#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lkj s SER 2 N 0.00 2.09 0.19 4.04 0.15 -1.26 -5.06 113.70 113.85 1lkj s SER 2 Ca 0.00 1.46 0.01 0.00 0.70 0.00 0.00 55.95 58.13 1lkj s SER 2 Cb 0.00 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 1lkj s SER 2 CO 0.00 -3.50 0.12 -0.46 1.20 0.00 0.00 173.24 170.59 1lkj n ASN 3 N -4.45 1.81 -4.78 5.45 0.23 -1.26 -5.07 115.26 107.19 1lkj n ASN 3 Ca 0.05 -1.70 -0.41 0.00 -0.53 0.00 0.00 54.58 51.99 1lkj n ASN 3 Cb 0.55 0.02 -0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1lkj n ASN 3 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1lkj s LEU 4 N 0.00 4.31 0.00 -4.53 1.43 -1.26 -5.00 118.68 113.63 1lkj s LEU 4 Ca 0.09 3.07 -0.10 0.00 -1.03 0.00 0.00 54.13 56.15 1lkj s LEU 4 Cb -0.01 -3.67 0.20 0.00 0.03 0.00 0.00 46.19 42.74 1lkj s LEU 4 CO 0.06 -0.89 1.22 0.35 0.23 0.00 0.00 176.35 177.32 1lkj n THR 5 N 0.48 0.00 -0.01 5.49 -2.24 -1.26 -4.83 114.28 111.91 1lkj n THR 5 Ca 0.01 -1.24 -0.05 0.00 -2.27 0.00 0.00 64.05 60.50 1lkj n THR 5 Cb 0.39 -1.26 0.15 0.00 -2.10 0.00 0.00 70.33 67.51 1lkj n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1lkj h GLU 6 N 0.00 0.55 -0.44 -0.78 3.07 -1.99 -1.56 114.58 113.43 1lkj h GLU 6 Ca -0.40 -0.23 -0.15 0.00 -0.50 0.00 0.00 59.36 58.08 1lkj h GLU 6 Cb 1.22 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 1lkj h GLU 6 CO 0.33 0.79 -0.29 0.93 -1.40 0.00 0.00 179.01 179.37 1lkj h GLU 7 N 0.48 0.98 -0.27 2.33 5.08 -1.99 -1.29 114.58 119.90 1lkj h GLU 7 Ca 0.06 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 1lkj h GLU 7 Cb 0.75 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1lkj h GLU 7 CO 0.06 1.13 -0.23 1.96 -1.00 0.00 0.00 179.01 180.93 1lkj h GLN 8 N 0.82 0.63 -0.15 2.33 1.08 -1.89 -2.37 115.11 115.56 1lkj h GLN 8 Ca 0.09 -0.32 -0.07 0.00 -1.45 0.00 0.00 58.65 56.90 1lkj h GLN 8 Cb 0.88 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1lkj h GLN 8 CO 0.08 0.91 -0.24 0.82 -0.95 0.00 0.00 178.83 179.45 1lkj h ILE 9 N 0.36 1.24 -0.11 2.54 2.04 -1.26 -2.58 117.51 119.73 1lkj h ILE 9 Ca 0.05 -1.10 -0.14 0.00 1.00 0.00 0.00 64.86 64.67 1lkj h ILE 9 Cb 0.78 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1lkj h ILE 9 CO 0.06 0.34 -0.53 0.00 0.00 0.00 0.00 178.15 178.02 1lkj h ALA 10 N 1.52 0.89 -0.07 1.87 0.00 -1.11 -2.48 119.26 119.88 1lkj h ALA 10 Ca 0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1lkj h ALA 10 Cb 0.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1lkj h ALA 10 CO 0.04 0.68 -0.04 1.49 0.00 0.00 0.00 179.25 181.42 1lkj h GLU 11 N 0.25 0.15 -0.79 0.00 4.81 -1.05 -2.55 114.58 115.39 1lkj h GLU 11 Ca 0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1lkj h GLU 11 Cb 1.01 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 1lkj h GLU 11 CO 0.09 0.53 0.45 0.74 -0.73 0.00 0.00 179.01 180.08 1lkj h PHE 12 N -0.24 1.07 -0.74 0.92 0.04 -1.49 -2.41 116.94 114.09 1lkj h PHE 12 Ca 0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1lkj h PHE 12 Cb 0.49 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1lkj h PHE 12 CO 0.07 0.73 0.40 -0.22 -0.60 0.00 0.00 178.31 178.69 1lkj h LYS 13 N 1.10 1.05 -0.07 1.51 3.64 -1.38 0.15 116.57 122.57 1lkj h LYS 13 Ca 0.28 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1lkj h LYS 13 Cb 0.01 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1lkj h LYS 13 CO -0.05 0.79 0.04 0.93 -2.27 0.00 0.00 179.45 178.89 1lkj h GLU 14 N 1.03 0.10 0.00 1.90 4.39 -1.00 0.20 114.58 121.19 1lkj h GLU 14 Ca 0.26 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.87 1lkj h GLU 14 Cb 0.06 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1lkj h GLU 14 CO -0.04 0.11 -0.38 0.00 -1.16 0.00 0.00 179.01 177.54 1lkj h ALA 15 N 0.98 1.09 0.01 3.43 0.00 -1.29 -2.33 119.26 121.16 1lkj h ALA 15 Ca 0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1lkj h ALA 15 Cb 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1lkj h ALA 15 CO -0.00 0.48 -0.87 0.35 0.00 0.00 0.00 179.25 179.20 1lkj h PHE 16 N 0.00 0.85 0.00 0.00 3.04 -0.24 -3.23 116.94 117.36 1lkj h PHE 16 Ca -0.00 -0.47 -0.09 0.00 3.98 0.00 0.00 57.97 61.39 1lkj h PHE 16 Cb 0.82 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1lkj h PHE 16 CO 0.00 1.31 -0.41 0.00 -2.02 0.00 0.00 178.31 177.19 1lkj h ALA 17 N 0.35 1.14 -0.13 2.41 0.00 -0.56 -2.83 119.26 119.63 1lkj h ALA 17 Ca -0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1lkj h ALA 17 Cb 1.56 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1lkj h ALA 17 CO 0.17 0.51 -0.04 -0.07 0.00 0.00 0.00 179.25 179.82 1lkj h LEU 18 N 0.00 0.17 -3.58 0.00 3.38 -1.44 -2.18 115.31 111.66 1lkj h LEU 18 Ca -0.00 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 1lkj h LEU 18 Cb 0.82 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.36 1lkj h LEU 18 CO 0.05 0.25 0.19 0.49 0.09 0.00 0.00 178.44 179.51 1lkj n PHE 19 N -4.38 1.84 -3.41 1.13 3.01 -1.08 -4.73 117.46 109.84 1lkj n PHE 19 Ca -0.01 -1.57 -0.26 0.00 1.01 0.00 0.00 57.45 56.62 1lkj n PHE 19 Cb 0.19 -0.64 -0.08 0.00 -0.01 0.00 0.00 39.48 38.93 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 -0.97 2.40 -3.80 4.37 2.03 -0.82 -4.74 116.55 115.01 1lkj n ASP 20 Ca 0.41 -3.14 -0.40 0.00 0.52 0.00 0.00 54.79 52.19 1lkj n ASP 20 Cb 1.26 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 1.26 4.41 0.00 -0.67 4.76 -1.26 -4.70 118.16 121.96 1lkj n LYS 21 Ca 0.26 -4.61 0.00 0.00 -2.87 0.00 0.00 58.31 51.09 1lkj n LYS 21 Cb 0.44 -2.