#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 3.75 0.51 3.15 1.01 -1.26 -0.99 120.40 126.57 1lj3 s VAL 2 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1lj3 s VAL 2 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 1lj3 s VAL 2 CO 0.00 0.05 1.01 -0.36 0.00 0.00 0.00 175.10 175.79 1lj3 s PHE 3 N 1.45 3.24 0.44 5.22 0.40 -0.09 -5.00 117.98 123.63 1lj3 s PHE 3 Ca 0.01 1.52 -0.10 0.00 -0.60 0.00 0.00 56.93 57.77 1lj3 s PHE 3 Cb -0.18 -2.90 -0.06 0.00 0.51 0.00 0.00 43.02 40.40 1lj3 s PHE 3 CO 0.01 -0.58 0.80 0.20 0.70 0.00 0.00 175.22 176.36 1lj3 s GLY 4 N -2.67 1.84 0.11 4.36 0.00 -1.26 -4.87 107.32 104.84 1lj3 s GLY 4 Ca 0.62 -0.24 -0.28 0.00 0.00 0.00 0.00 44.72 44.82 1lj3 s GLY 4 CO 0.28 -0.04 1.62 -0.09 0.00 0.00 0.00 173.10 174.86 1lj3 h ARG 5 N 0.92 -0.51 0.00 2.90 2.43 -1.97 -0.98 114.38 117.17 1lj3 h ARG 5 Ca -0.47 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.64 1lj3 h ARG 5 Cb 1.19 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1lj3 h ARG 5 CO 0.63 -0.34 -0.48 0.00 -1.51 0.00 0.00 179.97 178.27 1lj3 h GLU 7 N 0.00 0.78 -0.31 0.00 4.81 -1.88 -0.21 114.58 117.78 1lj3 h GLU 7 Ca -0.00 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1lj3 h GLU 7 Cb 1.07 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1lj3 h GLU 7 CO 0.06 0.75 -0.12 1.25 -0.73 0.00 0.00 179.01 180.22 1lj3 h LEU 8 N 0.67 0.64 -0.75 1.64 6.46 -1.07 -1.84 115.31 121.06 1lj3 h LEU 8 Ca 0.16 -0.39 0.05 0.00 -0.12 0.00 0.00 57.88 57.58 1lj3 h LEU 8 Cb 0.31 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 1lj3 h LEU 8 CO -0.00 0.89 0.45 0.00 -0.62 0.00 0.00 178.44 179.16 1lj3 h ALA 9 N 0.77 1.01 -0.62 1.25 0.00 -1.13 0.13 119.26 120.67 1lj3 h ALA 9 Ca 0.07 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1lj3 h ALA 9 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1lj3 h ALA 9 CO 0.04 0.18 0.10 0.00 0.00 0.00 0.00 179.25 179.57 1lj3 h ALA 10 N 1.36 0.82 -0.30 0.00 0.00 -0.89 -1.03 119.26 119.21 1lj3 h ALA 10 Ca 0.32 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1lj3 h ALA 10 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1lj3 h ALA 10 CO -0.16 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 1lj3 h ALA 11 N 1.02 0.41 -0.36 0.00 0.00 -0.65 -1.82 119.26 117.87 1lj3 h ALA 11 Ca 0.19 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1lj3 h ALA 11 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1lj3 h ALA 11 CO 0.01 0.18 -0.01 0.52 0.00 0.00 0.00 179.25 179.96 1lj3 h MET 12 N 0.34 0.56 -0.38 0.00 2.86 -0.64 -2.11 114.93 115.56 1lj3 h MET 12 Ca 0.08 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 1lj3 h MET 12 Cb 0.46 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1lj3 h MET 12 CO 0.02 0.59 -0.25 -0.22 1.06 0.00 0.00 176.91 178.11 1lj3 h LYS 13 N 0.54 0.78 -0.15 1.72 3.64 -1.01 -1.78 116.57 120.30 1lj3 h LYS 13 Ca 0.11 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1lj3 h LYS 13 Cb 0.35 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1lj3 h LYS 13 CO 0.01 0.95 -0.07 0.00 -2.27 0.00 0.00 179.45 178.08 1lj3 h ARG 14 N 0.68 0.23 -0.64 1.90 3.08 -0.70 -1.56 114.38 117.35 1lj3 h ARG 14 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1lj3 h ARG 14 Cb 0.78 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1lj3 h ARG 14 CO 0.06 0.31 0.00 0.72 -1.07 0.00 0.00 179.97 180.00 1lj3 n HIS 15 N -4.33 0.85 -2.97 3.04 8.25 -0.86 -4.92 115.22 114.28 1lj3 n HIS 15 Ca -0.01 -0.32 -0.16 0.00 -0.26 0.00 0.00 57.72 56.97 1lj3 n HIS 15 Cb 0.22 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.17 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 0.59 -0.16 0.10 -1.41 0.00 -0.59 -4.94 105.19 98.78 1lj3 n GLY 16 Ca 0.13 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1lj3 n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lj3 n LEU 17 N -3.22 0.76 -4.64 0.99 7.94 -0.70 -4.54 117.00 113.58 1lj3 n LEU 17 Ca -0.05 0.29 -0.42 0.00 -1.11 0.00 