#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljg s VAL 2 N 0.00 3.46 0.44 3.15 1.01 -1.26 -0.98 120.40 126.23 1ljg s VAL 2 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 61.98 60.52 1ljg s VAL 2 Cb 0.00 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 1ljg s VAL 2 CO 0.00 -0.15 1.07 -0.36 0.00 0.00 0.00 175.10 175.66 1ljg s PHE 3 N 1.34 3.08 0.69 5.22 0.40 -0.44 -5.02 117.98 123.26 1ljg s PHE 3 Ca -0.03 1.60 -0.11 0.00 -0.60 0.00 0.00 56.93 57.79 1ljg s PHE 3 Cb -0.20 -3.16 0.01 0.00 0.51 0.00 0.00 43.02 40.18 1ljg s PHE 3 CO 0.01 -0.90 1.09 0.20 0.70 0.00 0.00 175.22 176.32 1ljg s GLY 4 N -1.67 1.63 0.07 4.36 0.00 -1.26 -4.86 107.32 105.60 1ljg s GLY 4 Ca 0.63 -0.31 -0.31 0.00 0.00 0.00 0.00 44.72 44.73 1ljg s GLY 4 CO 0.26 0.04 1.65 -0.09 0.00 0.00 0.00 173.10 174.97 1ljg h ARG 5 N -0.60 -0.68 -0.17 2.90 2.43 -1.97 -2.07 114.38 114.22 1ljg h ARG 5 Ca -0.45 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.66 1ljg h ARG 5 Cb 1.24 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.94 1ljg h ARG 5 CO 0.64 -0.45 -0.38 0.00 -1.51 0.00 0.00 179.97 178.26 1ljg h GLU 7 N 0.31 0.64 -0.20 0.00 4.81 -1.92 0.13 114.58 118.35 1ljg h GLU 7 Ca 0.03 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1ljg h GLU 7 Cb 0.81 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1ljg h GLU 7 CO 0.07 0.42 -0.20 1.25 -0.73 0.00 0.00 179.01 179.82 1ljg h LEU 8 N 0.66 0.53 -0.59 1.64 5.85 -1.17 -1.86 115.31 120.36 1ljg h LEU 8 Ca 0.30 -0.47 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1ljg h LEU 8 Cb 0.19 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 1ljg h LEU 8 CO -0.19 0.89 0.10 0.00 -0.34 0.00 0.00 178.44 178.91 1ljg h ALA 9 N 0.65 0.68 -0.25 1.25 0.00 -0.73 0.31 119.26 121.16 1ljg h ALA 9 Ca 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ljg h ALA 9 Cb 0.74 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ljg h ALA 9 CO 0.05 -0.33 0.15 0.00 0.00 0.00 0.00 179.25 179.12 1ljg h ALA 10 N 1.49 0.32 -0.77 0.00 0.00 -0.66 -0.39 119.26 119.25 1ljg h ALA 10 Ca 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ljg h ALA 10 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1ljg h ALA 10 CO -0.42 -0.17 0.50 0.00 0.00 0.00 0.00 179.25 179.16 1ljg h ALA 11 N 1.04 0.98 -0.42 0.00 0.00 -0.30 -0.72 119.26 119.85 1ljg h ALA 11 Ca 0.09 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1ljg h ALA 11 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ljg h ALA 11 CO -0.02 0.42 -0.18 0.52 0.00 0.00 0.00 179.25 179.99 1ljg h MET 12 N 1.05 0.86 -0.78 0.00 2.86 -0.23 -2.23 114.93 116.47 1ljg h MET 12 Ca 0.28 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1ljg h MET 12 Cb -0.09 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1ljg h MET 12 CO -0.06 1.01 0.38 -0.22 1.06 0.00 0.00 176.91 179.08 1ljg h LYS 13 N 0.68 1.11 -0.08 1.72 3.64 -0.77 -1.42 116.57 121.44 1ljg h LYS 13 Ca 0.10 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1ljg h LYS 13 Cb 0.74 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1ljg h LYS 13 CO 0.06 0.85 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.86 1ljg h ARG 14 N 1.10 0.13 -0.62 1.90 2.43 -0.93 -2.07 114.38 116.32 1ljg h ARG 14 Ca 0.27 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1ljg h ARG 14 Cb 0.10 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ljg h ARG 14 CO -0.03 0.27 0.00 0.72 -1.51 0.00 0.00 179.97 179.42 1ljg n HIS 15 N -4.32 1.09 -2.03 2.20 8.25 -0.59 -4.94 115.22 114.88 1ljg n HIS 15 Ca -0.01 -0.42 -0.07 0.00 -0.26 0.00 0.00 57.72 56.95 1ljg n HIS 15 Cb 0.24 -0.21 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 1ljg n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ljg n GLY 16 N 0.82 0.18 0.13 -1.41 0.00 -0.78 -4.96 105.19 99.16 1ljg n GLY 16 Ca 0.18 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1ljg n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ljg h LEU 17 N 0.00 0.00 -8.96 0.99 3.38 -1.62 -3.41 115.31 105.70 1ljg h LEU 17 Ca -0.16 -0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.21 1ljg h LEU 