#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljj s VAL 2 N 0.00 4.05 0.41 3.15 1.01 -1.26 -1.07 120.40 126.69 1ljj s VAL 2 Ca 0.00 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1ljj s VAL 2 Cb 0.00 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 1ljj s VAL 2 CO 0.00 0.18 0.87 -0.36 0.00 0.00 0.00 175.10 175.79 1ljj s PHE 3 N 1.54 3.36 0.43 5.22 0.40 -0.14 -5.01 117.98 123.78 1ljj s PHE 3 Ca 0.04 1.42 -0.11 0.00 -0.60 0.00 0.00 56.93 57.68 1ljj s PHE 3 Cb -0.16 -2.71 -0.06 0.00 0.51 0.00 0.00 43.02 40.59 1ljj s PHE 3 CO 0.02 -0.09 0.81 0.20 0.70 0.00 0.00 175.22 176.87 1ljj s GLY 4 N -2.42 1.94 0.13 4.36 0.00 -1.26 -4.87 107.32 105.19 1ljj s GLY 4 Ca 0.58 -0.15 -0.27 0.00 0.00 0.00 0.00 44.72 44.89 1ljj s GLY 4 CO 0.19 0.06 1.62 -0.09 0.00 0.00 0.00 173.10 174.87 1ljj h ARG 5 N 1.13 -0.43 0.00 2.90 2.43 -1.97 -1.53 114.38 116.90 1ljj h ARG 5 Ca -0.47 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.67 1ljj h ARG 5 Cb 1.19 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1ljj h ARG 5 CO 0.63 -0.29 -0.27 0.00 -1.51 0.00 0.00 179.97 178.53 1ljj h GLU 7 N 0.00 0.63 -0.44 0.00 4.81 -1.85 -1.66 114.58 116.06 1ljj h GLU 7 Ca -0.00 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 1ljj h GLU 7 Cb 0.90 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1ljj h GLU 7 CO 0.04 0.78 -0.00 1.25 -0.73 0.00 0.00 179.01 180.34 1ljj h LEU 8 N 0.42 0.77 -0.51 1.64 6.46 -1.20 -1.73 115.31 121.16 1ljj h LEU 8 Ca 0.09 -0.31 0.05 0.00 -0.12 0.00 0.00 57.88 57.59 1ljj h LEU 8 Cb 0.52 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.20 1ljj h LEU 8 CO 0.03 0.89 0.24 0.00 -0.62 0.00 0.00 178.44 178.98 1ljj h ALA 9 N 0.91 0.65 -0.41 1.25 0.00 -1.33 0.13 119.26 120.46 1ljj h ALA 9 Ca 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ljj h ALA 9 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ljj h ALA 9 CO 0.02 -0.11 0.19 0.00 0.00 0.00 0.00 179.25 179.35 1ljj h ALA 10 N 1.29 0.52 -0.28 0.00 0.00 -1.12 -0.19 119.26 119.49 1ljj h ALA 10 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ljj h ALA 10 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ljj h ALA 10 CO -0.18 0.09 0.12 0.00 0.00 0.00 0.00 179.25 179.28 1ljj h ALA 11 N 1.04 0.36 -0.58 0.00 0.00 -0.84 -1.83 119.26 117.41 1ljj h ALA 11 Ca 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ljj h ALA 11 Cb 0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ljj h ALA 11 CO -0.02 -0.06 0.23 0.52 0.00 0.00 0.00 179.25 179.92 1ljj h MET 12 N 0.30 0.84 -0.55 0.00 2.86 -0.59 -2.10 114.93 115.69 1ljj h MET 12 Ca 0.09 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1ljj h MET 12 Cb 0.15 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1ljj h MET 12 CO -0.01 0.69 0.04 -0.22 1.06 0.00 0.00 176.91 178.48 1ljj h LYS 13 N 0.83 0.92 -0.07 1.72 3.64 -0.78 -1.96 116.57 120.87 1ljj h LYS 13 Ca 0.20 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1ljj h LYS 13 Cb 0.17 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1ljj h LYS 13 CO -0.02 0.88 -0.17 0.00 -2.27 0.00 0.00 179.45 177.88 1ljj h ARG 14 N 0.86 0.11 -0.74 1.90 3.08 -0.67 -2.07 114.38 116.85 1ljj h ARG 14 Ca 0.17 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1ljj h ARG 14 Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1ljj h ARG 14 CO 0.02 0.28 0.00 0.72 -1.07 0.00 0.00 179.97 179.92 1ljj n HIS 15 N -4.29 1.03 -2.43 3.04 8.25 -0.95 -4.91 115.22 114.96 1ljj n HIS 15 Ca -0.02 -0.36 -0.15 0.00 -0.26 0.00 0.00 57.72 56.93 1ljj n HIS 15 Cb 0.26 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1ljj n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ljj n GLY 16 N 0.41 -0.20 0.11 -1.41 0.00 -0.78 -4.93 105.19 98.39 1ljj n GLY 16 Ca 0.14 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1ljj n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ljj h LEU 17 N -0.30 0.00 -8.98 0.99 5.85 -1.53 -3.41 115.31 107.93 1ljj h LEU 17 Ca -0.35 -0.09 -0.57 0.00 0.84 0.00 0.00 57.88 57.71 1ljj h LEU 17 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1ljj h LEU 17 CO 0.40 0.04 1.26 -0.62 -0.34 0.00 0.00 178.44 179.18 1ljj s ASP 18 N -4.97 6.03 -0.53 1.25 2.15 -1.26 -2.06 116.67 117.29 1ljj s ASP 18 Ca 0.03 1.62 0.00 0.00 0.43 0.00 0.00 52.55 54.63 1ljj s ASP 18 Cb 0.11 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1ljj s ASP 18 CO 0.74 -1.54 0.00 0.59 -0.17 0.00 0.00 175.17 174.79 1ljj n ASN 19 N 9.65 -4.03 -4.67 -0.34 4.13 0.13 -4.87 115.26 115.25 1ljj n ASN 19 Ca 0.22 0.12 -0.42 0.00 1.68 0.00 0.00 54.58 56.19 1ljj n ASN 19 Cb 0.45 -1.97 -0.03 0.00 -1.54 0.00 0.00 39.78 36.69 1ljj n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1ljj s TYR 20 N -2.04 1.80 -1.44 3.10 5.04 -0.88 -1.35 117.35 121.58 1ljj s TYR 20 Ca 0.00 -0.15 -0.08 0.00 -2.44 0.00 0.00 57.07 54.40 1ljj s TYR 20 Cb 0.00 -4.15 0.05 0.00 0.35 0.00 0.00 41.96 38.20 1ljj s TYR 20 CO 0.00 -4.94 0.68 0.54 -1.34 0.00 0.00 175.55 170.48 1ljj n ARG 21 N 6.60 -4.69 -0.87 4.97 1.74 -1.26 -2.18 116.66 120.96 1ljj n ARG 21 Ca 0.18 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1ljj n ARG 21 Cb 0.40 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 26.33 1ljj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ljj n GLY 22 N -1.46 0.94 3.51 -0.13 0.00 -0.46 -5.02 105.19 102.57 1ljj n GLY 22 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1ljj n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ljj s TYR 23 N -3.74 3.20 0.74 1.61 2.02 -0.93 -4.92 117.35 115.33 1ljj s TYR 23 Ca 0.00 -0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 56.32 1ljj s TYR 23 Cb 0.00 -2.70 0.04 0.00 -0.40 0.00 0.00 41.96 38.90 1ljj s TYR 23 CO 0.00 -0.53 1.20 -1.54 -1.57 0.00 0.00 175.55 173.11 1ljj s SER 24 N 1.75 4.17 0.38 2.29 1.04 -1.26 -0.69 113.70 121.37 1ljj s SER 24 Ca 0.10 2.32 0.15 0.00 0.48 0.00 0.00 55.95 58.99 1ljj s SER 24 Cb -0.17 -2.58 0.99 0.00 0.10 0.00 0.00 66.02 64.36 1ljj s SER 24 CO 0.12 -2.28 1.80 0.25 0.98 0.00 0.00 173.24 174.11 1ljj h LEU 25 N -0.39 0.53 -1.58 2.42 5.85 -1.90 -0.16 115.31 120.08 1ljj h LEU 25 Ca -0.47 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.39 1ljj h LEU 25 Cb 1.29 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1ljj h LEU 25 CO 0.49 0.16 0.38 1.23 -0.34 0.00 0.00 178.44 180.37 1ljj h GLY 26 N 0.51 0.65 0.97 3.75 0.00 -1.91 -2.04 103.07 104.99 1ljj h GLY 26 Ca 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1ljj h GLY 26 CO -0.29 0.15 0.17 3.43 0.00 0.00 0.00 176.54 180.01 1ljj h ASN 27 N 0.51 0.68 -0.42 0.19 2.35 -1.24 -1.45 115.58 116.19 1ljj h ASN 27 Ca 0.25 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1ljj h ASN 27 Cb 0.35 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1ljj h ASN 27 CO -0.07 0.69 -0.03 -0.50 -1.65 0.00 0.00 177.43 175.86 1ljj h TRP 28 N 0.64 0.85 -0.56 1.19 4.06 -1.45 -0.34 115.95 120.35 1ljj h TRP 28 Ca 0.16 -0.16 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 1ljj h TRP 28 Cb 0.23 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 1ljj h TRP 28 CO 0.01 0.86 0.10 0.28 -3.56 0.00 0.00 178.44 176.13 1ljj h VAL 29 N 0.60 1.25 -0.66 1.49 2.07 -1.39 -1.24 116.25 118.37 1ljj h VAL 29 Ca 0.12 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1ljj h VAL 29 Cb 0.54 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1ljj h VAL 29 CO 0.03 0.35 0.26 0.00 0.02 0.00 0.00 177.57 178.23 1ljj h ALA 31 N 1.11 -0.02 -0.84 0.00 0.00 -0.71 -2.49 119.26 116.30 1ljj h ALA 31 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ljj h ALA 31 Cb 0.22 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1ljj h ALA 31 CO -0.02 -0.53 0.52 0.00 0.00 0.00 0.00 179.25 179.23 1ljj h ALA 32 N 0.95 1.07 -0.16 0.00 0.00 -0.96 0.35 119.26 120.51 1ljj h ALA 32 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ljj h ALA 32 Cb 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1ljj h ALA 32 CO -0.04 0.52 -0.18 -0.22 0.00 0.00 0.00 179.25 179.32 1ljj h LYS 33 N 1.15 -0.21 0.00 0.00 1.63 -0.74 -1.37 116.57 117.03 1ljj h LYS 33 Ca 0.30 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1ljj h LYS 33 Cb -0.07 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1ljj h LYS 33 