#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgr s PRO 2 N 0.00 2.16 -0.23 0.52 0.04 -1.26 -5.01 135.00 131.22 2kgr s PRO 2 Ca 0.00 1.17 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 2kgr s PRO 2 Cb 0.00 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2kgr s PRO 2 CO 0.00 -1.71 0.49 0.08 0.04 0.00 0.00 177.00 175.90 2kgr s VAL 3 N -2.90 5.11 0.00 -0.36 1.01 -1.26 -4.76 120.40 117.24 2kgr s VAL 3 Ca 0.61 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2kgr s VAL 3 Cb -0.17 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2kgr s VAL 3 CO 0.56 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.81 2kgr n ALA 4 N 5.10 0.00 -1.13 5.51 0.00 -1.26 -4.89 120.51 123.84 2kgr n ALA 4 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 2kgr n ALA 4 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 2kgr n ALA 4 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kgr n GLU 5 N -0.06 -1.27 -2.13 0.00 4.07 -1.26 -3.95 120.64 116.04 2kgr n GLU 5 Ca 0.00 0.55 -0.02 0.00 -0.06 0.00 0.00 57.16 57.62 2kgr n GLU 5 Cb 0.00 -4.61 -0.02 0.00 -0.06 0.00 0.00 31.44 26.75 2kgr n GLU 5 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 2kgr n TRP 6 N -2.39 -3.30 -1.35 4.31 -0.00 -1.23 -4.77 117.44 108.71 2kgr n TRP 6 Ca -0.04 1.94 -0.40 0.00 -0.00 0.00 0.00 57.50 59.00 2kgr n TRP 6 Cb 0.39 -3.26 -0.03 0.00 -0.00 0.00 0.00 31.31 28.41 2kgr n TRP 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2kgr n ALA 7 N 1.25 4.91 -3.74 5.87 0.00 0.61 -4.77 120.51 124.63 2kgr n ALA 7 Ca -0.17 -3.39 -0.14 0.00 0.00 0.00 0.00 53.44 49.73 2kgr n ALA 7 Cb 0.26 -3.49 -0.15 0.00 0.00 0.00 0.00 19.45 16.08 2kgr n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kgr s VAL 8 N 3.73 -0.07 0.39 0.00 0.11 -1.26 -4.85 120.40 118.45 2kgr s VAL 8 Ca 0.53 0.20 -0.26 0.00 -2.93 0.00 0.00 61.98 59.52 2kgr s VAL 8 Cb 0.14 -0.22 -0.11 0.00 -1.53 0.00 0.00 36.38 34.66 2kgr s VAL 8 CO -0.01 0.08 1.17 -2.65 -3.33 0.00 0.00 175.10 170.36 2kgr n PRO 9 N 4.30 1.73 -0.09 1.54 -0.02 -1.26 -4.79 135.00 136.41 2kgr n PRO 9 Ca -0.25 0.61 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2kgr n PRO 9 Cb 0.51 -2.20 0.34 0.00 -0.02 0.00 0.00 33.50 32.13 2kgr n PRO 9 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2kgr h GLN 10 N 2.02 0.72 -0.70 -0.52 3.07 -1.98 -0.85 115.11 116.87 2kgr h GLN 10 Ca -0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 58.65 58.22 2kgr h GLN 10 Cb 1.31 -0.16 -0.03 0.00 0.08 0.00 0.00 27.48 28.68 2kgr h GLN 10 CO 0.60 0.50 0.37 0.77 0.09 0.00 0.00 178.83 181.16 2kgr h SER 11 N 0.74 0.88 -0.49 0.06 0.02 -2.00 -0.97 113.55 111.79 2kgr h SER 11 Ca 0.20 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 2kgr h SER 11 Cb -0.04 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 2kgr h SER 11 CO -0.04 0.73 0.00 0.28 -1.14 0.00 0.00 176.83 176.67 2kgr h SER 12 N 0.96 0.84 -0.87 3.07 0.02 -1.69 -1.21 113.55 114.67 2kgr h SER 12 Ca 0.24 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2kgr h SER 12 Cb 0.05 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.32 2kgr h SER 12 CO -0.04 0.94 0.57 0.03 -1.14 0.00 0.00 176.83 