#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 -1.17 -4.58 6.43 7.64 -1.26 -5.10 113.62 115.58 1lkj n SER 2 Ca 0.00 -1.91 -0.40 0.00 1.01 0.00 0.00 58.87 57.57 1lkj n SER 2 Cb 0.00 0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1lkj n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1lkj s ASN 3 N -0.75 5.13 0.10 6.43 2.47 -1.26 -4.90 114.94 122.16 1lkj s ASN 3 Ca 0.09 1.44 -0.31 0.00 0.42 0.00 0.00 52.86 54.50 1lkj s ASN 3 Cb 0.28 -2.51 -0.09 0.00 -1.45 0.00 0.00 41.25 37.48 1lkj s ASN 3 CO -0.08 -2.29 1.70 -0.76 -3.72 0.00 0.00 177.10 171.95 1lkj s LEU 4 N 9.58 4.38 0.82 3.21 1.43 -1.26 -4.97 118.68 131.87 1lkj s LEU 4 Ca 0.95 2.60 -0.11 0.00 -1.03 0.00 0.00 54.13 56.54 1lkj s LEU 4 Cb -0.25 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.49 1lkj s LEU 4 CO 0.31 -0.92 1.09 0.42 0.23 0.00 0.00 176.35 177.49 1lkj s THR 5 N 2.41 3.04 0.16 5.49 -4.23 -1.26 -4.67 115.64 116.58 1lkj s THR 5 Ca 0.75 0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 61.43 1lkj s THR 5 Cb -0.43 -2.79 0.08 0.00 1.34 0.00 0.00 72.50 70.70 1lkj s THR 5 CO 0.33 -0.44 1.67 -0.33 -0.54 0.00 0.00 174.62 175.31 1lkj h GLU 6 N -1.31 -0.01 -0.81 3.99 5.08 -1.98 0.19 114.58 119.72 1lkj h GLU 6 Ca -0.45 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.01 1lkj h GLU 6 Cb 1.25 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 1lkj h GLU 6 CO 0.52 -0.01 0.45 1.05 -1.00 0.00 0.00 179.01 180.01 1lkj h GLU 7 N -0.01 0.70 -0.25 2.33 4.11 -1.99 0.32 114.58 119.79 1lkj h GLU 7 Ca 0.18 -0.04 -0.13 0.00 0.07 0.00 0.00 59.36 59.44 1lkj h GLU 7 Cb 0.29 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1lkj h GLU 7 CO -0.39 0.46 -0.33 1.96 0.07 0.00 0.00 179.01 180.78 1lkj h GLN 8 N 0.72 0.67 0.00 1.06 4.20 -1.54 -2.55 115.11 117.68 1lkj h GLN 8 Ca 0.41 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1lkj h GLN 8 Cb 0.43 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1lkj h GLN 8 CO -0.28 1.00 -0.29 0.82 -0.67 0.00 0.00 178.83 179.41 1lkj h ILE 9 N 0.39 1.16 -0.27 2.54 2.04 0.13 -2.67 117.51 120.83 1lkj h ILE 9 Ca 0.03 -1.02 -0.18 0.00 1.00 0.00 0.00 64.86 64.69 1lkj h ILE 9 Cb 0.92 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1lkj h ILE 9 CO 0.08 0.29 -0.56 0.00 0.00 0.00 0.00 178.15 177.96 1lkj h ALA 10 N 1.71 0.50 -0.21 1.87 0.00 -0.24 -2.51 119.26 120.38 1lkj h ALA 10 Ca -0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1lkj h ALA 10 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1lkj h ALA 10 CO 0.04 0.68 0.08 1.49 0.00 0.00 0.00 179.25 181.54 1lkj h GLU 11 N 0.62 0.32 -0.90 0.00 4.57 -1.14 -2.53 114.58 115.52 1lkj h GLU 11 Ca 0.01 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1lkj h GLU 11 Cb 1.16 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 1lkj h GLU 11 CO 0.12 0.39 0.53 0.74 -1.18 0.00 0.00 179.01 179.61 1lkj h PHE 12 N 0.18 1.21 -0.96 0.92 0.04 -1.51 -2.29 116.94 114.53 1lkj h PHE 12 Ca 0.07 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.86 1lkj h PHE 12 Cb 0.20 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 37.90 1lkj h PHE 12 CO -0.01 0.81 0.63 -0.22 -0.60 0.00 0.00 178.31 178.93 1lkj h LYS 13 N 1.25 1.21 0.14 1.51 3.64 -1.20 0.45 116.57 123.56 1lkj h LYS 13 Ca 0.32 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1lkj h LYS 13 Cb -0.03 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.52 1lkj h LYS 13 CO -0.06 0.80 -0.07 0.93 -2.27 0.00 0.00 179.45 178.79 1lkj h GLU 14 N 1.25 -0.18 0.00 1.90 4.39 -1.00 0.24 114.58 121.18 1lkj h GLU 14 Ca 0.37 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.03 1lkj h GLU 14 Cb -0.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1lkj h GLU 14 CO -0.11 -0.02 -0.29 0.00 -1.16 0.00 0.00 179.01 177.43 1lkj h ALA 15 N 0.55 1.10 0.06 3.43 0.00 -1.19 -2.39 119.26 120.81 1lkj h ALA 15 Ca -0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 1lkj h ALA 15 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1lkj h ALA 15 CO 0.03 0.36 -1.07 0.35 0.00 0.00 0.00 179.25 178.92 1lkj h PHE 16 N 0.00 0.33 0.00 0.00 3.04 0.26 -3.26 116.94 117.31 1lkj h PHE 16 Ca -0.00 -0.22 -0.15 0.00 3.98 0.00 0.00 57.97 61.58 1lkj h PHE 16 Cb 0.72 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.19 1lkj h PHE 16 CO 0.00 1.12 -0.71 0.00 -2.02 0.00 0.00 178.31 176.70 1lkj h ALA 17 N 0.80 0.67 0.00 2.41 0.00 -0.35 -3.09 119.26 119.71 1lkj h ALA 17 Ca -0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 1lkj h ALA 17 Cb 1.77 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1lkj h ALA 17 CO 0.16 0.89 -0.14 -0.07 0.00 0.00 0.00 179.25 180.10 1lkj h LEU 18 N 0.00 0.00 -3.41 0.00 3.38 -1.47 -2.53 115.31 111.28 1lkj h LEU 18 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1lkj h LEU 18 Cb 1.39 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.97 1lkj h LEU 18 CO 0.09 0.14 -0.26 0.49 0.09 0.00 0.00 178.44 178.99 1lkj n PHE 19 N -4.10 1.37 -4.50 1.13 3.01 -1.19 -5.02 117.46 108.17 1lkj n PHE 19 Ca -0.02 -1.83 -0.26 0.00 1.01 0.00 0.00 