#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 0.21 -4.80 4.04 3.41 -1.26 -5.06 113.62 110.16 1lkj n SER 2 Ca 0.00 0.18 -0.38 0.00 -0.26 0.00 0.00 58.87 58.40 1lkj n SER 2 Cb 0.00 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1lkj n SER 2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1lkj s ASN 3 N -5.23 6.96 0.96 4.04 3.04 -1.26 -5.05 114.94 118.40 1lkj s ASN 3 Ca 0.00 1.14 -0.11 0.00 0.04 0.00 0.00 52.86 53.93 1lkj s ASN 3 Cb 0.00 -2.33 0.15 0.00 -1.54 0.00 0.00 41.25 37.53 1lkj s ASN 3 CO 0.00 0.22 0.99 0.18 -3.04 0.00 0.00 177.10 175.45 1lkj n LEU 4 N 2.16 2.03 -4.92 3.21 4.77 -1.26 -5.02 117.00 117.96 1lkj n LEU 4 Ca -0.10 0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 1lkj n LEU 4 Cb 0.51 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 1lkj n LEU 4 CO 0.41 -2.56 0.03 0.42 -1.33 0.00 0.00 177.39 174.37 1lkj s THR 5 N -2.56 3.09 0.23 -5.08 -4.23 -1.26 -4.88 115.64 100.94 1lkj s THR 5 Ca 0.65 -1.21 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1lkj s THR 5 Cb -0.23 -3.08 0.18 0.00 1.34 0.00 0.00 72.50 70.71 1lkj s THR 5 CO 0.61 -0.05 1.83 -0.33 -0.54 0.00 0.00 174.62 176.13 1lkj h GLU 6 N 0.94 0.81 -0.12 3.99 4.39 -1.97 0.48 114.58 123.10 1lkj h GLU 6 Ca -0.42 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1lkj h GLU 6 Cb 1.27 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1lkj h GLU 6 CO 0.53 0.53 0.06 0.93 -1.16 0.00 0.00 179.01 179.91 1lkj h GLU 7 N 0.83 0.17 -0.22 2.33 4.39 -1.99 0.18 114.58 120.28 1lkj h GLU 7 Ca 0.34 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.99 1lkj h GLU 7 Cb 0.17 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1lkj h GLU 7 CO -0.18 0.21 0.03 1.96 -1.16 0.00 0.00 179.01 179.88 1lkj h GLN 8 N 0.08 0.36 0.00 2.33 4.20 -1.81 -2.45 115.11 117.82 1lkj h GLN 8 Ca 0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1lkj h GLN 8 Cb 0.10 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1lkj h GLN 8 CO -0.01 0.51 -0.09 0.82 -0.67 0.00 0.00 178.83 179.39 1lkj h ILE 9 N 0.16 0.91 -0.34 2.54 2.04 0.09 -1.93 117.51 120.98 1lkj h ILE 9 Ca 0.07 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.45 1lkj h ILE 9 Cb 0.32 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1lkj h ILE 9 CO 0.00 0.09 -0.39 0.00 0.00 0.00 0.00 178.15 177.85 1lkj h ALA 10 N 1.91 0.66 -0.02 1.87 0.00 -0.20 -2.19 119.26 121.29 1lkj h ALA 10 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1lkj h ALA 10 Cb 0.17 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1lkj h ALA 10 CO 0.01 0.67 -0.00 1.49 0.00 0.00 0.00 179.25 181.42 1lkj h GLU 11 N 0.67 0.04 -0.13 0.00 4.57 -0.92 -2.56 114.58 116.25 1lkj h GLU 11 Ca 0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1lkj h GLU 11 Cb 0.96 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1lkj h GLU 11 CO 0.09 0.35 0.06 0.74 -1.18 0.00 0.00 179.01 179.07 1lkj h PHE 12 N -0.28 0.16 -0.45 0.92 0.04 -1.48 -2.09 116.94 113.76 1lkj h PHE 12 Ca 0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1lkj h PHE 12 Cb 0.33 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1lkj h PHE 12 CO 0.04 0.13 0.05 -0.22 -0.60 0.00 0.00 178.31 177.71 1lkj h LYS 13 N 0.17 0.76 -0.55 1.51 3.64 -1.16 0.10 116.57 121.06 1lkj h LYS 13 Ca 0.05 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1lkj h LYS 13 Cb 0.03 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1lkj h LYS 13 CO -0.01 0.80 0.31 0.93 -2.27 0.00 0.00 179.45 179.22 1lkj h GLU 14 N 0.62 0.75 0.00 1.90 4.39 -0.98 0.22 114.58 121.48 1lkj h GLU 14 Ca 0.13 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.64 1lkj h GLU 14 Cb 0.42 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1lkj h GLU 14 CO 0.01 0.56 -0.56 0.00 -1.16 0.00 0.00 179.01 177.86 1lkj h ALA 15 N 1.15 0.90 0.07 3.43 0.00 -1.36 -2.28 119.26 121.17 1lkj h ALA 15 Ca 0.19 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 1lkj h ALA 15 Cb 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.74 1lkj h ALA 15 CO -0.03 0.70 -0.97 0.35 0.00 0.00 0.00 179.25 179.30 1lkj h PHE 16 N 0.00 0.85 0.00 0.00 3.04 -0.28 -3.24 116.94 117.31 1lkj h PHE 16 Ca -0.01 -0.51 -0.09 0.00 3.98 0.00 0.00 57.97 61.35 1lkj h PHE 16 Cb 1.11 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 1lkj h PHE 16 CO 0.00 1.35 -0.41 0.00 -2.02 0.00 0.00 178.31 177.24 1lkj h ALA 17 N 0.29 1.10 -0.10 2.41 0.00 -0.59 -2.87 119.26 119.49 1lkj h ALA 17 Ca -0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1lkj h ALA 17 Cb 1.67 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1lkj h ALA 17 CO 0.19 0.51 -0.21 -0.07 0.00 0.00 0.00 179.25 179.67 1lkj h LEU 18 N 0.00 0.16 -3.65 0.00 3.38 -1.44 -2.49 115.31 111.27 1lkj h LEU 18 Ca -0.00 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 1lkj h LEU 18 Cb 0.84 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.42 1lkj h LEU 18 CO 0.05 0.39 0.23 0.49 0.09 0.00 0.00 178.44 179.69 1lkj n PHE 19 N -4.22 2.15 0.00 1.13 3.01 -1.09 -4.76 117.46 113.68 