#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 -0.95 0.61 4.04 0.15 -1.26 -5.14 113.70 111.16 1lkj s SER 2 Ca 0.00 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1lkj s SER 2 Cb 0.00 1.83 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 1lkj s SER 2 CO 0.00 -0.20 0.00 -3.20 1.20 0.00 0.00 173.24 171.04 1lkj n ASN 3 N 4.86 -3.99 -4.65 5.45 2.85 -1.26 -4.55 115.26 113.96 1lkj n ASN 3 Ca -0.15 0.08 -0.46 0.00 -0.11 0.00 0.00 54.58 53.94 1lkj n ASN 3 Cb 0.53 -0.23 -0.03 0.00 1.24 0.00 0.00 39.78 41.29 1lkj n ASN 3 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1lkj n LEU 4 N 0.00 2.82 -4.71 1.20 4.77 -1.26 -4.95 117.00 114.87 1lkj n LEU 4 Ca 0.00 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 1lkj n LEU 4 Cb 0.03 -1.39 0.18 0.00 -2.33 0.00 0.00 43.42 39.92 1lkj n LEU 4 CO 0.00 -0.57 0.67 0.42 -1.33 0.00 0.00 177.39 176.58 1lkj s THR 5 N 0.19 1.91 0.37 -5.08 -4.23 -1.26 -4.71 115.64 102.83 1lkj s THR 5 Ca 0.72 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1lkj s THR 5 Cb -0.70 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 70.75 1lkj s THR 5 CO 0.47 0.00 1.96 -0.33 -0.54 0.00 0.00 174.62 176.18 1lkj h GLU 6 N -1.93 0.52 -0.23 3.99 5.08 -1.95 -0.88 114.58 119.19 1lkj h GLU 6 Ca -0.51 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 1lkj h GLU 6 Cb 1.32 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1lkj h GLU 6 CO 0.53 0.45 -0.03 0.93 -1.00 0.00 0.00 179.01 179.89 1lkj h GLU 7 N 0.51 0.42 -0.42 2.33 4.39 -1.99 -0.07 114.58 119.76 1lkj h GLU 7 Ca 0.12 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1lkj h GLU 7 Cb 0.15 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1lkj h GLU 7 CO -0.01 0.63 -0.02 1.96 -1.16 0.00 0.00 179.01 180.41 1lkj h GLN 8 N 0.16 0.75 -0.21 2.33 1.08 -1.83 -2.33 115.11 115.07 1lkj h GLN 8 Ca 0.06 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 56.93 1lkj h GLN 8 Cb 0.46 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1lkj h GLN 8 CO 0.02 0.84 -0.20 0.82 -0.95 0.00 0.00 178.83 179.36 1lkj h ILE 9 N 0.58 1.24 -0.17 2.54 2.04 -1.13 -2.49 117.51 120.12 1lkj h ILE 9 Ca 0.12 -1.08 -0.10 0.00 1.00 0.00 0.00 64.86 64.79 1lkj h ILE 9 Cb 0.52 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1lkj h ILE 9 CO 0.03 0.34 -0.34 0.00 0.00 0.00 0.00 178.15 178.17 1lkj h ALA 10 N 1.46 1.10 -0.04 1.87 0.00 -0.75 -2.15 119.26 120.75 1lkj h ALA 10 Ca 0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1lkj h ALA 10 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1lkj h ALA 10 CO 0.04 0.57 -0.02 1.49 0.00 0.00 0.00 179.25 181.33 1lkj h GLU 11 N 0.30 0.08 -0.56 0.00 4.81 -0.98 -2.59 114.58 115.64 1lkj h GLU 11 Ca 0.04 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1lkj h GLU 11 Cb 0.75 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1lkj h GLU 11 CO 0.06 0.46 0.28 0.74 -0.73 0.00 0.00 179.01 179.81 1lkj h PHE 12 N -0.30 0.76 -0.69 0.92 0.04 -1.44 -2.36 116.94 113.87 1lkj h PHE 12 Ca 0.01 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1lkj h PHE 12 Cb 0.43 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 1lkj h PHE 12 CO 0.06 0.55 0.34 -0.22 -0.60 0.00 0.00 178.31 178.45 1lkj h LYS 13 N 0.78 0.99 0.18 1.51 3.64 -1.29 0.18 116.57 122.56 1lkj h LYS 13 Ca 0.20 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1lkj h LYS 13 Cb 0.06 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1lkj h LYS 13 CO -0.03 0.78 -0.08 0.93 -2.27 0.00 0.00 179.45 178.77 1lkj h GLU 14 N 0.96 -0.23 -0.47 1.90 4.39 -1.03 0.10 114.58 120.22 1lkj h GLU 14 Ca 0.24 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.88 1lkj h GLU 14 Cb 0.10 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1lkj h GLU 14 CO -0.03 -0.07 -0.01 0.00 -1.16 0.00 0.00 179.01 177.74 1lkj h ALA 15 N 0.47 1.11 -0.55 3.43 0.00 -1.36 -2.05 119.26 120.32 1lkj h ALA 15 Ca -0.02 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1lkj h ALA 15 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1lkj h ALA 15 CO 0.04 0.57 -0.10 0.35 0.00 0.00 0.00 179.25 180.11 1lkj h PHE 16 N 0.72 1.17 0.00 0.00 3.04 -0.42 -2.77 116.94 118.67 1lkj h PHE 16 Ca 0.14 -0.24 -0.08 0.00 3.98 0.00 0.00 57.97 61.77 1lkj h PHE 16 Cb 0.45 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1lkj h PHE 16 CO 0.02 1.07 -0.37 0.00 -2.02 0.00 0.00 178.31 177.01 1lkj h ALA 17 N 0.93 1.16 -0.37 2.41 0.00 -0.55 -2.84 119.26 120.00 1lkj h ALA 17 Ca 0.14 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1lkj h ALA 17 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1lkj h ALA 17 CO 0.05 0.47 0.06 -0.07 0.00 0.00 0.00 179.25 179.75 1lkj h LEU 18 N 0.00 0.52 -3.58 0.00 3.38 -1.08 -2.52 115.31 112.03 1lkj h LEU 18 Ca -0.00 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.62 1lkj h LEU 18 Cb 0.77 -0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.23 1lkj h LEU 18 CO 0.05 0.55 0.19 0.49 0.09 0.00 0.00 178.44 179.81 1lkj n PHE 19 N -4.31 1.82 -3.87 1.13 3.01 -1.09 -4.85 