57.45 56.35 1lkj n PHE 19 Cb 0.22 -0.48 -0.10 0.00 -0.01 0.00 0.00 39.48 39.10 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 -2.86 3.92 0.00 4.37 2.15 -0.96 -4.63 116.67 118.67 1lkj s ASP 20 Ca 0.46 -1.21 0.17 0.00 0.43 0.00 0.00 52.55 52.40 1lkj s ASP 20 Cb 0.41 -0.41 0.66 0.00 -0.30 0.00 0.00 42.92 43.28 1lkj s ASP 20 CO -0.01 -0.33 1.47 0.29 -0.17 0.00 0.00 175.17 176.43 1lkj n LYS 21 N -0.92 1.59 -3.94 4.34 4.76 -1.26 -4.91 118.16 117.82 1lkj n LYS 21 Ca -0.05 -0.89 -0.31 0.00 -2.87 0.00 0.00 58.31 54.19 1lkj n LYS 21 Cb 0.65 -1.33 0.02 0.00 -1.84 0.00 0.00 35.03 32.53 1lkj n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1lkj n ASP 22 N 0.14 -4.66 0.00 4.39 2.03 -1.26 -4.80 116.55 112.40 1lkj n ASP 22 Ca 0.14 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1lkj n ASP 22 Cb 0.26 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.87 1lkj n ASP 22 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1lkj n ASN 23 N -2.82 0.37 -0.01 1.67 2.85 -1.26 -4.98 115.26 111.08 1lkj n ASN 23 Ca 0.04 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.50 1lkj n ASN 23 Cb 0.52 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.54 1lkj n ASN 23 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1lkj n ASN 24 N -2.48 2.28 0.00 1.20 4.05 -1.26 -5.07 115.26 113.99 1lkj n ASN 24 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1lkj n ASN 24 Cb 0.18 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 41.15 1lkj n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1lkj n GLY 25 N 3.18 0.94 2.99 8.20 0.00 -1.26 -5.03 105.19 114.21 1lkj n GLY 25 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.88 0.34 0.21 1.61 1.04 -1.26 -2.97 113.70 111.79 1lkj s SER 26 Ca 0.00 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.02 1lkj s SER 26 Cb 0.00 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.16 1lkj s SER 26 CO 0.00 -0.27 -0.16 0.27 0.98 0.00 0.00 173.24 174.06 1lkj s ILE 27 N -1.39 1.86 0.53 -1.02 -4.36 -0.26 -4.30 121.20 112.26 1lkj s ILE 27 Ca -0.14 -2.21 -0.13 0.00 -0.26 0.00 0.00 60.65 57.91 1lkj s ILE 27 Cb -0.10 -2.06 -0.06 0.00 1.25 0.00 0.00 42.46 41.49 1lkj s ILE 27 CO -0.01 -0.54 0.95 -0.55 0.24 0.00 0.00 174.94 175.04 1lkj s SER 28 N -3.28 6.43 0.49 4.36 0.15 -1.26 -0.11 113.70 120.49 1lkj s SER 28 Ca 0.23 1.40 0.17 0.00 0.70 0.00 0.00 55.95 58.45 1lkj s SER 28 Cb -0.02 -2.45 1.20 0.00 -1.71 0.00 0.00 66.02 63.04 1lkj s SER 28 CO 0.08 -0.66 2.07 0.28 1.20 0.00 0.00 173.24 176.21 1lkj h SER 29 N 0.45 0.00 -0.23 5.45 0.02 -1.98 -1.83 113.55 115.43 1lkj h SER 29 Ca -0.46 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 1lkj h SER 29 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1lkj h SER 29 CO 0.62 0.10 0.06 0.28 -1.14 0.00 0.00 176.83 176.75 1lkj h SER 30 N 0.00 0.43 1.18 3.07 0.02 -1.95 -2.03 113.55 114.28 1lkj h SER 30 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1lkj h SER 30 Cb 0.19 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1lkj h SER 30 CO 0.01 0.45 -0.54 -0.33 -1.14 0.00 0.00 176.83 175.29 1lkj h GLU 31 N 0.46 0.00 -0.30 3.45 5.08 -1.72 -3.36 114.58 118.18 1lkj h GLU 31 Ca 0.11 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1lkj h GLU 31 Cb 0.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1lkj h GLU 31 CO -0.00 0.00 -0.10 1.25 -1.00 0.00 0.00 179.01 179.16 1lkj h LEU 32 N 0.00 -0.34 -1.12 1.33 5.85 -0.95 0.20 115.31 120.27 1lkj h LEU 32 Ca 0.00 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1lkj h LEU 32 Cb 0.86 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1lkj h LEU 32 CO 0.00 -0.13 0.38 0.00 -0.34 0.00 0.00 178.44 178.35 1lkj h ALA 33 N 1.26 1.33 -0.34 1.25 0.00 -1.71 -2.25 119.26 118.81 1lkj h ALA 33 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1lkj h ALA 33 Cb 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1lkj h ALA 33 CO -0.33 0.54 -0.30 1.15 0.00 0.00 0.00 179.25 180.32 1lkj h THR 34 N 0.99 1.28 -0.68 0.00 2.02 -1.40 -2.51 112.91 112.61 1lkj h THR 34 Ca 0.25 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1lkj h THR 34 Cb 0.04 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1lkj h THR 34 CO -0.04 0.47 0.30 0.58 0.37 0.00 0.00 175.52 177.20 1lkj h VAL 35 N 0.61 1.23 -0.20 3.16 2.07 -0.09 -1.93 116.25 121.10 1lkj h VAL 35 Ca 0.07 -0.67 -0.15 0.00 0.82 0.00 0.00 66.70 66.77 1lkj h VAL 35 Cb 0.81 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1lkj h VAL 35 CO 0.07 0.28 -0.49 0.24 0.02 0.00 0.00 177.57 177.68 1lkj h MET 36 N 0.97 0.54 -0.52 1.57 2.86 -1.27 -0.72 114.93 118.36 1lkj h MET 36 Ca 0.23 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1lkj h MET 36 Cb 0.14 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1lkj h MET 36 CO -0.03 0.91 -0.01 0.00 1.06 0.00 0.00 176.91 178.84 1lkj h ARG 37 N 0.43 0.88 0.00 1.72 3.08 -0.99 0.50 114.38 120.00 1lkj h ARG 37 Ca 0.02 -0.26 -0.18 0.00 0.07 0.00 0.00 59.98 59.63 1lkj h ARG 37 Cb 1.01 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 1lkj h ARG 