CO -0.06 -0.14 -0.59 0.74 -3.45 0.00 0.00 179.45 175.95 1ljj h PHE 34 N -0.22 0.00 0.10 1.91 0.04 -1.28 0.30 116.94 117.79 1ljj h PHE 34 Ca 0.11 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.61 1ljj h PHE 34 Cb 0.38 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.56 1ljj h PHE 34 CO -0.31 0.00 -1.11 0.93 -0.60 0.00 0.00 178.31 177.22 1ljj h GLU 35 N 0.00 0.58 0.00 1.51 4.39 -0.80 -3.42 114.58 116.84 1ljj h GLU 35 Ca 0.00 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 58.95 1ljj h GLU 35 Cb 0.95 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1ljj h GLU 35 CO 0.00 1.33 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1ljj n SER 36 N -3.88 0.00 -3.59 1.42 3.41 -0.57 -4.83 113.62 105.58 1ljj n SER 36 Ca -0.13 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.25 1ljj n SER 36 Cb 0.92 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.95 1ljj n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ljj n ASN 37 N 0.00 -4.69 -1.95 4.04 5.15 0.11 -2.43 115.26 115.49 1ljj n ASN 37 Ca 0.00 -0.60 -0.20 0.00 -0.60 0.00 0.00 54.58 53.18 1ljj n ASN 37 Cb 0.31 -4.90 -0.05 0.00 -0.53 0.00 0.00 39.78 34.60 1ljj n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ljj n PHE 38 N -4.69 -0.49 -3.70 1.20 3.72 -1.17 -4.85 117.46 107.49 1ljj n PHE 38 Ca -0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.93 1ljj n PHE 38 Cb 0.60 -3.61 -0.12 0.00 -0.94 0.00 0.00 39.48 35.40 1ljj n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ljj s ASN 39 N -2.41 5.37 0.31 4.37 3.84 -1.02 -0.97 114.94 124.43 1ljj s ASN 39 Ca 0.00 -0.53 0.24 0.00 0.21 0.00 0.00 52.86 52.79 1ljj s ASN 39 Cb 0.00 -1.96 1.10 0.00 -0.55 0.00 0.00 41.25 39.84 1ljj s ASN 39 CO 0.00 -0.17 1.74 0.71 -2.79 0.00 0.00 177.10 176.59 1ljj h THR 40 N 5.70 0.00 -0.09 -5.21 1.35 -1.43 -2.98 112.91 110.26 1ljj h THR 40 Ca -0.33 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1ljj h THR 40 Cb 1.14 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1ljj h THR 40 CO 0.61 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 1ljj n GLN 41 N -2.33 2.27 -1.71 4.72 6.02 -1.26 -4.05 117.38 121.04 1ljj n GLN 41 Ca 0.01 -1.86 -0.42 0.00 -0.01 0.00 0.00 57.00 54.72 1ljj n GLN 41 Cb 0.19 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1ljj n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ljj n ALA 42 N 1.22 1.40 -3.19 -1.58 0.00 -1.13 -4.76 120.51 112.47 1ljj n ALA 42 Ca 0.16 0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.78 1ljj n ALA 42 Cb 0.57 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 1ljj n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ljj s THR 43 N -1.14 0.03 -0.17 0.00 -4.23 -1.26 -0.77 115.64 108.10 1ljj s THR 43 Ca 0.58 -0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1ljj s THR 43 Cb -0.53 -0.48 0.06 0.00 1.34 0.00 0.00 72.50 72.89 1ljj s THR 43 CO 0.61 -0.12 0.10 0.21 -0.54 0.00 0.00 174.62 174.88 1ljj s ASN 44 N -0.44 2.21 -0.05 3.99 3.84 -0.27 -4.94 114.94 119.26 1ljj s ASN 44 Ca -0.06 -0.55 -0.30 0.00 0.21 0.00 0.00 52.86 52.17 1ljj s ASN 44 Cb -0.04 -0.18 -0.03 0.00 -0.55 0.00 0.00 41.25 40.45 1ljj s ASN 44 CO 0.02 -0.34 1.10 -0.60 -2.79 0.00 0.00 177.10 174.48 1ljj s ARG 45 N 2.16 4.41 0.15 0.43 3.00 -1.26 -0.53 118.95 127.31 1ljj s ARG 45 Ca 0.03 1.55 0.02 0.00 -1.00 0.00 0.00 55.73 56.32 1ljj s ARG 45 Cb -0.16 -3.51 -0.04 0.00 0.00 0.00 0.00 34.95 31.24 1ljj s ARG 45 CO -0.09 -0.32 0.30 -0.80 0.00 0.00 0.00 175.30 174.38 1ljj s ASN 46 N 1.23 6.35 0.58 -2.12 0.01 0.26 -4.97 114.94 116.28 1ljj s ASN 46 Ca 0.53 0.22 0.38 0.00 -0.71 0.00 0.00 52.86 53.28 1ljj s ASN 46 Cb -0.22 -1.93 1.93 0.00 0.41 0.00 0.00 41.25 41.43 1ljj s ASN 46 CO 0.22 0.04 2.16 0.71 -1.51 0.00 0.00 177.10 178.72 1ljj h THR 47 N 1.65 0.00 -0.17 1.60 1.35 -1.97 -2.14 112.91 113.24 1ljj h THR 47 Ca -0.48 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1ljj h THR 47 Cb 1.19 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1ljj h THR 47 CO 0.69 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 1ljj n ASP 48 N -2.96 1.26 0.00 5.36 5.75 -1.26 -4.85 116.55 119.85 1ljj n ASP 48 Ca -0.01 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1ljj n ASP 48 Cb 0.15 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1ljj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ljj n GLY 49 N 0.63 0.86 3.93 6.12 0.00 -0.80 -4.77 105.19 111.16 1ljj n GLY 49 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1ljj n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ljj s SER 50 N -2.91 5.53 0.01 1.61 1.04 -1.24 -4.54 113.70 113.21 1ljj s SER 50 Ca 0.00 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 55.93 1ljj s SER 50 Cb 0.00 -0.94 0.00 0.00 0.10 0.00 0.00 66.02 65.18 1ljj s SER 50 CO 0.00 -0.49 0.15 0.42 0.98 0.00 0.00 173.24 174.30 1ljj s THR 51 N -2.30 0.09 -0.14 2.02 -4.23 -1.26 0.92 115.64 110.73 1ljj s THR 51 Ca 0.46 -0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 60.09 1ljj s THR 51 Cb -0.07 -0.56 -0.05 0.00 1.34 0.00 0.00 72.50 73.16 1ljj s THR 51 CO 0.29 -0.41 0.29 -1.81 -0.54 0.00 0.00 174.62 172.44 1ljj s ASP 52 N -1.56 6.46 -0.03 3.99 1.01 0.31 -1.67 116.67 125.19 1ljj s ASP 52 Ca -0.12 0.53 0.07 0.00 0.71 0.00 0.00 52.55 53.74 1ljj s ASP 52 Cb -0.06 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1ljj s ASP 52 CO 0.00 0.15 -0.24 -0.31 0.21 0.00 0.00 175.17 174.98 1ljj s TYR 53 N 0.21 2.39 0.02 4.23 1.51 0.26 -1.12 117.35 124.85 1ljj s TYR 53 Ca 0.17 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1ljj s TYR 53 Cb -0.13 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1ljj s TYR 53 CO 0.04 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.89 1ljj n GLY 54 N 2.42 -2.07 0.42 0.71 0.00 0.05 -1.65 105.19 105.08 1ljj n GLY 54 Ca -0.16 -1.42 0.23 0.00 0.00 0.00 0.00 46.02 44.67 1ljj n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ljj h ILE 55 N -0.10 0.63 -0.35 -0.61 2.10 -1.70 -0.26 117.51 117.23 1ljj h ILE 55 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1ljj h ILE 55 Cb 0.10 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.24 1ljj h ILE 55 CO 0.00 0.04 0.00 0.18 -1.08 0.00 0.00 178.15 177.29 1ljj n LEU 56 N -4.40 3.46 -4.03 2.19 4.77 -1.26 -4.07 117.00 113.66 1ljj n LEU 56 Ca 0.18 -2.42 -0.43 0.00 -0.03 0.00 0.00 56.01 53.31 1ljj n LEU 56 Cb 0.80 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1ljj n LEU 56 CO 0.35 0.72 -0.19 0.00 -1.33 0.00 0.00 177.39 176.94 1ljj n GLN 57 N 0.20 -0.49 -2.88 3.23 1.13 -0.11 -4.90 117.38 113.56 1ljj n GLN 57 Ca 0.17 0.21 -0.41 0.00 -1.94 0.00 0.00 57.00 55.03 1ljj n GLN 57 Cb 0.64 -2.40 -0.04 0.00 0.11 0.00 0.00 30.24 28.55 1ljj n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ljj s ILE 58 N -3.41 4.79 0.09 5.09 1.01 -0.66 -4.48 121.20 123.63 1ljj s ILE 58 Ca 0.39 1.79 -0.27 0.00 0.00 0.00 0.00 60.65 62.55 1ljj s ILE 58 Cb -0.22 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 1ljj s ILE 58 CO 0.96 0.28 0.86 0.21 0.00 0.00 0.00 174.94 177.25 1ljj s ASN 59 N 0.41 7.37 0.26 3.58 3.84 -1.26 -0.58 114.94 128.56 1ljj s ASN 59 Ca 0.43 1.64 0.24 0.00 0.21 0.00 0.00 52.86 55.38 1ljj s ASN 59 Cb -0.21 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 38.94 1ljj s ASN 59 CO 0.25 0.00 1.73 -1.54 -2.79 0.00 0.00 177.10 174.75 1ljj n SER 60 N 2.64 0.72 0.05 -4.21 3.41 -0.67 -2.43 113.62 113.14 1ljj n SER 60 Ca -0.01 0.66 0.02 0.00 -0.26 0.00 0.00 58.87 59.29 1ljj n SER 60 Cb 0.49 -0.82 0.38 0.00 -0.26 0.00 0.00 64.21 64.01 1ljj n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ljj h ARG 61 N 0.00 0.42 0.00 4.33 9.65 -1.85 -3.39 114.38 123.54 1ljj h ARG 61 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1ljj h ARG 61 Cb 0.42 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1ljj h ARG 61 CO 0.00 0.41 -0.77 0.91 2.80 0.00 0.00 179.97 183.32 1ljj n TRP 62 N -4.36 0.00 -0.05 2.20 7.02 -1.22 -2.20 117.44 118.83 1ljj n TRP 62 Ca 0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.39 1ljj n TRP 62 Cb 0.18 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.92 1ljj n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ljj n TRP 63 N -1.89 0.58 -4.21 -5.99 7.02 -1.02 -0.84 