117.46 109.30 1lkj n PHE 19 Ca 0.02 -1.54 -0.30 0.00 1.01 0.00 0.00 57.45 56.64 1lkj n PHE 19 Cb 0.21 -0.63 -0.15 0.00 -0.01 0.00 0.00 39.48 38.91 1lkj n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1lkj s ASP 20 N -1.92 4.33 -0.67 4.37 2.15 -0.95 -4.70 116.67 119.28 1lkj s ASP 20 Ca 0.49 -2.09 0.04 0.00 0.43 0.00 0.00 52.55 51.42 1lkj s ASP 20 Cb 0.43 -1.28 0.34 0.00 -0.30 0.00 0.00 42.92 42.11 1lkj s ASP 20 CO 0.06 -0.37 1.18 0.29 -0.17 0.00 0.00 175.17 176.16 1lkj n LYS 21 N 4.30 3.72 -0.14 4.34 4.76 -1.26 -4.63 118.16 129.25 1lkj n LYS 21 Ca 0.02 -4.76 0.00 0.00 -2.87 0.00 0.00 58.31 50.70 1lkj n LYS 21 Cb 0.40 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.31 1lkj n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1lkj n ASP 22 N -0.24 0.14 -3.72 4.39 5.68 -1.26 -5.03 116.55 116.52 1lkj n ASP 22 Ca 0.36 -1.36 -0.26 0.00 -0.50 0.00 0.00 54.79 53.03 1lkj n ASP 22 Cb 0.38 -0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.32 1lkj n ASP 22 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1lkj n ASN 23 N -0.05 -2.92 0.23 -1.12 3.02 -1.26 -4.79 115.26 108.36 1lkj n ASN 23 Ca 0.00 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1lkj n ASN 23 Cb 0.54 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.07 1lkj n ASN 23 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1lkj n ASN 24 N -2.91 -3.90 0.00 6.41 2.85 -1.26 -5.09 115.26 111.36 1lkj n ASN 24 Ca -0.21 0.87 0.00 0.00 -0.11 0.00 0.00 54.58 55.13 1lkj n ASN 24 Cb 0.64 3.65 0.00 0.00 1.24 0.00 0.00 39.78 45.31 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lkj n GLY 25 N -1.27 0.36 3.24 8.20 0.00 -1.26 -5.05 105.19 109.40 1lkj n GLY 25 Ca 0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 -0.35 0.16 1.61 1.04 -1.26 -3.35 113.70 111.55 1lkj s SER 26 Ca 0.00 0.66 0.07 0.00 0.48 0.00 0.00 55.95 57.16 1lkj s SER 26 Cb 0.00 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 1lkj s SER 26 CO 0.00 -0.14 -0.14 0.27 0.98 0.00 0.00 173.24 174.21 1lkj s ILE 27 N 0.10 1.52 0.49 -1.02 -4.36 -0.66 -4.73 121.20 112.54 1lkj s ILE 27 Ca -0.01 -1.98 -0.06 0.00 -0.26 0.00 0.00 60.65 58.35 1lkj s ILE 27 Cb -0.03 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 1lkj s ILE 27 CO 0.01 -0.52 0.80 -0.44 0.24 0.00 0.00 174.94 175.03 1lkj s SER 28 N -2.91 6.24 0.36 4.36 0.01 -1.26 0.07 113.70 120.57 1lkj s SER 28 Ca 0.16 0.95 0.05 0.00 1.31 0.00 0.00 55.95 58.42 1lkj s SER 28 Cb -0.02 -2.24 0.72 0.00 0.21 0.00 0.00 66.02 64.69 1lkj s SER 28 CO 0.04 -0.61 1.97 0.77 0.41 0.00 0.00 173.24 175.82 1lkj h SER 29 N 0.18 0.68 -0.21 2.44 4.64 -1.97 -0.42 113.55 118.88 1lkj h SER 29 Ca -0.47 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.92 1lkj h SER 29 Cb 1.21 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1lkj h SER 29 CO 0.62 0.45 0.20 0.28 -0.87 0.00 0.00 176.83 177.50 1lkj h SER 30 N 0.77 0.00 0.11 4.97 0.02 -1.93 -0.89 113.55 116.60 1lkj h SER 30 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1lkj h SER 30 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1lkj h SER 30 CO -0.10 0.00 -1.69 -0.62 -1.14 0.00 0.00 176.83 173.29 1lkj n GLU 31 N -4.04 0.52 -0.07 3.45 1.02 -0.26 -4.40 120.64 116.85 1lkj n GLU 31 Ca 0.02 -0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 56.96 1lkj n GLU 31 Cb 0.33 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.05 -1.08 -4.62 5.85 -0.15 -0.37 115.31 114.98 1lkj h LEU 32 Ca 0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1lkj h LEU 32 Cb 0.90 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1lkj h LEU 32 CO 0.00 0.06 0.62 0.00 -0.34 0.00 0.00 178.44 178.78 1lkj h ALA 33 N 1.19 1.39 -0.39 1.25 0.00 -1.76 -1.89 119.26 119.05 1lkj h ALA 33 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1lkj h ALA 33 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1lkj h ALA 33 CO -0.15 0.52 -0.25 1.15 0.00 0.00 0.00 179.25 180.52 1lkj h THR 34 N 1.19 1.27 -0.56 0.00 2.02 -1.59 -2.25 112.91 112.99 1lkj h THR 34 Ca 0.37 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1lkj h THR 34 Cb 0.00 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1lkj h THR 34 CO -0.11 0.46 0.29 0.58 0.37 0.00 0.00 175.52 177.11 1lkj h VAL 35 N 0.69 1.18 -0.11 3.16 2.07 -0.30 -1.16 116.25 121.77 1lkj h VAL 35 Ca 0.09 -0.46 -0.21 0.00 0.82 0.00 0.00 66.70 66.94 1lkj h VAL 35 Cb 0.78 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1lkj h VAL 35 CO 0.06 0.20 -0.77 0.24 0.02 0.00 0.00 177.57 177.32 1lkj h MET 36 N 0.78 0.60 -0.02 1.57 2.86 -1.20 -2.18 114.93 117.33 1lkj h MET 36 Ca 0.20 -0.50 -0.08 0.00 -2.06 0.00 0.00 59.70 57.26 1lkj h MET 36 Cb 0.04 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1lkj h MET 36 CO -0.03 1.12 -0.36 0.00 1.06 0.00 0.00 176.91 178.70 1lkj h ARG 37 N 0.40 0.04 0.10 1.72 3.08 -0.85 -0.09 114.38 118.79 1lkj h ARG 37 Ca -0.05 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.73 1lkj h ARG 37 Cb 1.38 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1lkj h ARG 37 CO 0.15 0.40 -1.19 1.03 -1.07 0.00 0.00 179.97 179.28 1lkj h SER 38 N 0.04 0.33 0.50 7.04 0.87 -1.16 -3.25 113.55 117.92 1lkj h SER 38 Ca 0.00 -0.36 -0.07 0.00 -1.23 0.00 0.00 61.79 60.14 1lkj h SER 38 Cb 0.65 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1lkj h SER 38 CO 0.05 1.28 -0.33 -0.07 -0.53 0.00 0.00 176.83 177.23 1lkj h LEU 39 N 0.06 0.00 0.00 2.23 3.38 -1.18 -3.46 115.31 116.34 1lkj h LEU 39 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1lkj h LEU 39 Cb 1.