39.07 1lj4 s TYR 23 CO 0.00 -0.55 0.87 -1.13 -1.57 0.00 0.00 175.55 173.17 1lj4 n SER 24 N 5.09 -0.05 -0.35 2.29 3.41 -1.26 -0.39 113.62 122.36 1lj4 n SER 24 Ca -0.12 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 1lj4 n SER 24 Cb 0.47 -1.37 0.33 0.00 -0.26 0.00 0.00 64.21 63.39 1lj4 n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1lj4 h LEU 25 N -0.60 0.77 -1.21 1.04 5.85 -1.88 -0.77 115.31 118.50 1lj4 h LEU 25 Ca -0.46 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.47 1lj4 h LEU 25 Cb 1.32 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1lj4 h LEU 25 CO 0.44 0.25 0.58 1.23 -0.34 0.00 0.00 178.44 180.60 1lj4 h GLY 26 N 0.74 1.29 0.96 3.75 0.00 -1.90 -1.10 103.07 106.81 1lj4 h GLY 26 Ca 0.59 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1lj4 h GLY 26 CO -0.40 0.17 0.43 3.43 0.00 0.00 0.00 176.54 180.17 1lj4 h ASN 27 N 0.84 0.73 -0.29 0.19 2.35 -1.37 0.16 115.58 118.18 1lj4 h ASN 27 Ca 0.43 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 56.05 1lj4 h ASN 27 Cb 0.50 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1lj4 h ASN 27 CO -0.19 0.52 -0.28 -0.50 -1.65 0.00 0.00 177.43 175.33 1lj4 h TRP 28 N 0.86 0.83 -0.59 1.19 4.06 -1.26 -0.26 115.95 120.79 1lj4 h TRP 28 Ca 0.25 -0.25 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1lj4 h TRP 28 Cb -0.06 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 1lj4 h TRP 28 CO -0.03 0.99 0.05 0.28 -3.56 0.00 0.00 178.44 176.17 1lj4 h VAL 29 N 0.44 1.26 -0.45 1.49 2.07 -1.14 -0.72 116.25 119.20 1lj4 h VAL 29 Ca 0.05 -1.04 -0.12 0.00 0.82 0.00 0.00 66.70 66.40 1lj4 h VAL 29 Cb 0.84 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1lj4 h VAL 29 CO 0.07 0.38 -0.20 0.00 0.02 0.00 0.00 177.57 177.84 1lj4 h ALA 31 N 0.85 0.58 -0.87 0.00 0.00 -0.79 -2.55 119.26 116.48 1lj4 h ALA 31 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1lj4 h ALA 31 Cb 0.77 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1lj4 h ALA 31 CO 0.06 0.13 0.48 0.00 0.00 0.00 0.00 179.25 179.93 1lj4 h ALA 32 N 1.08 1.20 -0.26 0.00 0.00 -0.95 0.41 119.26 120.73 1lj4 h ALA 32 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1lj4 h ALA 32 Cb 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1lj4 h ALA 32 CO -0.02 0.65 0.14 -0.22 0.00 0.00 0.00 179.25 179.79 1lj4 h LYS 33 N 1.22 0.37 0.00 0.00 3.11 -0.88 -2.06 116.57 118.33 1lj4 h LYS 33 Ca 0.31 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1lj4 h LYS 33 Cb 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1lj4 h LYS 33 CO -0.05 0.34 -0.56 0.74 -2.81 0.00 0.00 179.45 177.11 1lj4 h PHE 34 N 0.30 0.00 0.14 1.91 0.04 -1.32 0.12 116.94 118.13 1lj4 h PHE 34 Ca 0.09 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.60 1lj4 h PHE 34 Cb 0.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.25 1lj4 h PHE 34 CO -0.03 0.00 -1.25 0.93 -0.60 0.00 0.00 178.31 177.36 1lj4 h GLU 35 N 0.00 0.30 0.00 1.51 4.39 -0.90 -3.43 114.58 116.45 1lj4 h GLU 35 Ca 0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1lj4 h GLU 35 Cb 0.80 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1lj4 h GLU 35 CO 0.00 1.24 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 1lj4 n SER 36 N -3.95 0.05 -3.25 1.42 3.41 -0.81 -4.83 113.62 105.65 1lj4 n SER 36 Ca -0.21 -1.02 -0.23 0.00 -0.26 0.00 0.00 58.87 57.15 1lj4 n SER 36 Cb 0.90 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.88 