0.00 56.01 54.72 1lj3 n LEU 17 Cb 0.57 -0.05 -0.03 0.00 0.53 0.00 0.00 43.42 44.44 1lj3 n LEU 17 CO 0.38 -0.16 1.66 -0.62 -1.11 0.00 0.00 177.39 177.54 1lj3 s ASP 18 N -5.28 6.12 -1.66 1.96 2.15 -1.26 -1.52 116.67 117.19 1lj3 s ASP 18 Ca -0.01 2.31 0.00 0.00 0.43 0.00 0.00 52.55 55.27 1lj3 s ASP 18 Cb 0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1lj3 s ASP 18 CO 0.80 -1.37 0.00 0.59 -0.17 0.00 0.00 175.17 175.03 1lj3 n ASN 19 N 8.98 -4.98 -4.67 -0.34 4.13 0.45 -4.87 115.26 113.97 1lj3 n ASN 19 Ca 0.23 0.39 -0.42 0.00 1.68 0.00 0.00 54.58 56.46 1lj3 n ASN 19 Cb 0.43 -3.86 -0.03 0.00 -1.54 0.00 0.00 39.78 34.78 1lj3 n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1lj3 s TYR 20 N -2.55 1.67 -1.48 3.10 5.04 -0.57 -1.48 117.35 121.08 1lj3 s TYR 20 Ca 0.00 -0.16 -0.12 0.00 -2.44 0.00 0.00 57.07 54.35 1lj3 s TYR 20 Cb 0.00 -4.12 0.06 0.00 0.35 0.00 0.00 41.96 38.25 1lj3 s TYR 20 CO 0.00 -4.85 1.04 0.54 -1.34 0.00 0.00 175.55 170.94 1lj3 n ARG 21 N 7.07 -6.24 -0.95 4.97 1.74 -1.26 -2.41 116.66 119.59 1lj3 n ARG 21 Ca 0.19 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1lj3 n ARG 21 Cb 0.41 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 1lj3 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lj3 n GLY 22 N -1.78 0.87 3.50 -0.13 0.00 -0.55 -5.00 105.19 102.10 1lj3 n GLY 22 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.58 3.19 0.81 1.61 2.02 -1.01 -4.91 117.35 115.49 1lj3 s TYR 23 Ca 0.00 -0.29 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 1lj3 s TYR 23 Cb 0.00 -2.77 0.09 0.00 -0.40 0.00 0.00 41.96 38.88 1lj3 s TYR 23 CO 0.00 -0.59 1.19 -1.54 -1.57 0.00 0.00 175.55 173.04 1lj3 s SER 24 N 1.77 3.59 0.36 2.29 1.04 -1.26 -0.41 113.70 121.07 1lj3 s SER 24 Ca 0.11 2.31 0.11 0.00 0.48 0.00 0.00 55.95 58.95 1lj3 s SER 24 Cb -0.17 -2.58 0.88 0.00 0.10 0.00 0.00 66.02 64.25 1lj3 s SER 24 CO 0.12 -2.67 1.82 0.25 0.98 0.00 0.00 173.24 173.75 1lj3 h LEU 25 N -1.01 0.63 -1.30 2.42 5.85 -1.90 -1.52 115.31 118.48 1lj3 h LEU 25 Ca -0.46 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.40 1lj3 h LEU 25 Cb 1.29 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1lj3 h LEU 25 CO 0.46 0.25 0.52 1.23 -0.34 0.00 0.00 178.44 180.56 1lj3 h GLY 26 N 0.63 1.09 0.89 3.75 0.00 -1.91 -2.13 103.07 105.39 1lj3 h GLY 26 Ca 0.51 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.53 1lj3 h GLY 26 CO -0.27 0.24 0.33 3.43 0.00 0.00 0.00 176.54 180.27 1lj3 h ASN 27 N 0.84 0.54 -0.43 0.19 2.35 -1.49 -0.51 115.58 117.06 1lj3 h ASN 27 Ca 0.35 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.02 1lj3 h ASN 27 Cb 0.27 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1lj3 h ASN 27 CO -0.12 0.38 -0.04 -0.50 -1.65 0.00 0.00 177.43 175.49 1lj3 h TRP 28 N 0.65 0.88 -0.50 1.19 4.06 -1.47 0.22 115.95 120.98 1lj3 h TRP 28 Ca 0.21 -0.17 -0.08 0.00 2.06 0.00 0.00 58.89 60.91 1lj3 h TRP 28 Cb 0.01 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.93 1lj3 h TRP 28 CO -0.06 0.87 -0.00 0.28 -3.56 0.00 0.00 178.44 175.97 1lj3 h VAL 29 N 0.63 1.26 -0.79 1.49 2.07 -1.30 -1.11 116.25 118.50 1lj3 h VAL 29 Ca 0.12 -1.09 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1lj3 h VAL 29 Cb 0.55 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1lj3 h VAL 29 CO 0.03 0.38 0.33 0.00 0.02 0.00 0.00 177.57 178.33 1lj3 h ALA 31 N 1.17 -0.09 -0.91 0.00 0.00 -0.64 -2.59 119.26 116.20 1lj3 h ALA 31 Ca 0.26 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1lj3 h ALA 31 Cb 0.20 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1lj3 h ALA 31 CO -0.02 -0.52 0.59 0.00 0.00 0.00 0.00 179.25 179.30 1lj3 h ALA 32 N 0.76 1.21 -0.02 0.00 0.00 -0.91 -0.30 119.26 120.00 1lj3 h ALA 32 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1lj3 h ALA 32 Cb 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1lj3 h ALA 32 CO 0.02 0.44 -0.22 -0.22 0.00 0.00 0.00 179.25 179.28 1lj3 h LYS 33 N 1.14 -0.32 0.00 0.00 