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 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 0.88 0.00 0.19 4.39 9.92 -1.26 -5.11 116.55 125.56 1lkj n ASP 22 Ca 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1lkj n ASP 22 Cb 0.33 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.81 1lkj n ASP 22 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1lkj n ASN 23 N -1.72 -3.34 -2.59 -2.24 4.13 -1.26 -5.15 115.26 103.09 1lkj n ASN 23 Ca 0.00 0.84 -0.06 0.00 1.68 0.00 0.00 54.58 57.03 1lkj n ASN 23 Cb 0.00 3.21 0.04 0.00 -1.54 0.00 0.00 39.78 41.49 1lkj n ASN 23 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1lkj n ASN 24 N -3.37 0.24 -4.30 6.41 3.02 -1.26 -5.01 115.26 110.99 1lkj n ASN 24 Ca 0.00 -1.24 -0.44 0.00 -0.03 0.00 0.00 54.58 52.87 1lkj n ASN 24 Cb 0.00 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1lkj n ASN 24 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1lkj s GLY 25 N -3.28 3.07 -0.12 7.41 0.00 -1.26 -4.94 107.32 108.20 1lkj s GLY 25 Ca 0.18 -3.71 -0.20 0.00 0.00 0.00 0.00 44.72 40.98 1lkj s GLY 25 CO 0.12 1.29 0.51 -0.56 0.00 0.00 0.00 173.10 174.46 1lkj s SER 26 N 1.32 -0.49 0.21 1.64 0.01 -1.26 -3.68 113.70 111.46 1lkj s SER 26 Ca 0.27 0.74 0.08 0.00 1.31 0.00 0.00 55.95 58.35 1lkj s SER 26 Cb -0.10 0.76 -0.05 0.00 0.21 0.00 0.00 66.02 66.84 1lkj s SER 26 CO -0.09 -0.35 -0.15 0.27 0.41 0.00 0.00 173.24 173.34 1lkj s ILE 27 N -0.46 1.82 0.53 1.44 -4.36 -0.53 -4.77 121.20 114.87 1lkj s ILE 27 Ca -0.06 -2.23 -0.07 0.00 -0.26 0.00 0.00 60.65 58.03 1lkj s ILE 27 Cb -0.03 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1lkj s ILE 27 CO 0.04 -0.57 0.87 -0.44 0.24 0.00 0.00 174.94 175.08 1lkj s SER 28 N -3.33 6.24 0.30 4.36 0.01 -1.26 0.48 113.70 120.49 1lkj s SER 28 Ca 0.23 1.10 -0.02 0.00 1.31 0.00 0.00 55.95 58.57 1lkj s SER 28 Cb -0.01 -2.32 0.44 0.00 0.21 0.00 0.00 66.02 64.34 1lkj s SER 28 CO 0.08 -0.69 1.96 0.77 0.41 0.00 0.00 173.24 175.76 1lkj h SER 29 N 0.03 0.93 -0.24 2.44 4.64 -1.66 -1.36 113.55 118.32 1lkj h SER 29 Ca -0.46 -0.04 0.07 0.00 -0.47 0.00 0.00 61.79 60.89 1lkj h SER 29 Cb 1.20 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1lkj h SER 29 CO 0.62 0.69 0.20 -1.28 -0.87 0.00 0.00 176.83 176.19 1lkj h SER 30 N 1.08 0.00 0.89 4.97 0.87 -1.93 0.07 113.55 119.51 1lkj h SER 30 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1lkj h SER 30 Cb -0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1lkj h SER 30 CO -0.06 0.00 -1.03 -0.62 -0.53 0.00 0.00 176.83 174.60 1lkj n GLU 31 N -4.16 0.56 -0.03 2.24 1.02 -0.56 -4.23 120.64 115.48 1lkj n GLU 31 Ca 0.03 0.09 -0.08 0.00 -0.02 0.00 0.00 57.16 57.18 1lkj n GLU 31 Cb 0.35 -1.78 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.38 -0.87 -4.62 5.85 -0.48 0.24 115.31 115.05 1lkj h LEU 32 Ca 0.00 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1lkj h LEU 32 Cb 0.96 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1lkj h LEU 32 CO 0.00 -0.16 0.57 0.00 -0.34 0.00 0.00 178.44 178.51 1lkj h ALA 33 N 1.02 1.12 -0.47 1.25 0.00 -1.73 -1.87 119.26 118.58 1lkj h ALA 33 Ca 0.11 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1lkj h ALA 33 Cb 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1lkj h ALA 33 CO -0.25 0.45 -0.12 1.15 0.00 0.00 0.00 179.25 180.47 1lkj h THR 34 N 1.13 1.26 -0.74 0.00 2.02 -1.53 -2.45 112.91 112.60 1lkj h THR 34 Ca 0.33 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1lkj h THR 34 Cb -0.06 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1lkj h THR 34 CO -0.09 0.43 0.34 0.58 0.37 0.00 0.00 175.52 177.14 1lkj h VAL 35 N 0.79 1.24 -0.22 3.16 2.07 0.11 -2.13 116.25 121.26 1lkj h VAL 35 Ca 0.13 -0.69 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 1lkj h VAL 35 Cb 0.64 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1lkj h VAL 35 CO 0.04 0.29 -0.32 0.24 0.02 0.00 0.00 177.57 177.84 1lkj h MET 36 N 1.05 0.46 -0.30 1.57 2.86 -1.12 -1.60 114.93 117.86 1lkj h MET 36 Ca 0.25 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1lkj h MET 36 Cb 0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1lkj h MET 36 CO -0.03 0.73 -0.19 0.00 1.06 0.00 0.00 176.91 178.49 1lkj h ARG 37 N 0.40 0.54 0.07 1.72 3.08 -0.93 -1.12 114.38 118.13 1lkj h ARG 37 Ca 0.05 -0.18 -0.25 0.00 0.07 0.00 0.00 59.98 59.67 1lkj h ARG 37 Cb 0.76 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1lkj h ARG 37 CO 0.06 0.70 -1.09 1.03 -1.07 0.00 0.00 179.97 179.60 1lkj h SER 38 N 0.49 0.41 0.17 7.04 0.87 -1.17 -3.18 113.55 118.17 1lkj h SER 38 Ca 0.08 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 1lkj h SER 38 Cb 0.60 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1lkj h SER 38 CO 0.04 1.25 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.47 1lkj h LEU 39 N 0.12 0.00 0.00 2.23 3.38 -1.12 -3.45 115.31 116.47 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 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1lkj h LEU 39 CO 0.18 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1lkj n GLY 40 N -1.01 1.80 3.23 0.83 0.00 -1.13 -5.11 105.19 103.82 1lkj n GLY 40 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1lkj n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lkj n LEU 41 N 0.00 0.00 -2.70 0.99 4.77 -0.44 -5.04 117.00 114.58 1lkj n LEU 41 Ca 0.00 -2.85 -0.06 0.00 -0.03 0.00 0.00 56.01 53.07 1lkj n LEU 41 Cb 0.00 0.38 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1lkj n LEU 41 CO 0.00 -0.41 0.43 -0.24 -1.33 0.00 0.00 177.39 175.84 1lkj n SER 42 N -1.30 -2.02 -4.75 -1.43 2.88 -1.26 -4.36 113.62 101.38 1lkj n SER 42 Ca -0.18 -2.53 -0.41 0.00 -1.33 0.00 0.00 58.87 54.42 1lkj n SER 42 Cb 0.57 1.28 -0.04 0.00 -0.75 0.00 0.00 64.21 65.28 1lkj n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1lkj s PRO 43 N 0.36 4.53 1.06 -1.46 0.04 -1.26 -5.01 135.00 133.25 1lkj s PRO 43 Ca 0.28 1.89 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 1lkj s PRO 43 Cb 0.23 -3.20 0.22 0.00 0.04 0.00 0.00 34.50 31.79 1lkj s PRO 43 CO -0.16 0.01 1.07 -1.12 0.04 0.00 0.00 177.00 176.85 1lkj s SER 44 N -0.33 1.86 0.55 6.66 0.01 -1.26 -4.66 113.70 116.54 1lkj s SER 44 Ca 0.49 1.74 0.25 0.00 1.31 0.00 0.00 55.95 59.74 1lkj s SER 44 Cb -0.33 -2.38 1.47 0.00 0.21 0.00 0.00 66.02 64.99 1lkj s SER 44 CO 0.40 -3.69 2.05 -0.08 0.41 0.00 0.00 173.24 172.34 1lkj h GLU 45 N -2.27 0.00 -0.32 12.44 4.81 -2.00 -0.88 114.58 126.36 1lkj h GLU 45 Ca -0.54 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 1lkj h GLU 45 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1lkj h GLU 45 CO 0.48 0.00 -0.35 0.00 -0.73 0.00 0.00 179.01 178.41 1lkj h ALA 46 N 1.78 0.47 -0.26 2.92 0.00 -2.00 -1.95 119.26 120.23 1lkj h ALA 46 Ca 0.15 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1lkj h ALA 46 Cb 0.66 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1lkj h ALA 46 CO -0.00 0.54 -0.29 0.93 0.00 0.00 0.00 179.25 180.43 1lkj h GLU 47 N 0.57 0.53 -0.34 0.00 4.39 -1.50 -2.63 114.58 115.60 1lkj h GLU 47 Ca 0.05 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.39 1lkj h GLU 47 Cb 0.94 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1lkj h GLU 47 CO 0.09 0.77 -0.32 0.28 -1.16 0.00 0.00 179.01 178.67 1lkj h VAL 48 N 0.46 1.29 -0.89 3.13 2.07 -1.32 -2.72 116.25 118.26 1lkj h VAL 48 Ca 0.06 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1lkj h VAL 48 Cb 0.74 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1lkj h VAL 48 CO 0.06 0.49 0.48 -1.13 0.02 0.00 0.00 177.57 177.48 1lkj h ASN 49 N 0.61 1.13 -0.08 0.57 -0.73 -1.23 -0.44 115.58 115.40 1lkj h ASN 49 Ca 0.06 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 58.12 1lkj h ASN 49 Cb 0.90 -0.29 -0.00 0.00 0.27 0.00 0.00 38.32 39.19 1lkj h ASN 49 CO 0.08 0.91 0.03 0.44 -0.37 0.00 0.00 177.43 178.53 1lkj h ASP 50 N 1.25 0.10 -0.70 1.15 3.32 -1.39 0.50 116.42 120.66 1lkj h ASP 50 Ca 0.31 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1lkj h ASP 50 Cb 0.05 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1lkj h ASP 50 CO -0.05 0.22 0.26 -0.07 -1.72 0.00 0.00 179.24 177.87 1lkj h LEU 51 N -0.02 1.00 -1.12 1.55 4.07 -1.25 -2.15 115.31 117.39 1lkj h LEU 51 Ca 0.03 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.73 1lkj h LEU 51 Cb 0.14 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1lkj h LEU 51 CO -0.00 0.90 -0.43 0.24 -1.08 0.00 0.00 178.44 178.07 1lkj h MET 52 N 1.04 0.00 -0.39 1.13 2.86 -0.84 -2.46 114.93 116.27 1lkj h MET 52 Ca 0.24 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.77 1lkj h MET 52 Cb 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1lkj h MET 52 CO -0.01 0.43 -0.16 -0.97 1.06 0.00 0.00 176.91 177.26 1lkj h ASN 53 N 0.00 0.82 0.32 1.22 -0.73 -0.25 0.82 115.58 117.77 1lkj h ASN 53 Ca -0.00 -0.39 -0.12 0.00 1.87 0.00 0.00 56.30 57.65 1lkj h ASN 53 Cb 0.79 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 1lkj h ASN 53 CO 0.06 1.02 -0.50 -0.08 -0.37 0.00 0.00 177.43 177.56 1lkj h GLU 54 N 0.60 0.20 0.00 6.67 4.81 -1.33 -3.34 114.58 122.19 1lkj h GLU 54 Ca 0.09 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1lkj h GLU 54 Cb 0.70 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 1lkj h GLU 54 CO 0.05 0.66 -0.36 0.82 -0.73 0.00 0.00 179.01 179.44 1lkj h ILE 55 N 0.16 0.12 -2.03 2.32 2.04 -1.29 -3.44 117.51 115.39 1lkj h ILE 55 Ca 0.01 -1.12 -0.58 0.00 1.00 0.00 0.00 64.86 64.17 1lkj h ILE 55 Cb 0.94 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1lkj h ILE 55 CO 0.07 0.04 1.46 -0.67 