1lkj n PHE 19 Ca -0.01 -1.29 0.00 0.00 1.01 0.00 0.00 57.45 57.16 1lkj n PHE 19 Cb 0.31 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 -0.44 0.00 -3.23 4.37 2.03 -0.94 -4.68 116.55 113.66 1lkj n ASP 20 Ca 0.39 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.49 1lkj n ASP 20 Cb 1.31 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.73 1lkj n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1lkj n LYS 21 N -0.12 -2.01 0.04 -0.67 4.76 -1.25 -4.91 118.16 114.00 1lkj n LYS 21 Ca 0.00 1.64 0.00 0.00 -2.87 0.00 0.00 58.31 57.08 1lkj n LYS 21 Cb 0.00 -3.87 0.00 0.00 -1.84 0.00 0.00 35.03 29.32 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 -0.64 -0.77 0.08 4.39 2.03 -1.26 -5.10 116.55 115.28 1lkj n ASP 22 Ca -0.02 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1lkj n ASP 22 Cb 0.58 1.07 0.00 0.00 -0.72 0.00 0.00 41.12 42.05 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 -2.58 -1.36 -4.86 1.67 4.05 -1.26 -5.14 115.26 105.78 1lkj n ASN 23 Ca 0.00 0.40 -0.25 0.00 0.45 0.00 0.00 54.58 55.18 1lkj n ASN 23 Cb 0.00 1.50 -0.04 0.00 1.23 0.00 0.00 39.78 42.47 1lkj n ASN 23 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1lkj s ASN 24 N -1.52 5.82 -0.77 1.20 -0.87 -1.26 -5.00 114.94 112.54 1lkj s ASN 24 Ca 0.00 -0.05 -0.26 0.00 -1.57 0.00 0.00 52.86 50.99 1lkj s ASN 24 Cb 0.00 -1.60 -0.09 0.00 -0.02 0.00 0.00 41.25 39.54 1lkj s ASN 24 CO 0.00 0.04 2.20 -0.83 -2.57 0.00 0.00 177.10 175.94 1lkj s GLY 25 N -3.33 -0.34 -0.16 0.66 0.00 -1.26 -4.85 107.32 98.04 1lkj s GLY 25 Ca 0.32 -0.92 -0.26 0.00 0.00 0.00 0.00 44.72 43.86 1lkj s GLY 25 CO 0.26 3.89 0.66 -1.35 0.00 0.00 0.00 173.10 176.56 1lkj s SER 26 N 9.82 -0.66 0.15 1.64 1.04 -1.26 -3.65 113.70 120.79 1lkj s SER 26 Ca 0.83 1.04 0.05 0.00 0.48 0.00 0.00 55.95 58.35 1lkj s SER 26 Cb -0.11 0.99 -0.04 0.00 0.10 0.00 0.00 66.02 66.95 1lkj s SER 26 CO 0.08 -0.40 -0.12 0.27 0.98 0.00 0.00 173.24 174.06 1lkj s ILE 27 N -0.35 1.31 0.53 -1.02 -4.36 -0.56 -4.67 121.20 112.08 1lkj s ILE 27 Ca -0.05 -2.03 -0.07 0.00 -0.26 0.00 0.00 60.65 58.24 1lkj s ILE 27 Cb -0.03 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 1lkj s ILE 27 CO 0.05 -0.66 0.88 -0.44 0.24 0.00 0.00 174.94 175.01 1lkj s SER 28 N -3.06 6.25 0.37 4.36 0.01 -1.26 0.15 113.70 120.51 1lkj s SER 28 Ca 0.16 1.11 0.04 0.00 1.31 0.00 0.00 55.95 58.58 1lkj s SER 28 Cb 0.00 -2.33 0.70 0.00 0.21 0.00 0.00 66.02 64.60 1lkj s SER 28 CO 0.02 -0.68 1.98 0.77 0.41 0.00 0.00 173.24 175.74 1lkj h SER 29 N 0.04 0.57 -0.18 2.44 4.64 -1.97 -1.54 113.55 117.55 1lkj h SER 29 Ca -0.46 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 60.87 1lkj h SER 29 Cb 1.20 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1lkj h SER 29 CO 0.62 0.48 0.16 -1.28 -0.87 0.00 0.00 176.83 175.94 1lkj h SER 30 N 0.65 0.00 0.59 4.97 0.87 -1.93 -0.62 113.55 118.09 1lkj h SER 30 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1lkj h SER 30 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1lkj h SER 30 CO -0.02 0.00 -1.34 -0.62 -0.53 0.00 0.00 176.83 174.32 1lkj n GLU 31 N -4.03 0.58 0.08 2.24 1.02 -0.62 -4.29 120.64 115.63 1lkj n GLU 31 Ca 0.01 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1lkj n GLU 31 Cb 0.29 -1.70 -0.06 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 -1.08 -1.17 -4.62 5.85 -0.70 0.59 115.31 114.18 1lkj h LEU 32 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1lkj h LEU 32 Cb 0.97 0.42 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 1lkj h LEU 32 CO 0.00 -0.42 0.57 0.00 -0.34 0.00 0.00 178.44 178.24 1lkj h ALA 33 N 0.09 1.45 -0.42 1.25 0.00 -1.76 -2.07 119.26 117.80 1lkj h ALA 33 Ca 0.05 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1lkj h ALA 33 Cb 0.61 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1lkj h ALA 33 CO -0.27 0.47 -0.33 1.15 0.00 0.00 0.00 179.25 180.27 1lkj h THR 34 N 1.09 1.27 -0.23 0.00 2.02 -1.49 -2.46 112.91 113.11 1lkj h THR 34 Ca 0.34 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1lkj h THR 34 Cb -0.00 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1lkj h THR 34 CO -0.10 0.51 0.06 0.58 0.37 0.00 0.00 175.52 176.95 1lkj h VAL 35 N 0.80 1.11 -0.07 3.16 2.07 0.79 -1.91 116.25 122.20 1lkj h VAL 35 Ca 0.08 -0.37 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 1lkj h VAL 35 Cb 0.93 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1lkj h VAL 35 CO 0.09 0.13 -0.79 0.24 0.02 0.00 0.00 177.57 177.26 1lkj h MET 36 N 0.32 0.45 -0.29 1.57 2.86 -1.18 -2.30 114.93 116.34 1lkj h MET 36 Ca 0.08 -0.39 -0.06 0.00 -2.06 0.00 0.00 59.70 57.26 1lkj h MET 36 Cb 0.11 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1lkj h MET 36 CO -0.00 1.04 -0.09 0.00 1.06 0.00 0.00 176.91 178.92 1lkj h ARG 37 N 0.29 0.48 0.08 1.72 3.08 -0.89 0.15 114.38 119.29 1lkj h ARG 37 Ca -0.05 -0.12 -0.25 0.00 0.07 0.00 0.00 59.98 59.63 1lkj h ARG 37 Cb 1.39 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1lkj h ARG 37 CO 0.14 