37 CO 0.09 0.88 -0.87 1.03 -1.07 0.00 0.00 179.97 180.03 1lkj h SER 38 N 0.81 0.00 1.00 7.04 0.87 -1.26 -3.21 113.55 118.80 1lkj h SER 38 Ca 0.15 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1lkj h SER 38 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1lkj h SER 38 CO 0.03 0.87 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.91 1lkj h LEU 39 N 0.00 0.00 0.00 2.23 3.38 -0.88 -3.46 115.31 116.58 1lkj h LEU 39 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lkj h LEU 39 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1lkj h LEU 39 CO 0.11 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1lkj n GLY 40 N 0.23 1.65 3.57 0.83 0.00 -0.83 -5.08 105.19 105.55 1lkj n GLY 40 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 2.42 -0.44 0.99 1.43 0.17 -5.01 118.68 118.24 1lkj s LEU 41 Ca 0.00 -1.45 0.05 0.00 -1.03 0.00 0.00 54.13 51.70 1lkj s LEU 41 Cb 0.00 -0.59 0.29 0.00 0.03 0.00 0.00 46.19 45.93 1lkj s LEU 41 CO 0.00 -0.63 1.10 -0.24 0.23 0.00 0.00 176.35 176.81 1lkj n SER 42 N -0.95 -2.29 -4.75 2.29 2.88 -1.26 -4.02 113.62 105.51 1lkj n SER 42 Ca -0.06 -3.19 -0.41 0.00 -1.33 0.00 0.00 58.87 53.88 1lkj n SER 42 Cb 0.67 1.71 -0.04 0.00 -0.75 0.00 0.00 64.21 65.79 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 4.57 1.21 -1.46 0.04 -1.26 -5.02 135.00 133.44 1lkj s PRO 43 Ca 0.25 1.85 -0.14 0.00 0.04 0.00 0.00 61.00 63.00 1lkj s PRO 43 Cb 0.27 -3.20 0.30 0.00 0.04 0.00 0.00 34.50 31.90 1lkj s PRO 43 CO -0.13 0.07 1.01 -1.12 0.04 0.00 0.00 177.00 176.87 1lkj s SER 44 N -0.46 0.61 0.54 6.66 0.01 -1.26 -4.65 113.70 115.14 1lkj s SER 44 Ca 0.48 1.42 0.21 0.00 1.31 0.00 0.00 55.95 59.37 1lkj s SER 44 Cb -0.33 -2.19 1.44 0.00 0.21 0.00 0.00 66.02 65.16 1lkj s SER 44 CO 0.40 -4.41 2.16 -0.08 0.41 0.00 0.00 173.24 171.72 1lkj h GLU 45 N -2.77 0.00 -0.32 12.44 4.57 -1.99 -2.11 114.58 124.40 1lkj h GLU 45 Ca -0.61 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.50 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 0.49 0.03 -0.08 0.00 -1.18 0.00 0.00 179.01 178.27 1lkj h ALA 46 N 1.97 0.44 -0.49 2.92 0.00 -2.00 -1.30 119.26 120.81 1lkj h ALA 46 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1lkj h ALA 46 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1lkj h ALA 46 CO 0.00 0.28 -0.13 0.93 0.00 0.00 0.00 179.25 180.34 1lkj h GLU 47 N 0.40 0.93 -0.51 0.00 4.39 -1.72 -2.42 114.58 115.65 1lkj h GLU 47 Ca 0.08 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 1lkj h GLU 47 Cb 0.57 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1lkj h GLU 47 CO 0.03 1.00 -0.05 0.28 -1.16 0.00 0.00 179.01 179.10 1lkj h VAL 48 N 0.83 1.26 -0.26 3.13 2.07 -1.32 -2.64 116.25 119.32 1lkj h VAL 48 Ca 0.13 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 1lkj h VAL 48 Cb 0.67 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1lkj h VAL 48 CO 0.05 0.40 -0.18 -1.13 0.02 0.00 0.00 177.57 176.73 1lkj h ASN 49 N 0.82 0.44 -0.14 0.57 -0.73 -1.03 -1.89 115.58 113.62 1lkj h ASN 49 Ca 0.14 -0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.16 1lkj h ASN 49 Cb 0.57 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.03 1lkj h ASN 49 CO 0.03 0.64 -0.00 0.44 -0.37 0.00 0.00 177.43 178.17 1lkj h ASP 50 N 0.41 0.25 -0.78 1.15 3.32 -1.11 -0.33 116.42 119.33 1lkj h ASP 50 Ca 0.07 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 1lkj h ASP 50 Cb 0.55 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1lkj h ASP 50 CO 0.04 0.50 0.29 -0.07 -1.72 0.00 0.00 179.24 178.27 1lkj h LEU 51 N -0.01 1.10 -1.16 1.55 4.07 -1.35 -2.12 115.31 117.38 1lkj h LEU 51 Ca 0.04 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.74 1lkj h LEU 51 Cb 0.37 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1lkj h LEU 51 CO 0.01 0.99 -0.37 0.24 -1.08 0.00 0.00 178.44 178.23 1lkj h MET 52 N 1.15 0.00 -0.41 1.13 2.86 -1.24 -2.26 114.93 116.16 1lkj h MET 52 Ca 0.26 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.74 1lkj h MET 52 Cb 0.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1lkj h MET 52 CO -0.02 0.37 -0.35 -0.91 1.06 0.00 0.00 176.91 177.06 1lkj h ASN 53 N 0.00 1.02 0.65 1.22 -0.26 -0.40 0.28 115.58 118.09 1lkj h ASN 53 Ca -0.00 -0.45 -0.16 0.00 -0.56 0.00 0.00 56.30 55.13 1lkj h ASN 53 Cb 0.76 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 1lkj h ASN 53 CO 0.05 1.25 -0.74 -0.08 -1.06 0.00 0.00 177.43 176.85 1lkj h GLU 54 N 0.79 0.07 0.00 0.81 4.81 -1.31 -3.35 114.58 116.41 1lkj h GLU 54 Ca 0.07 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1lkj h GLU 54 Cb 0.94 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1lkj h GLU 54 CO 0.09 0.78 -0.06 0.82 -0.73 0.00 0.00 179.01 179.91 1lkj h ILE 55 N 0.05 0.00 -1.80 2.32 2.04 -1.29 -3.43 117.51 115.40 1lkj h ILE 55 Ca -0.01 -0.92 -0.52 0.00 1.00 0.00 0.00 64.86 64.41 1lkj h ILE 55 Cb 1.31 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1lkj h ILE 55 CO 0.10 0.00 1.57 -0.62 0.00 0.00 0.00 178.15 179.20 1lkj s ASP 56 N -5.37 4.89 -0.07 1.72 -1.08 