1.63 -0.77 -1.60 116.57 116.65 1lj3 h LYS 33 Ca 0.37 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1lj3 h LYS 33 Cb 0.02 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1lj3 h LYS 33 CO -0.12 -0.21 -0.44 1.19 -3.45 0.00 0.00 179.45 176.41 1lj3 n PHE 34 N -5.34 0.32 0.05 1.91 3.72 -1.00 -0.22 117.46 116.90 1lj3 n PHE 34 Ca -0.04 0.09 -0.22 0.00 -0.05 0.00 0.00 57.45 57.23 1lj3 n PHE 34 Cb 0.26 -0.52 -0.15 0.00 -0.94 0.00 0.00 39.48 38.14 1lj3 n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1lj3 h GLU 35 N 0.00 0.34 0.00 -1.08 4.39 -0.95 -3.43 114.58 113.84 1lj3 h GLU 35 Ca 0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1lj3 h GLU 35 Cb 0.62 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1lj3 h GLU 35 CO 0.00 1.28 0.00 -1.13 -1.16 0.00 0.00 179.01 178.00 1lj3 n SER 36 N -3.87 0.10 -3.59 1.42 3.41 -0.65 -4.83 113.62 105.60 1lj3 n SER 36 Ca -0.21 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.16 1lj3 n SER 36 Cb 0.95 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.98 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 -0.00 -5.72 -1.93 4.04 5.15 0.69 -2.22 115.26 115.27 1lj3 n ASN 37 Ca 0.00 -0.56 -0.20 0.00 -0.60 0.00 0.00 54.58 53.21 1lj3 n ASN 37 Cb 0.24 -4.99 -0.05 0.00 -0.53 0.00 0.00 39.78 34.44 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 -4.88 -0.46 -3.68 1.20 3.72 -1.16 -4.84 117.46 107.36 1lj3 n PHE 38 Ca -0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.99 1lj3 n PHE 38 Cb 0.57 -3.66 -0.12 0.00 -0.94 0.00 0.00 39.48 35.34 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 -2.45 5.44 0.41 4.37 3.84 -0.94 -0.92 114.94 124.69 1lj3 s ASN 39 Ca 0.00 -0.40 0.29 0.00 0.21 0.00 0.00 52.86 52.96 1lj3 s ASN 39 Cb 0.00 -1.98 1.29 0.00 -0.55 0.00 0.00 41.25 40.01 1lj3 s ASN 39 CO 0.00 -0.14 1.87 0.71 -2.79 0.00 0.00 177.10 176.75 1lj3 h THR 40 N 5.61 0.00 -0.32 -5.21 1.35 -1.39 -2.93 112.91 110.02 1lj3 h THR 40 Ca -0.34 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1lj3 h THR 40 Cb 1.16 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1lj3 h THR 40 CO 0.60 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.87 1lj3 n GLN 41 N -2.61 2.44 -1.83 4.72 6.02 -1.26 -4.10 117.38 120.74 1lj3 n GLN 41 Ca 0.01 -2.16 -0.41 0.00 -0.01 0.00 0.00 57.00 54.43 1lj3 n GLN 41 Cb 0.21 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 1lj3 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lj3 s ALA 42 N -1.59 3.61 -0.02 -1.58 0.00 -1.11 -4.79 121.76 116.28 1lj3 s ALA 42 Ca 0.37 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.79 1lj3 s ALA 42 Cb 0.22 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1lj3 s ALA 42 CO 0.31 -0.99 0.15 0.95 0.00 0.00 0.00 175.76 176.19 1lj3 s THR 43 N -0.83 0.06 -0.10 0.00 -4.23 -1.26 -0.64 115.64 108.63 1lj3 s THR 43 Ca 0.55 -0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 1lj3 s THR 43 Cb -0.46 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.05 1lj3 s THR 43 CO 0.58 -0.26 0.12 0.21 -0.54 0.00 0.00 174.62 174.73 1lj3 s ASN 44 N -0.94 1.30 -0.21 3.99 3.84 -0.36 -4.95 114.94 117.60 1lj3 s ASN 44 Ca -0.10 -0.02 -0.26 0.00 0.21 0.00 0.00 52.86 52.68 1lj3 s ASN 44 Cb -0.06 0.04 -0.00 0.00 -0.55 0.00 0.00 41.25 40.68 1lj3 s ASN 44 CO 0.01 -0.28 0.89 -0.60 -2.79 0.00 0.00 177.10 174.34 1lj3 s ARG 45 N 2.22 4.25 0.29 0.43 3.00 -1.26 -0.59 118.95 127.30 1lj3 s ARG 45 Ca 0.04 1.10 -0.02 0.00 -1.00 0.00 0.00 55.73 55.84 1lj3 s ARG 45 Cb -0.13 -3.61 -0.04 0.00 0.00 0.00 0.00 34.95 31.16 1lj3 s ARG 45 CO -0.06 -0.47 0.52 -0.80 0.00 0.00 0.00 175.30 174.49 1lj3 s ASN 46 N 1.23 6.38 0.55 -2.12 0.01 0.15 -4.98 114.94 116.16 1lj3 s ASN 46 Ca 0.39 0.56 0.29 0.00 -0.71 0.00 0.00 52.86 53.39 1lj3 s ASN 46 Cb -0.16 -2.08 1.59 0.00 0.41 0.00 0.00 41.25 41.01 1lj3 s ASN 46 CO 0.09 -0.21 2.13 0.71 -1.51 0.00 0.00 177.10 178.32 1lj3 h THR 47 N 1.16 0.53 0.00 1.60 1.35 -1.97 -2.55 112.91 113.03 1lj3 h THR 47 Ca -0.48 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1lj3 h THR 47 Cb 1.20 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1lj3 h THR 47 CO 0.65 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.10 1lj3 n ASP 48 N -3.67 0.00 0.00 5.36 5.75 -1.26 -4.84 116.55 117.89 1lj3 n ASP 48 Ca -0.02 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1lj3 n ASP 48 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.61 0.94 4.00 6.12 0.00 -0.96 -4.80 105.19 111.11 1lj3 n GLY 49 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.87 5.66 0.01 1.61 1.04 -1.25 -4.55 113.70 113.34 1lj3 s SER 50 Ca 0.00 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.04 1lj3 s SER 50 Cb 0.00 -0.83 0.01 0.00 0.10 0.00 0.00 66.02 65.30 1lj3 s SER 50 CO 0.00 -0.76 0.21 0.28 0.98 0.00 0.00 173.24 173.95 1lj3 s THR 51 N -2.39 0.09 -0.16 2.02 -1.32 -1.26 0.33 115.64 112.95 1lj3 s THR 51 Ca 0.53 -0.71 -0.09 0.00 -1.21 0.00 0.00 61.69 60.21 1lj3 s THR 51 Cb -0.10 -0.67 -0.05 0.00 -1.51 0.00 0.00 72.50 70.17 1lj3 s THR 51 CO 0.34 -0.39 0.15 -1.81 -2.21 0.00 0.00 174.62 170.70 1lj3 s ASP 52 N -1.65 6.31 -0.00 8.08 1.01 0.24 -1.30 116.67 129.36 1lj3 s ASP 52 Ca -0.11 0.37 0.08 0.00 0.71 0.00 0.00 52.55 53.60 1lj3 s ASP 52 Cb -0.04 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1lj3 s ASP 52 CO 0.00 0.28 -0.25 -0.31 0.21 0.00 0.00 175.17 175.09 1lj3 s TYR 53 N -0.26 2.26 0.04 4.23 1.51 0.05 -1.23 117.35 123.95 1lj3 s TYR 53 Ca 0.12 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1lj3 s TYR 53 Cb -0.12 -1.43 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1lj3 s TYR 53 CO 0.01 -0.00 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 1lj3 n GLY 54 N 2.31 -1.93 0.47 0.71 0.00 0.18 -1.83 105.19 105.09 1lj3 n GLY 54 Ca -0.16 -1.36 0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.15 0.53 -0.24 -0.61 2.10 -1.71 0.49 117.51 117.91 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 0.15 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.42 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 -4.24 3.09 -4.04 2.19 4.77 -1.26 -4.15 117.00 113.37 1lj3 n LEU 56 Ca 0.19 -2.44 -0.43 0.00 -0.03 0.00 0.00 56.01 53.30 1lj3 n LEU 56 Cb 0.99 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1lj3 n LEU 56 CO 0.39 0.68 -0.18 0.00 -1.33 0.00 0.00 177.39 176.94 1lj3 n GLN 57 N -0.12 -0.44 -2.88 3.23 1.13 0.16 -4.89 117.38 113.56 1lj3 n GLN 57 Ca 0.14 0.17 -0.41 0.00 -1.94 0.00 0.00 57.00 54.96 1lj3 n GLN 57 Cb 0.58 -2.33 -0.04 0.00 0.11 0.00 0.00 30.24 28.56 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 -3.45 4.89 0.16 5.09 1.01 -0.76 -4.50 121.20 123.64 1lj3 s ILE 58 Ca 0.40 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.51 1lj3 s ILE 58 Cb -0.22 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 1lj3 s ILE 58 CO 0.95 0.24 0.96 0.21 0.00 0.00 0.00 174.94 177.30 1lj3 s ASN 59 N 0.70 7.53 0.37 3.58 3.84 -1.26 -0.77 114.94 128.94 1lj3 s ASN 59 Ca 0.44 1.87 0.27 0.00 0.21 0.00 0.00 52.86 55.65 1lj3 s ASN 59 Cb -0.20 -2.60 1.01 0.00 -0.55 0.00 0.00 41.25 38.91 1lj3 s ASN 59 CO 0.24 -0.00 1.80 0.77 -2.79 0.00 0.00 177.10 177.12 1lj3 h SER 60 N 5.05 0.00 -0.34 -4.21 4.64 -1.46 -2.60 113.55 114.63 1lj3 h SER 60 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 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 0.14 -0.09 -0.87 0.00 0.00 176.83 176.72 1lj3 h ARG 61 N 0.00 0.58 0.00 4.77 9.65 -1.85 -3.38 114.38 124.15 1lj3 h ARG 61 Ca 0.00 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1lj3 h ARG 61 Cb 0.55 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1lj3 h ARG 61 CO 0.00 0.50 -0.95 0.91 2.80 0.00 0.00 179.97 183.22 1lj3 n TRP 62 N -4.36 0.00 -0.00 2.20 7.02 -1.23 -2.20 117.44 118.87 1lj3 n TRP 62 Ca 0.03 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.53 1lj3 n TRP 62 Cb 0.16 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.93 1lj3 