0.00 0.00 0.00 178.15 179.05 1lkj n ASP 56 N -4.66 3.39 0.00 1.72 2.03 0.28 -4.75 116.55 114.56 1lkj n ASP 56 Ca -0.06 0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1lkj n ASP 56 Cb 0.21 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.06 1lkj n ASP 56 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1lkj n VAL 57 N 7.43 0.00 -0.12 5.18 0.31 -1.26 -4.72 118.33 125.16 1lkj n VAL 57 Ca 0.29 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.39 1lkj n VAL 57 Cb 0.44 -1.36 -0.09 0.00 -0.91 0.00 0.00 33.84 31.91 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 -2.93 1.90 0.11 4.52 -0.08 -1.26 -5.03 116.55 113.77 1lkj n ASP 58 Ca 0.00 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1lkj n ASP 58 Cb 0.49 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.36 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 1.81 -1.67 0.01 0.27 0.00 -1.26 -5.02 105.19 99.33 1lkj n GLY 59 Ca -0.45 0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1lkj n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lkj n ASN 60 N -2.95 4.04 -2.36 1.61 6.94 -1.26 -4.95 115.26 116.33 1lkj n ASN 60 Ca 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 1lkj n ASN 60 Cb 0.00 0.06 -0.01 0.00 -2.36 0.00 0.00 39.78 37.47 1lkj n ASN 60 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1lkj n HIS 61 N -2.46 -4.05 -2.68 -2.53 -0.00 -1.26 -3.76 115.22 98.48 1lkj n HIS 61 Ca -0.02 2.40 -0.42 0.00 0.46 0.00 0.00 57.72 60.14 1lkj n HIS 61 Cb 0.52 -3.41 -0.03 0.00 -0.12 0.00 0.00 29.99 26.95 1lkj n HIS 61 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1lkj s GLN 62 N -0.52 4.43 0.06 1.57 -0.21 -1.26 -3.83 119.66 119.91 1lkj s GLN 62 Ca -0.04 1.41 -0.24 0.00 0.02 0.00 0.00 55.36 56.51 1lkj s GLN 62 Cb 0.00 -3.53 -0.06 0.00 1.00 0.00 0.00 33.01 30.42 1lkj s GLN 62 CO 0.10 -0.29 0.74 0.42 -2.12 0.00 0.00 175.29 174.14 1lkj s ILE 63 N 1.90 4.68 0.31 1.08 1.01 0.18 -4.84 121.20 125.53 1lkj s ILE 63 Ca 0.49 1.59 0.02 0.00 0.00 0.00 0.00 60.65 62.75 1lkj s ILE 63 Cb -0.19 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1lkj s ILE 63 CO 0.19 0.41 0.49 -1.61 0.00 0.00 0.00 174.94 174.42 1lkj s GLU 64 N -0.31 3.45 0.35 2.79 2.02 -1.26 -1.46 118.70 124.28 1lkj s GLU 64 Ca 0.37 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 54.92 1lkj s GLU 64 Cb -0.21 -2.74 0.70 0.00 0.10 0.00 0.00 34.13 31.99 1lkj s GLU 64 CO 0.23 0.23 1.96 0.35 0.02 0.00 0.00 175.26 178.04 1lkj h PHE 65 N 0.88 0.81 0.27 1.61 3.57 -1.98 0.21 116.94 122.31 1lkj h PHE 65 Ca -0.50 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1lkj h PHE 65 Cb 1.22 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1lkj h PHE 65 CO 0.49 0.43 -0.13 0.77 -2.23 0.00 0.00 178.31 177.64 1lkj h SER 66 N 0.81 -0.31 0.23 0.41 0.02 -1.94 -0.51 113.55 112.26 1lkj h SER 66 Ca 0.32 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1lkj h SER 66 Cb 0.22 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1lkj h SER 66 CO -0.11 -0.10 -0.22 -0.33 -1.14 0.00 0.00 176.83 174.93 1lkj h GLU 67 N -0.50 0.00 -0.02 3.45 4.39 -1.86 -2.49 114.58 117.55 1lkj h GLU 67 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1lkj h GLU 67 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1lkj h GLU 67 CO 0.06 0.22 -0.02 0.35 -1.16 0.00 0.00 179.01 178.47 1lkj h PHE 68 N 0.00 0.06 -0.22 4.33 3.57 -0.63 -2.05 116.94 122.00 1lkj h PHE 68 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1lkj h PHE 68 Cb 0.40 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1lkj h PHE 68 CO 0.00 0.49 0.13 -0.07 -2.23 0.00 0.00 178.31 176.64 1lkj h LEU 69 N -0.40 0.25 -0.01 0.59 3.38 -0.92 -1.31 115.31 116.90 1lkj h LEU 69 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lkj h LEU 69 Cb 0.48 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1lkj h LEU 69 CO 0.00 0.20 -0.01 0.00 0.09 0.00 0.00 178.44 178.72 1lkj h ALA 70 N 1.85 0.01 -0.66 1.53 0.00 -1.34 -1.49 119.26 119.17 1lkj h ALA 70 Ca 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1lkj h ALA 70 Cb -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1lkj h ALA 70 CO -0.02 -0.22 0.40 -0.07 0.00 0.00 0.00 179.25 179.34 1lkj h LEU 71 N -0.48 0.78 -0.34 0.00 3.38 -1.02 -2.33 115.31 115.30 1lkj h LEU 71 Ca 0.00 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1lkj h LEU 71 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1lkj h LEU 71 CO 0.00 0.59 -0.24 0.24 0.09 0.00 0.00 178.44 179.12 1lkj h MET 72 N 0.90 0.77 -0.25 1.13 2.86 -1.21 -1.80 114.93 117.32 1lkj h MET 72 Ca 0.24 -0.37 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1lkj h MET 72 Cb -0.05 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1lkj h MET 72 CO -0.05 0.99 0.17 1.03 1.06 0.00 0.00 176.91 180.11 1lkj h SER 73 N 0.54 0.22 0.92 1.22 0.87 -0.76 0.80 113.55 117.37 1lkj h SER 73 Ca 0.07 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.40 1lkj h SER 73 Cb 0.80 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1lkj h SER 73 CO 0.06 0.16 -1.03 