117.44 111.10 1ljj n TRP 63 Ca 0.00 0.20 -0.12 0.00 -1.02 0.00 0.00 57.50 56.57 1ljj n TRP 63 Cb 0.38 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 28.07 1ljj n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ljj s ASN 65 N -3.13 4.63 -0.03 0.00 2.47 -0.37 -4.64 114.94 113.88 1ljj s ASN 65 Ca 0.26 -0.30 0.08 0.00 0.42 0.00 0.00 52.86 53.32 1ljj s ASN 65 Cb 0.07 -1.81 0.21 0.00 -1.45 0.00 0.00 41.25 38.27 1ljj s ASN 65 CO 0.04 -0.00 1.16 -0.90 -3.72 0.00 0.00 177.10 173.68 1ljj n ASP 66 N 4.69 2.61 0.00 -4.21 5.68 -1.26 -1.27 116.55 122.79 1ljj n ASP 66 Ca -0.17 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 1ljj n ASP 66 Cb 0.51 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1ljj n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ljj n GLY 67 N -0.15 1.13 0.03 6.12 0.00 -1.26 -4.71 105.19 106.34 1ljj n GLY 67 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1ljj n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ljj n ARG 68 N -1.91 2.39 -3.98 1.61 1.85 -1.26 -5.04 116.66 110.32 1ljj n ARG 68 Ca 0.00 -1.81 -0.35 0.00 -1.00 0.00 0.00 57.85 54.69 1ljj n ARG 68 Cb 0.00 -1.14 -0.09 0.00 -1.05 0.00 0.00 32.46 30.18 1ljj n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ljj s THR 69 N -1.56 4.94 0.17 8.89 2.01 -1.26 -4.92 115.64 123.91 1ljj s THR 69 Ca 0.10 0.01 -0.33 0.00 0.31 0.00 0.00 61.69 61.78 1ljj s THR 69 Cb 0.09 -3.21 -0.16 0.00 0.01 0.00 0.00 72.50 69.23 1ljj s THR 69 CO 0.01 0.49 1.20 -2.65 -0.69 0.00 0.00 174.62 172.98 1ljj n PRO 70 N 3.21 1.25 0.00 4.92 -0.02 -1.26 -1.80 135.00 141.29 1ljj n PRO 70 Ca -0.17 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1ljj n PRO 70 Cb 0.53 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1ljj n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ljj n GLY 71 N 2.07 0.31 0.78 -1.23 0.00 -1.26 -4.70 105.19 101.15 1ljj n GLY 71 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ljj n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ljj n SER 72 N 0.62 -0.95 -4.97 1.61 2.88 -0.75 -4.95 113.62 107.11 1ljj n SER 72 Ca 0.00 0.07 -0.22 0.00 -1.33 0.00 0.00 58.87 57.40 1ljj n SER 72 Cb 0.00 -0.22 0.04 0.00 -0.75 0.00 0.00 64.21 63.28 1ljj n SER 72 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ljj s ARG 73 N -0.11 2.51 -0.38 -1.46 0.52 -0.93 -5.02 118.95 114.08 1ljj s ARG 73 Ca 0.00 -0.71 0.10 0.00 -0.52 0.00 0.00 55.73 54.60 1ljj s ARG 73 Cb 0.00 -2.45 0.30 0.00 0.52 0.00 0.00 34.95 33.32 1ljj s ARG 73 CO 0.00 -0.77 0.64 -1.71 0.02 0.00 0.00 175.30 173.48 1ljj n ASN 74 N -2.41 0.43 0.32 0.23 5.15 -1.21 -4.20 115.26 113.57 1ljj n ASN 74 Ca 0.08 -2.87 0.20 0.00 -0.60 0.00 0.00 54.58 51.38 1ljj n ASN 74 Cb 0.60 -0.56 1.11 0.00 -0.53 0.00 0.00 39.78 40.39 1ljj n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ljj h LEU 75 N 3.48 0.00 -0.83 1.20 3.38 -1.06 0.47 115.31 121.95 1ljj h LEU 75 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ljj h LEU 75 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ljj h LEU 75 CO 0.47 0.00 -0.32 0.00 0.09 0.00 0.00 178.44 178.68 1ljj n ASN 77 N -0.20 -4.06 -3.62 0.00 5.15 0.16 -4.98 115.26 107.71 1ljj n ASN 77 Ca 0.11 -0.90 -0.15 0.00 -0.60 0.00 0.00 54.58 53.04 1ljj n ASN 77 Cb 0.42 -3.92 -0.07 0.00 -0.53 0.00 0.00 39.78 35.68 1ljj n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ljj s ILE 78 N -3.54 0.03 0.33 -1.44 -4.36 -1.26 -5.08 121.20 105.88 1ljj s ILE 78 Ca 0.31 -0.24 -0.28 0.00 -0.26 0.00 0.00 60.65 60.18 1ljj s ILE 78 Cb -0.09 -0.88 -0.09 0.00 1.25 0.00 0.00 42.46 42.65 1ljj s ILE 78 CO 0.82 -0.13 1.10 -2.16 0.24 0.00 0.00 174.94 174.82 1ljj s PRO 79 N -1.69 4.44 0.40 0.37 0.04 -1.26 -1.24 135.00 136.07 1ljj s PRO 79 Ca -0.10 1.76 0.11 0.00 0.04 0.00 0.00 61.00 62.81 1ljj s PRO 79 Cb -0.02 -2.97 0.93 0.00 0.04 0.00 0.00 34.50 32.49 1ljj s PRO 79 CO 0.04 0.05 1.95 0.00 0.04 0.00 0.00 177.00 179.08 1ljj h SER 81 N 0.54 0.00 0.25 0.00 4.64 -1.91 0.27 113.55 117.33 1ljj h SER 81 Ca 0.32 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.63 1ljj h SER 81 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1ljj h SER 81 CO -0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.82 1ljj h ALA 82 N 1.59 1.20 -0.03 5.18 0.00 -1.48 -0.06 119.26 125.65 1ljj h ALA 82 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ljj h ALA 82 Cb 1.