0.57 -1.12 0.77 -1.07 0.00 0.00 179.97 179.26 1lkj h SER 38 N 0.45 0.44 0.54 7.04 0.02 -1.37 -3.20 113.55 117.47 1lkj h SER 38 Ca 0.09 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.58 1lkj h SER 38 Cb 0.43 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1lkj h SER 38 CO 0.02 1.28 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.75 1lkj h LEU 39 N 0.12 0.00 0.00 5.07 3.38 -1.15 -3.45 115.31 119.28 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 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1lkj h LEU 39 CO 0.19 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1lkj n GLY 40 N -0.40 1.33 3.63 0.83 0.00 -0.92 -5.10 105.19 104.57 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 2.57 -0.43 0.99 1.43 0.49 -5.01 118.68 118.73 1lkj s LEU 41 Ca 0.00 -1.47 0.03 0.00 -1.03 0.00 0.00 54.13 51.67 1lkj s LEU 41 Cb 0.00 -0.74 0.27 0.00 0.03 0.00 0.00 46.19 45.75 1lkj s LEU 41 CO 0.00 -0.61 1.07 -0.24 0.23 0.00 0.00 176.35 176.80 1lkj n SER 42 N -1.03 -2.22 -4.75 2.29 2.88 -1.26 -4.20 113.62 105.32 1lkj n SER 42 Ca -0.09 -2.81 -0.41 0.00 -1.33 0.00 0.00 58.87 54.24 1lkj n SER 42 Cb 0.67 1.48 -0.04 0.00 -0.75 0.00 0.00 64.21 65.56 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 0.41 4.62 1.18 -1.46 0.04 -1.26 -4.99 135.00 133.54 1lkj s PRO 43 Ca 0.28 1.79 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 1lkj s PRO 43 Cb 0.24 -3.22 0.30 0.00 0.04 0.00 0.00 34.50 31.86 1lkj s PRO 43 CO -0.17 0.15 1.02 -1.12 0.04 0.00 0.00 177.00 176.92 1lkj s SER 44 N -0.59 0.81 0.54 6.66 0.01 -1.26 -4.65 113.70 115.21 1lkj s SER 44 Ca 0.46 1.48 0.20 0.00 1.31 0.00 0.00 55.95 59.40 1lkj s SER 44 Cb -0.31 -2.28 1.40 0.00 0.21 0.00 0.00 66.02 65.03 1lkj s SER 44 CO 0.39 -4.30 2.16 -0.08 0.41 0.00 0.00 173.24 171.82 1lkj h GLU 45 N -2.69 0.00 -0.23 12.44 4.81 -2.00 -1.78 114.58 125.12 1lkj h GLU 45 Ca -0.63 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.44 1lkj h GLU 45 Cb 1.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1lkj h GLU 45 CO 0.51 0.00 -0.49 0.00 -0.73 0.00 0.00 179.01 178.30 1lkj h ALA 46 N 1.97 0.37 -0.75 2.92 0.00 -2.00 -2.55 119.26 119.22 1lkj h ALA 46 Ca 0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1lkj h ALA 46 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1lkj h ALA 46 CO -0.00 0.54 0.25 0.93 0.00 0.00 0.00 179.25 180.97 1lkj h GLU 47 N 0.47 1.15 -0.20 0.00 4.39 -1.66 -2.67 114.58 116.06 1lkj h GLU 47 Ca 0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1lkj h GLU 47 Cb 1.10 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1lkj h GLU 47 CO 0.11 0.96 0.09 0.28 -1.16 0.00 0.00 179.01 179.29 1lkj h VAL 48 N 1.10 1.15 -0.67 3.13 2.07 -1.40 -2.68 116.25 118.95 1lkj h VAL 48 Ca 0.24 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.43 1lkj h VAL 48 Cb 0.28 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 1lkj h VAL 48 CO -0.01 0.14 0.27 -1.13 0.02 0.00 0.00 177.57 176.87 1lkj h ASN 49 N 0.18 0.30 -0.36 0.57 -1.24 -1.26 0.20 115.58 113.97 1lkj h ASN 49 Ca 0.07 0.08 0.04 0.00 0.71 0.00 0.00 56.30 57.20 1lkj h ASN 49 Cb 0.15 0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 1lkj h ASN 49 CO -0.01 0.16 0.14 -0.78 -1.29 0.00 0.00 177.43 175.65 1lkj h ASP 50 N 0.46 0.17 0.14 1.15 3.58 -1.24 0.90 116.42 121.58 1lkj h ASP 50 Ca 0.34 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 1lkj h ASP 50 Cb 0.43 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1lkj h ASP 50 CO -0.32 0.13 -0.07 -0.07 -2.88 0.00 0.00 179.24 176.04 1lkj h LEU 51 N 0.30 -0.16 -2.09 2.28 4.07 -0.95 -2.49 115.31 116.28 1lkj h LEU 51 Ca 0.16 -0.22 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1lkj h LEU 51 Cb 0.12 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 1lkj h LEU 51 CO -0.15 0.14 -0.08 0.24 -1.08 0.00 0.00 178.44 177.51 1lkj h MET 52 N -0.47 0.00 -0.38 1.13 2.86 -0.40 -1.40 114.93 116.27 1lkj h MET 52 Ca -0.02 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 1lkj h MET 52 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1lkj h MET 52 CO 0.03 0.08 -0.38 -0.97 1.06 0.00 0.00 176.91 176.73 1lkj h ASN 53 N 0.00 0.97 0.59 1.22 -0.73 0.12 0.94 115.58 118.68 1lkj h ASN 53 Ca -0.00 -0.44 -0.22 0.00 1.87 0.00 0.00 56.30 57.51 1lkj h ASN 53 Cb 0.25 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 1lkj h ASN 53 CO 0.01 1.23 -0.98 -0.08 -0.37 0.00 0.00 177.43 177.24 1lkj h GLU 54 N 0.74 0.23 0.00 6.67 4.81 -0.96 -3.39 114.58 122.68 1lkj h GLU 54 Ca 0.06 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1lkj h GLU 54 Cb 0.96 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1lkj h GLU 54 CO 0.09 1.04 -0.19 0.82 -0.73 0.00 0.00 179.01 180.04 1lkj h ILE 55 N 0.11 0.00 -1.36 2.32 2.04 -1.20 -3.43 117.51 115.99 1lkj h ILE 55 Ca -0.07 -0.49 -0.37 0.00 1.00 0.00 0.00 64.86 64.94 1lkj h ILE 55 Cb 1.64 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1lkj h ILE 55 CO 0.15 0.00 1.13 -0.62 0.00 0.00 0.00 178.15 178.81 1lkj s ASP 