0.08 -0.53 0.00 0.00 176.83 175.57 1lkj h ARG 74 N 0.26 0.05 0.09 2.24 0.11 -1.21 0.86 114.38 116.78 1lkj h ARG 74 Ca 0.10 -0.09 -0.28 0.00 0.10 0.00 0.00 59.98 59.81 1lkj h ARG 74 Cb 0.08 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1lkj h ARG 74 CO -0.02 1.03 -1.39 1.96 0.10 0.00 0.00 179.97 181.65 1lkj h GLN 75 N 0.02 0.19 0.02 0.08 1.08 -0.35 -3.36 115.11 112.79 1lkj h GLN 75 Ca -0.03 -0.32 -0.35 0.00 -1.45 0.00 0.00 58.65 56.50 1lkj h GLN 75 Cb 1.78 0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 29.27 1lkj h GLN 75 CO 0.14 1.06 -2.12 1.28 -0.95 0.00 0.00 178.83 178.24 1lkj n LEU 76 N -3.41 1.24 0.00 1.46 4.77 0.27 -5.05 117.00 116.28 1lkj n LEU 76 Ca -0.12 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1lkj n LEU 76 Cb 1.02 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1lkj n LEU 76 CO 0.50 0.60 0.00 0.29 -1.33 0.00 0.00 177.39 177.45 1lkj n LYS 77 N -3.06 0.00 0.03 3.23 5.02 0.30 -4.94 118.16 118.75 1lkj n LYS 77 Ca -0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1lkj n LYS 77 Cb 1.08 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.09 1lkj n LYS 77 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lkj n SER 78 N -3.93 -0.59 -1.06 4.39 2.88 -1.26 -5.00 113.62 109.04 1lkj n SER 78 Ca 0.00 0.17 -0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1lkj n SER 78 Cb 0.00 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1lkj n SER 78 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1lkj n ASN 79 N -2.52 -0.06 -3.49 -3.46 6.94 -1.26 -5.14 115.26 106.27 1lkj n ASN 79 Ca 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1lkj n ASN 79 Cb 0.00 0.11 -0.05 0.00 -2.36 0.00 0.00 39.78 37.48 1lkj n ASN 79 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1lkj s ASP 80 N -1.07 -0.67 0.25 0.53 -1.08 -1.26 -4.72 116.67 108.66 1lkj s ASP 80 Ca 0.01 0.95 0.12 0.00 -0.52 0.00 0.00 52.55 53.10 1lkj s ASP 80 Cb -0.00 1.67 0.19 0.00 -1.46 0.00 0.00 42.92 43.33 1lkj s ASP 80 CO 0.00 -0.14 1.50 0.28 0.52 0.00 0.00 175.17 177.34 1lkj h SER 81 N 7.31 0.00 0.46 -0.34 0.02 -2.02 -3.24 113.55 115.74 1lkj h SER 81 Ca -0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1lkj h SER 81 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1lkj h SER 81 CO 0.11 0.66 -0.22 -0.08 -1.14 0.00 0.00 176.83 176.16 1lkj h GLU 82 N 0.00 -0.60 -0.60 3.45 4.81 -1.98 -2.46 114.58 117.20 1lkj h GLU 82 Ca -0.01 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1lkj h GLU 82 Cb 1.32 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.80 1lkj h GLU 82 CO 0.09 -0.37 0.41 1.96 -0.73 0.00 0.00 179.01 180.36 1lkj h GLN 83 N -0.67 0.36 -0.46 1.92 4.20 -1.99 -1.41 115.11 117.06 1lkj h GLN 83 Ca -0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1lkj h GLN 83 Cb 0.50 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1lkj h GLN 83 CO 0.10 0.24 0.20 0.93 -0.67 0.00 0.00 178.83 179.64 1lkj h GLU 84 N 0.38 0.67 -0.23 1.46 4.39 -1.47 -1.36 114.58 118.40 1lkj h GLU 84 Ca 0.28 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1lkj h GLU 84 Cb 0.60 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1lkj h GLU 84 CO -0.07 0.59 0.08 -0.07 -1.16 0.00 0.00 179.01 178.37 1lkj h LEU 85 N 0.60 0.34 -1.62 1.33 3.38 -0.85 -2.04 115.31 116.44 1lkj h LEU 85 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1lkj h LEU 85 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1lkj h LEU 85 CO -0.02 0.43 0.24 -0.07 0.09 0.00 0.00 178.44 179.12 1lkj h LEU 86 N 0.22 0.43 -0.04 1.67 3.38 -1.29 -0.86 115.31 118.81 1lkj h LEU 86 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1lkj h LEU 86 Cb 0.21 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1lkj h LEU 86 CO -0.00 0.32 -0.02 -0.33 0.09 0.00 0.00 178.44 178.49 1lkj h GLU 87 N 0.51 0.09 -0.76 1.13 4.39 -0.88 -2.09 114.58 116.97 1lkj h GLU 87 Ca 0.14 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1lkj h GLU 87 Cb -0.05 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1lkj h GLU 87 CO -0.03 0.50 0.34 0.00 -1.16 0.00 0.00 179.01 178.66 1lkj h ALA 88 N 0.59 0.98 -0.22 3.43 0.00 -1.03 -2.29 119.26 120.73 1lkj h ALA 88 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1lkj h ALA 88 Cb 0.47 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1lkj h ALA 88 CO 0.01 0.57 -0.07 0.74 0.00 0.00 0.00 179.25 180.49 1lkj h PHE 89 N 1.08 0.35 -0.30 0.00 0.04 -1.15 -2.65 116.94 114.32 1lkj h PHE 89 Ca 0.26 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.92 1lkj h PHE 89 Cb 0.15 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1lkj h PHE 89 CO 0.01 0.41 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.82 1lkj h LYS 90 N 0.32 0.60 -0.88 1.51 3.64 -0.82 -2.34 116.57 118.60 1lkj h LYS 90 Ca 0.07 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1lkj h LYS 90 Cb 0.34 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1lkj h LYS 90 CO 0.02 0.80 0.52 0.28 -2.27 0.00 0.00 179.45 178.80 1lkj h VAL 91 N 0.36 1.24 0.00 2.00 2.07 -1.22 -1.74 116.25 