0.98 -4.81 116.67 112.94 1lkj s ASP 56 Ca -0.02 1.42 -0.07 0.00 -0.52 0.00 0.00 52.55 53.37 1lkj s ASP 56 Cb 0.00 -2.51 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 1lkj s ASP 56 CO 0.03 -2.47 -0.13 0.52 0.52 0.00 0.00 175.17 173.64 1lkj n VAL 57 N 7.88 0.63 -1.20 1.11 0.31 -1.26 -4.59 118.33 121.21 1lkj n VAL 57 Ca 0.33 0.36 -0.23 0.00 -0.01 0.00 0.00 64.34 64.79 1lkj n VAL 57 Cb 0.50 -1.87 0.18 0.00 -0.91 0.00 0.00 33.84 31.75 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 -3.31 3.78 0.00 4.52 2.03 -1.26 -4.91 116.55 117.38 1lkj n ASP 58 Ca -0.05 -3.58 0.00 0.00 0.52 0.00 0.00 54.79 51.68 1lkj n ASP 58 Cb 0.19 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 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 -1.10 2.69 3.76 0.27 0.00 -1.26 -4.98 105.19 104.56 1lkj n GLY 59 Ca 0.59 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1lkj n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lkj s ASN 60 N 0.00 5.86 -0.29 1.61 0.01 -1.26 -4.88 114.94 115.99 1lkj s ASN 60 Ca 0.00 0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 52.29 1lkj s ASN 60 Cb 0.00 -1.86 0.12 0.00 0.41 0.00 0.00 41.25 39.91 1lkj s ASN 60 CO 0.00 0.34 0.72 -2.28 -1.51 0.00 0.00 177.10 174.37 1lkj s HIS 61 N -0.61 -1.13 -0.16 2.20 2.46 -1.26 -4.58 115.29 112.21 1lkj s HIS 61 Ca 0.12 2.07 -0.18 0.00 0.47 0.00 0.00 55.06 57.54 1lkj s HIS 61 Cb -0.12 0.68 -0.04 0.00 -0.13 0.00 0.00 32.58 32.97 1lkj s HIS 61 CO 0.02 -0.56 0.48 -0.65 -2.47 0.00 0.00 174.74 171.56 1lkj s GLN 62 N 2.30 4.27 -0.12 2.88 -0.21 -1.26 -4.17 119.66 123.34 1lkj s GLN 62 Ca -0.07 0.40 -0.29 0.00 0.02 0.00 0.00 55.36 55.41 1lkj s GLN 62 Cb -0.08 -3.49 -0.01 0.00 1.00 0.00 0.00 33.01 30.43 1lkj s GLN 62 CO -0.19 0.03 1.02 0.42 -2.12 0.00 0.00 175.29 174.45 1lkj s ILE 63 N 1.05 4.75 0.48 1.08 1.01 0.84 -4.81 121.20 125.61 1lkj s ILE 63 Ca 0.24 2.03 -0.05 0.00 0.00 0.00 0.00 60.65 62.87 1lkj s ILE 63 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 1lkj s ILE 63 CO 0.10 -0.02 0.77 -1.61 0.00 0.00 0.00 174.94 174.18 1lkj s GLU 64 N 2.20 3.53 0.60 2.79 2.02 -1.26 -1.10 118.70 127.47 1lkj s GLU 64 Ca 0.48 0.16 0.31 0.00 0.02 0.00 0.00 54.97 55.94 1lkj s GLU 64 Cb -0.18 -2.39 1.81 0.00 0.10 0.00 0.00 34.13 33.47 1lkj s GLU 64 CO 0.16 -0.20 2.19 0.35 0.02 0.00 0.00 175.26 177.78 1lkj h PHE 65 N 0.24 0.00 0.04 1.61 3.57 -1.94 -1.23 116.94 119.24 1lkj h PHE 65 Ca -0.47 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 1lkj h PHE 65 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1lkj h PHE 65 CO 0.58 0.00 -0.02 1.03 -2.23 0.00 0.00 178.31 177.67 1lkj h SER 66 N 0.00 -0.05 0.24 0.41 0.87 -1.92 -2.36 113.55 110.75 1lkj h SER 66 Ca 0.04 -0.60 -0.06 0.00 -1.23 0.00 0.00 61.79 59.94 1lkj h SER 66 Cb 0.24 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1lkj h SER 66 CO -0.00 0.61 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.30 1lkj h GLU 67 N -0.74 0.06 -0.08 2.24 4.39 -1.83 -2.59 114.58 116.03 1lkj h GLU 67 Ca -0.01 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1lkj h GLU 67 Cb 0.64 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1lkj h GLU 67 CO 0.01 0.33 -0.08 0.35 -1.16 0.00 0.00 179.01 178.47 1lkj h PHE 68 N 0.05 0.23 -0.61 4.33 3.57 -1.27 -1.00 116.94 122.25 1lkj h PHE 68 Ca 0.01 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.44 1lkj h PHE 68 Cb 0.52 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1lkj h PHE 68 CO 0.00 0.62 0.40 -0.07 -2.23 0.00 0.00 178.31 177.04 1lkj h LEU 69 N -0.23 0.70 -0.06 0.59 3.38 -1.29 -0.57 115.31 117.84 1lkj h LEU 69 Ca 0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1lkj h LEU 69 Cb 0.58 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1lkj h LEU 69 CO 0.02 0.51 -0.18 0.00 0.09 0.00 0.00 178.44 178.89 1lkj h ALA 70 N 1.61 0.10 -0.41 1.53 0.00 -1.39 -2.46 119.26 118.24 1lkj h ALA 70 Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1lkj h ALA 70 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1lkj h ALA 70 CO -0.05 0.04 0.22 -0.07 0.00 0.00 0.00 179.25 179.39 1lkj h LEU 71 N -0.31 0.50 -0.55 0.00 3.38 -0.88 -2.00 115.31 115.45 1lkj h LEU 71 Ca -0.01 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1lkj h LEU 71 Cb 0.80 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1lkj h LEU 71 CO 0.04 0.41 -0.50 0.24 0.09 0.00 0.00 178.44 178.72 1lkj h MET 72 N 0.57 0.59 -0.57 1.13 2.86 -1.09 -2.19 114.93 116.23 1lkj h MET 72 Ca 0.15 -0.35 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1lkj h MET 72 Cb 0.03 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1lkj h MET 72 CO -0.02 0.95 0.12 1.03 1.06 0.00 0.00 176.91 180.04 1lkj h SER 73 N 0.46 0.84 0.93 1.22 0.87 -0.87 0.77 113.55 117.78 1lkj h SER 73 Ca 0.02 -0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 1lkj h SER 73 Cb 1.03 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1lkj h SER 73 CO 0.10 0.84 -0.66 0.03 -0.53 0.00 0.00 176.83 176.60 1lkj h ARG 74 N 0.86 0.00 0.00 2.24 3.08 -1.36 -3.06 114.38 116.13 1lkj h ARG 74 Ca 0.18 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.02 1lkj h ARG 74 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1lkj h ARG 74 CO 0.00 0.66 -1.47 1.96 -1.07 0.00 0.00 179.97 180.06 1lkj h GLN 75 N 0.00 0.00 0.00 0.04 1.08 -0.96 -3.33 115.11 111.94 1lkj h GLN 75 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1lkj h GLN 75 Cb 1.