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1lkj h LEU 39 CO 0.19 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.66 1lkj n GLY 40 N -0.31 0.71 3.60 0.83 0.00 -1.01 -5.11 105.19 103.91 1lkj n GLY 40 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 2.12 -0.41 0.99 1.43 -0.08 -5.01 118.68 117.72 1lkj s LEU 41 Ca 0.00 -1.66 0.03 0.00 -1.03 0.00 0.00 54.13 51.47 1lkj s LEU 41 Cb 0.00 -0.34 0.27 0.00 0.03 0.00 0.00 46.19 46.15 1lkj s LEU 41 CO 0.00 -0.89 1.10 -1.54 0.23 0.00 0.00 176.35 175.25 1lkj n SER 42 N -1.28 -2.10 -4.75 2.29 3.41 -1.26 -4.28 113.62 105.65 1lkj n SER 42 Ca -0.10 -2.70 -0.41 0.00 -0.26 0.00 0.00 58.87 55.40 1lkj n SER 42 Cb 0.66 1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 65.98 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 0.36 4.56 1.20 4.33 0.04 -1.26 -5.02 135.00 139.21 1lkj s PRO 43 Ca 0.27 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 1lkj s PRO 43 Cb 0.24 -3.21 0.28 0.00 0.04 0.00 0.00 34.50 31.85 1lkj s PRO 43 CO -0.16 0.06 1.05 -1.12 0.04 0.00 0.00 177.00 176.87 1lkj s SER 44 N -0.37 0.87 0.54 6.66 0.01 -1.26 -4.64 113.70 115.51 1lkj s SER 44 Ca 0.48 0.98 0.21 0.00 1.31 0.00 0.00 55.95 58.93 1lkj s SER 44 Cb -0.32 -1.47 1.45 0.00 0.21 0.00 0.00 66.02 65.89 1lkj s SER 44 CO 0.39 -4.20 2.17 -0.08 0.41 0.00 0.00 173.24 171.93 1lkj h GLU 45 N -2.62 0.00 -0.24 12.44 4.81 -1.99 -1.68 114.58 125.30 1lkj h GLU 45 Ca -0.51 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.56 1lkj h GLU 45 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1lkj h GLU 45 CO 0.42 0.00 -0.47 0.00 -0.73 0.00 0.00 179.01 178.24 1lkj h ALA 46 N 1.97 0.38 -0.28 2.92 0.00 -2.00 -2.14 119.26 120.11 1lkj h ALA 46 Ca 0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1lkj h ALA 46 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1lkj h ALA 46 CO -0.00 0.53 -0.33 0.93 0.00 0.00 0.00 179.25 180.38 1lkj h GLU 47 N 0.47 0.61 -0.47 0.00 5.08 -1.67 -2.63 114.58 115.97 1lkj h GLU 47 Ca 0.01 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 57.97 1lkj h GLU 47 Cb 1.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1lkj h GLU 47 CO 0.10 0.86 -0.21 0.28 -1.00 0.00 0.00 179.01 179.04 1lkj h VAL 48 N 0.51 1.27 -0.77 3.13 2.07 -1.30 -2.73 116.25 118.44 1lkj h VAL 48 Ca 0.06 -1.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 1lkj h VAL 48 Cb 0.82 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1lkj h VAL 48 CO 0.07 0.47 0.25 -1.13 0.02 0.00 0.00 177.57 177.25 1lkj h ASN 49 N 0.83 1.10 -0.27 0.57 -1.24 -1.25 -1.27 115.58 114.05 1lkj h ASN 49 Ca 0.11 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.91 1lkj h ASN 49 Cb 0.78 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1lkj h ASN 49 CO 0.06 1.01 0.15 0.44 -1.29 0.00 0.00 177.43 177.80 1lkj h ASP 50 N 1.13 0.33 -0.25 1.15 5.19 -1.32 0.36 116.42 123.01 1lkj h ASP 50 Ca 0.25 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 1lkj h ASP 50 Cb 0.29 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1lkj h ASP 50 CO -0.01 0.32 0.10 -0.07 -3.12 0.00 0.00 179.24 176.46 1lkj h LEU 51 N 0.32 0.35 -1.43 1.55 3.38 -1.28 -2.34 115.31 115.86 1lkj h LEU 51 Ca 0.10 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1lkj h LEU 51 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1lkj h LEU 51 CO -0.02 0.42 -0.28 0.24 0.09 0.00 0.00 178.44 178.89 1lkj h MET 52 N 0.25 0.00 -0.35 1.13 2.86 -1.05 -2.03 114.93 115.74 1lkj h MET 52 Ca 0.08 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 1lkj h MET 52 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1lkj h MET 52 CO -0.01 0.28 -0.19 -0.91 1.06 0.00 0.00 176.91 177.15 1lkj h ASN 53 N 0.00 0.65 0.94 1.22 4.21 0.22 0.70 115.58 123.52 1lkj h ASN 53 Ca -0.00 -0.21 -0.21 0.00 1.21 0.00 0.00 56.30 57.09 1lkj h ASN 53 Cb 0.56 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.56 1lkj h ASN 53 CO 0.04 0.85 -0.99 -0.08 -1.29 0.00 0.00 177.43 175.96 1lkj h GLU 54 N 0.58 0.02 0.00 0.81 4.57 -1.03 -3.39 114.58 116.15 1lkj h GLU 54 Ca 0.09 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1lkj h GLU 54 Cb 0.65 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 1lkj h GLU 54 CO 0.05 0.99 -0.24 0.82 -1.18 0.00 0.00 179.01 179.44 1lkj h ILE 55 N 0.01 0.00 -2.00 2.32 2.04 -1.16 -3.44 117.51 115.27 1lkj h ILE 55 Ca -0.02 -0.56 -0.57 0.00 1.00 0.00 0.00 64.86 64.71 1lkj h ILE 55 Cb 1.73 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1lkj h ILE 55 CO 