1lj4 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1lj4 n ASN 37 N -0.01 -5.13 -1.67 4.04 5.15 0.43 -1.62 115.26 116.44 1lj4 n ASN 37 Ca 0.00 -0.38 -0.16 0.00 -0.60 0.00 0.00 54.58 53.44 1lj4 n ASN 37 Cb 0.42 -4.16 -0.03 0.00 -0.53 0.00 0.00 39.78 35.48 1lj4 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1lj4 n PHE 38 N -4.34 -0.53 -3.63 1.20 3.72 -1.18 -4.85 117.46 107.85 1lj4 n PHE 38 Ca -0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.95 1lj4 n PHE 38 Cb 0.58 -3.17 -0.11 0.00 -0.94 0.00 0.00 39.48 35.83 1lj4 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1lj4 s ASN 39 N -2.44 5.62 0.41 4.37 3.84 -0.64 -1.31 114.94 124.79 1lj4 s ASN 39 Ca 0.00 -0.73 0.29 0.00 0.21 0.00 0.00 52.86 52.63 1lj4 s ASN 39 Cb 0.00 -2.01 1.28 0.00 -0.55 0.00 0.00 41.25 39.98 1lj4 s ASN 39 CO 0.00 -0.27 1.87 0.71 -2.79 0.00 0.00 177.10 176.61 1lj4 h THR 40 N 5.76 0.00 -0.02 -5.21 1.35 -1.42 -2.48 112.91 110.88 1lj4 h THR 40 Ca -0.29 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1lj4 h THR 40 Cb 1.13 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1lj4 h THR 40 CO 0.64 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.88 1lj4 n GLN 41 N -2.62 1.98 -1.69 4.72 1.13 -1.26 -4.12 117.38 115.51 1lj4 n GLN 41 Ca 0.01 -1.48 -0.44 0.00 -1.94 0.00 0.00 57.00 53.16 1lj4 n GLN 41 Cb 0.22 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 1lj4 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lj4 n ALA 42 N 0.78 1.49 -3.08 -1.58 0.00 -0.94 -4.76 120.51 112.42 1lj4 n ALA 42 Ca 0.16 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1lj4 n ALA 42 Cb 0.49 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 1lj4 n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1lj4 s THR 43 N -0.28 0.03 -0.09 0.00 -4.23 -1.26 -0.69 115.64 109.12 1lj4 s THR 43 Ca 0.64 -0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1lj4 s THR 43 Cb -0.60 -0.33 0.05 0.00 1.34 0.00 0.00 72.50 72.96 1lj4 s THR 43 CO 0.52 -0.13 0.11 0.21 -0.54 0.00 0.00 174.62 174.79 1lj4 s ASN 44 N -0.42 1.29 0.22 3.99 2.47 -0.80 -4.97 114.94 116.72 1lj4 s ASN 44 Ca -0.05 -0.01 -0.29 0.00 0.42 0.00 0.00 52.86 52.92 1lj4 s ASN 44 Cb -0.03 -0.00 -0.09 0.00 -1.45 0.00 0.00 41.25 39.67 1lj4 s ASN 44 CO 0.01 -0.27 0.92 -0.60 -3.72 0.00 0.00 177.10 173.43 1lj4 s ARG 45 N 2.21 4.81 0.33 0.43 3.00 -1.26 -0.30 118.95 128.16 1lj4 s ARG 45 Ca 0.04 1.44 0.07 0.00 -1.00 0.00 0.00 55.73 56.28 1lj4 s ARG 45 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 34.95 31.52 1lj4 s ARG 45 CO -0.06 0.51 0.41 -0.80 0.00 0.00 0.00 175.30 175.36 1lj4 s ASN 46 N -1.10 5.83 0.00 -2.12 0.01 0.14 -4.94 114.94 112.76 1lj4 s ASN 46 Ca 0.41 -0.24 0.28 0.00 -0.71 0.00 0.00 52.86 52.59 1lj4 s ASN 46 Cb -0.25 -1.22 1.40 0.00 0.41 0.00 0.00 41.25 41.58 1lj4 s ASN 46 CO 0.31 -0.37 1.95 0.35 -1.51 0.00 0.00 177.10 177.82 1lj4 n THR 47 N -1.55 0.10 0.39 1.60 -2.24 -1.26 -3.03 114.28 108.29 1lj4 n THR 47 Ca -0.01 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1lj4 n THR 47 Cb 0.58 -0.57 0.27 0.00 -2.10 0.00 0.00 70.33 68.51 1lj4 n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1lj4 n ASP 48 N -1.28 3.04 0.00 3.42 5.75 -1.26 -4.91 116.55 121.31 1lj4 n ASP 48 Ca 0.13 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1lj4 n ASP 48 Cb 0.21 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1lj4 