#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj n SER 2 N 0.00 3.03 -3.01 4.04 2.88 -1.26 -5.08 113.62 114.21 1lkj n SER 2 Ca 0.00 -3.02 -0.09 0.00 -1.33 0.00 0.00 58.87 54.43 1lkj n SER 2 Cb 0.00 -0.46 0.04 0.00 -0.75 0.00 0.00 64.21 63.04 1lkj n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1lkj n ASN 3 N -0.43 0.58 -4.70 -3.46 3.02 -1.26 -5.00 115.26 104.01 1lkj n ASN 3 Ca 0.23 -1.47 -0.42 0.00 -0.03 0.00 0.00 54.58 52.89 1lkj n ASN 3 Cb 0.80 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 1lkj n ASN 3 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1lkj s LEU 4 N 0.00 4.39 1.00 3.41 1.43 -1.26 -4.97 118.68 122.67 1lkj s LEU 4 Ca 0.25 2.75 -0.14 0.00 -1.03 0.00 0.00 54.13 55.96 1lkj s LEU 4 Cb -0.02 -3.58 0.19 0.00 0.03 0.00 0.00 46.19 42.82 1lkj s LEU 4 CO 0.17 -0.97 1.14 0.42 0.23 0.00 0.00 176.35 177.33 1lkj s THR 5 N 2.24 1.92 0.24 5.49 -4.23 -1.26 -4.76 115.64 115.28 1lkj s THR 5 Ca 0.78 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.22 1lkj s THR 5 Cb -0.46 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 70.93 1lkj s THR 5 CO 0.35 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.98 1lkj h GLU 6 N -1.83 1.28 -0.20 3.99 5.08 -1.99 -1.52 114.58 119.40 1lkj h GLU 6 Ca -0.50 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1lkj h GLU 6 Cb 1.31 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1lkj h GLU 6 CO 0.53 0.90 0.10 0.93 -1.00 0.00 0.00 179.01 180.47 1lkj h GLU 7 N 1.30 0.28 -0.57 2.33 5.08 -1.99 0.40 114.58 121.41 1lkj h GLU 7 Ca 0.34 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1lkj h GLU 7 Cb -0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1lkj h GLU 7 CO -0.06 0.28 0.31 1.96 -1.00 0.00 0.00 179.01 180.50 1lkj h GLN 8 N 0.20 0.79 -0.12 2.33 4.20 -1.85 -2.19 115.11 118.48 1lkj h GLN 8 Ca 0.07 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1lkj h GLN 8 Cb 0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1lkj h GLN 8 CO -0.01 0.61 -0.25 0.82 -0.67 0.00 0.00 178.83 179.33 1lkj h ILE 9 N 0.76 1.23 -0.55 2.54 2.04 -1.06 -2.63 117.51 119.84 1lkj h ILE 9 Ca 0.20 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 1lkj h ILE 9 Cb 0.05 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1lkj h ILE 9 CO -0.03 0.33 0.05 0.00 0.00 0.00 0.00 178.15 178.50 1lkj h ALA 10 N 1.55 1.05 -0.08 1.87 0.00 -0.31 -0.77 119.26 122.58 1lkj h ALA 10 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1lkj h ALA 10 Cb 0.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1lkj h ALA 10 CO 0.04 0.60 -0.03 1.49 0.00 0.00 0.00 179.25 181.35 1lkj h GLU 11 N 0.85 0.16 -0.69 0.00 4.57 -1.10 -2.37 114.58 116.00 1lkj h GLU 11 Ca 0.17 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1lkj h GLU 11 Cb 0.43 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1lkj h GLU 11 CO 0.01 0.52 0.30 0.74 -1.18 0.00 0.00 179.01 179.41 1lkj h PHE 12 N -0.21 1.01 -0.84 0.92 0.04 -1.40 -2.49 116.94 113.98 1lkj h PHE 12 Ca 0.02 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 1lkj h PHE 12 Cb 0.47 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 1lkj h PHE 12 CO 0.07 0.76 0.39 -0.22 -0.60 0.00 0.00 178.31 178.70 1lkj h LYS 13 N 0.99 1.22 -0.07 1.51 3.64 -1.07 0.75 116.57 123.55 1lkj h LYS 13 Ca 0.24 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1lkj h LYS 13 Cb 0.16 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1lkj h LYS 13 CO -0.02 0.95 0.03 0.93 -2.27 0.00 0.00 179.45 179.07 1lkj h GLU 14 N 1.21 0.11 0.00 1.90 4.39 -0.99 0.85 114.58 122.05 1lkj h GLU 14 Ca 0.29 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.90 1lkj h GLU 14 Cb 0.14 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1lkj h GLU 14 CO -0.03 0.20 -0.34 0.00 -1.16 0.00 0.00 179.01 177.67 1lkj h ALA 15 N 0.91 1.16 -0.02 3.43 0.00 -1.30 -2.05 119.26 121.38 1lkj h ALA 15 Ca 0.03 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1lkj h ALA 15 Cb 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1lkj h ALA 15 CO -0.00 0.43 -0.30 0.35 0.00 0.00 0.00 179.25 179.72 1lkj h PHE 16 N 0.00 0.34 0.00 0.00 3.04 -0.45 -3.22 116.94 116.65 1lkj h PHE 16 Ca -0.00 -0.17 -0.04 0.00 3.98 0.00 0.00 57.97 61.73 1lkj h PHE 16 Cb 0.74 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 1lkj h PHE 16 CO 0.00 0.95 -0.20 0.00 -2.02 0.00 0.00 178.31 177.03 1lkj h ALA 17 N 0.32 1.14 -0.12 2.41 0.00 -0.79 -0.34 119.26 121.88 1lkj h ALA 17 Ca -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1lkj h ALA 17 Cb 1.