0.13 0.00 1.49 -0.62 0.00 0.00 0.00 178.15 179.15 1lkj s ASP 56 N -4.70 5.35 -0.27 1.72 2.15 0.24 -4.81 116.67 116.36 1lkj s ASP 56 Ca -0.07 1.71 -0.14 0.00 0.43 0.00 0.00 52.55 54.48 1lkj s ASP 56 Cb 0.01 -2.51 -0.11 0.00 -0.30 0.00 0.00 42.92 40.00 1lkj s ASP 56 CO 0.10 -2.07 -0.36 0.52 -0.17 0.00 0.00 175.17 173.19 1lkj n VAL 57 N 7.76 1.52 -1.33 1.11 0.31 -1.26 -4.61 118.33 121.82 1lkj n VAL 57 Ca 0.30 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1lkj n VAL 57 Cb 0.47 -1.91 0.21 0.00 -0.91 0.00 0.00 33.84 31.69 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 -4.26 2.72 0.00 4.52 2.03 -1.26 -4.92 116.55 115.38 1lkj n ASP 58 Ca -0.51 -3.57 0.00 0.00 0.52 0.00 0.00 54.79 51.23 1lkj n ASP 58 Cb 0.86 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1lkj n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkj n GLY 59 N -1.01 2.90 3.25 0.27 0.00 -1.26 -5.00 105.19 104.34 1lkj n GLY 59 Ca 0.28 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1lkj n GLY 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lkj s ASN 60 N 0.51 2.91 -0.29 1.61 3.84 -1.26 -4.99 114.94 117.27 1lkj s ASN 60 Ca 0.00 -0.48 -0.15 0.00 0.21 0.00 0.00 52.86 52.44 1lkj s ASN 60 Cb 0.00 -0.72 0.14 0.00 -0.55 0.00 0.00 41.25 40.12 1lkj s ASN 60 CO 0.00 0.24 0.93 -2.28 -2.79 0.00 0.00 177.10 173.20 1lkj s HIS 61 N -0.20 -0.70 -0.27 0.43 2.46 -1.26 -4.48 115.29 111.26 1lkj s HIS 61 Ca -0.01 1.33 -0.14 0.00 0.47 0.00 0.00 55.06 56.70 1lkj s HIS 61 Cb -0.13 0.42 -0.04 0.00 -0.13 0.00 0.00 32.58 32.70 1lkj s HIS 61 CO 0.03 -0.35 0.33 -0.65 -2.47 0.00 0.00 174.74 171.63 1lkj s GLN 62 N 1.81 4.01 0.09 2.88 -0.21 -1.26 -3.86 119.66 123.11 1lkj s GLN 62 Ca -0.07 -0.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 1lkj s GLN 62 Cb -0.05 -3.64 -0.05 0.00 1.00 0.00 0.00 33.01 30.26 1lkj s GLN 62 CO -0.16 -0.23 0.96 0.42 -2.12 0.00 0.00 175.29 174.16 1lkj s ILE 63 N 1.92 4.58 0.37 1.08 1.01 0.11 -4.78 121.20 125.48 1lkj s ILE 63 Ca 0.13 2.07 -0.00 0.00 0.00 0.00 0.00 60.65 62.85 1lkj s ILE 63 Cb -0.16 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 1lkj s ILE 63 CO 0.10 0.28 0.58 -1.61 0.00 0.00 0.00 174.94 174.29 1lkj s GLU 64 N 0.21 3.48 0.36 2.79 8.01 -1.26 -1.66 118.70 130.64 1lkj s GLU 64 Ca 0.48 -0.28 0.07 0.00 0.01 0.00 0.00 54.97 55.25 1lkj s GLU 64 Cb -0.23 -2.62 0.76 0.00 -4.31 0.00 0.00 34.13 27.73 1lkj s GLU 64 CO 0.29 0.09 1.94 0.35 0.01 0.00 0.00 175.26 177.95 1lkj h PHE 65 N 0.68 0.77 0.52 1.61 3.57 -1.96 0.64 116.94 122.76 1lkj h PHE 65 Ca -0.49 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1lkj h PHE 65 Cb 1.22 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.71 1lkj h PHE 65 CO 0.52 0.39 -0.25 0.66 -2.23 0.00 0.00 178.31 177.39 1lkj h SER 66 N 0.74 -0.59 0.19 0.41 4.64 -1.93 -0.46 113.55 116.53 1lkj h SER 66 Ca 0.33 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 1lkj h SER 66 Cb 0.34 0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1lkj h SER 66 CO -0.12 -0.33 -0.16 -0.33 -0.87 0.00 0.00 176.83 175.01 1lkj h GLU 67 N -0.83 0.00 -0.11 4.77 4.39 -1.86 -2.62 114.58 118.32 1lkj h GLU 67 Ca -0.07 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1lkj h GLU 67 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1lkj h GLU 67 CO 0.12 0.16 -0.06 0.35 -1.16 0.00 0.00 179.01 178.42 1lkj h PHE 68 N 0.00 0.27 -0.79 4.33 3.57 -0.58 -1.86 116.94 121.88 1lkj h PHE 68 Ca -0.00 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.44 1lkj h PHE 68 Cb 0.30 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1lkj h PHE 68 CO 0.00 0.60 0.52 -0.07 -2.23 0.00 0.00 178.31 177.13 1lkj h LEU 69 N -0.13 0.89 -0.25 0.59 3.38 -0.81 -0.82 115.31 118.15 1lkj h LEU 69 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1lkj h LEU 69 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1lkj h LEU 69 CO 0.02 0.63 -0.06 0.00 0.09 0.00 0.00 178.44 179.12 1lkj h ALA 70 N 1.52 0.35 -0.69 1.53 0.00 -1.38 -2.15 119.26 118.43 1lkj h ALA 70 Ca 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1lkj h ALA 70 Cb -0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1lkj h ALA 70 CO -0.07 0.15 0.34 -0.07 0.00 0.00 0.00 179.25 179.59 1lkj h LEU 71 N 0.23 0.89 -0.93 0.00 3.38 -0.86 -2.47 115.31 115.55 1lkj h LEU 71 Ca 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1lkj h LEU 71 Cb 0.52 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1lkj h LEU 71 CO 0.02 0.76 0.42 0.24 0.09 0.00 0.00 178.44 179.97 1lkj h MET 72 N 0.95 1.18 -0.79 1.13 2.86 -1.08 -2.05 114.93 117.13 1lkj h MET 72 Ca 0.24 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1lkj h MET 72 Cb 0.10 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1lkj h MET 72 CO -0.03 0.89 0.48 0.77 1.06 0.00 0.00 176.91 180.08 1lkj h SER 73 N 1.17 0.94 0.28 1.22 0.02 -0.95 0.28 113.55 116.51 1lkj h SER 73 Ca 0.29 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1lkj h SER 73 Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1lkj h SER 