17 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1ljg h LEU 17 CO 0.19 0.01 1.35 -0.62 0.09 0.00 0.00 178.44 179.46 1ljg s ASP 18 N -5.42 5.79 -0.06 -0.43 2.15 -1.26 -1.70 116.67 115.74 1ljg s ASP 18 Ca 0.01 1.66 0.00 0.00 0.43 0.00 0.00 52.55 54.65 1ljg s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1ljg s ASP 18 CO 0.76 -1.73 0.00 0.59 -0.17 0.00 0.00 175.17 174.62 1ljg n ASN 19 N 10.52 -3.67 -4.69 -0.34 5.03 0.43 -4.84 115.26 117.71 1ljg n ASN 19 Ca 0.25 0.02 -0.42 0.00 0.87 0.00 0.00 54.58 55.30 1ljg n ASN 19 Cb 0.46 -1.22 -0.03 0.00 -1.02 0.00 0.00 39.78 37.96 1ljg n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ljg s TYR 20 N -1.82 2.10 -2.01 3.10 5.04 -0.69 -0.60 117.35 122.48 1ljg s TYR 20 Ca 0.00 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1ljg s TYR 20 Cb 0.00 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.19 1ljg s TYR 20 CO 0.00 -4.64 0.00 0.54 -1.34 0.00 0.00 175.55 170.11 1ljg n ARG 21 N 5.96 -1.57 -0.76 4.97 5.12 -1.26 -1.78 116.66 127.34 1ljg n ARG 21 Ca 0.17 1.13 0.00 0.00 -1.93 0.00 0.00 57.85 57.22 1ljg n ARG 21 Cb 0.39 -5.66 0.00 0.00 -1.16 0.00 0.00 32.46 26.04 1ljg n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ljg n GLY 22 N -0.72 0.68 3.41 -0.13 0.00 0.24 -5.03 105.19 103.64 1ljg n GLY 22 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1ljg n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ljg s TYR 23 N -2.36 3.25 0.76 1.61 2.02 -0.74 -4.89 117.35 116.99 1ljg s TYR 23 Ca 0.00 -0.82 -0.15 0.00 -0.37 0.00 0.00 57.07 55.72 1ljg s TYR 23 Cb 0.00 -2.57 0.00 0.00 -0.40 0.00 0.00 41.96 38.99 1ljg s TYR 23 CO 0.00 -0.64 0.78 -1.13 -1.57 0.00 0.00 175.55 172.99 1ljg n SER 24 N 5.08 -0.33 -0.35 2.29 3.41 -1.26 -0.43 113.62 122.03 1ljg n SER 24 Ca -0.11 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 1ljg n SER 24 Cb 0.46 -1.33 0.32 0.00 -0.26 0.00 0.00 64.21 63.40 1ljg n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1ljg h LEU 25 N -0.52 0.79 -1.47 1.04 5.85 -1.88 -0.34 115.31 118.78 1ljg h LEU 25 Ca -0.46 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.47 1ljg h LEU 25 Cb 1.33 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1ljg h LEU 25 CO 0.44 0.29 0.50 1.23 -0.34 0.00 0.00 178.44 180.56 1ljg h GLY 26 N 0.78 0.87 0.98 3.75 0.00 -1.90 -1.52 103.07 106.03 1ljg h GLY 26 Ca 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1ljg h GLY 26 CO -0.37 0.11 0.28 3.43 0.00 0.00 0.00 176.54 179.99 1ljg h ASN 27 N 0.57 0.64 -0.36 0.19 2.35 -1.28 -0.37 115.58 117.32 1ljg h ASN 27 Ca 0.36 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.86 1ljg h ASN 27 Cb 0.62 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1ljg h ASN 27 CO -0.13 0.55 -0.41 -0.50 -1.65 0.00 0.00 177.43 175.29 1ljg h TRP 28 N 0.68 1.10 -0.66 1.19 4.06 -1.35 -0.74 115.95 120.23 1ljg h TRP 28 Ca 0.18 -0.34 -0.06 0.00 2.06 0.00 0.00 58.89 60.73 1ljg h TRP 28 Cb 0.05 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 27.96 1ljg h TRP 28 CO -0.02 1.17 0.17 0.28 -3.56 0.00 0.00 178.44 176.49 1ljg h VAL 29 N 0.72 1.26 -0.60 1.49 2.07 -1.24 -0.90 116.25 119.04 1ljg h VAL 29 Ca 0.05 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 1ljg h VAL 29 Cb 1.01 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1ljg h VAL 29 CO 0.10 0.35 0.02 0.00 0.02 0.00 0.00 177.57 178.06 1ljg h ALA 31 N 1.05 0.47 -0.79 0.00 0.00 -0.81 -2.57 119.26 116.61 1ljg h ALA 31 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ljg h ALA 31 Cb 0.52 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1ljg h ALA 31 CO 0.03 0.18 0.39 0.00 0.00 0.00 0.00 179.25 179.84 1ljg h ALA 32 N 0.90 1.20 -0.12 0.00 0.00 -0.99 0.71 119.26 120.95 1ljg h ALA 32 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ljg h ALA 32 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ljg h ALA 32 CO 0.01 0.62 0.07 -0.22 0.00 0.00 0.00 179.25 179.73 1ljg h LYS 33 N 1.12 0.17 0.00 0.00 3.11 -1.03 -1.63 116.57 118.31 1ljg h LYS 33 Ca 0.27 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1ljg h LYS 33 Cb 