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lj4 n GLY 49 N 1.42 0.72 3.95 6.12 0.00 -1.17 -4.91 105.19 111.32 1lj4 n GLY 49 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1lj4 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lj4 s SER 50 N -2.70 5.49 0.01 1.61 1.04 -1.26 -4.47 113.70 113.41 1lj4 s SER 50 Ca 0.00 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1lj4 s SER 50 Cb 0.00 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.33 1lj4 s SER 50 CO 0.00 -0.62 -0.04 -0.89 0.98 0.00 0.00 173.24 172.67 1lj4 s THR 51 N -2.35 0.32 -0.17 2.02 2.01 -1.26 0.26 115.64 116.47 1lj4 s THR 51 Ca 0.49 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 1lj4 s THR 51 Cb -0.07 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1lj4 s THR 51 CO 0.30 -0.08 0.22 -1.81 -0.69 0.00 0.00 174.62 172.56 1lj4 s ASP 52 N -0.55 6.36 -0.03 3.53 1.01 0.59 -1.28 116.67 126.30 1lj4 s ASP 52 Ca -0.03 0.42 0.07 0.00 0.71 0.00 0.00 52.55 53.72 1lj4 s ASP 52 Cb -0.04 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1lj4 s ASP 52 CO -0.00 0.16 -0.23 -0.31 0.21 0.00 0.00 175.17 175.00 1lj4 s TYR 53 N 0.24 2.41 0.05 4.23 1.51 0.24 -1.91 117.35 124.12 1lj4 s TYR 53 Ca 0.13 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1lj4 s TYR 53 Cb -0.12 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1lj4 s TYR 53 CO 0.02 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 1lj4 n GLY 54 N 2.40 -1.91 0.46 0.71 0.00 0.13 -1.18 105.19 105.80 1lj4 n GLY 54 Ca -0.16 -1.34 0.28 0.00 0.00 0.00 0.00 46.02 44.79 1lj4 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lj4 h ILE 55 N -0.18 0.57 -0.22 -0.61 2.10 -1.71 0.58 117.51 118.03 1lj4 h ILE 55 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1lj4 h ILE 55 Cb 0.18 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.46 1lj4 h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1lj4 n LEU 56 N -4.28 2.98 -3.94 2.19 4.77 -1.26 -4.01 117.00 113.45 1lj4 n LEU 56 Ca 0.18 -2.42 -0.40 0.00 -0.03 0.00 0.00 56.01 53.33 1lj4 n LEU 56 Cb 0.93 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1lj4 n LEU 56 CO 0.39 0.67 -0.14 0.00 -1.33 0.00 0.00 177.39 176.97 1lj4 n GLN 57 N -0.19 -0.70 -2.58 3.23 1.13 0.19 -4.90 117.38 113.56 1lj4 n GLN 57 Ca 0.13 0.22 -0.42 0.00 -1.94 0.00 0.00 57.00 54.99 1lj4 n GLN 57 Cb 0.56 -3.19 -0.03 0.00 0.11 0.00 0.00 30.24 27.69 1lj4 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lj4 s ILE 58 N -3.55 4.29 0.12 5.09 1.01 -0.32 -4.34 121.20 123.51 1lj4 s ILE 58 Ca 0.46 1.77 -0.30 0.00 0.00 0.00 0.00 60.65 62.57 1lj4 s ILE 58 Cb -0.22 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 1lj4 s ILE 58 CO 0.93 0.20 1.02 0.21 0.00 0.00 0.00 174.94 177.30 1lj4 s ASN 59 N 0.56 7.39 0.42 3.58 3.84 -1.26 -0.59 114.94 128.88 1lj4 s ASN 59 Ca 0.52 1.89 0.28 0.00 0.21 0.00 0.00 52.86 55.76 1lj4 s ASN 59 Cb -0.26 -2.59 0.95 0.00 -0.55 0.00 0.00 41.25 38.80 1lj4 s ASN 59 CO 0.30 -0.15 1.81 0.77 -2.79 0.00 0.00 177.10 177.04 1lj4 h SER 60 N 5.61 0.00 -0.60 -4.21 4.64 -1.43 -2.35 113.55 115.21 1lj4 h SER 60 Ca -0.43 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1lj4 h SER 60 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1lj4 h SER 60 CO 0.73 0.00 0.35 -0.09 -0.87 0.00 0.00 176.83 176.95 1lj4 h ARG 61 N 0.00 0.84 0.00 4.77 9.65 -1.84 -3.38 114.38 124.42 1lj4 h ARG 61 