73 CO -0.04 0.72 -0.35 0.03 -1.14 0.00 0.00 176.83 176.05 1lkj h ARG 74 N 1.07 0.11 0.11 3.45 3.08 -1.08 -2.16 114.38 118.96 1lkj h ARG 74 Ca 0.28 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.13 1lkj h ARG 74 Cb -0.05 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.01 1lkj h ARG 74 CO -0.05 0.45 -0.70 1.96 -1.07 0.00 0.00 179.97 180.56 1lkj h GLN 75 N 0.10 0.28 0.00 0.04 1.08 -0.66 -3.26 115.11 112.69 1lkj h GLN 75 Ca 0.01 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1lkj h GLN 75 Cb 0.67 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1lkj h GLN 75 CO 0.05 1.19 -0.05 -0.07 -0.95 0.00 0.00 178.83 179.00 1lkj h LEU 76 N -0.40 0.00 -8.71 1.46 3.38 -0.43 -3.38 115.31 107.24 1lkj h LEU 76 Ca -0.12 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.20 1lkj h LEU 76 Cb 1.52 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.12 1lkj h LEU 76 CO 0.13 0.05 -0.03 -0.75 0.09 0.00 0.00 178.44 177.94 1lkj s LYS 77 N -4.75 3.51 0.00 1.13 2.36 -0.82 -4.99 119.74 116.19 1lkj s LYS 77 Ca -0.05 -0.25 0.00 0.00 -2.55 0.00 0.00 55.97 53.13 1lkj s LYS 77 Cb 0.16 -3.85 0.00 0.00 -1.05 0.00 0.00 37.83 33.09 1lkj s LYS 77 CO 0.63 -0.73 0.66 -1.13 1.55 0.00 0.00 175.35 176.33 1lkj n SER 78 N 5.83 0.00 -3.43 1.43 3.41 -1.26 -4.86 113.62 114.73 1lkj n SER 78 Ca -0.04 0.70 0.01 0.00 -0.26 0.00 0.00 58.87 59.28 1lkj n SER 78 Cb 0.49 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 1lkj n SER 78 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1lkj s ASN 79 N -2.02 -0.70 -0.44 4.04 2.47 -1.26 -5.06 114.94 111.96 1lkj s ASN 79 Ca 0.00 0.92 0.07 0.00 0.42 0.00 0.00 52.86 54.27 1lkj s ASN 79 Cb 0.00 1.78 0.24 0.00 -1.45 0.00 0.00 41.25 41.82 1lkj s ASN 79 CO 0.00 -0.13 0.69 -0.90 -3.72 0.00 0.00 177.10 173.04 1lkj n ASP 80 N 5.10 -1.50 0.26 -4.21 5.75 -1.26 -4.96 116.55 115.73 1lkj n ASP 80 Ca -0.09 -2.97 0.14 0.00 -0.01 0.00 0.00 54.79 51.86 1lkj n ASP 80 Cb 0.52 0.65 0.63 0.00 -1.03 0.00 0.00 41.12 41.89 1lkj n ASP 80 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1lkj h SER 81 N 4.15 0.00 -0.03 -1.12 0.87 -2.00 -3.14 113.55 112.28 1lkj h SER 81 Ca -0.02 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1lkj h SER 81 Cb 0.96 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1lkj h SER 81 CO 0.37 0.11 -0.06 -0.08 -0.53 0.00 0.00 176.83 176.64 1lkj h GLU 82 N 0.00 -0.08 -0.77 2.24 4.81 -1.86 -1.76 114.58 117.15 1lkj h GLU 82 Ca -0.00 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 1lkj h GLU 82 Cb 0.55 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.85 1lkj h GLU 82 CO 0.01 -0.06 0.34 1.96 -0.73 0.00 0.00 179.01 180.54 1lkj h GLN 83 N -0.09 0.48 -0.51 1.92 1.08 -1.94 0.23 115.11 116.29 1lkj h GLN 83 Ca 0.03 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1lkj h GLN 83 Cb 0.13 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1lkj h GLN 83 CO -0.08 0.32 0.16 0.93 -0.95 0.00 0.00 178.83 179.21 1lkj h GLU 84 N 0.50 0.79 -0.40 1.46 4.39 -1.57 -2.32 114.58 117.41 1lkj h GLU 84 Ca 0.42 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.85 1lkj h GLU 84 Cb 0.61 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1lkj h GLU 84 CO -0.38 0.73 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.97 1lkj h LEU 85 N 0.69 0.75 -1.42 1.33 3.38 -0.30 -2.60 115.31 117.14 1lkj h LEU 85 Ca 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1lkj h LEU 85 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1lkj h LEU 85 CO -0.01 0.91 -0.02 -0.07 0.09 0.00 0.00 178.44 179.35 1lkj h LEU 86 N 0.67 0.33 -0.08 1.67 3.38 -0.33 -1.38 115.31 119.57 1lkj h LEU 86 Ca 0.11 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1lkj h LEU 86 Cb 0.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1lkj h LEU 86 CO 0.04 0.41 -0.24 -0.33 0.09 0.00 0.00 178.44 178.41 1lkj h GLU 87 N 0.35 0.31 -0.40 1.13 4.39 -1.09 -2.38 114.58 116.88 1lkj h GLU 87 Ca 0.08 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1lkj h GLU 87 Cb 0.27 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1lkj h GLU 87 CO 0.01 0.84 0.19 0.00 -1.16 0.00 0.00 179.01 178.89 1lkj h ALA 88 N 0.47 0.52 -0.50 3.43 0.00 -1.26 -2.48 119.26 119.44 1lkj h ALA 88 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1lkj h ALA 88 Cb 0.86 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1lkj h ALA 88 CO 0.05 0.08 0.22 0.74 0.00 0.00 0.00 179.25 180.34 1lkj h PHE 89 N 0.51 0.70 -0.56 0.00 0.04 -1.31 -2.40 116.94 113.93 1lkj h PHE 89 Ca 0.14 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 1lkj h PHE 89 Cb 0.12 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 1lkj h PHE 89 CO -0.01 0.54 0.24 -0.22 -0.60 0.00 0.00 178.31 178.25 1lkj h LYS 90 N 0.71 0.83 -0.14 1.51 3.64 -0.99 -1.71 116.57 120.41 1lkj h LYS 90 Ca 0.17 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1lkj h LYS 90 Cb 0.