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1ljg h LYS 33 CO -0.04 0.17 -0.46 0.74 -2.81 0.00 0.00 179.45 177.05 1ljg h PHE 34 N 0.12 0.00 0.18 1.91 0.04 -1.31 0.23 116.94 118.10 1ljg h PHE 34 Ca 0.04 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.54 1ljg h PHE 34 Cb 0.04 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.21 1ljg h PHE 34 CO -0.05 0.00 -1.29 0.93 -0.60 0.00 0.00 178.31 177.30 1ljg h GLU 35 N 0.00 0.38 0.00 1.51 4.39 -0.81 -3.43 114.58 116.61 1ljg h GLU 35 Ca 0.00 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1ljg h GLU 35 Cb 0.89 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1ljg h GLU 35 CO 0.00 1.31 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 1ljg n SER 36 N -3.88 0.00 -3.96 1.42 3.41 -0.65 -4.84 113.62 105.11 1ljg n SER 36 Ca -0.19 -1.00 -0.30 0.00 -0.26 0.00 0.00 58.87 57.12 1ljg n SER 36 Cb 0.96 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.92 1ljg n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ljg n ASN 37 N 0.00 -3.37 -1.97 4.04 5.15 0.80 -1.45 115.26 118.46 1ljg n ASN 37 Ca 0.00 -0.87 -0.21 0.00 -0.60 0.00 0.00 54.58 52.90 1ljg n ASN 37 Cb 0.48 -3.54 -0.05 0.00 -0.53 0.00 0.00 39.78 36.14 1ljg n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ljg n PHE 38 N -4.52 -0.48 -3.58 1.20 3.72 -1.18 -4.86 117.46 107.75 1ljg n PHE 38 Ca -0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.95 1ljg n PHE 38 Cb 0.56 -3.71 -0.11 0.00 -0.94 0.00 0.00 39.48 35.28 1ljg n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ljg s ASN 39 N -2.43 5.81 0.46 4.37 2.47 -0.53 -1.32 114.94 123.77 1ljg s ASN 39 Ca 0.00 -0.76 0.32 0.00 0.42 0.00 0.00 52.86 52.84 1ljg s ASN 39 Cb 0.00 -2.06 1.51 0.00 -1.45 0.00 0.00 41.25 39.25 1ljg s ASN 39 CO 0.00 -0.32 1.95 0.71 -3.72 0.00 0.00 177.10 175.72 1ljg h THR 40 N 5.71 0.00 -0.01 -5.21 1.35 -1.38 -2.39 112.91 110.98 1ljg h THR 40 Ca -0.28 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1ljg h THR 40 Cb 1.13 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1ljg h THR 40 CO 0.66 0.00 -0.35 0.00 -0.25 0.00 0.00 175.52 175.58 1ljg n GLN 41 N -2.70 0.86 -1.67 4.72 1.13 -1.26 -4.16 117.38 114.29 1ljg n GLN 41 Ca -0.00 -0.58 -0.45 0.00 -1.94 0.00 0.00 57.00 54.03 1ljg n GLN 41 Cb 0.17 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 1ljg n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ljg n ALA 42 N -0.56 1.19 -2.98 -1.58 0.00 -0.90 -4.79 120.51 110.89 1ljg n ALA 42 Ca 0.11 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 1ljg n ALA 42 Cb 0.38 -2.28 -0.12 0.00 0.00 0.00 0.00 19.45 17.43 1ljg n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ljg s THR 43 N -0.07 0.06 -0.05 0.00 -4.23 -1.26 -1.29 115.64 108.80 1ljg s THR 43 Ca 0.68 -0.48 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1ljg s THR 43 Cb -0.64 -0.22 0.03 0.00 1.34 0.00 0.00 72.50 73.02 1ljg s THR 43 CO 0.50 -0.26 0.09 0.21 -0.54 0.00 0.00 174.62 174.61 1ljg s ASN 44 N -0.81 0.87 0.13 3.99 2.47 -0.84 -4.97 114.94 115.77 1ljg s ASN 44 Ca -0.09 0.15 -0.24 0.00 0.42 0.00 0.00 52.86 53.10 1ljg s ASN 44 Cb -0.05 -0.01 -0.07 0.00 -1.45 0.00 0.00 41.25 39.67 1ljg s ASN 44 CO -0.00 -0.23 0.74 -0.60 -3.72 0.00 0.00 177.10 173.29 1ljg s ARG 45 N 2.04 4.50 0.20 0.43 3.00 -1.26 -0.15 118.95 127.71 1ljg s ARG 45 Ca 0.02 1.08 0.05 0.00 -1.00 0.00 0.00 55.73 55.88 1ljg s ARG 45 Cb -0.12 -3.28 -0.03 0.00 0.00 0.00 0.00 34.95 31.52 1ljg s ARG 45 CO -0.04 0.52 0.24 -0.80 0.00 0.00 0.00 175.30 175.23 1ljg s ASN 46 N -0.93 5.92 0.00 -2.12 0.01 0.15 -4.95 114.94 113.02 1ljg s ASN 46 Ca 0.35 -0.03 0.17 0.00 -0.71 0.00 0.00 52.86 52.64 1ljg s ASN 46 Cb -0.22 -1.65 0.76 0.00 0.41 0.00 0.00 41.25 40.55 1ljg s ASN 46 CO 0.25 0.01 1.52 0.35 -1.51 0.00 0.00 177.10 177.72 1ljg n THR 47 N -0.82 0.74 1.05 1.60 -2.24 -1.26 -2.41 114.28 110.93 1ljg n THR 47 Ca -0.08 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1ljg n THR 47 Cb 0.56 -0.90 0.33 0.00 -2.10 0.00 0.00 70.33 68.22 1ljg n THR 47 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ljg n ASP 48 N -1.43 2.19 0.00 3.42 