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1lkj h ALA 17 CO 0.06 0.26 -0.09 -0.07 0.00 0.00 0.00 179.25 179.41 1lkj h LEU 18 N 0.00 0.16 0.00 0.00 3.38 -1.38 -3.11 115.31 114.36 1lkj h LEU 18 Ca -0.00 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 1lkj h LEU 18 Cb 0.59 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1lkj h LEU 18 CO 0.03 0.27 -2.06 0.49 0.09 0.00 0.00 178.44 177.26 1lkj n PHE 19 N -4.34 0.00 0.00 1.13 3.01 -1.04 -4.77 117.46 111.44 1lkj n PHE 19 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1lkj n PHE 19 Cb 0.22 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 1lkj n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1lkj n ASP 20 N -2.50 0.00 -3.87 4.37 2.03 -0.16 -4.82 116.55 111.60 1lkj n ASP 20 Ca -0.21 0.19 -0.31 0.00 0.52 0.00 0.00 54.79 54.98 1lkj n ASP 20 Cb 0.90 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.30 1lkj n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1lkj n LYS 21 N -0.21 -3.78 -0.11 -0.67 4.76 -1.20 -4.82 118.16 112.12 1lkj n LYS 21 Ca 0.00 0.45 0.09 0.00 -2.87 0.00 0.00 58.31 55.98 1lkj n LYS 21 Cb 0.00 -5.22 0.12 0.00 -1.84 0.00 0.00 35.03 28.09 1lkj n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1lkj n ASP 22 N -2.57 2.09 -2.89 4.39 9.92 -1.26 -4.97 116.55 121.26 1lkj n ASP 22 Ca 0.04 -2.92 -0.18 0.00 -0.53 0.00 0.00 54.79 51.20 1lkj n ASP 22 Cb 0.51 -0.39 -0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1lkj n ASP 22 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1lkj n ASN 23 N -1.25 -3.97 0.00 -2.24 2.85 -1.26 -4.73 115.26 104.66 1lkj n ASN 23 Ca 0.14 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1lkj n ASN 23 Cb 0.63 -3.32 0.00 0.00 1.24 0.00 0.00 39.78 38.33 1lkj n ASN 23 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1lkj n ASN 24 N -2.07 1.39 -0.01 1.20 6.94 -1.26 -5.06 115.26 116.40 1lkj n ASN 24 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1lkj n ASN 24 Cb 0.58 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lkj n GLY 25 N 2.23 1.68 3.21 4.83 0.00 -1.26 -5.09 105.19 110.78 1lkj n GLY 25 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1lkj n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lkj s SER 26 N -2.13 -0.16 0.25 1.61 1.04 -1.26 -3.59 113.70 109.45 1lkj s SER 26 Ca 0.00 0.10 0.12 0.00 0.48 0.00 0.00 55.95 56.64 1lkj s SER 26 Cb 0.00 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1lkj s SER 26 CO 0.00 -0.39 -0.21 0.27 0.98 0.00 0.00 173.24 173.89 1lkj s ILE 27 N -1.14 2.45 0.58 -1.02 -4.36 -0.61 -4.71 121.20 112.38 1lkj s ILE 27 Ca -0.12 -2.25 -0.09 0.00 -0.26 0.00 0.00 60.65 57.92 1lkj s ILE 27 Cb -0.05 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 1lkj s ILE 27 CO 0.03 -0.29 0.96 -0.44 0.24 0.00 0.00 174.94 175.45 1lkj s SER 28 N -3.18 6.23 0.29 4.36 0.01 -1.26 -0.71 113.70 119.43 1lkj s SER 28 Ca 0.26 1.28 -0.02 0.00 1.31 0.00 0.00 55.95 58.79 1lkj s SER 28 Cb -0.06 -2.40 0.45 0.00 0.21 0.00 0.00 66.02 64.21 1lkj s SER 28 CO 0.13 -0.79 1.95 0.77 0.41 0.00 0.00 173.24 175.71 1lkj h SER 29 N -0.17 0.96 -0.24 2.44 4.64 -1.98 -0.99 113.55 118.21 1lkj h SER 29 Ca -0.45 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 60.93 1lkj h SER 29 Cb 1.19 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1lkj h SER 29 CO 0.62 0.68 0.26 -1.28 -0.87 0.00 0.00 176.83 176.24 1lkj h SER 30 N 1.12 0.00 0.40 4.97 0.87 -1.96 0.81 113.55 119.77 1lkj h SER 30 Ca 0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1lkj h SER 30 Cb -0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1lkj h SER 30 CO -0.09 0.00 -1.23 -0.62 -0.53 0.00 0.00 176.83 174.36 1lkj n GLU 31 N -3.79 0.40 0.01 2.24 1.02 -0.42 -4.32 120.64 115.78 1lkj n GLU 31 Ca 0.03 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1lkj n GLU 31 Cb 0.40 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 1lkj n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1lkj h LEU 32 N 0.00 -0.06 -1.10 -4.62 5.85 -0.39 0.97 115.31 115.97 1lkj h LEU 32 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1lkj h LEU 32 Cb 0.82 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1lkj h LEU 32 CO 0.00 -0.02 0.54 0.00 -0.34 0.00 0.00 178.44 178.62 1lkj h ALA 33 N 1.08 1.33 -0.46 1.25 0.00 -1.75 -2.23 119.26 118.48 1lkj h ALA 33 Ca 0.04 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1lkj h ALA 33 Cb 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1lkj h ALA 33 CO -0.08 0.59 -0.24 1.15 0.00 0.00 0.00 179.25 180.68 1lkj h THR 34 N 1.18 1.27 -0.42 0.00 2.02 -1.62 -2.39 112.91 112.95 1lkj h THR 34 Ca 0.31 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 1lkj h THR 34 Cb -0.08 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1lkj h THR 34 CO -0.06 0.48 0.23 0.58 0.37 0.00 0.00 175.52 177.11 1lkj h VAL 35 N 0.81 1.13 -0.09 3.16 2.07 -0.32 -1.74 116.25 121.27 1lkj h VAL 35 Ca 0.10 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 1lkj h VAL 35 Cb 0.82 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1lkj h VAL 35 CO 0.07 0.14 -0.68 0.24 0.02 0.00 0.00 177.57 177.37 1lkj h MET 36 N 0.58 0.39 -0.37 1.57 2.86 -1.19 -1.92 114.93 116.85 1lkj h MET 36 Ca 0.15 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 1lkj h MET 36 Cb 0.02 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1lkj h MET 36 CO -0.02 0.93 -0.07 0.00 1.06 0.00 0.00 176.91 178.81 1lkj h ARG 37 N 0.28 0.62 0.08 1.72 3.08 -0.82 -0.58 114.38 118.76 1lkj h ARG 37 Ca -0.02 -0.17 -0.25 0.00 0.07 0.00 0.00 59.98 59.61 1lkj h ARG 37 Cb 1.24 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1lkj h ARG 37 CO 