118.96 1lkj h VAL 91 Ca 0.07 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1lkj h VAL 91 Cb 0.59 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1lkj h VAL 91 CO 0.03 0.26 -0.28 -0.26 0.02 0.00 0.00 177.57 177.35 1lkj h PHE 92 N 1.21 0.00 -3.87 1.57 -1.00 -1.38 -3.43 116.94 110.04 1lkj h PHE 92 Ca 0.31 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.60 1lkj h PHE 92 Cb -0.04 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.53 1lkj h PHE 92 CO 0.00 0.28 0.43 0.34 -1.61 0.00 0.00 178.31 177.75 1lkj s ASP 93 N -6.57 7.08 -0.52 2.17 2.15 -0.66 -4.96 116.67 115.37 1lkj s ASP 93 Ca -0.02 2.12 0.02 0.00 0.43 0.00 0.00 52.55 55.10 1lkj s ASP 93 Cb 0.13 -2.60 0.45 0.00 -0.30 0.00 0.00 42.92 40.59 1lkj s ASP 93 CO 0.67 -0.27 1.66 0.29 -0.17 0.00 0.00 175.17 177.35 1lkj n LYS 94 N 0.63 3.10 0.00 4.34 4.76 -1.26 -4.59 118.16 125.13 1lkj n LYS 94 Ca 0.02 -3.71 0.00 0.00 -2.87 0.00 0.00 58.31 51.74 1lkj n LYS 94 Cb 0.47 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 1lkj n LYS 94 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1lkj n ASN 95 N -0.79 0.00 0.00 4.39 3.02 -1.26 -5.04 115.26 115.58 1lkj n ASN 95 Ca 0.54 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1lkj n ASN 95 Cb 0.75 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1lkj n GLY 96 N -1.25 1.92 0.00 7.41 0.00 -1.26 -5.00 105.19 107.02 1lkj n GLY 96 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1lkj n GLY 96 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lkj n ASP 97 N 0.00 2.52 -0.28 1.61 5.75 -1.26 -5.03 116.55 119.87 1lkj n ASP 97 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 1lkj n ASP 97 Cb 0.00 1.23 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lkj n GLY 98 N 1.83 0.59 2.64 6.12 0.00 -1.26 -4.99 105.19 110.12 1lkj n GLY 98 Ca -0.01 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.56 0.48 0.22 0.99 1.43 -1.26 -2.61 118.68 117.36 1lkj s LEU 99 Ca 0.00 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1lkj s LEU 99 Cb 0.00 -0.30 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 1lkj s LEU 99 CO 0.00 -0.34 -0.14 0.27 0.23 0.00 0.00 176.35 176.37 1lkj s ILE 100 N 2.09 1.79 0.63 -0.59 -4.36 -0.43 -4.74 121.20 115.59 1lkj s ILE 100 Ca 0.02 -2.22 -0.11 0.00 -0.26 0.00 0.00 60.65 58.07 1lkj s ILE 100 Cb -0.16 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 1lkj s ILE 100 CO -0.09 -0.56 1.03 -0.44 0.24 0.00 0.00 174.94 175.13 1lkj s SER 101 N -3.34 6.16 0.38 4.36 0.01 -1.26 0.76 113.70 120.77 1lkj s SER 101 Ca 0.24 1.41 0.13 0.00 1.31 0.00 0.00 55.95 59.04 1lkj s SER 101 Cb -0.01 -2.45 0.93 0.00 0.21 0.00 0.00 66.02 64.71 1lkj s SER 101 CO 0.08 -0.91 1.87 0.00 0.41 0.00 0.00 173.24 174.68 1lkj h ALA 102 N -0.35 1.98 -0.10 1.44 0.00 -1.80 -1.25 119.26 119.19 1lkj h ALA 102 Ca -0.44 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1lkj h ALA 102 Cb 1.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1lkj h ALA 102 CO 0.62 -0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.67 1lkj h ALA 103 N 1.61 0.12 -0.44 0.00 0.00 -1.92 -2.18 119.26 116.46 1lkj h ALA 103 Ca 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1lkj h ALA 103 Cb 0.89 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1lkj h ALA 103 CO -0.19 -0.31 0.14 0.93 0.00 0.00 0.00 179.25 179.81 1lkj h GLU 104 N 0.03 0.65 -0.86 0.00 5.08 -1.63 -2.11 114.58 115.74 1lkj h GLU 104 Ca 0.03 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1lkj h GLU 104 Cb 0.12 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1lkj h GLU 104 CO -0.00 0.57 0.42 1.25 -1.00 0.00 0.00 179.01 180.25 1lkj h LEU 105 N 0.64 1.11 -0.56 1.33 5.85 -0.92 -1.07 115.31 121.68 1lkj h LEU 105 Ca 0.15 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1lkj h LEU 105 Cb 0.20 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1lkj h LEU 105 CO -0.01 0.93 -0.53 0.50 -0.34 0.00 0.00 178.44 178.99 1lkj h LYS 106 N 1.22 0.53 0.00 1.25 3.64 -0.87 -2.37 116.57 119.96 1lkj h LYS 106 Ca 0.30 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1lkj h LYS 106 Cb 0.11 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1lkj h LYS 106 CO -0.04 0.92 -0.47 1.25 -2.27 0.00 0.00 179.45 178.84 1lkj h HIS 107 N 0.41 0.00 0.02 1.91 2.76 -0.97 -2.60 115.15 116.68 1lkj h HIS 107 Ca 0.01 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.96 1lkj h HIS 107 Cb 1.06 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.04 1lkj h HIS 107 CO 0.04 0.47 -0.90 0.28 -1.30 0.00 0.00 177.93 176.53 1lkj h VAL 108 N 0.00 1.35 -0.52 5.26 2.07 -1.05 -1.95 116.25 121.41 1lkj h VAL 108 Ca -0.00 -2.23 -0.05 0.00 0.82 0.00 0.00 66.70 65.24 1lkj h VAL 108 Cb 0.89 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 33.18 1lkj h VAL 108 CO 0.06 0.67 0.12 -0.07 0.02 0.00 0.00 177.57 178.37 1lkj h LEU 109 N 0.15 0.74 -0.25 2.57 3.38 -1.37 -0.89 115.31 119.64 1lkj h LEU 109 Ca -0.12 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 1lkj h LEU 109 Cb 1.59 