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1lkj h LYS 90 CO -0.02 0.70 -0.21 0.28 -2.27 0.00 0.00 179.45 177.94 1lkj h VAL 91 N 0.76 1.22 0.00 2.00 2.07 -1.06 -2.32 116.25 118.92 1lkj h VAL 91 Ca 0.19 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 1lkj h VAL 91 Cb 0.17 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1lkj h VAL 91 CO -0.02 0.30 -0.54 -0.26 0.02 0.00 0.00 177.57 177.08 1lkj h PHE 92 N 0.22 0.00 0.00 1.57 -1.00 -0.96 -3.05 116.94 113.72 1lkj h PHE 92 Ca 0.04 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.67 1lkj h PHE 92 Cb 0.50 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.04 1lkj h PHE 92 CO 0.01 0.54 -0.69 0.22 -1.61 0.00 0.00 178.31 176.77 1lkj h ASP 93 N 0.00 0.00 0.00 2.17 1.82 -0.78 -3.46 116.42 116.17 1lkj h ASP 93 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1lkj h ASP 93 Cb 1.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1lkj h ASP 93 CO 0.07 0.69 0.00 1.17 -1.61 0.00 0.00 179.24 179.56 1lkj n LYS 94 N -3.67 0.00 -0.30 0.28 3.00 -1.06 -4.02 118.16 112.40 1lkj n LYS 94 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.42 1lkj n LYS 94 Cb 0.69 0.00 0.35 0.00 0.00 0.00 0.00 35.03 36.07 1lkj n LYS 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1lkj h ASN 95 N 0.00 0.71 -0.49 3.14 -0.73 -1.90 -3.46 115.58 112.86 1lkj h ASN 95 Ca 0.00 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.22 1lkj h ASN 95 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.50 1lkj h ASN 95 CO 0.00 0.34 0.00 0.61 -0.37 0.00 0.00 177.43 178.01 1lkj n GLY 96 N -1.41 0.83 0.07 1.57 0.00 -1.26 -5.01 105.19 99.98 1lkj n GLY 96 Ca 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 1lkj n GLY 96 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lkj n ASP 97 N 0.27 1.12 -0.05 1.61 -0.08 -1.26 -5.01 116.55 113.15 1lkj n ASP 97 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1lkj n ASP 97 Cb 0.19 1.03 0.00 0.00 2.34 0.00 0.00 41.12 44.68 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1lkj n GLY 98 N 1.95 1.35 2.96 0.27 0.00 -1.26 -5.07 105.19 105.38 1lkj n GLY 98 Ca -0.22 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.09 1.04 0.09 0.99 1.43 -1.26 -3.21 118.68 117.67 1lkj s LEU 99 Ca 0.00 0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 1lkj s LEU 99 Cb 0.00 0.39 -0.01 0.00 0.03 0.00 0.00 46.19 46.61 1lkj s LEU 99 CO 0.00 -0.11 0.17 0.27 0.23 0.00 0.00 176.35 176.92 1lkj s ILE 100 N 0.73 0.15 0.63 -0.59 -4.36 -0.82 -4.85 121.20 112.08 1lkj s ILE 100 Ca -0.05 -1.25 -0.11 0.00 -0.26 0.00 0.00 60.65 58.98 1lkj s ILE 100 Cb -0.07 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.23 1lkj s ILE 100 CO -0.04 -0.67 1.04 -0.44 0.24 0.00 0.00 174.94 175.07 1lkj s SER 101 N -2.87 6.13 0.57 4.36 0.01 -1.26 -1.55 113.70 119.09 1lkj s SER 101 Ca 0.06 1.41 0.29 0.00 1.31 0.00 0.00 55.95 59.01 1lkj s SER 101 Cb 0.05 -2.43 1.47 0.00 0.21 0.00 0.00 66.02 65.32 1lkj s SER 101 CO -0.10 -0.93 1.90 0.00 0.41 0.00 0.00 173.24 174.52 1lkj h ALA 102 N -0.36 2.39 0.11 1.44 0.00 -1.95 -1.07 119.26 119.81 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 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1lkj h ALA 102 CO 0.62 -0.81 -0.05 0.00 0.00 0.00 0.00 179.25 179.01 1lkj h ALA 103 N 1.51 -0.15 -0.62 0.00 0.00 -1.96 -1.05 119.26 117.00 1lkj h ALA 103 Ca 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1lkj h ALA 103 Cb 1.30 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1lkj h ALA 103 CO -0.00 -0.37 0.23 0.93 0.00 0.00 0.00 179.25 180.03 1lkj h GLU 104 N -0.56 0.91 -0.57 0.00 5.08 -1.59 -2.12 114.58 115.73 1lkj h GLU 104 Ca -0.01 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1lkj h GLU 104 Cb 0.45 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1lkj h GLU 104 CO 0.02 0.76 -0.03 1.25 -1.00 0.00 0.00 179.01 180.02 1lkj h LEU 105 N 0.89 0.99 -0.67 1.33 5.85 -1.27 -2.22 115.31 120.21 1lkj h LEU 105 Ca 0.21 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1lkj h LEU 105 Cb 0.21 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1lkj h LEU 105 CO -0.02 1.06 0.08 0.50 -0.34 0.00 0.00 178.44 179.72 1lkj h LYS 106 N 0.91 1.11 -0.10 1.25 3.64 -0.75 -2.22 116.57 120.41 1lkj h LYS 106 Ca 0.16 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 1lkj h LYS 106 Cb 0.57 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1lkj h LYS 106 CO 0.03 1.03 -0.33 1.25 -2.27 0.00 0.00 179.45 179.17 1lkj h HIS 107 N 1.03 0.21 -0.23 1.91 2.76 -1.21 -2.37 115.15 117.25 1lkj h HIS 107 Ca 0.20 -0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 1lkj h HIS 107 Cb 0.48 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 1lkj h HIS 107 CO 0.04 0.50 -0.35 0.28 -1.30 0.00 0.00 177.93 177.10 1lkj h VAL 108 N 0.17 1.32 0.00 5.26 2.07 -1.05 -1.25 116.25 122.77 1lkj h VAL 108 Ca 0.02 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 1lkj h VAL 108 Cb 0.66 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1lkj h VAL 108 CO 0.05 0.49 -0.32 -0.07 0.02 0.00 0.00 177.57 177.74 1lkj h LEU 109 N 0.34 0.00 0.11 2.57 4.07 -1.27 -2.20 115.31 118.93 1lkj h