0.12 0.69 -1.17 0.77 -1.07 0.00 0.00 179.97 179.30 1lkj h SER 38 N 0.58 0.28 0.31 7.04 0.02 -1.35 -3.22 113.55 117.20 1lkj h SER 38 Ca 0.11 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1lkj h SER 38 Cb 0.47 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1lkj h SER 38 CO 0.02 1.23 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.84 1lkj h LEU 39 N 0.05 0.00 0.00 5.07 3.38 -1.13 -3.45 115.31 119.23 1lkj h LEU 39 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1lkj h LEU 39 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1lkj h LEU 39 CO 0.18 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1lkj n GLY 40 N -0.77 1.88 3.71 0.83 0.00 -1.10 -5.10 105.19 104.64 1lkj n GLY 40 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1lkj n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 41 N 0.00 2.23 -0.41 0.99 1.43 -0.24 -5.03 118.68 117.65 1lkj s LEU 41 Ca 0.00 -1.66 0.04 0.00 -1.03 0.00 0.00 54.13 51.48 1lkj s LEU 41 Cb 0.00 -0.59 0.29 0.00 0.03 0.00 0.00 46.19 45.92 1lkj s LEU 41 CO 0.00 -0.87 1.15 -1.54 0.23 0.00 0.00 176.35 175.32 1lkj n SER 42 N -1.28 -2.03 -4.75 2.29 3.41 -1.26 -4.27 113.62 105.73 1lkj n SER 42 Ca -0.16 -2.78 -0.41 0.00 -0.26 0.00 0.00 58.87 55.26 1lkj n SER 42 Cb 0.67 1.48 -0.04 0.00 -0.26 0.00 0.00 64.21 66.06 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1lkj s PRO 43 N 0.30 4.57 1.25 4.33 0.04 -1.26 -5.02 135.00 139.21 1lkj s PRO 43 Ca 0.25 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1lkj s PRO 43 Cb 0.26 -3.21 0.31 0.00 0.04 0.00 0.00 34.50 31.90 1lkj s PRO 43 CO -0.14 0.07 1.00 -1.12 0.04 0.00 0.00 177.00 176.84 1lkj s SER 44 N -0.41 0.32 0.53 6.66 0.01 -1.26 -4.66 113.70 114.89 1lkj s SER 44 Ca 0.48 1.24 0.22 0.00 1.31 0.00 0.00 55.95 59.20 1lkj s SER 44 Cb -0.32 -1.89 1.41 0.00 0.21 0.00 0.00 66.02 65.43 1lkj s SER 44 CO 0.39 -4.57 2.13 -0.08 0.41 0.00 0.00 173.24 171.53 1lkj h GLU 45 N -2.87 0.00 -0.30 12.44 4.57 -1.99 -2.25 114.58 124.17 1lkj h GLU 45 Ca -0.56 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.53 1lkj h GLU 45 Cb 1.34 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 1lkj h GLU 45 CO 0.44 0.06 -0.18 0.00 -1.18 0.00 0.00 179.01 178.15 1lkj h ALA 46 N 1.94 0.43 -0.33 2.92 0.00 -2.00 -1.62 119.26 120.59 1lkj h ALA 46 Ca -0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1lkj h ALA 46 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1lkj h ALA 46 CO 0.01 0.35 -0.25 0.93 0.00 0.00 0.00 179.25 180.29 1lkj h GLU 47 N 0.40 0.65 -0.51 0.00 5.08 -1.75 -2.66 114.58 115.79 1lkj h GLU 47 Ca 0.06 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1lkj h GLU 47 Cb 0.71 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1lkj h GLU 47 CO 0.05 0.84 -0.16 0.28 -1.00 0.00 0.00 179.01 179.03 1lkj h VAL 48 N 0.57 1.27 -0.77 3.13 2.07 -1.34 -2.74 116.25 118.45 1lkj h VAL 48 Ca 0.08 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1lkj h VAL 48 Cb 0.73 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1lkj h VAL 48 CO 0.06 0.46 0.40 -1.13 0.02 0.00 0.00 177.57 177.38 1lkj h ASN 49 N 0.87 0.97 -0.16 0.57 -0.00 -1.13 -1.06 115.58 115.64 1lkj h ASN 49 Ca 0.12 -0.11 -0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1lkj h ASN 49 Cb 0.73 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.80 1lkj h ASN 49 CO 0.06 0.81 0.09 -0.78 -0.00 0.00 0.00 177.43 177.61 1lkj h ASP 50 N 1.07 0.19 -0.50 1.15 1.82 -1.34 0.26 116.42 119.06 1lkj h ASP 50 Ca 0.27 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.84 1lkj h ASP 50 Cb 0.06 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1lkj h ASP 50 CO -0.04 0.18 0.25 -0.07 -1.61 0.00 0.00 179.24 177.95 1lkj h LEU 51 N 0.18 0.65 -1.27 2.28 4.07 -1.25 -2.13 115.31 117.85 1lkj h LEU 51 Ca 0.06 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 57.82 1lkj h LEU 51 Cb 0.03 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1lkj h LEU 51 CO -0.01 0.59 -0.36 0.24 -1.08 0.00 0.00 178.44 177.83 1lkj h MET 52 N 0.67 0.00 -0.43 1.13 2.86 -0.95 -2.45 114.93 115.76 1lkj h MET 52 Ca 0.17 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1lkj h MET 52 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1lkj h MET 52 CO -0.02 0.36 -0.11 -0.97 1.06 0.00 0.00 176.91 177.22 1lkj h ASN 53 N 0.00 0.75 0.67 1.22 -0.73 0.16 0.78 115.58 118.43 1lkj h ASN 53 Ca -0.00 -0.22 -0.18 0.00 1.87 0.00 0.00 56.30 57.76 1lkj h ASN 53 Cb 0.67 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 1lkj h ASN 53 CO 0.05 0.89 -0.81 -0.08 -0.37 0.00 0.00 177.43 177.10 1lkj h GLU 54 N 0.69 0.10 0.00 6.67 4.81 -1.14 -3.37 114.58 122.34 1lkj h GLU 54 Ca 0.12 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1lkj h GLU 54 Cb 0.59 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1lkj h GLU 54 CO 0.04 0.86 -0.28 0.82 -0.73 0.00 0.00 179.01 179.71 1lkj h ILE 55 N 0.06 0.00 -2.61 2.32 2.04 -1.17 -3.44 117.51 114.71 1lkj h ILE 55 Ca -0.02 -0.78 -0.58 0.00 1.00 0.00 0.00 64.86 64.48 1lkj h ILE 55 Cb 1.42 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1lkj