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1lkj h LEU 109 CO 0.18 0.74 -0.78 0.74 0.09 0.00 0.00 178.44 179.40 1lkj h THR 110 N 0.77 1.44 -0.08 0.22 2.02 -1.50 -3.16 112.91 112.61 1lkj h THR 110 Ca 0.17 -2.77 -0.19 0.00 0.77 0.00 0.00 66.41 64.39 1lkj h THR 110 Cb 0.30 2.54 0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1lkj h THR 110 CO -0.00 0.76 -0.69 0.28 0.37 0.00 0.00 175.52 176.24 1lkj h SER 111 N 0.00 0.74 0.16 4.18 0.02 -0.89 -3.13 113.55 114.62 1lkj h SER 111 Ca -0.01 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.24 1lkj h SER 111 Cb 1.48 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1lkj h SER 111 CO 0.10 1.31 -0.08 0.40 -1.14 0.00 0.00 176.83 177.42 1lkj h ILE 112 N 0.23 0.76 -0.26 3.27 2.04 -1.24 -3.46 117.51 118.85 1lkj h ILE 112 Ca -0.07 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1lkj h ILE 112 Cb 1.35 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1lkj h ILE 112 CO 0.14 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.98 1lkj n GLY 113 N -1.08 0.74 3.81 5.37 0.00 -1.18 -5.05 105.19 107.79 1lkj n GLY 113 Ca -0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.71 2.12 -1.07 1.61 0.41 -1.21 -4.96 118.70 111.89 1lkj s GLU 114 Ca 0.00 0.62 -0.02 0.00 -0.41 0.00 0.00 54.97 55.16 1lkj s GLU 114 Cb 0.00 -1.92 0.30 0.00 -1.78 0.00 0.00 34.13 30.73 1lkj s GLU 114 CO 0.00 -1.59 1.80 1.63 -0.49 0.00 0.00 175.26 176.61 1lkj n LYS 115 N -3.41 5.16 -3.95 1.61 4.01 -1.26 -4.93 118.16 115.39 1lkj n LYS 115 Ca 0.07 -4.54 -0.30 0.00 -0.51 0.00 0.00 58.31 53.03 1lkj n LYS 115 Cb 0.56 -2.50 -0.16 0.00 -0.51 0.00 0.00 35.03 32.43 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1lkj s LEU 116 N -3.79 2.36 0.00 -0.35 1.43 -1.26 -5.13 118.68 111.94 1lkj s LEU 116 Ca 0.38 -1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 52.37 1lkj s LEU 116 Cb 0.16 -1.17 0.15 0.00 0.03 0.00 0.00 46.19 45.36 1lkj s LEU 116 CO -0.08 -0.20 0.40 0.35 0.23 0.00 0.00 176.35 177.05 1lkj n THR 117 N 4.70 0.00 0.08 5.49 -2.24 -1.26 -4.83 114.28 116.22 1lkj n THR 117 Ca -0.13 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 1lkj n THR 117 Cb 0.45 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 1lkj n THR 117 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1lkj h ASP 118 N -2.41 0.02 -0.62 3.42 3.32 -2.00 -3.24 116.42 114.91 1lkj h ASP 118 Ca -0.17 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 1lkj h ASP 118 Cb 0.55 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1lkj h ASP 118 CO 0.10 0.91 0.16 0.00 -1.72 0.00 0.00 179.24 178.69 1lkj h ALA 119 N 1.09 0.82 -0.06 3.45 0.00 -2.00 -1.95 119.26 120.62 1lkj h ALA 119 Ca -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1lkj h ALA 119 Cb 1.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1lkj h ALA 119 CO 0.12 0.52 0.03 0.93 0.00 0.00 0.00 179.25 180.86 1lkj h GLU 120 N 0.91 0.08 0.00 0.00 4.39 -1.91 -2.11 114.58 115.94 1lkj h GLU 120 Ca 0.20 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1lkj h GLU 120 Cb 0.35 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1lkj h GLU 120 CO 0.00 0.12 -0.08 0.28 -1.16 0.00 0.00 179.01 178.17 1lkj h VAL 121 N 0.02 0.85 -0.38 3.13 2.07 -1.56 -2.29 116.25 118.09 1lkj h VAL 121 Ca 0.02 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1lkj h VAL 121 Cb 0.07 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1lkj h VAL 121 CO -0.00 0.08 -0.05 -0.78 0.02 0.00 0.00 177.57 176.84 1lkj h ASP 122 N 0.00 0.70 0.21 0.57 3.58 -0.69 0.45 116.42 121.24 1lkj h ASP 122 Ca -0.00 -0.34 -0.10 0.00 0.42 0.00 0.00 57.03 57.01 1lkj h ASP 122 Cb 0.17 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1lkj h ASP 122 CO 0.01 0.87 -0.40 0.44 -2.88 0.00 0.00 179.24 177.28 1lkj h ASP 123 N 0.51 0.26 1.27 2.28 5.19 -1.03 -2.69 116.42 122.21 1lkj h ASP 123 Ca 0.10 -0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 56.27 1lkj h ASP 123 Cb 0.54 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1lkj h ASP 123 CO 0.03 0.64 -0.64 0.24 -3.12 0.00 0.00 179.24 176.39 1lkj h MET 124 N 0.21 0.00 -0.14 3.56 2.86 -1.25 -3.11 114.93 117.06 1lkj h MET 124 Ca 0.02 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1lkj h MET 124 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1lkj h MET 124 CO 0.06 0.64 -0.30 -0.07 1.06 0.00 0.00 176.91 178.30 1lkj h LEU 125 N 0.00 0.50 -1.39 1.22 3.38 -0.66 -1.48 115.31 116.88 1lkj h LEU 125 Ca -0.01 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 1lkj h LEU 125 Cb 1.44 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1lkj h LEU 125 CO 0.08 0.97 -0.22 0.03 0.09 0.00 0.00 178.44 179.40 1lkj h ARG 126 N 0.06 0.12 0.00 1.13 -0.00 -1.57 0.91 114.38 115.03 1lkj h ARG 126 Ca 0.00 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.98 59.27 1lkj h ARG 126 Cb 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.83 1lkj h ARG 126 CO 0.07 0.35 -0.86 0.93 0.00 0.00 0.00 179.97 180.45 1lkj h GLU 127 N 0.12 0.00 0.00 0.04 3.07 -1.49 -3.38 114.58 112.94 1lkj