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1lj3 n TRP 63 N -2.21 0.44 -4.04 -5.99 7.02 -0.98 -1.03 117.44 110.66 1lj3 n TRP 63 Ca 0.00 0.14 -0.09 0.00 -1.02 0.00 0.00 57.50 56.53 1lj3 n TRP 63 Cb 0.48 -0.86 -0.09 0.00 -2.42 0.00 0.00 31.31 28.42 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 -2.98 4.97 0.00 0.00 2.47 -0.61 -4.63 114.94 114.16 1lj3 s ASN 65 Ca 0.17 -0.24 0.07 0.00 0.42 0.00 0.00 52.86 53.27 1lj3 s ASN 65 Cb 0.06 -1.89 0.19 0.00 -1.45 0.00 0.00 41.25 38.16 1lj3 s ASN 65 CO -0.02 -0.03 1.15 -0.90 -3.72 0.00 0.00 177.10 173.58 1lj3 n ASP 66 N 4.88 2.56 0.00 -4.21 5.68 -1.26 -1.47 116.55 122.74 1lj3 n ASP 66 Ca -0.17 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.13 1lj3 n ASP 66 Cb 0.51 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 0.13 0.45 0.12 6.12 0.00 -1.26 -4.73 105.19 106.02 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 -2.00 1.17 -4.10 1.61 1.85 -1.26 -5.05 116.66 108.88 1lj3 n ARG 68 Ca 0.00 -1.37 -0.34 0.00 -1.00 0.00 0.00 57.85 55.13 1lj3 n ARG 68 Cb 0.00 -0.88 -0.10 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.95 4.54 0.21 8.89 2.01 -1.26 -4.91 115.64 124.17 1lj3 s THR 69 Ca 0.07 -0.12 -0.31 0.00 0.31 0.00 0.00 61.69 61.65 1lj3 s THR 69 Cb 0.06 -3.04 -0.16 0.00 0.01 0.00 0.00 72.50 69.38 1lj3 s THR 69 CO 0.01 0.47 0.97 -2.65 -0.69 0.00 0.00 174.62 172.73 1lj3 n PRO 70 N 3.57 0.93 -2.97 4.92 -0.02 -1.26 -1.55 135.00 138.61 1lj3 n PRO 70 Ca -0.17 0.33 -0.18 0.00 -2.02 0.00 0.00 63.50 61.46 1lj3 n PRO 70 Cb 0.52 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.71 -0.33 3.60 -1.23 0.00 -1.26 -4.68 105.19 103.00 1lj3 n GLY 71 Ca 0.14 0.03 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 1lj3 n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lj3 n SER 72 N -1.40 3.13 -4.97 1.61 2.88 -0.59 -4.96 113.62 109.32 1lj3 n SER 72 Ca 0.05 0.64 -0.22 0.00 -1.33 0.00 0.00 58.87 58.01 1lj3 n SER 72 Cb 0.35 -1.40 0.04 0.00 -0.75 0.00 0.00 64.21 62.45 1lj3 n SER 72 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1lj3 s ARG 73 N 5.21 2.54 -0.38 -1.46 0.52 -0.93 -5.03 118.95 119.43 1lj3 s ARG 73 Ca 0.99 -0.71 0.11 0.00 -0.52 0.00 0.00 55.73 55.59 1lj3 s ARG 73 Cb -0.62 -2.46 0.32 0.00 0.52 0.00 0.00 34.95 32.70 1lj3 s ARG 73 CO 0.46 -0.74 0.67 -1.71 0.02 0.00 0.00 175.30 174.01 1lj3 n ASN 74 N -2.38 0.51 0.25 0.23 5.15 -1.22 -4.20 115.26 113.61 1lj3 n ASN 74 Ca 0.08 -2.92 0.18 0.00 -0.60 0.00 0.00 54.58 51.31 1lj3 n ASN 74 Cb 0.60 -0.55 0.90 0.00 -0.53 0.00 0.00 39.78 40.20 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 3.33 0.00 -0.88 1.20 3.38 -1.18 0.41 115.31 121.56 1lj3 h LEU 75 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lj3 h LEU 75 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1lj3 h LEU 75 CO 0.48 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.70 1lj3 n ASN 77 N -0.13 -3.70 -3.59 0.00 5.15 0.13 -4.97 115.26 108.15 1lj3 n ASN 77 Ca 0.12 -0.86 -0.15 0.00 -0.60 0.00 0.00 54.58 53.09 1lj3 n ASN 77 Cb 0.42 -4.12 -0.06 0.00 -0.53 0.00 0.00 39.78 35.50 1lj3 n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1lj3 s ILE 78 N -3.54 0.03 0.30 -1.44 -4.36 -1.26 -5.08 121.20 105.84 1lj3 s ILE 78 Ca 0.25 -0.21 -0.29 0.00 -0.26 0.00 0.00 60.65 60.14 1lj3 s ILE 78 Cb -0.07 -0.92 -0.09 0.00 1.25 0.00 0.00 42.46 42.63 1lj3 s ILE 78 CO 0.81 -0.12 1.08 -2.16 0.24 0.00 0.00 174.94 174.79 1lj3 s PRO 79 N -1.88 4.58 0.55 0.37 0.04 -1.26 -1.58 135.00 135.81 1lj3 s PRO 79 Ca -0.08 1.73 0.26 0.00 0.04 0.00 0.00 61.00 62.94 1lj3 s PRO 79 Cb -0.01 -3.08 1.44 0.00 0.04 0.00 0.00 34.50 32.88 1lj3 s PRO 79 CO 0.03 0.18 2.01 0.00 0.04 0.00 0.00 177.00 179.26 1lj3 h SER 81 N 0.00 0.00 0.31 0.00 4.64 -1.90 0.60 113.55 117.20 1lj3 h SER 81 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1lj3 h SER 81 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1lj3 h SER 81 CO -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 1lj3 h ALA 82 N 