h ILE 55 CO 0.12 0.00 1.29 -0.62 0.00 0.00 0.00 178.15 178.93 1lkj s ASP 56 N -5.16 5.88 0.00 1.72 2.15 0.27 -4.68 116.67 116.85 1lkj s ASP 56 Ca -0.08 1.39 -0.06 0.00 0.43 0.00 0.00 52.55 54.24 1lkj s ASP 56 Cb 0.01 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 40.09 1lkj s ASP 56 CO 0.12 -1.70 -0.11 0.52 -0.17 0.00 0.00 175.17 173.83 1lkj n VAL 57 N 7.40 1.21 -1.29 1.11 0.31 -1.26 -4.61 118.33 121.20 1lkj n VAL 57 Ca 0.23 0.31 -0.28 0.00 -0.01 0.00 0.00 64.34 64.59 1lkj n VAL 57 Cb 0.46 -1.79 0.14 0.00 -0.91 0.00 0.00 33.84 31.74 1lkj n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1lkj n ASP 58 N -3.71 5.42 -1.72 4.52 -0.08 -1.26 -4.84 116.55 114.88 1lkj n ASP 58 Ca -0.04 -3.69 -0.18 0.00 -1.51 0.00 0.00 54.79 49.36 1lkj n ASP 58 Cb 0.16 -0.89 -0.05 0.00 2.34 0.00 0.00 41.12 42.69 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 59 N -1.05 0.83 2.74 0.27 0.00 -1.26 -4.88 105.19 101.84 1lkj n GLY 59 Ca 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 1lkj n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1lkj n ASN 60 N -1.22 -2.89 -3.73 1.61 5.15 -1.26 -5.12 115.26 107.79 1lkj n ASN 60 Ca -0.20 -2.51 -0.25 0.00 -0.60 0.00 0.00 54.58 51.02 1lkj n ASN 60 Cb 0.63 1.51 -0.17 0.00 -0.53 0.00 0.00 39.78 41.22 1lkj n ASN 60 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1lkj s HIS 61 N 0.84 0.72 -0.07 1.20 2.46 -1.26 -4.87 115.29 114.31 1lkj s HIS 61 Ca 0.29 -0.43 -0.19 0.00 0.47 0.00 0.00 55.06 55.20 1lkj s HIS 61 Cb 0.06 -0.86 -0.05 0.00 -0.13 0.00 0.00 32.58 31.61 1lkj s HIS 61 CO -0.09 -0.45 0.52 -0.65 -2.47 0.00 0.00 174.74 171.60 1lkj s GLN 62 N 1.96 4.29 0.01 2.88 -1.52 -1.26 -4.31 119.66 121.70 1lkj s GLN 62 Ca 0.02 0.56 -0.28 0.00 -1.95 0.00 0.00 55.36 53.72 1lkj s GLN 62 Cb -0.15 -3.38 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 1lkj s GLN 62 CO -0.07 0.28 0.88 0.42 -0.25 0.00 0.00 175.29 176.55 1lkj s ILE 63 N 0.20 4.84 0.35 1.08 1.01 0.11 -4.86 121.20 123.92 1lkj s ILE 63 Ca 0.28 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.80 1lkj s ILE 63 Cb -0.16 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1lkj s ILE 63 CO 0.13 0.23 0.56 -1.61 0.00 0.00 0.00 174.94 174.25 1lkj s GLU 64 N 0.67 3.48 0.44 2.79 2.02 -1.26 -1.58 118.70 125.26 1lkj s GLU 64 Ca 0.46 -0.33 0.13 0.00 0.02 0.00 0.00 54.97 55.25 1lkj s GLU 64 Cb -0.21 -2.65 1.04 0.00 0.10 0.00 0.00 34.13 32.41 1lkj s GLU 64 CO 0.25 0.13 2.02 0.35 0.02 0.00 0.00 175.26 178.03 1lkj h PHE 65 N 0.73 0.38 0.29 1.61 3.57 -1.97 0.07 116.94 121.62 1lkj h PHE 65 Ca -0.50 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1lkj h PHE 65 Cb 1.22 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1lkj h PHE 65 CO 0.51 0.20 -0.14 1.03 -2.23 0.00 0.00 178.31 177.68 1lkj h SER 66 N 0.38 -0.33 -0.37 0.41 0.87 -1.93 -1.29 113.55 111.29 1lkj h SER 66 Ca 0.22 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1lkj h SER 66 Cb 0.37 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1lkj h SER 66 CO -0.05 0.02 0.13 -0.33 -0.53 0.00 0.00 176.83 176.07 1lkj h GLU 67 N -0.71 0.63 -0.32 2.24 5.08 -1.86 -2.58 114.58 117.06 1lkj h GLU 67 Ca -0.04 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1lkj h GLU 67 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1lkj h GLU 67 CO 0.07 0.56 0.06 0.35 -1.00 0.00 0.00 179.01 179.05 1lkj h PHE 68 N 0.62 0.55 -0.88 4.33 3.57 -0.91 -0.90 116.94 123.33 1lkj h PHE 68 Ca 0.15 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1lkj h PHE 68 Cb 0.20 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1lkj h PHE 68 CO 0.01 0.59 0.58 -0.07 -2.23 0.00 0.00 178.31 177.19 1lkj h LEU 69 N 0.36 0.99 0.04 0.59 3.38 -0.91 0.88 115.31 120.65 1lkj h LEU 69 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lkj h LEU 69 Cb 0.33 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1lkj h LEU 69 CO 0.00 0.71 -0.02 0.00 0.09 0.00 0.00 178.44 179.22 1lkj h ALA 70 N 1.46 -0.06 -0.13 1.53 0.00 -1.22 -2.07 119.26 118.77 1lkj h ALA 70 Ca 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1lkj h ALA 70 Cb -0.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1lkj h ALA 70 CO -0.08 -0.29 0.07 -0.07 0.00 0.00 0.00 179.25 178.87 1lkj h LEU 71 N -0.53 0.15 -0.31 0.00 3.38 -0.92 -2.04 115.31 115.05 1lkj h LEU 71 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1lkj h LEU 71 Cb 0.48 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1lkj h LEU 71 CO 0.01 0.13 -0.36 0.24 0.09 0.00 0.00 178.44 178.54 1lkj h MET 72 N 0.18 0.79 -0.98 1.13 2.86 -0.72 -0.71 114.93 117.48 1lkj h MET 72 Ca 0.05 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1lkj h MET 72 Cb 0.01 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 1lkj h MET 72 CO -0.01 1.07 0.64 1.03 1.06 0.00 0.00 176.91 180.70 1lkj h SER 73 N 0.56 1.13 1.33 1.22 0.87 -0.66 0.41 113.55 118.41 1lkj h SER 73 Ca 0.04 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1lkj h SER 73 Cb 0.95 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1lkj h SER 73 CO 0.09 0.83 -0.55 0.03 -0.53 0.00 0.00 