h GLU 127 Ca 0.02 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.68 1lkj h GLU 127 Cb 0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1lkj h GLU 127 CO 0.03 0.86 -1.48 0.28 -1.40 0.00 0.00 179.01 177.31 1lkj n VAL 128 N -3.32 1.50 -1.95 3.13 0.31 -0.56 -4.93 118.33 112.50 1lkj n VAL 128 Ca 0.01 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 1lkj n VAL 128 Cb 0.88 -2.14 -0.01 0.00 -0.91 0.00 0.00 33.84 31.66 1lkj n VAL 128 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1lkj s SER 129 N -6.59 6.52 -0.34 4.52 0.15 0.31 -4.91 113.70 113.35 1lkj s SER 129 Ca -0.30 2.88 0.06 0.00 0.70 0.00 0.00 55.95 59.29 1lkj s SER 129 Cb 0.08 -2.66 0.47 0.00 -1.71 0.00 0.00 66.02 62.19 1lkj s SER 129 CO 0.44 -0.73 1.40 0.47 1.20 0.00 0.00 173.24 176.02 1lkj n ASP 130 N 0.58 4.42 -1.86 5.45 8.00 -1.26 -4.69 116.55 127.18 1lkj n ASP 130 Ca 0.01 -3.79 -0.12 0.00 0.71 0.00 0.00 54.79 51.60 1lkj n ASP 130 Cb 0.41 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lkj n GLY 131 N -0.89 0.09 0.01 0.44 0.00 -1.26 -4.92 105.19 98.66 1lkj n GLY 131 Ca 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.64 4.18 0.00 1.61 7.64 -1.26 -5.04 113.62 120.10 1lkj n SER 132 Ca -0.04 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1lkj n SER 132 Cb 0.55 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 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 3.18 2.66 3.80 0.23 0.00 -1.26 -5.06 105.19 108.73 1lkj n GLY 133 Ca -0.03 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 4.01 0.04 1.61 2.02 -1.26 -2.16 118.70 122.95 1lkj s GLU 134 Ca 0.00 0.26 0.08 0.00 0.02 0.00 0.00 54.97 55.33 1lkj s GLU 134 Cb 0.00 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1lkj s GLU 134 CO 0.00 0.50 -0.22 0.42 0.02 0.00 0.00 175.26 175.98 1lkj s ILE 135 N -0.41 1.79 -0.11 -1.63 1.01 0.23 -4.76 121.20 117.32 1lkj s ILE 135 Ca 0.21 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.38 1lkj s ILE 135 Cb -0.15 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1lkj s ILE 135 CO 0.09 0.28 0.88 0.20 0.00 0.00 0.00 174.94 176.39 1lkj s ASN 136 N -1.10 7.09 0.59 3.58 -0.87 -1.26 -1.32 114.94 121.66 1lkj s ASN 136 Ca 0.09 1.34 0.36 0.00 -1.57 0.00 0.00 52.86 53.07 1lkj s ASN 136 Cb -0.09 -2.49 1.85 0.00 -0.02 0.00 0.00 41.25 40.50 1lkj s ASN 136 CO 0.01 -0.35 2.18 0.16 -2.57 0.00 0.00 177.10 176.54 1lkj h ILE 137 N 5.04 0.20 -0.29 0.60 3.07 -1.87 -2.76 117.51 121.50 1lkj h ILE 137 Ca -0.33 -0.28 -0.01 0.00 1.55 0.00 0.00 64.86 65.79 1lkj h ILE 137 Cb 1.16 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 1lkj h ILE 137 CO 0.82 0.03 0.15 1.56 -1.05 0.00 0.00 178.15 179.66 1lkj h GLN 138 N 0.00 0.41 0.22 0.16 1.08 -1.91 0.34 115.11 115.42 1lkj h GLN 138 Ca -0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1lkj h GLN 138 Cb 0.22 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1lkj h GLN 138 CO 0.00 0.38 -0.11 1.96 -0.95 0.00 0.00 178.83 180.11 1lkj h GLN 139 N 0.35 -0.29 -0.82 1.46 4.20 -1.89 0.49 115.11 118.60 1lkj h GLN 139 Ca 0.10 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1lkj h GLN 139 Cb 0.09 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1lkj h GLN 139 CO -0.01 -0.12 0.38 0.35 -0.67 0.00 0.00 178.83 178.75 1lkj h PHE 140 N -0.39 1.20 -0.25 2.96 3.57 -1.55 -1.52 116.94 120.97 1lkj h PHE 140 Ca -0.03 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 1lkj h PHE 140 Cb 0.30 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1lkj h PHE 140 CO -0.04 0.88 -0.16 0.00 -2.23 0.00 0.00 178.31 176.76 1lkj h ALA 141 N 1.23 1.27 -0.02 2.41 0.00 -0.11 -2.52 119.26 121.52 1lkj h ALA 141 Ca 0.28 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1lkj h ALA 141 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1lkj h ALA 141 CO -0.03 0.48 -0.73 0.00 0.00 0.00 0.00 179.25 178.97 1lkj h ALA 142 N 1.44 0.74 -0.27 0.00 0.00 -0.34 -2.33 119.26 118.50 1lkj h ALA 142 Ca 0.07 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 1lkj h ALA 142 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1lkj h ALA 142 CO 0.03 0.85 -0.38 -0.07 0.00 0.00 0.00 179.25 179.68 1lkj h LEU 143 N 0.09 0.66 -0.19 0.00 3.38 -0.93 -3.01 115.31 115.31 1lkj h LEU 143 Ca -0.02 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 1lkj h LEU 143 Cb 1.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1lkj h LEU 143 CO 0.11 0.97 -0.73 -0.07 0.09 0.00 0.00 178.44 178.80 1lkj h LEU 144 N 0.52 0.00 -9.95 1.67 3.38 -1.43 -3.45 115.31 106.04 1lkj h LEU 144 Ca 0.05 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.50 1lkj h LEU 144 Cb 0.89 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.72 1lkj h LEU 144 CO 0.08 0.73 0.56 -0.44 0.09 0.00 0.00 178.44 179.46 1lkj s SER 145 N -6.62 6.31 0.00 -0.43 0.01 -0.88 -5.11 113.70 106.98 1lkj s SER 145 Ca 0.02 2.52 0.09 0.00 1.31 0.00 0.00 55.95 59.88 1lkj s SER 145 Cb 0.10 -2.63 0.51 0.00 0.21 0.00 0.00 66.02 64.21 1lkj s SER 145 CO 0.78 -0.83 0.97 2.29 0.41 0.00 0.00 173.24 176.85