5.68 -1.26 -4.90 116.55 120.24 1ljg n ASP 48 Ca 0.05 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1ljg n ASP 48 Cb 0.17 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 1ljg n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ljg n GLY 49 N 1.25 0.63 3.99 6.12 0.00 -1.01 -4.88 105.19 111.28 1ljg n GLY 49 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1ljg n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljg s SER 50 N -2.96 5.87 0.02 1.61 1.04 -1.26 -4.51 113.70 113.52 1ljg s SER 50 Ca 0.00 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1ljg s SER 50 Cb 0.00 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 64.99 1ljg s SER 50 CO 0.00 -0.54 -0.06 -0.89 0.98 0.00 0.00 173.24 172.72 1ljg s THR 51 N -2.26 0.46 -0.15 2.02 2.01 -1.26 0.33 115.64 116.80 1ljg s THR 51 Ca 0.48 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 1ljg s THR 51 Cb -0.10 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 1ljg s THR 51 CO 0.32 -0.19 0.19 -1.81 -0.69 0.00 0.00 174.62 172.44 1ljg s ASP 52 N -0.98 6.37 0.01 3.53 1.01 0.78 -1.04 116.67 126.35 1ljg s ASP 52 Ca -0.05 0.43 0.08 0.00 0.71 0.00 0.00 52.55 53.72 1ljg s ASP 52 Cb -0.07 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1ljg s ASP 52 CO 0.00 0.26 -0.24 -0.31 0.21 0.00 0.00 175.17 175.09 1ljg s TYR 53 N -0.24 2.15 0.03 4.23 1.51 0.69 -1.98 117.35 123.75 1ljg s TYR 53 Ca 0.13 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1ljg s TYR 53 Cb -0.12 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 1ljg s TYR 53 CO 0.03 0.03 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1ljg n GLY 54 N 2.19 -1.99 0.40 0.71 0.00 -0.41 -0.87 105.19 105.22 1ljg n GLY 54 Ca -0.16 -1.38 0.22 0.00 0.00 0.00 0.00 46.02 44.70 1ljg n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ljg h ILE 55 N -0.14 0.54 -0.23 -0.61 2.10 -1.72 -0.02 117.51 117.43 1ljg h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ljg h ILE 55 Cb 0.13 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.52 1ljg h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1ljg n LEU 56 N -4.08 2.96 -3.93 2.19 4.77 -1.26 -4.13 117.00 113.53 1ljg n LEU 56 Ca 0.11 -2.35 -0.40 0.00 -0.03 0.00 0.00 56.01 53.34 1ljg n LEU 56 Cb 0.69 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1ljg n LEU 56 CO 0.33 0.67 -0.14 0.00 -1.33 0.00 0.00 177.39 176.92 1ljg n GLN 57 N -0.10 -0.66 -2.72 3.23 1.13 -0.02 -4.90 117.38 113.35 1ljg n GLN 57 Ca 0.12 0.28 -0.42 0.00 -1.94 0.00 0.00 57.00 55.05 1ljg n GLN 57 Cb 0.53 -2.93 -0.03 0.00 0.11 0.00 0.00 30.24 27.92 1ljg n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ljg s ILE 58 N -3.43 4.77 0.13 5.09 1.01 -0.05 -4.38 121.20 124.33 1ljg s ILE 58 Ca 0.42 2.06 -0.30 0.00 0.00 0.00 0.00 60.65 62.83 1ljg s ILE 58 Cb -0.21 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.88 1ljg s ILE 58 CO 0.93 0.20 1.05 0.21 0.00 0.00 0.00 174.94 177.34 1ljg s ASN 59 N 0.73 7.33 0.37 3.58 3.84 -1.26 -0.22 114.94 129.31 1ljg s ASN 59 Ca 0.51 1.95 0.27 0.00 0.21 0.00 0.00 52.86 55.79 1ljg s ASN 59 Cb -0.22 -2.59 0.92 0.00 -0.55 0.00 0.00 41.25 38.81 1ljg s ASN 59 CO 0.29 -0.20 1.78 0.77 -2.79 0.00 0.00 177.10 176.95 1ljg h SER 60 N 5.57 0.00 0.39 -4.21 4.64 -1.33 -2.52 113.55 116.09 1ljg h SER 60 Ca -0.43 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 1ljg h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1ljg h SER 60 CO 0.73 0.00 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.41 1ljg h ARG 61 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.39 114.38 116.35 1ljg h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ljg h ARG 61 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1ljg h ARG 61 CO 0.00 0.19 -0.39 0.91 -1.51 0.00 0.00 179.97 179.17 1ljg n TRP 62 N -3.81 0.00 -0.08 2.20 8.01 -1.23 -1.19 117.44 121.34 1ljg n TRP 62 Ca -0.02 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.12 1ljg n TRP 62 Cb 0.29 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.43 1ljg n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1ljg n TRP 63 