176.83 176.70 1lkj h ARG 74 N 1.33 0.00 0.00 2.24 3.08 -1.40 -3.22 114.38 116.41 1lkj h ARG 74 Ca 0.36 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.34 1lkj h ARG 74 Cb -0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1lkj h ARG 74 CO -0.08 0.55 -0.72 1.96 -1.07 0.00 0.00 179.97 180.61 1lkj h GLN 75 N 0.00 0.00 -0.12 0.04 1.08 -0.33 -3.30 115.11 112.47 1lkj h GLN 75 Ca -0.01 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1lkj h GLN 75 Cb 1.36 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.78 1lkj h GLN 75 CO 0.07 0.18 0.10 -0.07 -0.95 0.00 0.00 178.83 178.17 1lkj h LEU 76 N 0.00 0.00 -4.66 1.46 3.38 -0.21 -2.16 115.31 113.12 1lkj h LEU 76 Ca -0.04 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.20 1lkj h LEU 76 Cb 1.22 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.68 1lkj h LEU 76 CO 0.03 0.00 0.88 0.29 0.09 0.00 0.00 178.44 179.72 1lkj n LYS 77 N -4.23 2.79 -0.70 1.13 4.01 -1.24 -5.00 118.16 114.92 1lkj n LYS 77 Ca -0.00 -3.52 -0.21 0.00 -0.51 0.00 0.00 58.31 54.07 1lkj n LYS 77 Cb 0.22 -2.27 0.18 0.00 -0.51 0.00 0.00 35.03 32.64 1lkj n LYS 77 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1lkj n SER 78 N -0.65 -1.88 -1.35 4.39 3.41 -0.81 -5.07 113.62 111.65 1lkj n SER 78 Ca 0.56 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1lkj n SER 78 Cb 0.39 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1lkj n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1lkj n ASN 79 N -4.36 0.44 -3.90 4.04 4.13 -1.26 -5.13 115.26 109.22 1lkj n ASN 79 Ca 0.11 -0.68 -0.23 0.00 1.68 0.00 0.00 54.58 55.46 1lkj n ASN 79 Cb 0.41 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.49 1lkj n ASN 79 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1lkj s ASP 80 N -0.86 1.56 0.13 6.41 1.01 -1.26 -5.02 116.67 118.64 1lkj s ASP 80 Ca 0.00 -0.20 -0.03 0.00 0.71 0.00 0.00 52.55 53.03 1lkj s ASP 80 Cb 0.00 -0.63 -0.09 0.00 1.01 0.00 0.00 42.92 43.21 1lkj s ASP 80 CO 0.00 -0.08 1.30 0.28 0.21 0.00 0.00 175.17 176.89 1lkj h SER 81 N 7.60 0.46 -0.74 0.27 0.02 -2.00 -3.21 113.55 115.95 1lkj h SER 81 Ca -0.31 -0.38 0.11 0.00 -0.84 0.00 0.00 61.79 60.37 1lkj h SER 81 Cb 1.15 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.50 1lkj h SER 81 CO 0.42 1.19 0.49 1.05 -1.14 0.00 0.00 176.83 178.83 1lkj h GLU 82 N 0.19 0.56 -0.58 3.45 4.11 -1.99 -1.28 114.58 119.04 1lkj h GLU 82 Ca -0.08 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 1lkj h GLU 82 Cb 1.60 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 1lkj h GLU 82 CO 0.16 0.37 0.26 1.96 0.07 0.00 0.00 179.01 181.84 1lkj h GLN 83 N 0.58 0.84 -0.59 1.06 4.20 -1.99 -2.11 115.11 117.10 1lkj h GLN 83 Ca 0.35 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1lkj h GLN 83 Cb 0.57 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1lkj h GLN 83 CO -0.12 0.70 0.36 0.93 -0.67 0.00 0.00 178.83 180.02 1lkj h GLU 84 N 0.79 0.79 -0.41 1.46 5.08 -1.35 -1.12 114.58 119.82 1lkj h GLU 84 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1lkj h GLU 84 Cb 0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1lkj h GLU 84 CO -0.02 0.57 0.25 -0.07 -1.00 0.00 0.00 179.01 178.74 1lkj h LEU 85 N 0.79 0.48 -1.59 1.33 3.38 -1.21 -1.33 115.31 117.15 1lkj h LEU 85 Ca 0.21 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1lkj h LEU 85 Cb -0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1lkj h LEU 85 CO -0.04 0.37 -0.20 -0.07 0.09 0.00 0.00 178.44 178.59 1lkj h LEU 86 N 0.54 0.00 -0.12 1.67 3.38 -1.07 -2.12 115.31 117.60 1lkj h LEU 86 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1lkj h LEU 86 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1lkj h LEU 86 CO -0.03 0.20 -0.19 -0.08 0.09 0.00 0.00 178.44 178.43 1lkj h GLU 87 N 0.00 0.34 -0.46 1.13 4.57 -0.39 -2.16 114.58 117.61 1lkj h GLU 87 Ca -0.00 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 1lkj h GLU 87 Cb 0.36 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1lkj h GLU 87 CO 0.03 0.79 0.24 0.00 -1.18 0.00 0.00 179.01 178.89 1lkj h ALA 88 N 0.54 0.59 -0.09 2.92 0.00 -1.02 -2.14 119.26 120.06 1lkj h ALA 88 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1lkj h ALA 88 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1lkj h ALA 88 CO 0.04 0.13 -0.12 0.74 0.00 0.00 0.00 179.25 180.05 1lkj h PHE 89 N 0.60 0.13 -0.44 0.00 0.04 -1.41 -2.55 116.94 113.31 1lkj h PHE 89 Ca 0.16 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.84 1lkj h PHE 89 Cb 0.08 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1lkj h PHE 89 CO -0.02 0.25 -0.03 -0.22 -0.60 0.00 0.00 178.31 177.70 1lkj h LYS 90 N 0.13 0.79 -0.18 1.51 3.64 -0.74 -1.23 116.57 120.48 1lkj h LYS 90 Ca 0.03 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1lkj h LYS 90 Cb 0.29 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1lkj h LYS 90 CO 0.02 0.87 0.08 0.28 -2.27 0.00 0.00 179.45 178.44 1lkj h VAL 91 N 0.63 1.14 0.00 2.00 2.07 -1.06 -2.32 116.25 118.70 1lkj h VAL 91 Ca 0.12 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1lkj h VAL 91 