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1lj4 h ARG 61 Cb 0.64 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1lj4 h ARG 61 CO 0.00 0.60 -0.64 0.91 2.80 0.00 0.00 179.97 183.64 1lj4 n TRP 62 N -4.40 0.00 -0.06 2.20 8.01 -1.23 -1.58 117.44 120.39 1lj4 n TRP 62 Ca 0.06 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.19 1lj4 n TRP 62 Cb 0.09 0.00 -0.15 0.00 -2.01 0.00 0.00 31.31 29.24 1lj4 n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1lj4 n TRP 63 N -1.31 0.32 -3.98 -5.99 7.02 -0.89 -1.99 117.44 110.62 1lj4 n TRP 63 Ca 0.00 0.11 -0.09 0.00 -1.02 0.00 0.00 57.50 56.50 1lj4 n TRP 63 Cb 0.23 -0.99 -0.08 0.00 -2.42 0.00 0.00 31.31 28.05 1lj4 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lj4 s ASN 65 N -2.93 5.72 -0.03 0.00 2.47 -0.60 -4.58 114.94 114.99 1lj4 s ASN 65 Ca 0.11 -0.01 0.05 0.00 0.42 0.00 0.00 52.86 53.43 1lj4 s ASN 65 Cb 0.06 -2.03 0.08 0.00 -1.45 0.00 0.00 41.25 37.90 1lj4 s ASN 65 CO -0.06 0.03 1.02 -0.90 -3.72 0.00 0.00 177.10 173.47 1lj4 n ASP 66 N 4.51 2.00 0.00 -4.21 5.75 -1.26 -1.24 116.55 122.11 1lj4 n ASP 66 Ca -0.15 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.37 1lj4 n ASP 66 Cb 0.52 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1lj4 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lj4 n GLY 67 N -0.73 0.20 0.63 6.12 0.00 -1.26 -4.74 105.19 105.42 1lj4 n GLY 67 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1lj4 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1lj4 n ARG 68 N -2.00 0.61 -3.89 1.61 1.85 -1.26 -5.00 116.66 108.57 1lj4 n ARG 68 Ca 0.00 -2.04 -0.35 0.00 -1.00 0.00 0.00 57.85 54.46 1lj4 n ARG 68 Cb 0.00 -0.84 -0.14 0.00 -1.05 0.00 0.00 32.46 30.43 1lj4 n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1lj4 s THR 69 N -1.31 3.08 0.47 8.89 2.01 -1.26 -4.89 115.64 122.63 1lj4 s THR 69 Ca 0.23 -1.30 -0.23 0.00 0.31 0.00 0.00 61.69 60.69 1lj4 s THR 69 Cb 0.23 -2.74 -0.08 0.00 0.01 0.00 0.00 72.50 69.91 1lj4 s THR 69 CO -0.04 -0.08 1.18 -0.81 -0.69 0.00 0.00 174.62 174.18 1lj4 n PRO 70 N 4.65 1.59 -3.08 4.92 -0.04 -1.26 -2.34 135.00 139.44 1lj4 n PRO 70 Ca -0.13 0.58 -0.19 0.00 -0.04 0.00 0.00 63.50 63.71 1lj4 n PRO 70 Cb 0.44 -2.31 -0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1lj4 n PRO 70 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lj4 n GLY 71 N 0.96 -0.49 3.84 0.55 0.00 -1.26 -4.92 105.19 103.88 1lj4 n GLY 71 Ca 0.09 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1lj4 n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lj4 s SER 72 N -2.51 6.80 0.34 1.61 1.04 -0.99 -4.95 113.70 115.05 1lj4 s SER 72 Ca 0.28 1.35 0.09 0.00 0.48 0.00 0.00 55.95 58.14 1lj4 s SER 72 Cb -0.15 -2.40 -0.05 0.00 0.10 0.00 0.00 66.02 63.52 1lj4 s SER 72 CO 0.34 -0.24 0.04 -0.60 0.98 0.00 0.00 173.24 173.76 1lj4 s ARG 73 N -3.03 2.14 -0.47 4.02 3.52 -0.61 -5.00 118.95 119.52 1lj4 s ARG 73 Ca 0.55 -1.71 0.08 0.00 -0.13 0.00 0.00 55.73 54.53 1lj4 s ARG 73 Cb -0.10 -1.98 0.30 0.00 -1.56 0.00 0.00 34.95 31.61 1lj4 s ARG 73 CO 0.17 0.13 0.71 -1.71 -0.81 0.00 0.00 175.30 173.79 1lj4 n ASN 74 N -0.99 1.94 0.30 -2.12 5.15 -1.24 -3.95 115.26 114.35 1lj4 n ASN 74 Ca -0.04 -3.14 0.16 0.00 -0.60 0.00 0.00 54.58 50.96 1lj4 n ASN 74 Cb 0.62 -0.62 0.92 0.00 -0.53 0.00 0.00 39.78 40.17 1lj4 n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1lj4 h LEU 75 N 3.53 0.00 -1.50 1.20 