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1lkj h GLN 75 CO 0.09 0.40 0.00 -0.07 -0.95 0.00 0.00 178.83 178.30 1lkj h LEU 76 N 0.00 0.00 -2.60 1.46 3.38 0.53 -2.98 115.31 115.10 1lkj h LEU 76 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1lkj h LEU 76 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 1lkj h LEU 76 CO 0.06 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.88 1lkj n LYS 77 N -2.69 3.45 -0.02 1.13 -0.00 -1.16 -3.99 118.16 114.88 1lkj n LYS 77 Ca 0.03 -2.03 -0.01 0.00 -0.00 0.00 0.00 58.31 56.31 1lkj n LYS 77 Cb 0.37 -1.96 -0.04 0.00 -0.00 0.00 0.00 35.03 33.39 1lkj n LYS 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1lkj n SER 78 N 0.44 3.64 -4.68 -5.58 2.88 -1.12 -4.83 113.62 104.36 1lkj n SER 78 Ca 0.18 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.30 1lkj n SER 78 Cb 0.84 0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 65.14 1lkj n SER 78 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1lkj s ASN 79 N -3.30 6.52 -1.04 -3.46 4.22 -1.26 -3.12 114.94 113.51 1lkj s ASN 79 Ca -0.03 2.58 -0.14 0.00 -2.14 0.00 0.00 52.86 53.13 1lkj s ASN 79 Cb 0.02 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.98 1lkj s ASN 79 CO 0.23 -0.97 0.79 0.47 -2.04 0.00 0.00 177.10 175.59 1lkj n ASP 80 N 6.26 -5.86 0.19 3.54 9.92 -1.26 -4.87 116.55 124.47 1lkj n ASP 80 Ca 0.17 -0.83 0.05 0.00 -0.53 0.00 0.00 54.79 53.65 1lkj n ASP 80 Cb 0.40 -3.80 0.34 0.00 -0.64 0.00 0.00 41.12 37.43 1lkj n ASP 80 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1lkj h SER 81 N -1.30 0.00 0.03 -2.24 0.87 -1.86 -3.19 113.55 105.86 1lkj h SER 81 Ca -0.56 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1lkj h SER 81 Cb 1.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1lkj h SER 81 CO 0.44 0.39 -0.05 -0.08 -0.53 0.00 0.00 176.83 177.00 1lkj h GLU 82 N 0.00 -0.10 -0.87 2.24 4.81 -1.91 -2.15 114.58 116.60 1lkj h GLU 82 Ca -0.00 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.38 1lkj h GLU 82 Cb 0.86 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.17 1lkj h GLU 82 CO 0.05 -0.07 0.47 1.96 -0.73 0.00 0.00 179.01 180.70 1lkj h GLN 83 N -0.10 0.67 -0.60 1.92 1.08 -1.93 -0.16 115.11 115.98 1lkj h GLN 83 Ca 0.01 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1lkj h GLN 83 Cb 0.11 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1lkj h GLN 83 CO -0.03 0.44 0.26 0.93 -0.95 0.00 0.00 178.83 179.49 1lkj h GLU 84 N 0.69 0.88 -0.51 1.46 5.08 -1.53 -2.30 114.58 118.36 1lkj h GLU 84 Ca 0.47 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1lkj h GLU 84 Cb 0.63 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1lkj h GLU 84 CO -0.34 0.74 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.31 1lkj h LEU 85 N 0.83 0.85 -1.14 1.33 3.38 -0.52 -2.68 115.31 117.35 1lkj h LEU 85 Ca 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1lkj h LEU 85 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1lkj h LEU 85 CO -0.02 0.93 0.16 -0.07 0.09 0.00 0.00 178.44 179.52 1lkj h LEU 86 N 0.80 0.70 -0.17 1.67 3.38 -0.75 -1.65 115.31 119.29 1lkj h LEU 86 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1lkj h LEU 86 Cb 0.52 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1lkj h LEU 86 CO 0.03 0.67 -0.04 -0.33 0.09 0.00 0.00 178.44 178.86 1lkj h GLU 87 N 0.75 0.34 -0.61 1.13 4.39 -1.11 -2.29 114.58 117.17 1lkj h GLU 87 Ca 0.17 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1lkj h GLU 87 Cb 0.22 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1lkj h GLU 87 CO -0.01 0.60 0.31 0.00 -1.16 0.00 0.00 179.01 178.76 1lkj h ALA 88 N 0.72 0.79 -0.69 3.43 0.00 -1.28 -2.40 119.26 119.82 1lkj h ALA 88 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1lkj h ALA 88 Cb 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1lkj h ALA 88 CO 0.02 0.33 0.40 0.74 0.00 0.00 0.00 179.25 180.73 1lkj h PHE 89 N 0.84 0.92 -0.62 0.00 0.04 -1.26 -2.32 116.94 114.54 1lkj h PHE 89 Ca 0.21 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 1lkj h PHE 89 Cb 0.08 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 1lkj h PHE 89 CO -0.00 0.63 0.06 0.87 -0.60 0.00 0.00 178.31 179.26 1lkj h LYS 90 N 0.96 1.06 -0.08 1.51 1.57 -0.95 -2.11 116.57 118.52 1lkj h LYS 90 Ca 0.25 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1lkj h LYS 90 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1lkj h LYS 90 CO -0.04 1.00 -0.22 0.28 -0.57 0.00 0.00 179.45 179.90 1lkj h VAL 91 N 0.96 1.20 0.00 0.50 2.07 -0.97 -2.42 116.25 117.59 1lkj h VAL 91 Ca 0.18 -0.92 -0.13 0.00 0.82 0.00 0.00 66.70 66.65 1lkj h VAL 91 Cb 0.49 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1lkj