Cb 0.54 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1lkj h VAL 91 CO 0.03 0.13 -0.20 -0.26 0.02 0.00 0.00 177.57 177.29 1lkj h PHE 92 N 0.16 0.00 -0.02 1.57 -1.00 -1.44 -2.26 116.94 113.96 1lkj h PHE 92 Ca 0.06 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 1lkj h PHE 92 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1lkj h PHE 92 CO -0.02 0.20 -0.37 0.22 -1.61 0.00 0.00 178.31 176.72 1lkj h ASP 93 N 0.00 0.03 0.00 2.17 3.58 -0.67 -3.46 116.42 118.07 1lkj h ASP 93 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1lkj h ASP 93 Cb 0.42 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1lkj h ASP 93 CO 0.03 0.40 0.00 1.17 -2.88 0.00 0.00 179.24 177.96 1lkj n LYS 94 N -4.09 0.00 0.00 0.28 3.00 -0.85 -4.28 118.16 112.22 1lkj n LYS 94 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1lkj n LYS 94 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.44 1lkj n LYS 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1lkj n ASN 95 N 1.19 0.00 0.00 3.14 4.13 -1.26 -4.95 115.26 117.51 1lkj n ASN 95 Ca 0.00 0.99 0.00 0.00 1.68 0.00 0.00 54.58 57.25 1lkj n ASN 95 Cb 0.00 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.75 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1lkj n GLY 96 N -1.00 0.90 0.46 7.41 0.00 -1.26 -5.02 105.19 106.68 1lkj n GLY 96 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1lkj n GLY 96 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1lkj h ASP 97 N 0.80 -0.97 0.00 1.61 3.32 -1.92 -3.48 116.42 115.78 1lkj h ASP 97 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1lkj h ASP 97 Cb 0.00 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1lkj h ASP 97 CO 0.00 -0.65 0.00 0.61 -1.72 0.00 0.00 179.24 177.48 1lkj n GLY 98 N -1.39 0.70 3.01 2.75 0.00 -1.26 -4.93 105.19 104.06 1lkj n GLY 98 Ca -0.15 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1lkj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 99 N 0.00 3.88 0.21 0.99 1.43 -1.26 -2.00 118.68 121.92 1lkj s LEU 99 Ca 0.00 -1.74 0.08 0.00 -1.03 0.00 0.00 54.13 51.44 1lkj s LEU 99 Cb 0.00 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1lkj s LEU 99 CO 0.00 -0.30 -0.15 0.27 0.23 0.00 0.00 176.35 176.40 1lkj s ILE 100 N 1.08 1.78 0.63 -0.59 -4.36 -0.42 -4.88 121.20 114.44 1lkj s ILE 100 Ca 0.02 -2.21 -0.11 0.00 -0.26 0.00 0.00 60.65 58.09 1lkj s ILE 100 Cb -0.19 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 1lkj s ILE 100 CO -0.08 -0.57 1.04 -0.55 0.24 0.00 0.00 174.94 175.01 1lkj s SER 101 N -3.30 6.16 0.55 4.36 0.15 -1.26 -0.13 113.70 120.23 1lkj s SER 101 Ca 0.23 1.41 0.29 0.00 0.70 0.00 0.00 55.95 58.57 1lkj s SER 101 Cb -0.01 -2.43 1.46 0.00 -1.71 0.00 0.00 66.02 63.32 1lkj s SER 101 CO 0.07 -0.91 1.94 0.00 1.20 0.00 0.00 173.24 175.53 1lkj h ALA 102 N -0.35 2.48 0.23 5.45 0.00 -1.94 -1.44 119.26 123.68 1lkj h ALA 102 Ca -0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1lkj h ALA 102 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1lkj h ALA 102 CO 0.62 -0.80 -0.11 0.00 0.00 0.00 0.00 179.25 178.96 1lkj h ALA 103 N 1.59 -0.31 -0.26 0.00 0.00 -1.97 -1.25 119.26 117.07 1lkj h ALA 103 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1lkj h ALA 103 Cb 1.26 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1lkj h ALA 103 CO -0.00 -0.54 0.01 0.93 0.00 0.00 0.00 179.25 179.65 1lkj h GLU 104 N -0.57 0.38 -0.52 0.00 5.08 -1.66 -2.07 114.58 115.22 1lkj h GLU 104 Ca -0.03 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1lkj h GLU 104 Cb 0.42 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1lkj h GLU 104 CO 0.05 0.40 -0.14 1.25 -1.00 0.00 0.00 179.01 179.58 1lkj h LEU 105 N 0.38 1.02 -0.68 1.33 5.85 -1.20 -2.32 115.31 119.69 1lkj h LEU 105 Ca 0.09 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 1lkj h LEU 105 Cb 0.23 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1lkj h LEU 105 CO 0.00 1.15 -0.27 0.50 -0.34 0.00 0.00 178.44 179.48 1lkj h LYS 106 N 0.88 0.73 -0.08 1.25 3.64 -0.75 -2.31 116.57 119.92 1lkj h LYS 106 Ca 0.13 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.11 1lkj h LYS 106 Cb 0.71 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1lkj h LYS 106 CO 0.05 0.92 -0.34 1.25 -2.27 0.00 0.00 179.45 179.07 1lkj h HIS 107 N 0.63 0.17 -0.06 1.91 2.76 -1.25 -2.69 115.15 116.62 1lkj h HIS 107 Ca 0.08 -0.04 -0.24 0.00 -2.20 0.00 0.00 60.37 57.97 1lkj h HIS 107 Cb 0.78 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 29.71 1lkj h HIS 107 CO 0.04 0.48 -0.93 0.28 -1.30 0.00 0.00 177.93 176.50 1lkj h VAL 108 N 0.14 1.30 -0.77 5.26 2.07 -1.18 -2.53 116.25 120.53 1lkj h VAL 108 Ca 0.02 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.33 1lkj h VAL 108 Cb 0.67 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1lkj h VAL 108 CO 0.05 0.67 0.35 -0.07 0.02 0.00 0.00 177.57 178.59 1lkj h LEU 109 N 0.42 1.03 -0.70 2.57 4.07 -1.26 -1.75 115.31 119.67 1lkj h LEU 109 Ca -0.09 -0.15 -0.14 0.00 0.08 0.00 0.00 57.88 57.58 1lkj h LEU 109 Cb 1.56 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 