1.90 1.12 -0.00 5.18 0.00 -1.42 -0.55 119.26 125.49 1lj3 h ALA 82 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1lj3 h ALA 82 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1lj3 h ALA 82 CO -0.00 0.04 -0.06 1.28 0.00 0.00 0.00 179.25 180.50 1lj3 n LEU 83 N -3.30 0.35 -0.72 0.00 4.77 0.20 -3.33 117.00 114.98 1lj3 n LEU 83 Ca -0.02 0.04 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1lj3 n LEU 83 Cb 0.16 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1lj3 n LEU 83 CO 0.25 0.06 0.48 0.18 -1.33 0.00 0.00 177.39 177.03 1lj3 n LEU 84 N -0.97 2.49 -4.76 2.23 4.32 -0.22 -3.68 117.00 116.41 1lj3 n LEU 84 Ca 0.16 -0.90 -0.32 0.00 -0.02 0.00 0.00 56.01 54.93 1lj3 n LEU 84 Cb 0.25 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.12 1lj3 n LEU 84 CO 0.22 0.43 0.72 -0.55 -1.22 0.00 0.00 177.39 177.00 1lj3 s SER 85 N -2.07 4.65 0.13 -1.43 0.15 -1.21 -4.33 113.70 109.59 1lj3 s SER 85 Ca 0.22 1.94 0.24 0.00 0.70 0.00 0.00 55.95 59.06 1lj3 s SER 85 Cb 0.18 -2.54 0.92 0.00 -1.71 0.00 0.00 66.02 62.87 1lj3 s SER 85 CO 0.39 -1.94 1.74 -1.54 1.20 0.00 0.00 173.24 173.09 1lj3 n SER 86 N -3.06 0.43 -4.60 5.45 3.41 -1.26 -4.51 113.62 109.48 1lj3 n SER 86 Ca 0.10 0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 58.88 1lj3 n SER 86 Cb 0.52 -0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 1lj3 n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lj3 s ASP 87 N -3.81 6.32 0.00 4.04 2.15 -1.26 -4.97 116.67 119.14 1lj3 s ASP 87 Ca 0.09 0.27 0.22 0.00 0.43 0.00 0.00 52.55 53.56 1lj3 s ASP 87 Cb 0.13 -2.24 1.13 0.00 -0.30 0.00 0.00 42.92 41.64 1lj3 s ASP 87 CO 0.47 -0.28 1.75 2.30 -0.17 0.00 0.00 175.17 179.23 1lj3 n ILE 88 N 5.20 0.06 -0.15 4.11 -5.35 -1.26 -4.39 119.36 117.57 1lj3 n ILE 88 Ca -0.06 -0.12 -0.04 0.00 -0.27 0.00 0.00 62.75 62.26 1lj3 n ILE 88 Cb 0.50 -0.07 0.02 0.00 -1.74 0.00 0.00 39.64 38.35 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 0.81 0.35 -0.35 7.28 2.02 -1.94 -0.54 112.91 120.55 1lj3 h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1lj3 h THR 89 Cb 0.18 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1lj3 h THR 89 CO 0.00 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.08 1lj3 h ALA 90 N 1.21 0.44 -0.60 6.16 0.00 -1.84 -1.29 119.26 123.34 1lj3 h ALA 90 Ca 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1lj3 h ALA 90 Cb 0.47 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1lj3 h ALA 90 CO -0.56 -0.03 0.39 0.77 0.00 0.00 0.00 179.25 179.82 1lj3 h SER 91 N 0.44 0.66 -0.33 0.00 0.02 -1.68 -1.46 113.55 111.19 1lj3 h SER 91 Ca 0.12 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1lj3 h SER 91 Cb 0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1lj3 h SER 91 CO -0.02 0.47 -0.00 0.58 -1.14 0.00 0.00 176.83 176.72 1lj3 h VAL 92 N 0.78 1.26 -0.44 2.27 2.07 -0.93 -0.50 116.25 120.76 1lj3 h VAL 92 Ca 0.23 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1lj3 h VAL 92 Cb -0.05 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1lj3 h VAL 92 CO -0.07 0.32 -0.03 0.78 0.02 0.00 0.00 177.57 178.59 1lj3 h ASN 93 N 0.40 0.70 -0.30 0.57 2.35 -1.12 -1.75 115.58 116.42 1lj3 h ASN 93 Ca 0.09 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.53 1lj3 h ASN 93 Cb 0.45 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 1lj3 h ASN 93 CO 0.02 0.78 -0.37 0.00 -1.65 0.00 0.00 177.43 176.21 1lj3 h ALA 95 N 0.70 2.03 -0.39 0.00 0.00 -0.78 -0.76 119.26 120.06 1lj3 h ALA 95 Ca 0.04 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1lj3 h ALA 95 Cb 0.96 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1lj3 h ALA 95 CO 0.09 -0.04 -0.17 0.87 0.00 0.00 0.00 179.25 180.00 1lj3 h LYS 96 N 0.03 0.73 -0.14 0.00 1.57 -1.07 -0.92 116.57 116.77 1lj3 h LYS 96 Ca 0.03 -0.26 -0.21 0.00 -1.87 0.00 0.00 60.65 58.34 1lj3 h LYS 96 Cb 0.09 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1lj3 h LYS 96 CO -0.00 0.85 -0.76 0.87 -0.57 0.00 0.00 