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1ljj h ALA 82 CO -0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1ljj n LEU 83 N -3.41 0.76 -0.65 0.00 4.77 0.93 -3.34 117.00 116.06 1ljj n LEU 83 Ca -0.02 -0.28 0.09 0.00 -0.03 0.00 0.00 56.01 55.77 1ljj n LEU 83 Cb 0.15 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.28 1ljj n LEU 83 CO 0.26 0.14 0.46 0.18 -1.33 0.00 0.00 177.39 177.10 1ljj n LEU 84 N -0.36 2.32 -4.76 2.23 4.32 -0.04 -3.66 117.00 117.05 1ljj n LEU 84 Ca 0.19 -0.93 -0.31 0.00 -0.02 0.00 0.00 56.01 54.95 1ljj n LEU 84 Cb 0.22 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.11 1ljj n LEU 84 CO 0.15 0.41 0.70 -0.55 -1.22 0.00 0.00 177.39 176.88 1ljj s SER 85 N -1.72 4.44 0.31 -1.43 0.15 -1.21 -4.40 113.70 109.82 1ljj s SER 85 Ca 0.20 1.80 0.25 0.00 0.70 0.00 0.00 55.95 58.90 1ljj s SER 85 Cb 0.15 -2.50 0.71 0.00 -1.71 0.00 0.00 66.02 62.68 1ljj s SER 85 CO 0.30 -2.08 1.73 0.77 1.20 0.00 0.00 173.24 175.17 1ljj h SER 86 N -1.16 0.00 -3.54 5.45 4.64 -1.92 -3.41 113.55 113.61 1ljj h SER 86 Ca -0.44 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.26 1ljj h SER 86 Cb 1.23 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.20 1ljj h SER 86 CO 0.52 0.00 0.17 -0.62 -0.87 0.00 0.00 176.83 176.03 1ljj s ASP 87 N -5.10 6.47 0.00 4.97 2.15 -1.26 -4.96 116.67 118.94 1ljj s ASP 87 Ca 0.08 0.30 0.23 0.00 0.43 0.00 0.00 52.55 53.60 1ljj s ASP 87 Cb 0.10 -2.34 1.40 0.00 -0.30 0.00 0.00 42.92 41.78 1ljj s ASP 87 CO 0.60 -0.56 1.89 2.30 -0.17 0.00 0.00 175.17 179.23 1ljj n ILE 88 N 5.52 0.00 -0.11 4.11 -5.35 -1.26 -4.38 119.36 117.89 1ljj n ILE 88 Ca -0.01 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.40 1ljj n ILE 88 Cb 0.49 -0.38 -0.01 0.00 -1.74 0.00 0.00 39.64 37.99 1ljj n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ljj h THR 89 N 0.00 0.26 -0.27 7.28 2.02 -1.94 -0.45 112.91 119.81 1ljj h THR 89 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1ljj h THR 89 Cb 0.00 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1ljj h THR 89 CO 0.00 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.00 1ljj h ALA 90 N 0.81 0.31 -0.74 6.16 0.00 -1.84 -0.79 119.26 123.17 1ljj h ALA 90 Ca 0.17 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ljj h ALA 90 Cb 0.53 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ljj h ALA 90 CO -0.53 -0.29 0.48 0.77 0.00 0.00 0.00 179.25 179.68 1ljj h SER 91 N 0.25 0.80 -0.29 0.00 0.02 -1.70 -1.14 113.55 111.50 1ljj h SER 91 Ca 0.11 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1ljj h SER 91 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1ljj h SER 91 CO -0.10 0.56 -0.09 0.58 -1.14 0.00 0.00 176.83 176.65 1ljj h VAL 92 N 0.95 1.29 -0.38 2.27 2.07 -0.76 0.18 116.25 121.86 1ljj h VAL 92 Ca 0.29 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 1ljj h VAL 92 Cb -0.03 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1ljj h VAL 92 CO -0.09 0.36 -0.08 0.78 0.02 0.00 0.00 177.57 178.56 1ljj h ASN 93 N 0.32 0.63 -0.25 0.57 2.35 -1.01 -1.82 115.58 116.36 1ljj h ASN 93 Ca 0.07 -0.16 -0.18 0.00 -0.55 0.00 0.00 56.30 55.48 1ljj h ASN 93 Cb 0.58 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1ljj h ASN 93 CO 0.03 0.75 -0.54 0.00 -1.65 0.00 0.00 177.43 176.02 1ljj h ALA 95 N 0.65 2.03 -0.51 0.00 0.00 -0.60 -1.33 119.26 119.49 1ljj h ALA 95 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ljj h ALA 95 Cb 1.