h VAL 91 CO 0.02 0.28 -0.63 -0.26 0.02 0.00 0.00 177.57 176.99 1lkj h PHE 92 N 0.13 0.00 -4.41 1.57 -1.00 -1.06 -3.45 116.94 108.71 1lkj h PHE 92 Ca 0.02 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.30 1lkj h PHE 92 Cb 0.47 0.00 0.08 0.00 3.61 0.00 0.00 35.95 40.10 1lkj h PHE 92 CO 0.00 0.63 0.41 -0.51 -1.61 0.00 0.00 178.31 177.23 1lkj s ASP 93 N -6.59 5.63 0.05 2.17 1.01 -0.83 -5.05 116.67 113.06 1lkj s ASP 93 Ca 0.01 1.27 0.06 0.00 0.71 0.00 0.00 52.55 54.61 1lkj s ASP 93 Cb 0.10 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 1lkj s ASP 93 CO 0.75 -1.24 -0.14 -0.75 0.21 0.00 0.00 175.17 174.00 1lkj s LYS 94 N -5.26 2.15 0.00 8.23 2.47 -1.26 -4.81 119.74 121.26 1lkj s LYS 94 Ca 0.57 -0.95 0.00 0.00 -1.56 0.00 0.00 55.97 54.03 1lkj s LYS 94 Cb -0.11 -2.27 0.00 0.00 -1.46 0.00 0.00 37.83 33.99 1lkj s LYS 94 CO 0.53 0.54 0.00 -1.71 0.16 0.00 0.00 175.35 174.87 1lkj n ASN 95 N 1.34 0.00 0.00 1.43 2.85 -1.26 -3.66 115.26 115.96 1lkj n ASN 95 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 1lkj n ASN 95 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 1lkj n ASN 95 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lkj n GLY 96 N 0.00 -0.95 0.05 8.20 0.00 -1.26 -5.07 105.19 106.16 1lkj n GLY 96 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1lkj n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lkj n ASP 97 N 0.00 2.00 -0.56 1.61 8.00 -1.24 -5.01 116.55 121.35 1lkj n ASP 97 Ca 0.00 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.45 1lkj n ASP 97 Cb 0.00 0.94 -0.00 0.00 -0.02 0.00 0.00 41.12 42.04 1lkj n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lkj n GLY 98 N 2.16 0.17 2.81 0.44 0.00 -1.26 -5.02 105.19 104.49 1lkj n GLY 98 Ca -0.17 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.41 1.88 0.28 0.99 1.43 -1.26 -3.14 118.68 117.45 1lkj s LEU 99 Ca 0.00 -1.11 0.11 0.00 -1.03 0.00 0.00 54.13 52.10 1lkj s LEU 99 Cb 0.00 -0.85 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 1lkj s LEU 99 CO 0.00 -0.30 -0.11 0.27 0.23 0.00 0.00 176.35 176.44 1lkj s ILE 100 N 1.65 2.90 0.63 -0.59 -4.36 -0.53 -4.89 121.20 115.99 1lkj s ILE 100 Ca -0.00 -2.18 -0.11 0.00 -0.26 0.00 0.00 60.65 58.09 1lkj s ILE 100 Cb -0.18 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 1lkj s ILE 100 CO -0.10 -0.38 1.03 -0.44 0.24 0.00 0.00 174.94 175.29 1lkj s SER 101 N -3.59 6.16 0.46 4.36 0.01 -1.26 0.05 113.70 119.89 1lkj s SER 101 Ca 0.31 1.41 0.20 0.00 1.31 0.00 0.00 55.95 59.18 1lkj s SER 101 Cb -0.05 -2.44 1.19 0.00 0.21 0.00 0.00 66.02 64.92 1lkj s SER 101 CO 0.17 -0.92 1.91 0.00 0.41 0.00 0.00 173.24 174.82 1lkj h ALA 102 N -0.35 2.31 0.27 1.44 0.00 -1.81 -1.68 119.26 119.43 1lkj h ALA 102 Ca -0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1lkj h ALA 102 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1lkj h ALA 102 CO 0.62 -0.54 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 1lkj h ALA 103 N 1.64 -0.36 0.00 0.00 0.00 -1.91 -2.20 119.26 116.44 1lkj h ALA 103 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1lkj h ALA 103 Cb 1.08 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1lkj h ALA 103 CO -0.10 -0.60 -0.02 0.93 0.00 0.00 0.00 179.25 179.46 1lkj h GLU 104 N -0.56 0.00 -0.29 0.00 5.08 -1.71 -2.21 114.58 114.90 1lkj h GLU 104 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1lkj h GLU 104 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1lkj h GLU 104 CO 0.06 0.02 -0.05 1.25 -1.00 0.00 0.00 179.01 179.29 1lkj h LEU 105 N 0.00 0.54 -0.61 1.33 5.85 -1.01 -2.28 115.31 119.13 1lkj h LEU 105 Ca -0.00 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 1lkj h LEU 105 Cb 0.05 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1lkj h LEU 105 CO 0.00 0.77 0.06 0.11 -0.34 0.00 0.00 178.44 179.04 1lkj h LYS 106 N 0.31 1.04 -0.12 1.25 1.57 -0.83 -1.53 116.57 118.26 1lkj h LYS 106 Ca 0.07 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1lkj h LYS 106 Cb 0.52 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1lkj h LYS 106 CO 0.03 1.00 -0.09 1.25 -0.57 0.00 0.00 179.45 181.06 1lkj h HIS 107 N 0.95 0.18 0.06 -1.35 2.76 -1.35 0.87 115.15 117.27 1lkj h HIS 107 Ca 0.18 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.18 1lkj h HIS 107 Cb 0.49 -0.05 0.02 0.00 1.55 0.00 0.00 27.41 29.41 1lkj h HIS 107 CO 0.04 0.27 -0.66 0.28 -1.30 0.00 0.00 177.93 176.56 1lkj h VAL 108 N 0.17 1.48 0.00 5.26 2.07 -1.03 -1.84 116.25 122.37 1lkj h VAL 108 Ca 0.04 -2.28 -0.09 0.00 0.82 0.00 0.00 66.70 65.19 1lkj h VAL 108 Cb 0.27 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1lkj h VAL 108 CO 0.01 0.65 -0.44 -0.07 0.02 0.00 0.00 177.57 177.75 1lkj h LEU 109 N -0.27 0.00 0.18 2.57 4.07 -1.09 -2.88 115.31 117.89 1lkj h LEU 109 Ca -0.10 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.56 1lkj h LEU 109 Cb 1.43 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.19 1lkj h LEU 109 CO 0.13 0.44 -1.36 0.74 -1.08 0.00 0.00 178.44 177.30 1lkj h THR 