1lkj h LEU 109 CO 0.18 0.89 -0.58 0.74 -1.08 0.00 0.00 178.44 178.59 1lkj h THR 110 N 1.09 1.38 -0.30 0.22 2.02 -1.51 -3.00 112.91 112.82 1lkj h THR 110 Ca 0.26 -1.94 -0.08 0.00 0.77 0.00 0.00 66.41 65.42 1lkj h THR 110 Cb 0.15 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1lkj h THR 110 CO -0.03 0.57 -0.13 0.28 0.37 0.00 0.00 175.52 176.59 1lkj h SER 111 N 0.16 0.63 0.10 4.18 0.02 -1.03 -2.84 113.55 114.76 1lkj h SER 111 Ca -0.00 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1lkj h SER 111 Cb 1.07 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 1lkj h SER 111 CO 0.09 0.88 -0.09 0.40 -1.14 0.00 0.00 176.83 176.97 1lkj h ILE 112 N 0.36 1.00 0.00 3.27 2.04 -1.31 -3.46 117.51 119.41 1lkj h ILE 112 Ca 0.07 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1lkj h ILE 112 Cb 0.64 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1lkj h ILE 112 CO 0.04 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.89 1lkj n GLY 113 N -1.24 1.03 3.79 5.37 0.00 -1.07 -5.05 105.19 108.01 1lkj n GLY 113 Ca -0.03 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 1lkj n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 114 N -2.08 3.66 -1.20 1.61 0.41 -1.18 -4.95 118.70 114.97 1lkj s GLU 114 Ca 0.00 1.43 -0.05 0.00 -0.41 0.00 0.00 54.97 55.94 1lkj s GLU 114 Cb 0.00 -2.07 0.21 0.00 -1.78 0.00 0.00 34.13 30.50 1lkj s GLU 114 CO 0.00 -0.56 1.96 1.63 -0.49 0.00 0.00 175.26 177.80 1lkj n LYS 115 N -1.08 4.52 -3.79 1.61 4.76 -1.26 -4.90 118.16 118.01 1lkj n LYS 115 Ca 0.10 -3.95 -0.36 0.00 -2.87 0.00 0.00 58.31 51.22 1lkj n LYS 115 Cb 0.52 -2.65 -0.12 0.00 -1.84 0.00 0.00 35.03 30.94 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1lkj s LEU 116 N -2.24 4.77 1.09 -0.35 1.43 -1.26 -5.09 118.68 117.04 1lkj s LEU 116 Ca 0.43 -1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 51.74 1lkj s LEU 116 Cb 0.14 -1.82 0.23 0.00 0.03 0.00 0.00 46.19 44.76 1lkj s LEU 116 CO -0.04 -0.44 0.93 0.35 0.23 0.00 0.00 176.35 177.38 1lkj n THR 117 N 4.67 0.00 0.24 5.49 -2.24 -1.26 -4.73 114.28 116.45 1lkj n THR 117 Ca -0.07 -0.30 0.07 0.00 -2.27 0.00 0.00 64.05 61.47 1lkj n THR 117 Cb 0.42 -0.94 0.59 0.00 -2.10 0.00 0.00 70.33 68.30 1lkj n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1lkj h ASP 118 N -2.38 0.00 -0.66 3.42 1.82 -1.99 -2.24 116.42 114.38 1lkj h ASP 118 Ca -0.55 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.03 1lkj h ASP 118 Cb 1.32 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.30 1lkj h ASP 118 CO 0.45 0.09 0.18 0.00 -1.61 0.00 0.00 179.24 178.35 1lkj h ALA 119 N 1.91 0.87 0.14 -0.78 0.00 -1.99 -0.02 119.26 119.39 1lkj h ALA 119 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1lkj h ALA 119 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1lkj h ALA 119 CO 0.01 0.58 -0.07 0.93 0.00 0.00 0.00 179.25 180.70 1lkj h GLU 120 N 0.98 -0.19 0.00 0.00 4.39 -1.73 -2.13 114.58 115.89 1lkj h GLU 120 Ca 0.21 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1lkj h GLU 120 Cb 0.34 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1lkj h GLU 120 CO -0.00 0.09 -0.11 0.28 -1.16 0.00 0.00 179.01 178.11 1lkj h VAL 121 N -0.46 0.92 -0.28 3.13 2.07 -1.46 -2.26 116.25 117.90 1lkj h VAL 121 Ca -0.02 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1lkj h VAL 121 Cb 0.37 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1lkj h VAL 121 CO 0.03 0.11 -0.12 -0.78 0.02 0.00 0.00 177.57 176.83 1lkj h ASP 122 N 0.00 0.59 0.43 0.57 3.58 -0.72 0.08 116.42 120.95 1lkj h ASP 122 Ca -0.00 -0.40 -0.08 0.00 0.42 0.00 0.00 57.03 56.97 1lkj h ASP 122 Cb 0.22 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1lkj h ASP 122 CO 0.01 0.86 -0.36 0.44 -2.88 0.00 0.00 179.24 177.32 1lkj h ASP 123 N 0.32 0.00 0.58 2.28 3.32 -0.93 -2.25 116.42 119.75 1lkj h ASP 123 Ca 0.06 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.85 1lkj h ASP 123 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1lkj h ASP 123 CO 0.04 0.36 -1.19 -0.03 -1.72 0.00 0.00 179.24 176.70 1lkj h MET 124 N 0.00 0.29 0.00 3.56 4.05 -1.22 -3.24 114.93 118.38 1lkj h MET 124 Ca -0.00 -0.46 -0.08 0.00 -0.28 0.00 0.00 59.70 58.88 1lkj h MET 124 Cb 0.67 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 1lkj h MET 124 CO 0.05 1.20 -0.36 -0.07 0.23 0.00 0.00 176.91 177.96 1lkj h LEU 125 N 0.10 0.00 -0.54 3.39 3.38 -0.76 -2.17 115.31 118.72 1lkj h LEU 125 Ca -0.13 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1lkj h LEU 125 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1lkj h LEU 125 CO 0.20 0.36 -0.38 0.03 0.09 0.00 0.00 178.44 178.73 1lkj h ARG 126 N 0.00 0.76 0.00 1.13 3.08 -1.43 0.96 114.38 118.88 1lkj h ARG 126 Ca -0.00 -0.39 -0.21 0.00 0.07 0.00 0.00 59.98 59.45 1lkj h ARG 126 Cb 0.85 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1lkj h ARG 126 CO 0.05 1.01 -0.99 0.93 -1.07 0.00 0.00 179.97 179.90 1lkj h GLU 127 N 0.63 0.00 0.00 0.04 5.08 -1.56 -3.40 114.58 115.37 1lkj h GLU 127 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1lkj h GLU 127 