56 N -4.50 4.68 0.02 1.72 2.15 0.33 -4.76 116.67 116.30 1lkj s ASP 56 Ca -0.05 0.42 -0.10 0.00 0.43 0.00 0.00 52.55 53.24 1lkj s ASP 56 Cb 0.01 -2.53 -0.32 0.00 -0.30 0.00 0.00 42.92 39.78 1lkj s ASP 56 CO 0.08 -2.90 0.92 0.58 -0.17 0.00 0.00 175.17 173.68 1lkj h VAL 57 N 7.39 1.22 -1.17 1.11 2.07 -1.79 -3.40 116.25 121.68 1lkj h VAL 57 Ca -0.15 -2.75 -0.39 0.00 0.82 0.00 0.00 66.70 64.23 1lkj h VAL 57 Cb 1.15 2.91 -0.40 0.00 -1.52 0.00 0.00 31.29 33.43 1lkj h VAL 57 CO 1.16 0.84 -1.17 -0.67 0.02 0.00 0.00 177.57 177.74 1lkj n ASP 58 N -3.60 1.56 -1.81 0.57 2.03 -1.26 -4.92 116.55 109.12 1lkj n ASP 58 Ca -0.17 -2.81 -0.18 0.00 0.52 0.00 0.00 54.79 52.14 1lkj n ASP 58 Cb 1.07 -0.54 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.04 0.58 3.40 0.27 0.00 -1.26 -4.93 105.19 103.20 1lkj n GLY 59 Ca 0.13 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.45 -0.64 -0.29 1.61 0.01 -1.26 -5.10 114.94 106.81 1lkj s ASN 60 Ca 0.00 0.83 -0.15 0.00 -0.71 0.00 0.00 52.86 52.83 1lkj s ASN 60 Cb 0.00 1.71 0.15 0.00 0.41 0.00 0.00 41.25 43.52 1lkj s ASN 60 CO 0.00 -0.12 0.96 -2.28 -1.51 0.00 0.00 177.10 174.15 1lkj s HIS 61 N 2.54 -0.66 -0.29 2.20 2.46 -1.26 -4.34 115.29 115.93 1lkj s HIS 61 Ca -0.02 1.23 -0.21 0.00 0.47 0.00 0.00 55.06 56.54 1lkj s HIS 61 Cb -0.07 0.40 -0.01 0.00 -0.13 0.00 0.00 32.58 32.77 1lkj s HIS 61 CO -0.17 -0.33 0.65 -0.65 -2.47 0.00 0.00 174.74 171.77 1lkj s GLN 62 N 1.87 3.96 0.17 2.88 -0.21 -1.26 -3.51 119.66 123.55 1lkj s GLN 62 Ca -0.06 0.40 -0.30 0.00 0.02 0.00 0.00 55.36 55.42 1lkj s GLN 62 Cb -0.05 -3.71 -0.07 0.00 1.00 0.00 0.00 33.01 30.18 1lkj s GLN 62 CO -0.16 -0.55 0.95 0.42 -2.12 0.00 0.00 175.29 173.83 1lkj s ILE 63 N 2.63 4.31 0.34 1.08 1.01 0.12 -4.81 121.20 125.89 1lkj s ILE 63 Ca 0.26 2.07 0.01 0.00 0.00 0.00 0.00 60.65 63.00 1lkj s ILE 63 Cb -0.15 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1lkj s ILE 63 CO 0.11 0.39 0.54 -1.61 0.00 0.00 0.00 174.94 174.37 1lkj s GLU 64 N -0.51 3.46 0.19 2.79 0.41 -1.26 -1.50 118.70 122.28 1lkj s GLU 64 Ca 0.44 -0.39 -0.11 0.00 -0.41 0.00 0.00 54.97 54.50 1lkj s GLU 64 Cb -0.25 -2.68 0.19 0.00 -1.78 0.00 0.00 34.13 29.61 1lkj s GLU 64 CO 0.31 0.15 1.79 0.35 -0.49 0.00 0.00 175.26 177.37 1lkj h PHE 65 N 0.77 0.53 -0.58 1.61 3.57 -1.97 0.37 116.94 121.24 1lkj h PHE 65 Ca -0.50 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.07 1lkj h PHE 65 Cb 1.22 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 1lkj h PHE 65 CO 0.50 0.25 0.32 0.66 -2.23 0.00 0.00 178.31 177.81 1lkj h SER 66 N 0.55 0.49 -0.55 0.41 4.64 -1.94 0.32 113.55 117.47 1lkj h SER 66 Ca 0.26 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1lkj h SER 66 Cb 0.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1lkj h SER 66 CO -0.18 0.33 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.72 1lkj h GLU 67 N 0.62 1.02 0.75 4.77 5.08 -1.78 -2.41 114.58 122.63 1lkj h GLU 67 Ca 0.25 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1lkj h GLU 67 Cb 0.12 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1lkj h GLU 67 CO -0.15 1.03 -0.36 0.35 -1.00 0.00 0.00 179.01 178.88 1lkj h PHE 68 N 0.92 -0.94 -0.71 4.33 3.57 -0.17 0.52 116.94 124.46 1lkj h PHE 68 Ca 0.15 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.83 1lkj h PHE 68 Cb 0.61 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1lkj h PHE 68 CO 0.04 -0.56 0.51 -0.07 -2.23 0.00 0.00 178.31 175.99 1lkj h LEU 69 N -1.12 0.07 0.03 0.59 3.38 -0.97 2.21 115.31 119.50 1lkj h LEU 69 Ca -0.10 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1lkj h LEU 69 Cb 0.79 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1lkj h LEU 69 CO 0.17 0.03 -0.21 0.00 0.09 0.00 0.00 178.44 178.52 1lkj h ALA 70 N 1.65 -0.02 -0.01 1.53 0.00 -0.99 -1.24 119.26 120.19 1lkj h ALA 70 Ca 0.34 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1lkj h ALA 70 Cb 1.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1lkj h ALA 70 CO -0.03 0.10 -0.70 -0.07 0.00 0.00 0.00 179.25 178.55 1lkj h LEU 71 N -0.85 0.06 -0.06 0.00 3.38 0.90 -2.37 115.31 116.36 1lkj h LEU 71 Ca -0.04 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 1lkj h LEU 71 Cb 1.16 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1lkj h LEU 71 CO 0.03 0.74 -1.06 0.00 0.09 0.00 0.00 178.44 178.24 1lkj h MET 72 N 0.03 0.41 -0.19 1.13 -0.00 0.35 -3.12 114.93 113.54 1lkj h MET 72 Ca -0.01 -0.51 -0.14 0.00 -0.00 0.00 0.00 59.70 59.04 1lkj h MET 72 Cb 1.24 0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 32.99 1lkj h MET 72 CO 0.09 1.17 -0.47 1.03 -0.00 0.00 0.00 176.91 178.73 1lkj h SER 73 N 0.20 0.54 -0.68 -0.10 0.87 -1.18 -2.77 113.55 110.44 1lkj h SER 73 Ca -0.11 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.14 1lkj h SER 73 Cb 1.72 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.50 1lkj h SER 73 CO 0.18 0.93 0.24 0.08 -0.53 0.00 0.00 176.83 177.74 1lkj h ARG 74 N 0.40 1.06 -0.47 2.24 0.11 -1.46 -1.78 114.38 114.48 1lkj