3.38 -1.50 -0.17 115.31 120.25 1lj4 h LEU 75 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1lj4 h LEU 75 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1lj4 h LEU 75 CO 0.62 0.03 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1lj4 n ASN 77 N 0.80 -0.99 -3.67 0.00 2.85 -0.08 -4.99 115.26 109.18 1lj4 n ASN 77 Ca 0.17 -0.89 -0.12 0.00 -0.11 0.00 0.00 54.58 53.63 1lj4 n ASN 77 Cb 0.48 -3.69 -0.06 0.00 1.24 0.00 0.00 39.78 37.75 1lj4 n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1lj4 s ILE 78 N -3.76 0.07 0.28 -1.44 -5.25 -1.26 -5.08 121.20 104.76 1lj4 s ILE 78 Ca 0.03 -0.54 -0.29 0.00 -0.99 0.00 0.00 60.65 58.86 1lj4 s ILE 78 Cb -0.02 -1.02 -0.09 0.00 2.95 0.00 0.00 42.46 44.28 1lj4 s ILE 78 CO 0.84 -0.30 1.04 -2.16 -1.79 0.00 0.00 174.94 172.57 1lj4 s PRO 79 N -2.88 4.67 0.55 0.37 0.04 -1.26 -1.55 135.00 134.94 1lj4 s PRO 79 Ca -0.03 1.66 0.25 0.00 0.04 0.00 0.00 61.00 62.92 1lj4 s PRO 79 Cb 0.00 -3.15 1.44 0.00 0.04 0.00 0.00 34.50 32.83 1lj4 s PRO 79 CO -0.05 0.29 2.02 0.00 0.04 0.00 0.00 177.00 179.29 1lj4 h SER 81 N 0.00 0.00 0.76 0.00 4.64 -1.90 0.15 113.55 117.19 1lj4 h SER 81 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1lj4 h SER 81 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1lj4 h SER 81 CO -0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1lj4 h ALA 82 N 1.96 1.00 -0.03 5.18 0.00 -1.28 -1.77 119.26 124.33 1lj4 h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lj4 h ALA 82 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1lj4 h ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1lj4 n LEU 83 N -2.92 0.72 -0.99 0.00 4.77 0.04 -3.51 117.00 115.11 1lj4 n LEU 83 Ca 0.00 -0.26 0.08 0.00 -0.03 0.00 0.00 56.01 55.80 1lj4 n LEU 83 Cb 0.24 -0.02 0.25 0.00 -2.33 0.00 0.00 43.42 41.57 1lj4 n LEU 83 CO 0.24 0.13 0.71 0.18 -1.33 0.00 0.00 177.39 177.32 1lj4 n LEU 84 N -0.40 3.85 -4.90 2.23 4.77 -0.66 -3.75 117.00 118.14 1lj4 n LEU 84 Ca 0.20 -2.59 -0.28 0.00 -0.03 0.00 0.00 56.01 53.30 1lj4 n LEU 84 Cb 0.21 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1lj4 n LEU 84 CO 0.16 0.71 0.60 -0.94 -1.33 0.00 0.00 177.39 176.59 1lj4 s SER 85 N -1.40 5.67 0.42 -1.43 1.04 -1.23 -4.51 113.70 112.27 1lj4 s SER 85 Ca 0.38 0.92 0.27 0.00 0.48 0.00 0.00 55.95 58.01 1lj4 s SER 85 Cb 0.27 -1.89 0.87 0.00 0.10 0.00 0.00 66.02 65.37 1lj4 s SER 85 CO 0.14 -1.08 1.78 0.28 0.98 0.00 0.00 173.24 175.35 1lj4 h SER 86 N -0.29 0.00 -3.44 7.02 0.02 -1.93 -3.41 113.55 111.52 1lj4 h SER 86 Ca -0.45 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 59.90 1lj4 h SER 86 Cb 1.24 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.69 1lj4 h SER 86 CO 0.62 0.00 -0.01 -0.62 -1.14 0.00 0.00 176.83 175.68 1lj4 s ASP 87 N -5.50 6.62 0.00 3.07 -1.08 -1.26 -4.96 116.67 113.56 1lj4 s ASP 87 Ca 0.05 0.74 0.28 0.00 -0.52 0.00 0.00 52.55 53.10 1lj4 s ASP 87 Cb 0.08 -2.31 1.14 0.00 -1.46 0.00 0.00 42.92 40.37 1lj4 s ASP 87 CO 0.57 -0.18 1.79 2.30 0.52 0.00 0.00 175.17 180.18 1lj4 n ILE 88 N 4.47 0.00 -0.27 4.11 -5.35 -1.26 -4.45 119.36 116.61 1lj4 n ILE 88 Ca -0.04 -0.21 -0.05 0.00 -0.27 0.00 0.00 62.75 62.18 1lj4 n ILE 88 Cb 0.50 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 1lj4 n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1lj4 h THR 89 N 2.02 0.08 -0.26 7.28 2.02 -1.95 0.07 112.91 122.18 1lj4 h THR 89 