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ljj h ALA 95 CO 0.12 -0.07 -0.02 0.87 0.00 0.00 0.00 179.25 180.15 1ljj h LYS 96 N 0.15 0.87 -0.11 0.00 1.57 -1.08 -1.24 116.57 116.73 1ljj h LYS 96 Ca 0.10 -0.25 -0.21 0.00 -1.87 0.00 0.00 60.65 58.42 1ljj h LYS 96 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ljj h LYS 96 CO -0.02 0.88 -0.78 0.87 -0.57 0.00 0.00 179.45 179.84 1ljj h LYS 97 N 0.80 0.61 -0.03 3.15 1.57 -1.24 -2.94 116.57 118.49 1ljj h LYS 97 Ca 0.15 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1ljj h LYS 97 Cb 0.50 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ljj h LYS 97 CO 0.03 1.13 0.00 0.82 -0.57 0.00 0.00 179.45 180.86 1ljj h ILE 98 N 0.41 1.22 0.00 1.86 2.04 -1.19 -2.69 117.51 119.15 1ljj h ILE 98 Ca -0.05 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1ljj h ILE 98 Cb 1.38 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1ljj h ILE 98 CO 0.15 0.17 0.00 1.62 0.00 0.00 0.00 178.15 180.09 1ljj h VAL 99 N -0.22 0.00 -0.45 1.67 3.04 -1.30 0.42 116.25 119.41 1ljj h VAL 99 Ca 0.01 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1ljj h VAL 99 Cb 0.28 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1ljj h VAL 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 1ljj n SER 100 N -2.82 3.06 -0.26 3.17 7.64 -1.04 -3.67 113.62 119.70 1ljj n SER 100 Ca -0.01 -1.95 0.10 0.00 1.01 0.00 0.00 58.87 58.02 1ljj n SER 100 Cb 0.15 -0.29 0.50 0.00 -1.01 0.00 0.00 64.21 63.55 1ljj n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ljj n ASP 101 N 1.20 0.78 0.00 6.43 2.03 0.14 -4.91 116.55 122.22 1ljj n ASP 101 Ca 0.19 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.98 1ljj n ASP 101 Cb 0.52 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1ljj n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ljj n GLY 102 N 0.96 0.69 0.00 0.27 0.00 -1.26 -4.94 105.19 100.91 1ljj n GLY 102 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ljj n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ljj n ASN 103 N 0.00 1.20 0.00 1.61 4.05 -1.26 -5.11 115.26 115.75 1ljj n ASN 103 Ca 0.00 -1.46 0.00 0.00 0.45 0.00 0.00 54.58 53.57 1ljj n ASN 103 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1ljj n ASN 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ljj n GLY 104 N -0.23 3.04 0.28 8.20 0.00 -1.24 -1.94 105.19 113.30 1ljj n GLY 104 Ca 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1ljj n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ljj n MET 105 N 14.00 1.37 0.00 1.61 2.81 -1.26 -3.55 117.12 132.10 1ljj n MET 105 Ca 0.00 -0.55 0.07 0.00 -1.81 0.00 0.00 57.70 55.41 1ljj n MET 105 Cb 0.00 -1.43 0.31 0.00 -0.71 0.00 0.00 33.22 31.39 1ljj n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ljj n ASN 106 N -0.29 0.00 0.16 7.83 3.02 -0.82 -1.57 115.26 123.59 1ljj n ASN 106 Ca 0.19 0.32 0.13 0.00 -0.03 0.00 0.00 54.58 55.19 1ljj n ASN 106 Cb 0.23 -0.41 0.54 0.00 -0.61 0.00 0.00 39.78 39.53 1ljj n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ljj h ALA 107 N 2.54 1.00 -2.69 5.41 0.00 -1.72 -3.38 119.26 120.42 1ljj h ALA 107 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1ljj h ALA 107 Cb 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.70 1ljj h ALA 107 CO 0.00 0.00 -0.44 -1.58 0.00 0.00 0.00 179.25 177.23 1ljj s TRP 108 N -3.40 3.33 0.16 0.00 0.51 -0.61 -4.98 118.94 113.94 1ljj s TRP 108 Ca 0.04 -1.45 -0.22 0.00 -2.12 0.00 0.00 56.10 52.35 1ljj s TRP 108 Cb 0.09 -3.04 0.05 0.00 -0.81 0.00 0.00 33.47 29.76 1ljj s TRP 108 CO 0.43 -0.85 1.63 0.28 -0.51 0.00 0.00 176.95 177.93 1ljj h VAL 109 N 6.02 0.39 -0.74 4.03 2.07 -1.85 -1.05 116.25 125.12 1ljj h VAL 109 Ca -0.24 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.38 1ljj h VAL 109 Cb 1.09 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1ljj h VAL 109 CO 0.79 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.86 1ljj h ALA 110 N 0.88 1.85 -0.31 1.67 0.00 -1.93 -0.76 119.26 120.65 1ljj h ALA 110 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ljj h ALA 110 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ljj h ALA 110 CO -0.42 -0.01 0.02 2.35 0.00 0.00 0.00 179.25 181.20 1ljj h TRP 111 N 0.62 0.57 -0.78 0.00 7.01 -1.53 0.17 115.95 122.01 1ljj h TRP 111 Ca 0.34 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 1ljj h TRP 111 Cb 0.49 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.36 1ljj h TRP 111 CO -0.00 0.64 0.44 0.00 -2.79 0.00 0.00 178.44 176.73 1ljj h ARG 112 N 0.34 