h ARG 74 Ca 0.02 -0.20 -0.10 0.00 0.10 0.00 0.00 59.98 59.80 1lkj h ARG 74 Cb 0.98 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 1lkj h ARG 74 CO 0.09 0.89 -0.10 1.96 0.10 0.00 0.00 179.97 182.91 1lkj h GLN 75 N 1.02 0.89 0.00 0.08 1.08 -1.46 -2.78 115.11 113.94 1lkj h GLN 75 Ca 0.23 -0.33 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1lkj h GLN 75 Cb 0.26 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1lkj h GLN 75 CO -0.01 0.98 -0.27 -0.07 -0.95 0.00 0.00 178.83 178.50 1lkj h LEU 76 N 0.74 0.00 -9.99 1.46 3.38 -1.20 -3.43 115.31 106.26 1lkj h LEU 76 Ca 0.12 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.55 1lkj h LEU 76 Cb 0.64 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.50 1lkj h LEU 76 CO 0.04 0.27 0.67 -0.75 0.09 0.00 0.00 178.44 178.77 1lkj s LYS 77 N -4.17 3.66 -0.29 1.13 2.20 -0.70 -5.01 119.74 116.57 1lkj s LYS 77 Ca -0.03 2.34 -0.17 0.00 -0.36 0.00 0.00 55.97 57.75 1lkj s LYS 77 Cb 0.14 -2.62 0.13 0.00 -1.51 0.00 0.00 37.83 33.98 1lkj s LYS 77 CO 0.68 -0.81 0.94 0.45 -0.36 0.00 0.00 175.35 176.25 1lkj s SER 78 N -0.62 -0.56 -0.38 1.43 0.15 -1.26 -5.01 113.70 107.44 1lkj s SER 78 Ca 0.62 0.91 0.07 0.00 0.70 0.00 0.00 55.95 58.25 1lkj s SER 78 Cb -0.42 1.20 0.18 0.00 -1.71 0.00 0.00 66.02 65.27 1lkj s SER 78 CO 0.53 -0.15 0.60 0.20 1.20 0.00 0.00 173.24 175.63 1lkj s ASN 79 N 1.26 -1.33 0.04 5.45 -0.87 -1.26 -5.04 114.94 113.19 1lkj s ASN 79 Ca -0.08 -0.66 -0.28 0.00 -1.57 0.00 0.00 52.86 50.27 1lkj s ASN 79 Cb -0.04 1.86 0.09 0.00 -0.02 0.00 0.00 41.25 43.15 1lkj s ASN 79 CO -0.15 -0.20 1.01 -0.62 -2.57 0.00 0.00 177.10 174.57 1lkj s ASP 80 N 2.00 -0.22 0.02 -1.22 2.15 -1.26 -5.00 116.67 113.13 1lkj s ASP 80 Ca 0.15 -0.18 -0.25 0.00 0.43 0.00 0.00 52.55 52.70 1lkj s ASP 80 Cb -0.06 0.37 -0.14 0.00 -0.30 0.00 0.00 42.92 42.79 1lkj s ASP 80 CO -0.10 -0.65 1.12 -1.28 -0.17 0.00 0.00 175.17 174.09 1lkj h SER 81 N 2.00 -0.75 -0.63 -0.34 0.87 -2.01 -0.98 113.55 111.71 1lkj h SER 81 Ca -0.23 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1lkj h SER 81 Cb 1.22 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 63.34 1lkj h SER 81 CO 0.27 -0.43 0.42 1.05 -0.53 0.00 0.00 176.83 177.61 1lkj h GLU 82 N -1.10 0.50 -0.39 2.24 4.11 -1.98 -0.84 114.58 117.12 1lkj h GLU 82 Ca -0.09 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.21 1lkj h GLU 82 Cb 0.68 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1lkj h GLU 82 CO 0.15 0.33 -0.17 1.96 0.07 0.00 0.00 179.01 181.35 1lkj h GLN 83 N 0.52 0.73 -0.23 1.06 4.20 -1.93 -2.28 115.11 117.18 1lkj h GLN 83 Ca 0.28 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1lkj h GLN 83 Cb 0.44 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1lkj h GLN 83 CO -0.09 0.85 0.09 0.93 -0.67 0.00 0.00 178.83 179.95 1lkj h GLU 84 N 0.65 0.34 -0.76 1.46 4.39 0.26 -1.67 114.58 119.26 1lkj h GLU 84 Ca 0.10 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1lkj h GLU 84 Cb 0.65 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1lkj h GLU 84 CO 0.05 0.39 0.38 -0.07 -1.16 0.00 0.00 179.01 178.59 1lkj h LEU 85 N 0.22 0.99 -1.26 1.33 3.38 -1.38 -2.23 115.31 116.35 1lkj h LEU 85 Ca 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1lkj h LEU 85 Cb 0.17 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1lkj h LEU 85 CO -0.01 0.83 0.11 -0.07 0.09 0.00 0.00 178.44 179.40 1lkj h LEU 86 N 1.07 0.56 -0.09 1.67 3.38 -1.19 -2.15 115.31 118.57 1lkj h LEU 86 Ca 0.26 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1lkj h LEU 86 Cb 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1lkj h LEU 86 CO -0.04 0.56 0.01 -0.33 0.09 0.00 0.00 178.44 178.74 1lkj h GLU 87 N 0.60 0.15 -0.29 1.13 3.07 -0.72 -1.81 114.58 116.71 1lkj h GLU 87 Ca 0.14 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1lkj h GLU 87 Cb 0.22 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 1lkj h GLU 87 CO -0.01 0.37 0.17 0.00 -1.40 0.00 0.00 179.01 178.14 1lkj h ALA 88 N 0.77 0.36 0.00 3.43 0.00 -1.23 -1.27 119.26 121.32 1lkj h ALA 88 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1lkj h ALA 88 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1lkj h ALA 88 CO 0.00 -0.20 -0.06 0.74 0.00 0.00 0.00 179.25 179.73 1lkj h PHE 89 N 0.35 0.00 0.05 0.00 0.04 -1.34 -2.40 116.94 113.64 1lkj h PHE 89 Ca 0.11 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.63 1lkj h PHE 89 Cb -0.01 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.17 1lkj h PHE 89 CO -0.08 0.06 -1.03 -0.22 -0.60 0.00 0.00 178.31 176.45 1lkj h LYS 90 N 0.00 0.60 -0.80 1.51 3.64 -0.38 -3.11 116.57 118.04 1lkj h LYS 90 Ca -0.00 -0.72 -0.01 0.00 -1.27 0.00 0.00 60.65 58.65 1lkj h LYS 90 Cb 0.14 0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1lkj h LYS 90 CO 0.01 1.31 0.48 0.28 -2.27 0.00 0.00 179.45 179.25 1lkj h VAL 91 N 0.22 1.23 0.00 2.00 2.07 -0.78 -1.66 116.25 119.32 1lkj h VAL 91 Ca -0.14 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1lkj h VAL 91 Cb 