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1lkj h GLU 127 CO 0.09 0.98 -0.74 0.28 -1.00 0.00 0.00 179.01 178.62 1lkj n VAL 128 N -3.34 1.30 0.00 3.13 0.31 -0.83 -5.00 118.33 113.90 1lkj n VAL 128 Ca -0.00 0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1lkj n VAL 128 Cb 0.94 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1lkj n VAL 128 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1lkj n SER 129 N -4.27 0.00 -3.97 4.52 2.88 0.33 -4.41 113.62 108.70 1lkj n SER 129 Ca -0.10 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.13 1lkj n SER 129 Cb 0.38 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.86 1lkj n SER 129 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1lkj n ASP 130 N 0.00 -4.35 0.00 -3.46 9.92 -1.25 -4.69 116.55 112.71 1lkj n ASP 130 Ca 0.00 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.43 1lkj n ASP 130 Cb 0.00 -3.67 0.00 0.00 -0.64 0.00 0.00 41.12 36.81 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1lkj n GLY 131 N -1.64 -0.29 0.32 0.44 0.00 -1.26 -5.01 105.19 97.75 1lkj n GLY 131 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1lkj n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lkj n SER 132 N -2.36 1.75 0.00 1.61 7.64 -1.26 -5.08 113.62 115.93 1lkj n SER 132 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1lkj n SER 132 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lkj n GLY 133 N 2.57 3.56 3.76 0.23 0.00 -1.26 -5.09 105.19 108.95 1lkj n GLY 133 Ca 0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1lkj n GLY 133 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 134 N 0.00 4.40 0.01 1.61 2.02 -1.26 -4.45 118.70 121.02 1lkj s GLU 134 Ca 0.00 0.89 -0.01 0.00 0.02 0.00 0.00 54.97 55.87 1lkj s GLU 134 Cb 0.00 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1lkj s GLU 134 CO 0.00 0.35 0.12 0.42 0.02 0.00 0.00 175.26 176.18 1lkj s ILE 135 N -0.21 4.97 -0.02 -1.63 1.01 0.81 -4.89 121.20 121.25 1lkj s ILE 135 Ca 0.34 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 1lkj s ILE 135 Cb -0.19 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 1lkj s ILE 135 CO 0.20 0.29 0.44 0.20 0.00 0.00 0.00 174.94 176.07 1lkj s ASN 136 N -1.95 6.81 0.44 3.58 -0.87 -1.26 -1.30 114.94 120.39 1lkj s ASN 136 Ca 0.26 0.96 0.24 0.00 -1.57 0.00 0.00 52.86 52.76 1lkj s ASN 136 Cb -0.12 -2.27 0.60 0.00 -0.02 0.00 0.00 41.25 39.44 1lkj s ASN 136 CO 0.18 0.25 1.70 0.16 -2.57 0.00 0.00 177.10 176.81 1lkj h ILE 137 N 3.90 0.19 0.23 0.60 3.07 -1.76 -3.02 117.51 120.72 1lkj h ILE 137 Ca -0.49 -1.09 -0.01 0.00 1.55 0.00 0.00 64.86 64.82 1lkj h ILE 137 Cb 1.21 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 1lkj h ILE 137 CO 0.65 0.10 -0.11 -0.61 -1.05 0.00 0.00 178.15 177.13 1lkj h GLN 138 N 0.00 -0.29 -0.76 0.16 4.15 -1.92 0.84 115.11 117.29 1lkj h GLN 138 Ca -0.00 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1lkj h GLN 138 Cb 0.92 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 1lkj h GLN 138 CO 0.01 0.07 0.28 1.96 -1.93 0.00 0.00 178.83 179.22 1lkj h GLN 139 N -0.73 1.14 -0.32 1.69 1.08 -1.97 -1.85 115.11 114.16 1lkj h GLN 139 Ca -0.03 -0.22 -0.06 0.00 -1.45 0.00 0.00 58.65 56.89 1lkj h GLN 139 Cb 0.49 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1lkj h GLN 139 CO 0.05 0.94 -0.04 0.35 -0.95 0.00 0.00 178.83 179.18 1lkj h PHE 140 N 1.10 0.66 -0.02 2.96 3.57 -1.55 -2.32 116.94 121.34 1lkj h PHE 140 Ca 0.25 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1lkj h PHE 140 Cb 0.24 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1lkj h PHE 140 CO 0.02 0.75 -0.09 0.00 -2.23 0.00 0.00 178.31 176.76 1lkj h ALA 141 N 0.82 1.82 -0.04 2.41 0.00 -0.63 -1.91 119.26 121.73 1lkj h ALA 141 Ca 0.08 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1lkj h ALA 141 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1lkj h ALA 141 CO 0.03 0.14 -0.78 0.00 0.00 0.00 0.00 179.25 178.63 1lkj h ALA 142 N 1.89 0.60 -0.17 0.00 0.00 -1.04 -2.61 119.26 117.92 1lkj h ALA 142 Ca 0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 1lkj h ALA 142 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1lkj h ALA 142 CO 0.01 0.81 -0.40 -0.07 0.00 0.00 0.00 179.25 179.60 1lkj h LEU 143 N 0.19 0.42 -0.00 0.00 3.38 -0.81 -3.23 115.31 115.25 1lkj h LEU 143 Ca -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1lkj h LEU 143 Cb 1.36 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1lkj h LEU 143 CO 0.13 0.78 -0.02 -0.07 0.09 0.00 0.00 178.44 179.34 1lkj h LEU 144 N 0.33 0.02-10.27 1.67 3.38 -1.43 -3.45 115.31 105.57 1lkj h LEU 144 Ca 0.03 -0.68 -0.50 0.00 0.09 0.00 0.00 57.88 56.82 1lkj h LEU 144 Cb 0.85 -0.01 0.18 0.00 0.09 0.00 0.00 40.66 41.78 1lkj h LEU 144 CO 0.07 0.70 0.21 -0.55 0.09 0.00 0.00 178.44 178.96 1lkj s SER 145 N -5.93 2.95 0.00 -0.43 0.15 -0.99 -5.13 113.70 104.33 1lkj s SER 145 Ca -0.17 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1lkj s SER 145 Cb 0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1lkj s SER 145 CO 0.69 -3.04 0.00 2.29 1.20 0.00 0.00 173.24 174.38