N -0.89 0.00 -4.00 -5.99 7.02 -0.95 -2.11 117.44 110.52 1ljg n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1ljg n TRP 63 Cb 0.12 -0.86 -0.09 0.00 -2.42 0.00 0.00 31.31 28.07 1ljg n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ljg s ASN 65 N -2.90 5.77 0.00 0.00 2.47 -0.58 -4.58 114.94 115.12 1ljg s ASN 65 Ca 0.07 -0.06 0.04 0.00 0.42 0.00 0.00 52.86 53.33 1ljg s ASN 65 Cb 0.07 -2.06 0.11 0.00 -1.45 0.00 0.00 41.25 37.91 1ljg s ASN 65 CO -0.10 -0.04 1.07 -0.90 -3.72 0.00 0.00 177.10 173.41 1ljg n ASP 66 N 4.95 2.29 0.00 -4.21 5.68 -1.26 -1.69 116.55 122.31 1ljg n ASP 66 Ca -0.15 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 1ljg n ASP 66 Cb 0.52 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1ljg n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ljg n GLY 67 N -0.11 0.07 1.15 6.12 0.00 -1.26 -4.77 105.19 106.39 1ljg n GLY 67 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1ljg n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ljg n ARG 68 N -0.05 0.23 -4.07 1.61 1.85 -1.26 -5.03 116.66 109.95 1ljg n ARG 68 Ca 0.00 -1.98 -0.32 0.00 -1.00 0.00 0.00 57.85 54.55 1ljg n ARG 68 Cb 0.34 -0.34 -0.15 0.00 -1.05 0.00 0.00 32.46 31.25 1ljg n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ljg s THR 69 N -0.48 2.03 0.28 8.89 2.01 -1.26 -4.85 115.64 122.25 1ljg s THR 69 Ca 0.28 -1.33 -0.29 0.00 0.31 0.00 0.00 61.69 60.66 1ljg s THR 69 Cb 0.31 -2.05 -0.14 0.00 0.01 0.00 0.00 72.50 70.62 1ljg s THR 69 CO -0.12 0.16 1.09 -2.65 -0.69 0.00 0.00 174.62 172.41 1ljg n PRO 70 N 4.53 1.46 -4.15 4.92 -0.02 -1.26 -2.02 135.00 138.46 1ljg n PRO 70 Ca -0.16 0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 61.48 1ljg n PRO 70 Cb 0.45 -1.94 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 1ljg n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ljg n GLY 71 N 1.34 -0.43 3.80 -1.23 0.00 -1.26 -4.88 105.19 102.52 1ljg n GLY 71 Ca 0.10 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1ljg n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljg s SER 72 N -3.10 7.17 0.24 1.61 1.04 -0.85 -4.94 113.70 114.87 1ljg s SER 72 Ca 0.70 1.78 0.09 0.00 0.48 0.00 0.00 55.95 58.99 1ljg s SER 72 Cb -0.39 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.12 1ljg s SER 72 CO 0.86 -0.19 0.02 -0.60 0.98 0.00 0.00 173.24 174.31 1ljg s ARG 73 N -2.51 2.39 -0.52 4.02 3.52 -0.33 -4.97 118.95 120.55 1ljg s ARG 73 Ca 0.55 -1.30 0.07 0.00 -0.13 0.00 0.00 55.73 54.93 1ljg s ARG 73 Cb -0.15 -2.26 0.30 0.00 -1.56 0.00 0.00 34.95 31.29 1ljg s ARG 73 CO 0.19 0.39 0.78 -1.71 -0.81 0.00 0.00 175.30 174.14 1ljg n ASN 74 N -0.74 2.78 0.30 -2.12 5.15 -1.24 -3.69 115.26 115.69 1ljg n ASN 74 Ca -0.07 -3.31 0.16 0.00 -0.60 0.00 0.00 54.58 50.75 1ljg n ASN 74 Cb 0.58 -0.61 0.93 0.00 -0.53 0.00 0.00 39.78 40.14 1ljg n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ljg h LEU 75 N 3.46 0.00 -1.07 1.20 3.38 -1.55 -0.79 115.31 119.93 1ljg h LEU 75 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1ljg h LEU 75 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ljg h LEU 75 CO 0.69 0.02 -0.10 0.00 0.09 0.00 0.00 178.44 179.14 1ljg n ASN 77 N 0.23 -2.27 -3.70 0.00 2.85 -0.30 -5.00 115.26 107.07 1ljg n ASN 77 Ca 0.16 -0.76 -0.13 0.00 -0.11 0.00 0.00 54.58 53.74 1ljg n ASN 77 Cb 0.42 -4.27 -0.07 0.00 1.24 0.00 0.00 39.78 37.09 1ljg n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1ljg s ILE 78 N -3.53 0.06 0.34 -1.44 -5.25 -1.26 -5.08 121.20 105.04 1ljg s ILE 78 Ca 0.15 -0.51 -0.26 0.00 -0.99 0.00 0.00 60.65 59.04 1ljg s ILE 78 Cb -0.07 -0.92 -0.09 0.00 2.95 0.00 0.00 42.46 44.33 1ljg s ILE 78 CO 0.80 -0.28 1.04 -2.16 -1.79 0.00 0.00 174.94 172.54 1ljg s PRO 79 N -2.36 4.43 0.56 0.37 0.04 -1.26 -1.53 135.00 135.25 1ljg s PRO 79 Ca -0.06 1.57 0.24 0.00 0.04 0.00 0.00 61.00 62.79 1ljg s PRO 79 Cb -0.01 -2.84 1.52 0.00 0.04 0.00 0.00 34.50 33.21 1ljg s PRO 79 CO -0.02 0.09 2.13 0.00 0.04 0.00 0.00 177.00 179.24 1ljg h SER 81 N 0.00 0.00 0.70 0.00 4.64 -1.91 0.05 113.55 117.04 1ljg h SER 81 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ljg