1.71 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1lkj h VAL 91 CO 0.20 0.24 -0.17 -0.26 0.02 0.00 0.00 177.57 177.59 1lkj h PHE 92 N 1.10 0.00 -4.52 1.57 -1.00 -1.55 -3.43 116.94 109.12 1lkj h PHE 92 Ca 0.29 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.58 1lkj h PHE 92 Cb -0.03 0.00 0.08 0.00 3.61 0.00 0.00 35.95 39.61 1lkj h PHE 92 CO -0.00 0.17 0.41 0.34 -1.61 0.00 0.00 178.31 177.62 1lkj s ASP 93 N -6.43 5.16 -0.08 2.17 2.15 -0.63 -4.98 116.67 114.04 1lkj s ASP 93 Ca -0.03 1.03 0.21 0.00 0.43 0.00 0.00 52.55 54.19 1lkj s ASP 93 Cb 0.14 -1.73 0.43 0.00 -0.30 0.00 0.00 42.92 41.45 1lkj s ASP 93 CO 0.63 -1.51 1.18 0.29 -0.17 0.00 0.00 175.17 175.59 1lkj n LYS 94 N -3.10 0.62 0.01 4.34 4.76 -1.26 -4.86 118.16 118.67 1lkj n LYS 94 Ca 0.07 -2.50 0.00 0.00 -2.87 0.00 0.00 58.31 53.01 1lkj n LYS 94 Cb 0.58 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 33.17 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 -0.07 0.01 0.00 4.39 3.02 -1.26 -5.06 115.26 116.29 1lkj n ASN 95 Ca 0.11 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1lkj n ASN 95 Cb 0.99 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.19 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 1.87 1.16 0.10 7.41 0.00 -1.26 -4.97 105.19 109.50 1lkj n GLY 96 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1lkj n GLY 96 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1lkj h ASP 97 N 2.00 0.20 0.00 1.61 1.82 -1.97 -3.48 116.42 116.61 1lkj h ASP 97 Ca 0.00 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 1lkj h ASP 97 Cb 0.00 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1lkj h ASP 97 CO 0.00 0.40 0.00 0.61 -1.61 0.00 0.00 179.24 178.64 1lkj n GLY 98 N -0.47 0.56 2.71 -0.78 0.00 -1.26 -4.93 105.19 101.02 1lkj n GLY 98 Ca -0.05 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 1lkj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lkj s LEU 99 N 0.00 1.56 0.28 0.99 1.43 -1.26 -1.96 118.68 119.71 1lkj s LEU 99 Ca 0.00 -1.25 0.10 0.00 -1.03 0.00 0.00 54.13 51.95 1lkj s LEU 99 Cb 0.00 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.49 1lkj s LEU 99 CO 0.00 -0.37 -0.07 0.27 0.23 0.00 0.00 176.35 176.41 1lkj s ILE 100 N 1.79 3.07 0.63 -0.59 -4.36 -0.74 -4.79 121.20 116.20 1lkj s ILE 100 Ca 0.05 -2.08 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 1lkj s ILE 100 Cb -0.17 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 1lkj s ILE 100 CO -0.20 -0.37 1.04 -0.44 0.24 0.00 0.00 174.94 175.21 1lkj s SER 101 N -3.62 6.13 0.35 4.36 0.01 -1.26 -0.92 113.70 118.74 1lkj s SER 101 Ca 0.31 1.42 0.08 0.00 1.31 0.00 0.00 55.95 59.08 1lkj s SER 101 Cb -0.05 -2.45 0.80 0.00 0.21 0.00 0.00 66.02 64.52 1lkj s SER 101 CO 0.18 -0.94 1.86 0.00 0.41 0.00 0.00 173.24 174.76 1lkj h ALA 102 N -0.37 1.81 0.29 1.44 0.00 -1.94 -1.20 119.26 119.29 1lkj h ALA 102 Ca -0.44 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1lkj h ALA 102 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1lkj h ALA 102 CO 0.62 -0.06 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 1lkj h ALA 103 N 1.60 -0.38 0.00 0.00 0.00 -1.99 -2.11 119.26 116.37 1lkj h ALA 103 Ca 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1lkj h ALA 103 Cb 0.72 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1lkj h ALA 103 CO -0.22 -0.65 -0.02 0.93 0.00 0.00 0.00 179.25 179.29 1lkj h GLU 104 N -0.51 0.00 -0.21 0.00 5.08 -1.76 -2.22 114.58 114.97 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 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1lkj h GLU 104 CO 0.06 0.02 -0.11 1.25 -1.00 0.00 0.00 179.01 179.23 1lkj h LEU 105 N 0.00 0.47 -1.20 1.33 5.85 -0.76 -2.20 115.31 118.81 1lkj h LEU 105 Ca -0.00 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 1lkj h LEU 105 Cb 0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1lkj h LEU 105 CO 0.00 0.78 -0.24 0.11 -0.34 0.00 0.00 178.44 178.76 1lkj h LYS 106 N 0.15 0.26 -0.05 1.25 1.57 -0.82 -1.73 116.57 117.21 1lkj h LYS 106 Ca 0.05 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 1lkj h LYS 106 Cb 0.61 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1lkj h LYS 106 CO 0.03 0.49 -0.53 1.25 -0.57 0.00 0.00 179.45 180.12 1lkj h HIS 107 N 0.24 0.16 0.05 -1.35 2.76 -1.30 -2.39 115.15 113.31 1lkj h HIS 107 Ca 0.04 -0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 1lkj h HIS 107 Cb 0.55 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.50 1lkj h HIS 107 CO 0.01 0.63 -0.59 0.28 -1.30 0.00 0.00 177.93 176.97 1lkj h VAL 108 N 0.10 1.50 -0.20 5.26 2.07 -0.96 -2.19 116.25 121.83 1lkj h VAL 108 Ca -0.00 -2.25 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 1lkj h VAL 108 Cb 0.97 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1lkj h VAL 108 CO 0.08 0.64 0.04 -0.07 0.02 0.00 0.00 177.57 178.27 1lkj h LEU 109 N -0.32 0.25 0.04 2.57 3.38 -1.34 -1.53 115.31 118.36 1lkj h LEU 109 Ca -0.09 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.63 1lkj h LEU 109 Cb 1.37 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1lkj h LEU 109 CO 0.11 0.27 -1.09 0.74 0.09 0.00 0.00 178.44 178.57 1lkj h THR 110 N 0.28 1.64 -0.27 0.22 2.02 -1.47 -3.19 112.91 112.13 1lkj h THR 110 Ca 0.07 -3.30 -0.18 0.00 0.77 0.00 0.00 66.41 63.77 1lkj h THR 110 Cb 0.13 2.