179.45 179.84 1lj3 h LYS 97 N 0.65 0.70 0.02 3.15 1.57 -1.13 -3.01 116.57 118.51 1lj3 h LYS 97 Ca 0.10 -0.56 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1lj3 h LYS 97 Cb 0.64 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1lj3 h LYS 97 CO 0.05 1.18 -0.01 0.82 -0.57 0.00 0.00 179.45 180.92 1lj3 h ILE 98 N 0.48 1.11 0.00 1.86 2.04 -1.07 -2.56 117.51 119.37 1lj3 h ILE 98 Ca -0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1lj3 h ILE 98 Cb 1.37 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1lj3 h ILE 98 CO 0.15 0.10 0.00 0.55 0.00 0.00 0.00 178.15 178.95 1lj3 n VAL 99 N -5.02 1.15 0.73 1.67 3.14 -0.37 -0.95 118.33 118.69 1lj3 n VAL 99 Ca -0.08 0.38 0.12 0.00 -2.96 0.00 0.00 64.34 61.80 1lj3 n VAL 99 Cb 0.11 -1.29 0.13 0.00 -1.06 0.00 0.00 33.84 31.74 1lj3 n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1lj3 n SER 100 N -1.87 3.10 0.00 6.55 7.64 -1.00 -3.81 113.62 124.23 1lj3 n SER 100 Ca 0.01 -1.97 0.11 0.00 1.01 0.00 0.00 58.87 58.03 1lj3 n SER 100 Cb 0.13 -0.08 0.63 0.00 -1.01 0.00 0.00 64.21 63.88 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 1.35 0.00 0.00 6.43 2.03 -0.12 -4.88 116.55 121.36 1lj3 n ASP 101 Ca 0.15 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1lj3 n ASP 101 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 0.77 0.78 0.07 0.27 0.00 -1.26 -4.94 105.19 100.88 1lj3 n GLY 102 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1lj3 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lj3 n ASN 103 N 0.00 1.15 0.00 1.61 4.05 -1.26 -5.11 115.26 115.69 1lj3 n ASN 103 Ca 0.00 -1.81 0.00 0.00 0.45 0.00 0.00 54.58 53.22 1lj3 n ASN 103 Cb 0.00 -0.08 0.00 0.00 1.23 0.00 0.00 39.78 40.93 1lj3 n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1lj3 n GLY 104 N -0.40 2.28 0.12 8.20 0.00 -1.25 -1.78 105.19 112.37 1lj3 n GLY 104 Ca 0.02 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 13.17 1.16 0.02 1.61 2.81 -1.26 -3.46 117.12 131.17 1lj3 n MET 105 Ca 0.00 -0.24 0.07 0.00 -1.81 0.00 0.00 57.70 55.72 1lj3 n MET 105 Cb 0.00 -1.45 0.30 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.67 0.10 0.21 7.83 3.02 -0.73 -1.61 115.26 123.42 1lj3 n ASN 106 Ca 0.21 0.53 0.15 0.00 -0.03 0.00 0.00 54.58 55.43 1lj3 n ASN 106 Cb 0.16 -0.55 0.63 0.00 -0.61 0.00 0.00 39.78 39.41 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 2.40 1.00 -2.53 5.41 0.00 -1.69 -3.38 119.26 120.47 1lj3 h ALA 107 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1lj3 h ALA 107 Cb 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.78 1lj3 h ALA 107 CO 0.00 0.00 -0.40 -1.58 0.00 0.00 0.00 179.25 177.27 1lj3 s TRP 108 N -3.54 3.27 0.15 0.00 0.51 -0.63 -4.98 118.94 113.72 1lj3 s TRP 108 Ca 0.02 -1.09 -0.21 0.00 -2.12 0.00 0.00 56.10 52.70 1lj3 s TRP 108 Cb 0.09 -2.97 0.03 0.00 -0.81 0.00 0.00 33.47 29.82 1lj3 s TRP 108 CO 0.46 -0.78 1.66 0.28 -0.51 0.00 0.00 176.95 178.05 1lj3 h VAL 109 N 5.86 0.53 -0.65 4.03 2.07 -1.85 -1.24 116.25 125.00 1lj3 h VAL 109 Ca -0.26 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.37 1lj3 h VAL 109 Cb 1.10 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1lj3 h VAL 109 CO 0.80 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.83 1lj3 h ALA 110 N 1.01 2.05 -0.08 1.67 0.00 -1.93 -1.59 119.26 120.38 1lj3 h ALA 110 Ca 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1lj3 h ALA 110 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1lj3 h ALA 110 CO -0.34 -0.20 -0.00 2.35 0.00 0.00 0.00 179.25 181.05 1lj3 h TRP 111 N 0.41 0.16 -0.36 0.00 7.01 -1.55 -0.16 115.95 121.46 1lj3 h TRP 111 Ca 0.30 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 1lj3 h TRP 111 Cb 0.64 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.63 1lj3 h TRP 111 CO -0.00 0.42 0.20 0.00 -2.79 0.00 0.00 178.44 176.26 1lj3 h ARG 112 N -0.13 0.49 0.00 2.65 3.08 -0.79 0.14 114.38 119.81 1lj3 h ARG 112 Ca 0.02 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 