h SER 81 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ljg h SER 81 CO -0.00 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1ljg h ALA 82 N 1.92 1.00 -0.01 5.18 0.00 -1.49 -1.65 119.26 124.21 1ljg h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ljg h ALA 82 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ljg h ALA 82 CO 0.01 0.00 -0.09 1.28 0.00 0.00 0.00 179.25 180.45 1ljg n LEU 83 N -2.89 0.61 -1.32 0.00 4.77 0.00 -3.58 117.00 114.60 1ljg n LEU 83 Ca -0.00 -0.09 0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1ljg n LEU 83 Cb 0.23 -0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.51 1ljg n LEU 83 CO 0.23 0.11 0.78 0.18 -1.33 0.00 0.00 177.39 177.36 1ljg n LEU 84 N -0.76 4.60 -4.91 2.23 4.77 -0.62 -3.76 117.00 118.54 1ljg n LEU 84 Ca 0.16 -2.85 -0.27 0.00 -0.03 0.00 0.00 56.01 53.02 1ljg n LEU 84 Cb 0.27 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1ljg n LEU 84 CO 0.22 0.68 0.58 -0.94 -1.33 0.00 0.00 177.39 176.60 1ljg s SER 85 N -1.34 5.56 0.29 -1.43 1.04 -1.24 -4.54 113.70 112.04 1ljg s SER 85 Ca 0.47 0.80 0.26 0.00 0.48 0.00 0.00 55.95 57.95 1ljg s SER 85 Cb 0.35 -1.75 0.84 0.00 0.10 0.00 0.00 66.02 65.56 1ljg s SER 85 CO 0.14 -1.12 1.75 0.28 0.98 0.00 0.00 173.24 175.27 1ljg h SER 86 N -0.28 0.00 -3.74 7.02 0.02 -1.93 -3.41 113.55 111.23 1ljg h SER 86 Ca -0.45 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.87 1ljg h SER 86 Cb 1.26 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.65 1ljg h SER 86 CO 0.61 0.00 -0.28 -0.62 -1.14 0.00 0.00 176.83 175.41 1ljg s ASP 87 N -4.80 6.22 0.00 3.07 -1.08 -1.26 -4.96 116.67 113.86 1ljg s ASP 87 Ca 0.08 0.25 0.31 0.00 -0.52 0.00 0.00 52.55 52.66 1ljg s ASP 87 Cb 0.10 -2.20 1.66 0.00 -1.46 0.00 0.00 42.92 41.03 1ljg s ASP 87 CO 0.55 -0.16 2.09 2.30 0.52 0.00 0.00 175.17 180.47 1ljg n ILE 88 N 5.08 0.00 -0.24 4.11 -5.35 -1.26 -4.32 119.36 117.38 1ljg n ILE 88 Ca -0.09 -0.07 -0.02 0.00 -0.27 0.00 0.00 62.75 62.30 1ljg n ILE 88 Cb 0.51 -0.22 0.04 0.00 -1.74 0.00 0.00 39.64 38.23 1ljg n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ljg h THR 89 N 0.66 0.19 -0.20 7.28 2.02 -1.95 0.78 112.91 121.69 1ljg h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1ljg h THR 89 Cb 0.14 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1ljg h THR 89 CO 0.00 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.92 1ljg h ALA 90 N 1.35 0.19 -0.65 6.16 0.00 -1.86 -1.34 119.26 123.11 1ljg h ALA 90 Ca 0.30 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1ljg h ALA 90 Cb 0.55 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1ljg h ALA 90 CO -0.74 -0.40 0.22 0.77 0.00 0.00 0.00 179.25 179.09 1ljg h SER 91 N 0.10 0.90 -0.09 0.00 0.02 -1.59 -2.06 113.55 110.83 1ljg h SER 91 Ca 0.09 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1ljg h SER 91 Cb 0.10 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1ljg h SER 91 CO -0.13 0.84 0.00 0.58 -1.14 0.00 0.00 176.83 176.98 1ljg h VAL 92 N 0.95 1.24 -0.60 2.27 2.07 -0.51 0.13 116.25 121.80 1ljg h VAL 92 Ca 0.21 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1ljg h VAL 92 Cb 0.25 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1ljg h VAL 92 CO -0.01 0.22 0.31 0.78 0.02 0.00 0.00 177.57 178.89 1ljg h ASN 93 N -0.11 0.74 -0.20 0.57 2.35 -1.17 0.52 115.58 118.28 1ljg h ASN 93 Ca 0.03 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 1ljg h ASN 93 Cb 0.34 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1ljg h ASN 93 CO 0.00 0.61 -0.46 0.00 -1.65 0.00 0.00 177.43 175.93 1ljg h ALA 95 N 0.59 1.27 -0.15 0.00 0.00 0.00 -0.59 119.26 120.39 1ljg h ALA 95 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ljg h ALA 95 Cb 1.