LEU 109 Ca 0.02 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.77 1lkj h LEU 109 Cb 0.93 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.70 1lkj h LEU 109 CO 0.08 0.32 -0.90 0.74 -1.08 0.00 0.00 178.44 177.59 1lkj h THR 110 N 0.00 1.43 -0.55 0.22 2.02 -1.32 -3.12 112.91 111.58 1lkj h THR 110 Ca -0.00 -2.41 -0.01 0.00 0.77 0.00 0.00 66.41 64.75 1lkj h THR 110 Cb 0.56 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.88 1lkj h THR 110 CO 0.04 0.70 0.31 -1.28 0.37 0.00 0.00 175.52 175.66 1lkj h SER 111 N -0.13 0.68 0.17 4.18 0.87 -1.10 -1.69 113.55 116.53 1lkj h SER 111 Ca -0.14 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1lkj h SER 111 Cb 1.66 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.44 1lkj h SER 111 CO 0.17 0.57 -0.06 0.40 -0.53 0.00 0.00 176.83 177.38 1lkj h ILE 112 N 0.73 0.56 -2.27 2.23 2.04 -1.50 -3.46 117.51 115.85 1lkj h ILE 112 Ca 0.19 -0.26 -0.15 0.00 1.00 0.00 0.00 64.86 65.64 1lkj h ILE 112 Cb 0.04 1.17 0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1lkj h ILE 112 CO -0.03 0.06 -0.24 0.61 0.00 0.00 0.00 178.15 178.55 1lkj n GLY 113 N -1.02 0.28 3.46 5.37 0.00 -0.64 -5.00 105.19 107.63 1lkj n GLY 113 Ca -0.02 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.31 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 -5.14 -1.23 -0.49 1.61 0.41 -1.21 -4.87 118.70 107.79 1lkj s GLU 114 Ca 0.15 0.84 -0.03 0.00 -0.41 0.00 0.00 54.97 55.52 1lkj s GLU 114 Cb -0.07 -1.52 0.15 0.00 -1.78 0.00 0.00 34.13 30.91 1lkj s GLU 114 CO 0.18 -3.93 2.51 1.17 -0.49 0.00 0.00 175.26 174.70 1lkj n LYS 115 N -5.07 2.35 -4.37 1.61 3.00 -1.26 -4.92 118.16 109.51 1lkj n LYS 115 Ca 0.02 -2.40 -0.20 0.00 -0.00 0.00 0.00 58.31 55.73 1lkj n LYS 115 Cb 0.54 -2.07 -0.10 0.00 0.00 0.00 0.00 35.03 33.40 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1lkj s LEU 116 N -2.44 2.55 0.00 3.14 1.43 -1.26 -5.12 118.68 116.98 1lkj s LEU 116 Ca 0.53 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1lkj s LEU 116 Cb 0.37 -0.80 -0.00 0.00 0.03 0.00 0.00 46.19 45.79 1lkj s LEU 116 CO -0.20 -0.10 0.01 0.35 0.23 0.00 0.00 176.35 176.64 1lkj n THR 117 N -0.34 0.00 -0.18 5.49 -2.24 -1.26 -4.98 114.28 110.77 1lkj n THR 117 Ca -0.08 -0.43 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 1lkj n THR 117 Cb 0.60 0.10 0.20 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.24 0.84 -0.59 3.42 1.82 -2.01 -1.67 116.42 118.47 1lkj h ASP 118 Ca -0.07 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1lkj h ASP 118 Cb 0.23 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 1lkj h ASP 118 CO 0.12 0.72 0.30 0.00 -1.61 0.00 0.00 179.24 178.77 1lkj h ALA 119 N 1.41 0.76 -0.03 -0.78 0.00 -1.98 0.31 119.26 118.95 1lkj h ALA 119 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1lkj h ALA 119 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1lkj h ALA 119 CO -0.03 0.30 -0.00 0.93 0.00 0.00 0.00 179.25 180.45 1lkj h GLU 120 N 0.80 0.06 0.00 0.00 4.39 -1.85 -1.97 114.58 116.01 1lkj h GLU 120 Ca 0.20 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 1lkj h GLU 120 Cb 0.09 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1lkj h GLU 120 CO -0.03 0.38 -0.23 0.28 -1.16 0.00 0.00 179.01 178.26 1lkj h VAL 121 N -0.27 1.06 -0.33 3.13 2.07 -1.19 -2.01 116.25 118.71 1lkj h VAL 121 Ca 0.01 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 1lkj h VAL 121 Cb 0.36 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1lkj h VAL 121 CO 0.00 0.22 -0.29 -0.78 0.02 0.00 0.00 177.57 176.74 1lkj h ASP 122 N 0.00 0.82 0.46 0.57 3.58 -0.17 -0.89 116.42 120.80 1lkj h ASP 122 Ca -0.00 -0.46 -0.12 0.00 0.42 0.00 0.00 57.03 56.87 1lkj h ASP 122 Cb 0.43 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1lkj h ASP 122 CO 0.03 1.11 -0.53 -0.78 -2.88 0.00 0.00 179.24 176.19 1lkj h ASP 123 N 0.54 0.08 0.11 2.28 1.82 -1.02 -2.55 116.42 117.69 1lkj h ASP 123 Ca 0.06 -0.04 -0.25 0.00 -0.39 0.00 0.00 57.03 56.41 1lkj h ASP 123 Cb 0.87 -0.02 0.01 0.00 0.68 0.00 0.00 39.33 40.87 1lkj h ASP 123 CO 0.07 0.59 -0.99 0.24 -1.61 0.00 0.00 179.24 177.55 1lkj h MET 124 N 0.06 0.60 -0.31 0.28 2.86 -1.25 -2.97 114.93 114.21 1lkj h MET 124 Ca -0.00 -0.64 -0.09 0.00 -2.06 0.00 0.00 59.70 56.91 1lkj h MET 124 Cb 0.95 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1lkj h MET 124 CO 0.07 1.24 -0.19 -0.07 1.06 0.00 0.00 176.91 179.03 1lkj h LEU 125 N 0.35 0.56 -0.44 1.22 3.38 -1.08 0.29 115.31 119.58 1lkj h LEU 125 Ca -0.11 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1lkj h LEU 125 Cb 1.