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 1lkj h THR 110 CO -0.00 0.95 -0.53 -1.28 0.37 0.00 0.00 175.52 175.03 1lkj h SER 111 N 0.02 0.89 0.27 4.18 0.87 -0.78 -2.96 113.55 116.05 1lkj h SER 111 Ca -0.05 -0.47 -0.04 0.00 -1.23 0.00 0.00 61.79 60.00 1lkj h SER 111 Cb 1.84 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 1lkj h SER 111 CO 0.15 1.25 -0.17 0.40 -0.53 0.00 0.00 176.83 177.93 1lkj h ILE 112 N 0.62 0.92 0.00 2.23 2.04 -1.38 -3.46 117.51 118.48 1lkj h ILE 112 Ca 0.02 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1lkj h ILE 112 Cb 1.12 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1lkj h ILE 112 CO 0.11 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1lkj n GLY 113 N -0.84 0.88 3.74 5.37 0.00 -1.12 -5.06 105.19 108.17 1lkj n GLY 113 Ca -0.02 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1lkj n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lkj s GLU 114 N -2.84 1.40 -0.79 1.61 0.41 -1.21 -4.95 118.70 112.33 1lkj s GLU 114 Ca 0.00 0.73 -0.01 0.00 -0.41 0.00 0.00 54.97 55.28 1lkj s GLU 114 Cb 0.00 -1.83 0.36 0.00 -1.78 0.00 0.00 34.13 30.88 1lkj s GLU 114 CO 0.00 -2.12 1.91 1.63 -0.49 0.00 0.00 175.26 176.18 1lkj n LYS 115 N -3.79 2.84 -3.19 1.61 4.76 -1.26 -4.94 118.16 114.20 1lkj n LYS 115 Ca 0.07 -3.65 -0.44 0.00 -2.87 0.00 0.00 58.31 51.42 1lkj n LYS 115 Cb 0.56 -2.27 -0.06 0.00 -1.84 0.00 0.00 35.03 31.42 1lkj n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1lkj s LEU 116 N -4.00 5.28 1.12 -0.35 1.43 -1.26 -5.05 118.68 115.84 1lkj s LEU 116 Ca 0.52 -1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1lkj s LEU 116 Cb 0.44 -2.35 0.25 0.00 0.03 0.00 0.00 46.19 44.56 1lkj s LEU 116 CO -0.38 -0.92 1.00 0.35 0.23 0.00 0.00 176.35 176.63 1lkj n THR 117 N 5.51 0.00 0.19 5.49 -2.24 -1.26 -4.74 114.28 117.23 1lkj n THR 117 Ca -0.09 -0.34 0.06 0.00 -2.27 0.00 0.00 64.05 61.41 1lkj n THR 117 Cb 0.44 -0.98 0.53 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.49 0.11 -0.55 3.42 5.19 -2.00 -2.08 116.42 118.03 1lkj h ASP 118 Ca -0.57 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 55.78 1lkj h ASP 118 Cb 1.32 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 1lkj h ASP 118 CO 0.47 0.16 0.16 0.00 -3.12 0.00 0.00 179.24 176.91 1lkj h ALA 119 N 1.85 1.16 0.14 3.45 0.00 -1.99 -0.47 119.26 123.40 1lkj h ALA 119 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1lkj h ALA 119 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1lkj h ALA 119 CO 0.01 0.58 -0.07 0.93 0.00 0.00 0.00 179.25 180.69 1lkj h GLU 120 N 0.88 -0.18 0.00 0.00 4.39 -1.70 -1.57 114.58 116.39 1lkj h GLU 120 Ca 0.19 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1lkj h GLU 120 Cb 0.30 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1lkj h GLU 120 CO -0.00 0.16 -0.12 0.28 -1.16 0.00 0.00 179.01 178.16 1lkj h VAL 121 N -0.55 0.97 -0.15 3.13 2.07 -1.43 -0.91 116.25 119.38 1lkj h VAL 121 Ca -0.02 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 1lkj h VAL 121 Cb 0.43 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1lkj h VAL 121 CO 0.03 0.12 -0.49 0.44 0.02 0.00 0.00 177.57 177.69 1lkj h ASP 122 N 0.00 0.70 0.73 0.57 5.19 -0.92 -0.96 116.42 121.72 1lkj h ASP 122 Ca -0.00 -0.60 -0.12 0.00 -0.62 0.00 0.00 57.03 55.69 1lkj h ASP 122 Cb 0.24 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1lkj h ASP 122 CO 0.02 1.18 -0.56 0.44 -3.12 0.00 0.00 179.24 177.19 1lkj h ASP 123 N 0.26 0.00 0.12 6.45 5.19 -0.89 -2.51 116.42 125.03 1lkj h ASP 123 Ca -0.02 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.15 1lkj h ASP 123 Cb 1.12 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.65 1lkj h ASP 123 CO 0.10 0.56 -1.03 0.24 -3.12 0.00 0.00 179.24 176.00 1lkj h MET 124 N 0.00 0.49 -0.21 3.56 2.86 -1.15 -3.07 114.93 117.41 1lkj h MET 124 Ca -0.01 -0.68 -0.08 0.00 -2.06 0.00 0.00 59.70 56.87 1lkj h MET 124 Cb 1.08 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 1lkj h MET 124 CO 0.07 1.30 -0.22 -0.07 1.06 0.00 0.00 176.91 179.05 1lkj h LEU 125 N 0.01 0.37 -0.52 1.22 3.38 -1.18 0.74 115.31 119.34 1lkj h LEU 125 Ca -0.16 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1lkj h LEU 125 Cb 1.75 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 1lkj h LEU 125 CO 0.20 0.61 -0.08 -0.09 0.09 0.00 0.00 178.44 179.16 1lkj h ARG 126 N 0.34 0.97 0.06 1.13 2.43 -1.51 0.53 114.38 118.34 1lkj h ARG 126 Ca 0.06 -0.35 -0.24 0.00 -0.81 0.00 0.00 59.98 58.63 1lkj h ARG 126 Cb 0.58 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1lkj h ARG 126 CO 0.04 1.02 -1.12 0.93 -1.51 0.00 0.00 179.97 179.34 1lkj h GLU 127 N 0.84 0.14 0.00 0.20 5.08 -1.41 -3.38 114.58 