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ljg h ALA 95 CO 0.10 0.40 0.10 0.87 0.00 0.00 0.00 179.25 180.72 1ljg h LYS 96 N 1.11 0.13 0.11 0.00 1.57 -0.84 -0.44 116.57 118.21 1ljg h LYS 96 Ca 0.40 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.90 1ljg h LYS 96 Cb 0.12 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.41 1ljg h LYS 96 CO -0.16 0.09 -1.20 -0.22 -0.57 0.00 0.00 179.45 177.39 1ljg h LYS 97 N 0.13 0.34 -0.09 3.15 3.64 -1.09 -3.27 116.57 119.39 1ljg h LYS 97 Ca 0.06 -0.52 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1ljg h LYS 97 Cb 0.08 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ljg h LYS 97 CO -0.01 1.22 -0.00 0.82 -2.27 0.00 0.00 179.45 179.21 1ljg h ILE 98 N 0.12 1.25 0.00 2.00 2.04 -0.28 -2.79 117.51 119.86 1ljg h ILE 98 Ca -0.14 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1ljg h ILE 98 Cb 1.90 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 1ljg h ILE 98 CO 0.20 0.22 0.00 0.55 0.00 0.00 0.00 178.15 179.13 1ljg n VAL 99 N -4.82 1.25 0.03 1.67 3.14 -0.29 -0.92 118.33 118.38 1ljg n VAL 99 Ca -0.06 0.45 0.10 0.00 -2.96 0.00 0.00 64.34 61.87 1ljg n VAL 99 Cb 0.20 -1.38 0.22 0.00 -1.06 0.00 0.00 33.84 31.82 1ljg n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1ljg n SER 100 N -1.88 3.38 -0.80 6.55 7.64 -1.07 -3.68 113.62 123.76 1ljg n SER 100 Ca 0.01 -1.95 0.02 0.00 1.01 0.00 0.00 58.87 57.96 1ljg n SER 100 Cb 0.10 -0.29 0.12 0.00 -1.01 0.00 0.00 64.21 63.12 1ljg n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ljg n ASP 101 N 1.28 2.13 0.00 6.43 2.03 -0.10 -4.87 116.55 123.45 1ljg n ASP 101 Ca 0.18 -2.21 0.00 0.00 0.52 0.00 0.00 54.79 53.28 1ljg n ASP 101 Cb 0.55 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1ljg n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ljg n GLY 102 N 0.35 0.72 0.00 0.27 0.00 -1.26 -4.94 105.19 100.33 1ljg n GLY 102 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ljg n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ljg n ASN 103 N 0.00 0.48 0.00 1.61 3.02 -1.26 -5.13 115.26 113.98 1ljg n ASN 103 Ca 0.00 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1ljg n ASN 103 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1ljg n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ljg n GLY 104 N -0.11 1.27 0.00 7.41 0.00 -1.24 -1.62 105.19 110.90 1ljg n GLY 104 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1ljg n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ljg n MET 105 N 1.90 0.88 0.12 1.61 2.81 -1.26 -3.35 117.12 119.83 1ljg n MET 105 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.98 1ljg n MET 105 Cb 0.00 -1.39 0.45 0.00 -0.71 0.00 0.00 33.22 31.57 1ljg n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ljg n ASN 106 N -0.89 0.47 0.26 7.83 3.02 -0.64 -1.64 115.26 123.68 1ljg n ASN 106 Ca 0.17 0.67 0.12 0.00 -0.03 0.00 0.00 54.58 55.50 1ljg n ASN 106 Cb 0.08 -0.75 0.72 0.00 -0.61 0.00 0.00 39.78 39.22 1ljg n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ljg h ALA 107 N 2.13 1.45 -2.49 5.41 0.00 -1.71 -3.38 119.26 120.68 1ljg h ALA 107 Ca 0.00 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 54.14 1ljg h ALA 107 Cb 0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.73 1ljg h ALA 107 CO 0.00 0.13 -0.27 -1.58 0.00 0.00 0.00 179.25 177.52 1ljg s TRP 108 N -4.42 3.20 0.27 0.00 0.51 -0.65 -4.96 118.94 112.89 1ljg s TRP 108 Ca -0.04 -0.24 -0.00 0.00 -2.12 0.00 0.00 56.10 53.70 1ljg s TRP 108 Cb 0.14 -2.76 0.39 0.00 -0.81 0.00 0.00 33.47 30.43 1ljg s TRP 108 CO 0.60 -0.57 1.77 -0.24 -0.51 0.00 0.00 176.95 178.01 1ljg h VAL 109 N 5.63 1.24 -0.32 4.03 3.04 -1.85 -1.98 116.25 126.03 1ljg h VAL 109 Ca -0.28 -1.00 -0.10 0.00 -1.01 0.00 0.00 66.70 64.31 1ljg h VAL 109 Cb 1.13 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 1ljg h VAL 109 CO 0.74 0.35 -0.22 0.00 -1.01 0.00 0.00 177.57 177.43 1ljg h ALA 110 N 1.30 1.01 -0.25 3.17 0.00 -1.93 -0.18 119.26 122.38 1ljg h ALA 110 Ca 0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ljg h ALA 110 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ljg h ALA 110 CO 0.02 0.59 0.08 2.35 0.00 0.00 0.00 179.25 182.29 1ljg h TRP 111 N 0.55 0.41 -0.10 0.00 7.01 -1.77 0.11 115.95 122.16 1ljg h TRP 111 Ca 0.08 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.04 1ljg h TRP 111 Cb 0.68 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 1ljg h TRP 111 CO 0.03 0.45 