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1lkj h LEU 125 CO 0.19 0.76 -0.08 -0.09 0.09 0.00 0.00 178.44 179.31 1lkj h ARG 126 N 0.51 0.83 0.00 1.13 2.43 -1.47 0.83 114.38 118.63 1lkj h ARG 126 Ca 0.08 -0.30 -0.21 0.00 -0.81 0.00 0.00 59.98 58.74 1lkj h ARG 126 Cb 0.61 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1lkj h ARG 126 CO 0.04 0.93 -1.01 1.49 -1.51 0.00 0.00 179.97 179.91 1lkj h GLU 127 N 0.66 0.00 0.00 0.20 4.22 -1.35 -3.39 114.58 114.92 1lkj h GLU 127 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1lkj h GLU 127 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1lkj h GLU 127 CO 0.04 0.99 -0.38 0.28 -2.18 0.00 0.00 179.01 177.75 1lkj h VAL 128 N 0.00 0.00 -1.44 0.32 2.07 -0.34 -3.43 116.25 113.42 1lkj h VAL 128 Ca -0.01 -0.78 -0.39 0.00 0.82 0.00 0.00 66.70 66.33 1lkj h VAL 128 Cb 1.77 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1lkj h VAL 128 CO 0.13 0.00 1.22 -0.55 0.02 0.00 0.00 177.57 178.39 1lkj s SER 129 N -5.24 4.67 -0.00 0.57 0.15 0.29 -4.48 113.70 109.64 1lkj s SER 129 Ca -0.11 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1lkj s SER 129 Cb 0.02 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1lkj s SER 129 CO 0.16 -2.88 0.82 -0.90 1.20 0.00 0.00 173.24 171.65 1lkj n ASP 130 N 15.22 -0.82 0.00 5.45 5.68 -1.26 -4.63 116.55 136.18 1lkj n ASP 130 Ca 0.34 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 1lkj n ASP 130 Cb 0.51 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1lkj n GLY 131 N -0.02 0.58 0.02 6.12 0.00 -1.26 -5.03 105.19 105.59 1lkj n GLY 131 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 3.85 0.00 1.61 7.64 -1.26 -5.04 113.62 120.35 1lkj n SER 132 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1lkj n SER 132 Cb 0.00 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 3.08 2.77 3.61 0.23 0.00 -1.26 -5.10 105.19 108.52 1lkj n GLY 133 Ca -0.07 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 3.86 0.06 1.61 0.41 -1.26 -4.33 118.70 119.05 1lkj s GLU 134 Ca 0.00 0.69 -0.16 0.00 -0.41 0.00 0.00 54.97 55.09 1lkj s GLU 134 Cb 0.00 -3.82 -0.06 0.00 -1.78 0.00 0.00 34.13 28.47 1lkj s GLU 134 CO 0.00 -1.05 0.50 0.42 -0.49 0.00 0.00 175.26 174.64 1lkj s ILE 135 N 3.76 4.88 0.10 -1.63 1.01 -0.59 -4.82 121.20 123.90 1lkj s ILE 135 Ca 0.42 0.97 -0.23 0.00 0.00 0.00 0.00 60.65 61.81 1lkj s ILE 135 Cb -0.11 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 1lkj s ILE 135 CO 0.21 0.49 0.69 0.54 0.00 0.00 0.00 174.94 176.87 1lkj s ASN 136 N -1.26 7.21 0.55 3.58 4.22 -1.26 -1.94 114.94 126.04 1lkj s ASN 136 Ca 0.29 1.44 0.34 0.00 -2.14 0.00 0.00 52.86 52.79 1lkj s ASN 136 Cb -0.17 -2.44 1.53 0.00 1.28 0.00 0.00 41.25 41.45 1lkj s ASN 136 CO 0.17 0.18 2.05 0.16 -2.04 0.00 0.00 177.10 177.63 1lkj h ILE 137 N 3.62 0.17 0.28 0.54 3.07 -1.93 -3.11 117.51 120.14 1lkj h ILE 137 Ca -0.47 -0.50 -0.01 0.00 1.55 0.00 0.00 64.86 65.43 1lkj h ILE 137 Cb 1.21 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 1lkj h ILE 137 CO 0.66 0.05 -0.14 1.56 -1.05 0.00 0.00 178.15 179.23 1lkj h GLN 138 N 0.00 -0.37 -0.01 0.16 1.08 -1.92 0.56 115.11 114.60 1lkj h GLN 138 Ca -0.00 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1lkj h GLN 138 Cb 0.42 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1lkj h GLN 138 CO 0.01 -0.25 0.00 1.96 -0.95 0.00 0.00 178.83 179.60 1lkj h GLN 139 N -0.39 0.01 -0.40 1.46 1.08 -1.96 -1.23 115.11 113.69 1lkj h GLN 139 Ca -0.04 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1lkj h GLN 139 Cb 0.30 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1lkj h GLN 139 CO 0.06 0.17 0.24 0.35 -0.95 0.00 0.00 178.83 178.70 1lkj h PHE 140 N -0.15 0.53 -0.17 2.96 3.04 -1.52 0.65 116.94 122.28 1lkj h PHE 140 Ca 0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1lkj h PHE 140 Cb 0.17 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1lkj h PHE 140 CO -0.02 0.38 0.07 0.00 -2.02 0.00 0.00 178.31 176.71 1lkj h ALA 141 N 1.10 1.80 0.07 2.41 0.00 0.22 -2.01 119.26 122.86 1lkj h ALA 141 Ca 0.14 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 1lkj h ALA 141 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1lkj h ALA 141 CO -0.03 0.16 -1.13 0.00 0.00 0.00 0.00 179.25 178.25 1lkj h ALA 142 N 1.85 0.21 -0.85 0.00 0.00 -0.50 -2.99 119.26 116.97 1lkj h ALA 142 Ca 0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 1lkj h ALA 142 Cb 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1lkj h ALA 142 CO -0.01 1.10 0.41 -0.07 0.00 0.00 0.00 179.25 180.68 1lkj h LEU 143 N 0.04 1.11 0.07 0.00 3.38 -0.16 -3.30 115.31 116.45 1lkj h LEU 143 Ca -0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1lkj h LEU 143 Cb 1.88 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1lkj h LEU 143 CO 0.17 0.94 -0.03 -0.07 0.09 0.00 0.00 178.44 179.53 1lkj h LEU 144 N 1.21 -0.08 0.00 1.67 3.38 -1.54 -3.45 115.31 116.50 1lkj h LEU 144 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1lkj h LEU 144 Cb 0.12 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1lkj h LEU 144 CO -0.04 0.02 0.00 -0.24 0.09 0.00 0.00 178.44 178.28 1lkj n SER 145 N -2.67 0.00 -0.34 -0.43 2.88 -1.13 -5.07 113.62 106.85 1lkj n SER 145 Ca -0.01 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.67 1lkj n SER 145 Cb 0.04 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.14 1lkj n SER 145 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98