1.08 0.00 2.65 3.08 -0.28 0.16 114.38 121.40 1ljj h ARG 112 Ca 0.09 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1ljj h ARG 112 Cb 0.40 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1ljj h ARG 112 CO 0.01 0.78 -0.97 -0.91 -1.07 0.00 0.00 179.97 177.80 1ljj h ASN 113 N 1.09 0.00 0.00 7.04 -0.26 -1.07 -3.38 115.58 119.01 1ljj h ASN 113 Ca 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1ljj h ASN 113 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1ljj h ASN 113 CO -0.05 0.64 -0.70 0.54 -1.06 0.00 0.00 177.43 176.80 1ljj n ARG 114 N -3.12 1.86 -0.05 0.81 5.12 0.03 -4.89 116.66 116.42 1ljj n ARG 114 Ca -0.04 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.80 1ljj n ARG 114 Cb 0.82 -0.84 -0.05 0.00 -1.16 0.00 0.00 32.46 31.24 1ljj n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ljj n LYS 116 N -3.00 1.80 -0.84 0.00 4.81 0.07 -1.68 118.16 119.32 1ljj n LYS 116 Ca -0.20 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1ljj n LYS 116 Cb 0.69 -2.36 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1ljj n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ljj n GLY 117 N 2.94 0.82 3.86 3.14 0.00 -1.26 -4.96 105.19 109.74 1ljj n GLY 117 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1ljj n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ljj s THR 118 N -3.19 2.23 -1.18 2.61 -1.32 -0.68 -5.03 115.64 109.09 1ljj s THR 118 Ca 0.00 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 58.88 1ljj s THR 118 Cb 0.00 -2.69 0.16 0.00 -1.51 0.00 0.00 72.50 68.46 1ljj s THR 118 CO 0.00 0.00 1.42 -0.62 -2.21 0.00 0.00 174.62 173.21 1ljj s ASP 119 N -4.15 7.01 0.34 8.08 2.15 -1.26 -4.81 116.67 124.03 1ljj s ASP 119 Ca 0.42 -2.85 0.23 0.00 0.43 0.00 0.00 52.55 50.78 1ljj s ASP 119 Cb -0.01 -2.41 1.25 0.00 -0.30 0.00 0.00 42.92 41.44 1ljj s ASP 119 CO 0.25 -0.81 1.70 -0.37 -0.17 0.00 0.00 175.17 175.77 1ljj h VAL 120 N 4.85 0.00 0.00 1.11 -1.51 -1.90 -1.82 116.25 116.98 1ljj h VAL 120 Ca 0.31 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.77 1ljj h VAL 120 Cb 0.89 0.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1ljj h VAL 120 CO 1.24 0.00 -0.01 -0.61 -1.23 0.00 0.00 177.57 176.97 1ljj h GLN 121 N 0.00 0.00 -0.01 5.19 5.75 -1.87 -1.02 115.11 123.15 1ljj h GLN 121 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1ljj h GLN 121 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1ljj h GLN 121 CO 0.00 0.01 0.01 0.00 -2.65 0.00 0.00 178.83 176.20 1ljj h ALA 122 N 1.99 1.93 0.00 3.38 0.00 -1.72 -1.45 119.26 123.39 1ljj h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ljj h ALA 122 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ljj h ALA 122 CO 0.00 -0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.15 1ljj n TRP 123 N -4.42 0.41 -0.68 0.00 7.02 -0.39 -1.62 117.44 117.76 1ljj n TRP 123 Ca -0.03 0.17 0.07 0.00 -1.02 0.00 0.00 57.50 56.69 1ljj n TRP 123 Cb 0.10 -0.77 0.13 0.00 -2.42 0.00 0.00 31.31 28.35 1ljj n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ljj n ILE 124 N -1.88 1.64 -1.99 -0.99 -5.35 -0.56 -4.82 119.36 105.42 1ljj n ILE 124 Ca 0.02 -1.73 -0.42 0.00 -0.27 0.00 0.00 62.75 60.36 1ljj n ILE 124 Cb 0.18 0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 38.08 1ljj n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ljj s ARG 125 N -2.18 4.25 0.00 6.28 3.52 -0.64 -2.23 118.95 127.95 1ljj s ARG 125 Ca 0.25 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1ljj s ARG 125 Cb 0.20 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1ljj s ARG 125 CO 0.05 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 1ljj n GLY 126 N 2.87 2.27 0.08 8.12 0.00 -1.26 -4.86 105.19 112.41 1ljj n GLY 126 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1ljj n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ljj n ARG 128 N -3.45 -0.57 0.00 0.00 1.74 -1.26 -5.11 116.66 108.01 1ljj n ARG 128 Ca -0.03 0.09 0.13 0.00 -0.77 0.00 0.00 57.85 57.27 1ljj n ARG 128 Cb 0.94 -1.76 0.76 0.00 -1.02 0.00 0.00 32.46 31.37 1ljj n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39