116.05 1lkj h GLU 127 Ca 0.14 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1lkj h GLU 127 Cb 0.64 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1lkj h GLU 127 CO 0.04 1.11 -0.15 0.28 -1.00 0.00 0.00 179.01 179.29 1lkj h VAL 128 N 0.04 0.29 -2.70 3.13 2.07 -0.78 -3.45 116.25 114.86 1lkj h VAL 128 Ca -0.07 -1.24 -0.53 0.00 0.82 0.00 0.00 66.70 65.68 1lkj h VAL 128 Cb 1.86 0.57 0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1lkj h VAL 128 CO 0.17 0.10 0.98 -0.55 0.02 0.00 0.00 177.57 178.29 1lkj s SER 129 N -5.73 6.53 -0.32 0.57 0.15 0.18 -4.90 113.70 110.18 1lkj s SER 129 Ca -0.07 2.63 0.14 0.00 0.70 0.00 0.00 55.95 59.36 1lkj s SER 129 Cb 0.00 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.20 1lkj s SER 129 CO 0.16 -0.90 1.09 -0.90 1.20 0.00 0.00 173.24 173.89 1lkj n ASP 130 N 4.87 2.96 -2.30 5.45 5.75 -1.26 -4.71 116.55 127.31 1lkj n ASP 130 Ca 0.16 -2.95 -0.04 0.00 -0.01 0.00 0.00 54.79 51.94 1lkj n ASP 130 Cb 0.39 -0.46 0.01 0.00 -1.03 0.00 0.00 41.12 40.03 1lkj n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lkj n GLY 131 N -0.46 -1.25 0.55 6.12 0.00 -1.26 -4.99 105.19 103.90 1lkj n GLY 131 Ca 0.23 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.32 0.00 0.00 1.61 7.64 -1.26 -5.04 113.62 116.25 1lkj n SER 132 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1lkj n SER 132 Cb 0.26 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.50 1.38 3.63 0.23 0.00 -1.26 -5.08 105.19 102.59 1lkj n GLY 133 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.82 0.80 -0.04 1.61 2.02 -1.26 -4.67 118.70 116.34 1lkj s GLU 134 Ca 0.00 1.04 0.03 0.00 0.02 0.00 0.00 54.97 56.06 1lkj s GLU 134 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1lkj s GLU 134 CO 0.00 -0.11 -0.12 0.42 0.02 0.00 0.00 175.26 175.47 1lkj s ILE 135 N 0.68 1.00 -0.01 -1.63 1.01 -0.10 -4.89 121.20 117.26 1lkj s ILE 135 Ca -0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 1lkj s ILE 135 Cb -0.05 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1lkj s ILE 135 CO -0.04 0.31 0.98 0.21 0.00 0.00 0.00 174.94 176.40 1lkj s ASN 136 N 0.25 7.36 0.12 3.58 3.84 -1.26 -1.79 114.94 127.05 1lkj s ASN 136 Ca -0.05 1.65 0.18 0.00 0.21 0.00 0.00 52.86 54.85 1lkj s ASN 136 Cb -0.11 -2.57 0.78 0.00 -0.55 0.00 0.00 41.25 38.80 1lkj s ASN 136 CO 0.01 -0.27 1.57 2.30 -2.79 0.00 0.00 177.10 177.92 1lkj n ILE 137 N 3.95 0.95 0.16 -5.21 -5.35 -0.83 -3.61 119.36 109.43 1lkj n ILE 137 Ca 0.06 0.26 -0.06 0.00 -0.27 0.00 0.00 62.75 62.74 1lkj n ILE 137 Cb 0.51 -1.11 -0.03 0.00 -1.74 0.00 0.00 39.64 37.27 1lkj n ILE 137 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1lkj h GLN 138 N 0.00 -0.39 -0.76 6.28 4.15 -1.91 0.30 115.11 122.77 1lkj h GLN 138 Ca 0.00 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.53 1lkj h GLN 138 Cb 0.29 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.00 1lkj h GLN 138 CO 0.00 -0.26 0.42 -0.56 -1.93 0.00 0.00 178.83 176.50 1lkj h GLN 139 N -0.42 0.71 -0.45 1.69 3.07 -1.98 -1.87 115.11 115.87 1lkj h GLN 139 Ca -0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 1lkj h GLN 139 Cb 0.31 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.69 1lkj h GLN 139 CO 0.07 0.47 0.27 0.35 0.09 0.00 0.00 178.83 180.08 1lkj h PHE 140 N 0.73 0.59 -0.34 0.06 3.04 -1.61 -0.22 116.94 119.19 1lkj h PHE 140 Ca 0.36 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.31 1lkj h PHE 140 Cb 0.29 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1lkj h PHE 140 CO -0.07 0.41 0.21 0.00 -2.02 0.00 0.00 178.31 176.84 1lkj h ALA 141 N 1.13 1.73 0.03 2.41 0.00 0.34 -1.94 119.26 122.95 1lkj h ALA 141 Ca 0.16 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 1lkj h ALA 141 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1lkj h ALA 141 CO -0.03 0.24 -0.98 0.00 0.00 0.00 0.00 179.25 178.48 1lkj h ALA 142 N 1.77 0.37 -0.42 0.00 0.00 -0.65 -2.64 119.26 117.69 1lkj h ALA 142 Ca 0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1lkj h ALA 142 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1lkj h ALA 142 CO -0.02 0.90 0.09 -0.07 0.00 0.00 0.00 179.25 180.15 1lkj h LEU 143 N 0.14 0.58 0.06 0.00 3.38 -0.30 -2.66 115.31 116.51 1lkj h LEU 143 Ca -0.07 -0.09 -0.24 0.00 0.09 0.00 0.00 57.88 57.56 1lkj h LEU 143 Cb 1.64 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1lkj h LEU 143 CO 0.16 0.59 -1.12 -0.07 0.09 0.00 0.00 178.44 178.09 1lkj h LEU 144 N 0.61 0.22 -9.64 1.67 3.38 -1.46 -3.44 115.31 106.65 1lkj h LEU 144 Ca 0.14 -0.23 -0.52 0.00 0.09 0.00 0.00 57.88 57.36 1lkj h LEU 144 Cb 0.25 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1lkj h LEU 144 CO -0.00 1.18 0.50 -0.55 0.09 0.00 0.00 178.44 179.66 1lkj s SER 145 N -6.93 7.20 0.00 -0.43 0.15 -1.00 -5.13 113.70 107.56 1lkj s SER 145 Ca -0.02 2.11 0.31 0.00 0.70 0.00 0.00 55.95 59.05 1lkj s SER 145 Cb 0.09 -2.60 1.63 0.00 -1.71 0.00 0.00 66.02 63.42 1lkj s SER 145 CO 0.85 -0.29 2.07 0.29 1.20 0.00 0.00 173.24 177.37