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1lj4 h THR 89 Cb 0.44 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1lj4 h THR 89 CO 0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1lj4 h ALA 90 N 1.01 0.15 -0.86 6.16 0.00 -1.86 -1.03 119.26 122.83 1lj4 h ALA 90 Ca 0.25 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1lj4 h ALA 90 Cb 0.56 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1lj4 h ALA 90 CO -0.80 -0.48 0.50 0.77 0.00 0.00 0.00 179.25 179.24 1lj4 h SER 91 N -0.02 1.04 -0.16 0.00 0.02 -1.56 -1.61 113.55 111.26 1lj4 h SER 91 Ca 0.13 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1lj4 h SER 91 Cb 0.22 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1lj4 h SER 91 CO -0.28 0.81 0.04 0.58 -1.14 0.00 0.00 176.83 176.84 1lj4 h VAL 92 N 1.18 1.21 -0.43 2.27 2.07 -0.55 0.31 116.25 122.31 1lj4 h VAL 92 Ca 0.31 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1lj4 h VAL 92 Cb -0.02 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1lj4 h VAL 92 CO -0.05 0.20 0.09 0.78 0.02 0.00 0.00 177.57 178.60 1lj4 h ASN 93 N 0.06 0.59 -0.13 0.57 2.35 -1.05 0.11 115.58 118.08 1lj4 h ASN 93 Ca 0.05 -0.09 -0.22 0.00 -0.55 0.00 0.00 56.30 55.49 1lj4 h ASN 93 Cb 0.27 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1lj4 h ASN 93 CO 0.00 0.60 -0.77 0.00 -1.65 0.00 0.00 177.43 175.61 1lj4 h ALA 95 N 0.52 1.41 -0.59 0.00 0.00 0.27 -1.10 119.26 119.76 1lj4 h ALA 95 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lj4 h ALA 95 Cb 1.41 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1lj4 h ALA 95 CO 0.16 0.54 0.39 0.87 0.00 0.00 0.00 179.25 181.21 1lj4 h LYS 96 N 1.10 0.78 -0.13 0.00 1.57 -0.75 -0.69 116.57 118.45 1lj4 h LYS 96 Ca 0.30 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.87 1lj4 h LYS 96 Cb -0.12 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.03 1lj4 h LYS 96 CO -0.06 0.52 -0.54 -0.22 -0.57 0.00 0.00 179.45 178.58 1lj4 h LYS 97 N 0.80 0.60 -0.47 3.15 3.64 -1.17 -3.21 116.57 119.91 1lj4 h LYS 97 Ca 0.22 -0.47 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1lj4 h LYS 97 Cb -0.09 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1lj4 h LYS 97 CO -0.05 1.09 0.29 0.82 -2.27 0.00 0.00 179.45 179.33 1lj4 h ILE 98 N 0.25 1.14 0.00 2.00 2.04 -0.81 -2.14 117.51 119.99 1lj4 h ILE 98 Ca -0.03 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1lj4 h ILE 98 Cb 1.17 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1lj4 h ILE 98 CO 0.11 0.14 0.00 1.62 0.00 0.00 0.00 178.15 180.03 1lj4 h VAL 99 N 0.63 0.00 -0.57 1.67 3.04 -1.21 -0.50 116.25 119.31 1lj4 h VAL 99 Ca 0.17 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1lj4 h VAL 99 Cb -0.02 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1lj4 h VAL 99 CO -0.03 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.33 1lj4 n SER 100 N -2.53 4.50 -1.09 3.17 7.64 -0.82 -3.74 113.62 120.75 1lj4 n SER 100 Ca -0.00 -2.48 0.04 0.00 1.01 0.00 0.00 58.87 57.45 1lj4 n SER 100 Cb 0.15 -0.54 0.20 0.00 -1.01 0.00 0.00 64.21 63.01 1lj4 n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1lj4 n ASP 101 N 0.87 3.10 0.00 6.43 2.03 -0.20 -4.89 116.55 123.89 1lj4 n ASP 101 Ca 0.24 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 53.19 1lj4 n ASP 101 Cb 0.85 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1lj4 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lj4 