110 N 0.00 1.39 -0.84 0.22 2.02 -0.89 -3.26 112.91 111.55 1lkj h THR 110 Ca -0.00 -2.90 -0.03 0.00 0.77 0.00 0.00 66.41 64.24 1lkj h THR 110 Cb 0.83 2.98 -0.04 0.00 -1.74 0.00 0.00 68.15 70.18 1lkj h THR 110 CO 0.06 0.86 0.40 0.28 0.37 0.00 0.00 175.52 177.49 1lkj h SER 111 N 0.11 1.11 0.27 4.18 0.02 -1.24 -1.88 113.55 116.11 1lkj h SER 111 Ca -0.19 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 1lkj h SER 111 Cb 2.06 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 64.31 1lkj h SER 111 CO 0.23 0.94 -0.15 0.40 -1.14 0.00 0.00 176.83 177.11 1lkj h ILE 112 N 1.20 0.82 -1.01 3.27 2.04 -1.60 -3.46 117.51 118.77 1lkj h ILE 112 Ca 0.29 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 1lkj h ILE 112 Cb 0.13 1.34 0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1lkj h ILE 112 CO -0.04 0.15 -0.12 0.61 0.00 0.00 0.00 178.15 178.75 1lkj n GLY 113 N -0.84 0.32 3.03 5.37 0.00 -0.71 -5.03 105.19 107.34 1lkj n GLY 113 Ca -0.02 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1lkj n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1lkj n GLU 114 N -1.43 -3.66 -1.30 1.61 -0.58 -1.25 -4.91 120.64 109.13 1lkj n GLU 114 Ca -0.04 -1.47 -0.32 0.00 -0.42 0.00 0.00 57.16 54.92 1lkj n GLU 114 Cb 0.53 -1.58 0.11 0.00 -0.57 0.00 0.00 31.44 29.94 1lkj n GLU 114 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1lkj n LYS 115 N -4.91 2.56 -3.39 3.49 3.00 -1.26 -4.88 118.16 112.77 1lkj n LYS 115 Ca 0.13 -3.21 -0.44 0.00 -0.00 0.00 0.00 58.31 54.79 1lkj n LYS 115 Cb 0.54 -2.26 -0.06 0.00 0.00 0.00 0.00 35.03 33.24 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 -3.67 5.92 1.39 3.14 1.43 -1.26 -5.07 118.68 120.56 1lkj s LEU 116 Ca 0.63 -1.70 -0.21 0.00 -1.03 0.00 0.00 54.13 51.81 1lkj s LEU 116 Cb 0.50 -2.15 0.36 0.00 0.03 0.00 0.00 46.19 44.92 1lkj s LEU 116 CO 0.03 -0.77 0.94 0.42 0.23 0.00 0.00 176.35 177.20 1lkj s THR 117 N 1.55 1.32 0.38 5.49 -4.23 -1.26 -4.74 115.64 114.15 1lkj s THR 117 Ca 0.04 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.68 1lkj s THR 117 Cb -0.28 -2.06 0.11 0.00 1.34 0.00 0.00 72.50 71.61 1lkj s THR 117 CO 0.03 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.40 1lkj h ASP 118 N -3.34 0.00 -0.38 3.99 5.19 -2.00 -2.93 116.42 116.95 1lkj h ASP 118 Ca -0.46 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 55.90 1lkj h ASP 118 Cb 1.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 1lkj h ASP 118 CO 0.32 0.34 0.08 0.00 -3.12 0.00 0.00 179.24 176.86 1lkj h ALA 119 N 1.66 0.50 -0.21 3.45 0.00 -1.99 -1.35 119.26 121.33 1lkj h ALA 119 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1lkj h ALA 119 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1lkj h ALA 119 CO 0.04 0.19 0.11 0.93 0.00 0.00 0.00 179.25 180.53 1lkj h GLU 120 N 0.47 0.29 -0.16 0.00 5.08 -1.85 -1.82 114.58 116.59 1lkj h GLU 120 Ca 0.12 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1lkj h GLU 120 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1lkj h GLU 120 CO 0.00 0.27 -0.07 0.28 -1.00 0.00 0.00 179.01 178.49 1lkj h VAL 121 N 0.23 1.15 -0.32 3.13 2.07 -1.45 -1.40 116.25 119.65 1lkj h VAL 121 Ca 0.07 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1lkj h VAL 121 Cb 0.07 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1lkj h VAL 121 CO -0.01 0.20 -0.15 0.44 0.02 0.00 0.00 177.57 178.07 1lkj h ASP 122 N 0.23 0.69 0.68 0.57 3.32 -0.73 -0.52 116.42 120.66 1lkj h ASP 122 Ca 0.05 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 1lkj h ASP 122 Cb 0.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1lkj h ASP 122 CO 0.01 0.94 -0.48 0.44 -1.72 0.00 0.00 179.24 178.43 1lkj h ASP 123 N 0.44 0.00 1.00 6.45 5.19 -1.00 -2.66 116.42 125.83 1lkj h ASP 123 Ca 0.07 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.27 1lkj h ASP 123 Cb 0.67 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.15 1lkj h ASP 123 CO 0.05 0.48 -1.00 0.24 -3.12 0.00 0.00 179.24 175.89 1lkj h MET 124 N 0.00 0.00 -0.13 3.56 2.86 -1.11 -3.16 114.93 116.95 1lkj h MET 124 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1lkj h MET 124 Cb 0.95 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.62 1lkj h MET 124 CO 0.06 1.00 -0.81 -0.07 1.06 0.00 0.00 176.91 178.15 1lkj h LEU 125 N 0.00 0.91 -1.36 1.22 3.38 -0.97 -2.21 115.31 116.28 1lkj h LEU 125 Ca -0.01 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.29 1lkj h LEU 125 Cb 1.76 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 1lkj h LEU 125 CO 0.13 1.41 -0.26 -0.09 0.09 0.00 0.00 178.44 179.72 1lkj h ARG 126 N 0.51 0.09 0.07 1.13 2.43 -1.56 0.86 114.38 117.92 1lkj h ARG 126 Ca -0.06 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 58.84 1lkj h ARG 126 Cb 1.44 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1lkj h ARG 126 CO 0.16 0.35 -1.14 0.93 -1.51 0.00 0.00 179.97 178.77 1lkj h GLU 127 N 0.09 0.15 0.00 0.20 5.08 -1.50 -3.40 114.58 115.20 1lkj h GLU 127 Ca 0.01 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1lkj h GLU 127 Cb 0.51 