1lj3 h ARG 112 Cb 0.35 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1lj3 h ARG 112 CO 0.00 0.36 -1.38 -0.91 -1.07 0.00 0.00 179.97 176.98 1lj3 h ASN 113 N 0.50 0.00 0.00 7.04 -0.26 -1.18 -3.39 115.58 118.28 1lj3 h ASN 113 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1lj3 h ASN 113 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1lj3 h ASN 113 CO -0.02 0.99 -0.82 0.54 -1.06 0.00 0.00 177.43 177.06 1lj3 n ARG 114 N -3.18 1.23 -0.06 0.81 5.12 -0.09 -4.90 116.66 115.60 1lj3 n ARG 114 Ca -0.09 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.72 1lj3 n ARG 114 Cb 1.00 -0.91 -0.05 0.00 -1.16 0.00 0.00 32.46 31.33 1lj3 n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lj3 n LYS 116 N -3.16 1.83 -0.98 0.00 4.81 -0.21 -1.63 118.16 118.82 1lj3 n LYS 116 Ca -0.24 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 1lj3 n LYS 116 Cb 0.72 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.48 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 2.20 0.72 3.87 3.14 0.00 -1.26 -4.97 105.19 108.90 1lj3 n GLY 117 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1lj3 n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lj3 s THR 118 N -2.98 2.50 -1.23 2.61 -1.32 -0.65 -5.02 115.64 109.56 1lj3 s THR 118 Ca 0.00 -1.37 -0.15 0.00 -1.21 0.00 0.00 61.69 58.96 1lj3 s THR 118 Cb 0.00 -2.88 0.14 0.00 -1.51 0.00 0.00 72.50 68.25 1lj3 s THR 118 CO 0.00 0.00 1.51 -0.62 -2.21 0.00 0.00 174.62 173.30 1lj3 s ASP 119 N -4.15 6.99 0.35 8.08 2.15 -1.26 -4.81 116.67 124.02 1lj3 s ASP 119 Ca 0.47 -2.81 0.24 0.00 0.43 0.00 0.00 52.55 50.87 1lj3 s ASP 119 Cb -0.03 -2.45 1.26 0.00 -0.30 0.00 0.00 42.92 41.40 1lj3 s ASP 119 CO 0.27 -0.88 1.73 -0.37 -0.17 0.00 0.00 175.17 175.75 1lj3 h VAL 120 N 4.95 0.00 0.00 1.11 -1.51 -1.91 -1.94 116.25 116.95 1lj3 h VAL 120 Ca 0.35 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 1lj3 h VAL 120 Cb 0.88 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1lj3 h VAL 120 CO 1.30 0.00 0.00 -0.61 -1.23 0.00 0.00 177.57 177.03 1lj3 h GLN 121 N 0.00 0.00 0.00 5.19 5.75 -1.88 -1.55 115.11 122.62 1lj3 h GLN 121 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1lj3 h GLN 121 Cb 0.04 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1lj3 h GLN 121 CO 0.00 0.00 -0.14 0.00 -2.65 0.00 0.00 178.83 176.04 1lj3 h ALA 122 N 2.00 1.28 0.00 3.38 0.00 -1.75 -2.50 119.26 121.67 1lj3 h ALA 122 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1lj3 h ALA 122 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1lj3 h ALA 122 CO 0.00 0.17 0.00 -1.49 0.00 0.00 0.00 179.25 177.93 1lj3 h TRP 123 N 0.00 0.00 -0.18 0.00 4.06 -1.51 -2.33 115.95 115.99 1lj3 h TRP 123 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1lj3 h TRP 123 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1lj3 h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1lj3 n ILE 124 N -2.34 1.51 -2.05 1.49 -5.35 -0.95 -4.80 119.36 106.88 1lj3 n ILE 124 Ca 0.02 -1.48 -0.41 0.00 -0.27 0.00 0.00 62.75 60.61 1lj3 n ILE 124 Cb 0.25 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.28 1lj3 n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1lj3 s ARG 125 N -1.85 4.29 0.00 6.28 3.52 -0.88 -2.14 118.95 128.17 1lj3 s ARG 125 Ca 0.25 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 1lj3 s ARG 125 Cb 0.18 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1lj3 s ARG 125 CO 0.08 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 1lj3 n GLY 126 N 2.55 1.43 0.07 8.12 0.00 -1.26 -4.85 105.19 111.25 1lj3 n GLY 126 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 1lj3 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lj3 n ARG 128 N -3.18 -0.63 0.00 0.00 1.74 -1.26 -5.11 116.66 108.23 1lj3 n ARG 128 Ca -0.08 0.07 0.16 0.00 -0.77 0.00 0.00 57.85 57.23 1lj3 n ARG 128 Cb 0.98 -1.49 0.94 0.00 -1.02 0.00 0.00 32.46 31.87 1lj3 n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39