n GLY 102 N 0.53 0.88 0.00 0.27 0.00 -1.26 -4.94 105.19 100.68 1lj4 n GLY 102 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1lj4 n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1lj4 n ASN 103 N 0.00 0.29 0.00 1.61 3.02 -1.26 -5.12 115.26 113.79 1lj4 n ASN 103 Ca 0.00 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 1lj4 n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1lj4 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lj4 n GLY 104 N -0.07 1.44 0.00 7.41 0.00 -1.24 -1.23 105.19 111.49 1lj4 n GLY 104 Ca 0.00 -0.53 0.11 0.00 0.00 0.00 0.00 46.02 45.60 1lj4 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1lj4 n MET 105 N 3.61 0.95 0.12 1.61 2.81 -1.26 -3.36 117.12 121.59 1lj4 n MET 105 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.98 1lj4 n MET 105 Cb 0.00 -1.36 0.45 0.00 -0.71 0.00 0.00 33.22 31.60 1lj4 n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1lj4 n ASN 106 N -0.86 0.47 0.29 7.83 3.02 -0.36 -1.71 115.26 123.94 1lj4 n ASN 106 Ca 0.17 0.67 0.14 0.00 -0.03 0.00 0.00 54.58 55.53 1lj4 n ASN 106 Cb 0.08 -0.75 0.87 0.00 -0.61 0.00 0.00 39.78 39.36 1lj4 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lj4 h ALA 107 N 2.14 1.57 -2.68 5.41 0.00 -1.68 -3.37 119.26 120.65 1lj4 h ALA 107 Ca 0.00 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1lj4 h ALA 107 Cb 0.15 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.71 1lj4 h ALA 107 CO 0.00 0.01 -0.48 -1.58 0.00 0.00 0.00 179.25 177.20 1lj4 s TRP 108 N -4.66 3.23 0.31 0.00 0.51 -0.69 -4.97 118.94 112.67 1lj4 s TRP 108 Ca -0.05 -0.67 -0.01 0.00 -2.12 0.00 0.00 56.10 53.26 1lj4 s TRP 108 Cb 0.15 -2.50 0.48 0.00 -0.81 0.00 0.00 33.47 30.79 1lj4 s TRP 108 CO 0.57 -0.57 1.92 -0.24 -0.51 0.00 0.00 176.95 178.12 1lj4 h VAL 109 N 5.70 1.20 -0.31 4.03 3.04 -1.86 -1.93 116.25 126.14 1lj4 h VAL 109 Ca -0.28 -0.54 -0.08 0.00 -1.01 0.00 0.00 66.70 64.80 1lj4 h VAL 109 Cb 1.12 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1lj4 h VAL 109 CO 0.68 0.23 -0.14 0.00 -1.01 0.00 0.00 177.57 177.34 1lj4 h ALA 110 N 1.46 1.19 -0.47 3.17 0.00 -1.93 0.68 119.26 123.36 1lj4 h ALA 110 Ca 0.23 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1lj4 h ALA 110 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1lj4 h ALA 110 CO -0.03 0.52 -0.07 2.35 0.00 0.00 0.00 179.25 182.01 1lj4 h TRP 111 N 0.49 0.98 -0.24 0.00 7.01 -1.69 0.06 115.95 122.55 1lj4 h TRP 111 Ca 0.09 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 60.88 1lj4 h TRP 111 Cb 0.53 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1lj4 h TRP 111 CO 0.02 0.95 0.10 -0.09 -2.79 0.00 0.00 178.44 176.62 1lj4 h ARG 112 N 0.73 0.36 -0.02 2.65 1.12 -0.91 0.29 114.38 118.59 1lj4 h ARG 112 Ca 0.13 -0.06 -0.16 0.00 -1.11 0.00 0.00 59.98 58.77 1lj4 h ARG 112 Cb 0.60 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1lj4 h ARG 112 CO 0.04 0.40 -0.73 -0.91 -3.11 0.00 0.00 179.97 175.66 1lj4 h ASN 113 N 0.24 0.19 0.00 -3.80 2.35 -0.79 -3.36 115.58 110.41 1lj4 h ASN 113 Ca 0.08 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1lj4 h ASN 113 Cb 0.