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1lkj h GLU 127 CO 0.04 1.12 -0.72 0.28 -1.00 0.00 0.00 179.01 178.74 1lkj n VAL 128 N -3.45 1.45 -1.76 3.13 0.31 -0.84 -4.87 118.33 112.30 1lkj n VAL 128 Ca -0.05 0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 64.04 1lkj n VAL 128 Cb 0.99 -2.37 -0.03 0.00 -0.91 0.00 0.00 33.84 31.52 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 -5.82 6.50 -0.47 4.52 0.15 0.30 -4.88 113.70 114.00 1lkj s SER 129 Ca -0.21 2.58 0.06 0.00 0.70 0.00 0.00 55.95 59.08 1lkj s SER 129 Cb 0.03 -2.53 0.27 0.00 -1.71 0.00 0.00 66.02 62.08 1lkj s SER 129 CO 0.31 -1.02 1.00 -0.67 1.20 0.00 0.00 173.24 174.06 1lkj n ASP 130 N 7.24 -2.62 0.00 5.45 2.03 -1.26 -4.58 116.55 122.81 1lkj n ASP 130 Ca 0.19 -3.41 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1lkj n ASP 130 Cb 0.41 1.84 0.00 0.00 -0.72 0.00 0.00 41.12 42.65 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1lkj n GLY 131 N 1.11 -2.10 0.03 0.27 0.00 -1.26 -4.99 105.19 98.26 1lkj n GLY 131 Ca 0.07 0.82 -0.01 0.00 0.00 0.00 0.00 46.02 46.90 1lkj n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lkj n SER 132 N 0.00 2.56 0.00 1.61 2.88 -1.26 -5.00 113.62 114.41 1lkj n SER 132 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1lkj n SER 132 Cb 0.00 1.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 1lkj n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1lkj n GLY 133 N 2.22 0.68 3.57 0.46 0.00 -1.26 -5.05 105.19 105.80 1lkj n GLY 133 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 3.35 0.16 1.61 2.02 -1.26 -2.20 118.70 122.37 1lkj s GLU 134 Ca 0.00 0.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.97 1lkj s GLU 134 Cb 0.00 -4.10 -0.06 0.00 0.10 0.00 0.00 34.13 30.07 1lkj s GLU 134 CO 0.00 -1.92 0.40 0.42 0.02 0.00 0.00 175.26 174.18 1lkj s ILE 135 N 5.40 5.14 0.20 -1.63 1.01 0.11 -4.81 121.20 126.62 1lkj s ILE 135 Ca 0.40 0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 1lkj s ILE 135 Cb -0.08 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 1lkj s ILE 135 CO 0.20 0.01 0.62 0.20 0.00 0.00 0.00 174.94 175.97 1lkj s ASN 136 N -2.48 6.85 0.38 3.58 -0.87 -1.26 -1.46 114.94 119.68 1lkj s ASN 136 Ca 0.42 1.17 0.25 0.00 -1.57 0.00 0.00 52.86 53.12 1lkj s ASN 136 Cb -0.12 -2.32 0.59 0.00 -0.02 0.00 0.00 41.25 39.38 1lkj s ASN 136 CO 0.25 0.03 1.70 0.16 -2.57 0.00 0.00 177.10 176.66 1lkj h ILE 137 N 2.58 0.00 -0.01 0.60 3.07 -1.93 -3.21 117.51 118.62 1lkj h ILE 137 Ca -0.48 -0.77 -0.01 0.00 1.55 0.00 0.00 64.86 65.15 1lkj h ILE 137 Cb 1.19 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 1lkj h ILE 137 CO 0.66 0.00 -0.01 1.56 -1.05 0.00 0.00 178.15 179.30 1lkj h GLN 138 N 0.00 0.02 -0.37 0.16 1.08 -1.93 -0.47 115.11 113.60 1lkj h GLN 138 Ca 0.00 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1lkj h GLN 138 Cb 0.86 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1lkj h GLN 138 CO 0.00 0.59 0.18 1.96 -0.95 0.00 0.00 178.83 180.61 1lkj h GLN 139 N -0.54 0.53 -0.53 1.46 1.08 -1.98 -1.65 115.11 113.48 1lkj h GLN 139 Ca 0.00 -0.08 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 1lkj h GLN 139 Cb 0.59 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1lkj h GLN 139 CO 0.00 0.47 0.03 0.35 -0.95 0.00 0.00 178.83 178.74 1lkj h PHE 140 N 0.46 0.99 0.00 2.96 3.04 -1.62 -2.21 116.94 120.57 1lkj h PHE 140 Ca 0.13 -0.16 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1lkj h PHE 140 Cb 0.11 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 1lkj h PHE 140 CO -0.02 0.90 -0.09 0.00 -2.02 0.00 0.00 178.31 177.08 1lkj h ALA 141 N 0.96 1.78 0.04 2.41 0.00 -0.85 -2.05 119.26 121.56 1lkj h ALA 141 Ca 0.15 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 1lkj h ALA 141 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1lkj h ALA 141 CO 0.02 0.12 -1.03 0.00 0.00 0.00 0.00 179.25 178.36 1lkj h ALA 142 N 1.91 0.33 -0.31 0.00 0.00 -0.87 -3.08 119.26 117.23 1lkj h ALA 142 Ca -0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 1lkj h ALA 142 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1lkj h ALA 142 CO 0.01 0.94 -0.18 -0.07 0.00 0.00 0.00 179.25 179.95 1lkj h LEU 143 N 0.11 0.56 -0.80 0.00 3.38 -0.78 0.44 115.31 118.22 1lkj h LEU 143 Ca -0.08 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.60 1lkj h LEU 143 Cb 1.70 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1lkj h LEU 143 CO 0.16 0.75 -0.56 -0.07 0.09 0.00 0.00 178.44 178.81 1lkj h LEU 144 N 0.51 0.00 0.00 1.67 3.38 -1.49 -3.42 115.31 115.96 1lkj h LEU 144 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lkj h LEU 144 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1lkj h LEU 144 CO 0.04 0.56 0.00 -1.20 0.09 0.00 0.00 178.44 177.93 1lkj n SER 145 N -3.74 0.00 0.00 -0.43 7.64 -1.01 -5.04 113.62 111.04 1lkj n SER 145 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1lkj n SER 145 Cb 0.59 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1lkj n SER 145 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32