0.07 -0.09 -2.79 0.00 0.00 178.44 176.11 1ljg h ARG 112 N 0.25 0.14 -0.12 2.65 1.12 -1.11 0.43 114.38 117.74 1ljg h ARG 112 Ca 0.08 -0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 58.79 1ljg h ARG 112 Cb 0.23 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 1ljg h ARG 112 CO -0.00 0.12 -0.57 -0.91 -3.11 0.00 0.00 179.97 175.49 1ljg h ASN 113 N 0.12 0.43 0.00 -3.80 2.35 -0.92 -3.35 115.58 110.41 1ljg h ASN 113 Ca 0.04 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1ljg h ASN 113 Cb 0.01 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1ljg h ASN 113 CO -0.01 0.91 -0.36 0.54 -1.65 0.00 0.00 177.43 176.86 1ljg n ARG 114 N -3.92 4.69 -0.03 0.81 1.74 0.38 -4.89 116.66 115.44 1ljg n ARG 114 Ca -0.03 -0.01 -0.05 0.00 -0.77 0.00 0.00 57.85 56.99 1ljg n ARG 114 Cb 0.61 -0.78 -0.02 0.00 -1.02 0.00 0.00 32.46 31.24 1ljg n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ljg n LYS 116 N -3.03 1.05 -0.93 0.00 4.81 -0.02 -1.22 118.16 118.82 1ljg n LYS 116 Ca -0.11 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1ljg n LYS 116 Cb 0.59 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1ljg n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ljg n GLY 117 N 2.84 0.74 4.02 3.14 0.00 -1.26 -4.99 105.19 109.67 1ljg n GLY 117 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1ljg n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ljg s THR 118 N -3.12 2.12 -1.27 2.61 -4.23 -0.36 -4.99 115.64 106.40 1ljg s THR 118 Ca 0.00 -0.87 -0.15 0.00 -1.18 0.00 0.00 61.69 59.49 1ljg s THR 118 Cb 0.00 -2.25 0.12 0.00 1.34 0.00 0.00 72.50 71.71 1ljg s THR 118 CO 0.00 0.00 1.64 -0.67 -0.54 0.00 0.00 174.62 175.05 1ljg n ASP 119 N -2.45 5.02 0.00 3.99 2.03 -1.26 -4.79 116.55 119.09 1ljg n ASP 119 Ca 0.16 -2.96 0.05 0.00 0.52 0.00 0.00 54.79 52.56 1ljg n ASP 119 Cb 0.61 -1.64 0.23 0.00 -0.72 0.00 0.00 41.12 39.60 1ljg n ASP 119 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ljg n VAL 120 N 5.29 1.26 0.24 5.18 0.24 -1.26 -2.55 118.33 126.72 1ljg n VAL 120 Ca 0.43 0.31 0.09 0.00 -2.04 0.00 0.00 64.34 63.13 1ljg n VAL 120 Cb 0.43 -1.13 0.60 0.00 -1.47 0.00 0.00 33.84 32.27 1ljg n VAL 120 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1ljg h GLN 121 N 0.00 0.00 0.00 7.34 4.15 -1.90 -2.32 115.11 122.38 1ljg h GLN 121 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ljg h GLN 121 Cb 0.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 1ljg h GLN 121 CO 0.00 0.18 -0.02 0.00 -1.93 0.00 0.00 178.83 177.06 1ljg h ALA 122 N 1.82 1.55 0.00 3.38 0.00 -1.90 -1.99 119.26 122.13 1ljg h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ljg h ALA 122 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ljg h ALA 122 CO 0.02 0.02 0.00 0.91 0.00 0.00 0.00 179.25 180.20 1ljg n TRP 123 N -3.91 0.15 0.28 0.00 7.02 -0.87 -2.26 117.44 117.85 1ljg n TRP 123 Ca -0.03 0.06 0.07 0.00 -1.02 0.00 0.00 57.50 56.58 1ljg n TRP 123 Cb 0.10 -0.59 0.12 0.00 -2.42 0.00 0.00 31.31 28.51 1ljg n TRP 123 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1ljg n ILE 124 N -1.64 0.40 -1.76 -0.99 -0.00 -0.75 -4.85 119.36 109.77 1ljg n ILE 124 Ca 0.03 -0.70 -0.41 0.00 -0.00 0.00 0.00 62.75 61.67 1ljg n ILE 124 Cb 0.19 0.99 -0.00 0.00 -0.00 0.00 0.00 39.64 40.82 1ljg n ILE 124 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1ljg n ARG 125 N 0.85 2.58 -0.36 0.38 1.85 -0.96 -1.98 116.66 119.02 1ljg n ARG 125 Ca 0.11 0.91 0.00 0.00 -1.00 0.00 0.00 57.85 57.87 1ljg n ARG 125 Cb 0.42 -2.61 0.00 0.00 -1.05 0.00 0.00 32.46 29.21 1ljg n ARG 125 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ljg n GLY 126 N 0.50 1.87 3.70 2.89 0.00 -1.26 -4.95 105.19 107.94 1ljg n GLY 126 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1ljg n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljg s ARG 128 N 1.25 3.69 0.00 0.00 3.00 -1.26 -5.11 118.95 120.52 1ljg s ARG 128 Ca 0.44 -2.22 0.25 0.00 0.00 0.00 0.00 55.73 54.21 1ljg s ARG 128 Cb -0.19 -4.71 0.37 0.00 0.00 0.00 0.00 34.95 30.42 1ljg s ARG 128 CO 0.21 -1.54 1.36 1.28 0.00 0.00 0.00 175.30 176.61