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1lj4 h ASN 113 CO -0.01 0.85 0.00 0.54 -1.65 0.00 0.00 177.43 177.16 1lj4 n ARG 114 N -3.75 -0.50 0.00 0.81 1.74 0.00 -4.87 116.66 110.09 1lj4 n ARG 114 Ca -0.02 -0.39 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 1lj4 n ARG 114 Cb 0.70 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.26 1lj4 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lj4 n LYS 116 N -2.18 2.18 -0.60 0.00 4.81 0.11 -1.68 118.16 120.79 1lj4 n LYS 116 Ca 0.00 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1lj4 n LYS 116 Cb 0.41 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1lj4 n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lj4 n GLY 117 N 3.38 1.35 3.99 3.14 0.00 -1.26 -4.99 105.19 110.81 1lj4 n GLY 117 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1lj4 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lj4 s THR 118 N -3.16 2.29 -1.31 2.61 -4.23 -0.67 -4.99 115.64 106.18 1lj4 s THR 118 Ca 0.00 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.69 1lj4 s THR 118 Cb 0.00 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.33 1lj4 s THR 118 CO 0.00 0.00 1.78 -0.67 -0.54 0.00 0.00 174.62 175.19 1lj4 n ASP 119 N -2.61 4.82 0.16 3.99 2.03 -1.26 -4.79 116.55 118.89 1lj4 n ASP 119 Ca 0.13 -2.95 0.12 0.00 0.52 0.00 0.00 54.79 52.62 1lj4 n ASP 119 Cb 0.60 -1.65 0.59 0.00 -0.72 0.00 0.00 41.12 39.94 1lj4 n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1lj4 h VAL 120 N 4.75 0.00 0.00 5.18 -1.51 -1.92 -2.78 116.25 119.98 1lj4 h VAL 120 Ca 0.43 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.76 1lj4 h VAL 120 Cb 0.79 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1lj4 h VAL 120 CO 1.51 0.00 -0.06 -0.61 -1.23 0.00 0.00 177.57 177.18 1lj4 h GLN 121 N 0.00 0.00 0.00 5.19 4.15 -1.90 -2.03 115.11 120.52 1lj4 h GLN 121 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1lj4 h GLN 121 Cb 0.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1lj4 h GLN 121 CO 0.00 0.06 -0.05 0.00 -1.93 0.00 0.00 178.83 176.91 1lj4 h ALA 122 N 1.94 1.14 0.00 3.38 0.00 -1.90 -2.01 119.26 121.81 1lj4 h ALA 122 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1lj4 h ALA 122 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lj4 h ALA 122 CO 0.01 0.07 0.00 0.91 0.00 0.00 0.00 179.25 180.24 1lj4 n TRP 123 N -3.36 0.00 0.27 0.00 7.02 -0.76 -2.58 117.44 118.03 1lj4 n TRP 123 Ca -0.02 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.52 1lj4 n TRP 123 Cb 0.20 -0.33 0.09 0.00 -2.42 0.00 0.00 31.31 28.86 1lj4 n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1lj4 n ILE 124 N -1.33 0.33 -1.86 -0.99 -0.00 -0.75 -4.87 119.36 109.89 1lj4 n ILE 124 Ca 0.10 -0.67 -0.41 0.00 -0.00 0.00 0.00 62.75 61.77 1lj4 n ILE 124 Cb 0.19 1.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.82 1lj4 n ILE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1lj4 s ARG 125 N -1.00 4.16 0.00 0.38 1.70 -1.06 -2.46 118.95 120.67 1lj4 s ARG 125 Ca 0.18 2.49 0.00 0.00 -0.47 0.00 0.00 55.73 57.93 1lj4 s ARG 125 Cb 0.11 -3.01 0.00 0.00 -0.57 0.00 0.00 34.95 31.48 1lj4 s ARG 125 CO 0.16 -0.49 0.00 0.41 -1.08 0.00 0.00 175.30 174.29 1lj4 n GLY 126 N 1.06 1.77 3.70 3.88 0.00 -1.26 -4.96 105.19 109.37 1lj4 n GLY 126 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1lj4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj4 s ARG 128 N 1.24 3.79 0.00 0.00 3.00 -1.26 -5.12 118.95 120.61 1lj4 s ARG 128 Ca 0.35 -2.23 0.28 0.00 0.00 0.00 0.00 55.73 54.13 1lj4 s ARG 128 Cb -0.17 -4.86 1.06 0.00 0.00 0.00 0.00 34.95 30.98 1lj4 s ARG 128 CO 0.15 -1.65 1.75 1.28 0.00 0.00 0.00 175.30 176.83