177.19 2kgr h ARG 13 N 0.71 1.05 -0.06 3.45 3.08 -0.74 -0.55 114.38 121.32 2kgr h ARG 13 Ca 0.14 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 2kgr h ARG 13 Cb 0.50 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2kgr h ARG 13 CO 0.02 0.69 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.44 2kgr h LEU 14 N 1.08 0.20 -0.58 3.04 3.38 -0.95 -2.03 115.31 119.44 2kgr h LEU 14 Ca 0.35 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2kgr h LEU 14 Cb 0.03 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2kgr h LEU 14 CO -0.10 0.72 0.30 0.50 0.09 0.00 0.00 178.44 179.94 2kgr h LYS 15 N -0.32 0.83 -0.00 1.13 3.64 -0.82 -1.75 116.57 119.28 2kgr h LYS 15 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2kgr h LYS 15 Cb 0.69 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2kgr h LYS 15 CO 0.02 0.66 -0.21 0.66 -2.27 0.00 0.00 179.45 178.31 2kgr n TYR 16 N -4.56 0.00 0.12 1.91 4.01 -0.25 -2.24 117.16 116.16 2kgr n TYR 16 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.76 2kgr n TYR 16 Cb 0.11 -0.25 0.09 0.00 -0.31 0.00 0.00 39.34 38.98 2kgr n TYR 16 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2kgr h ARG 17 N 0.41 0.00 0.00 -0.72 1.12 -0.59 0.46 114.38 115.06 2kgr h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2kgr h ARG 17 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 2kgr h ARG 17 CO 0.00 0.67 0.00 1.04 -3.11 0.00 0.00 179.97 178.57 2kgr n GLN 18 N -3.52 0.20 -2.56 0.20 6.02 -0.73 0.78 117.38 117.76 2kgr n GLN 18 Ca -0.00 0.35 -0.03 0.00 -0.01 0.00 0.00 57.00 57.31 2kgr n GLN 18 Cb 0.71 -1.82 0.11 0.00 1.02 0.00 0.00 30.24 30.26 2kgr n GLN 18 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2kgr n LEU 19 N -2.18 -1.40 0.00 1.08 7.94 -1.18 -0.07 117.00 121.19 2kgr n LEU 19 Ca 0.03 -2.99 0.00 0.00 -1.11 0.00 0.00 56.01 51.94 2kgr n LEU 19 Cb 0.28 0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.43 2kgr n LEU 19 CO 0.22 1.66 0.18 0.33 -1.11 0.00 0.00 177.39 178.67 2kgr n PHE 20 N -1.16 0.00 -0.33 1.96 7.35 0.16 -4.87 117.46 120.58 2kgr n PHE 20 Ca -0.13 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.74 2kgr n PHE 20 Cb 0.83 0.00 0.39 0.00 0.35 0.00 0.00 39.48 41.04 2kgr n PHE 20 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2kgr h ASN 21 N 0.00 0.47 -0.02 -2.13 -0.73 0.65 0.72 115.58 114.54 2kgr h ASN 21 Ca 0.00 0.17 0.01 0.00 1.87 0.00 0.00 56.30 58.34 2kgr h ASN 21 Cb 0.00 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.70 2kgr h ASN 21 CO 0.00 -0.03 0.05 0.28 -0.37 0.00 0.00 177.43 177.36 2kgr h SER 22 N 0.42 0.00 -0.62 1.15 0.02 -0.74 0.89 113.55 114.66 2kgr h SER 22 Ca 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 2kgr h SER 22 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2kgr h SER 22 CO -0.55 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 176.55 2kgr n HIS 23 N -3.51 1.18 -3.25 3.45 8.25 0.25 -4.93 115.22 116.66 2kgr n HIS 23 Ca -0.02 -0.58 -0.38 0.00 -0.26 0.00 0.00 57.72 56.47 2kgr n HIS 23 Cb 0.13 -0.15 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 2kgr n HIS 23 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kgr s ASP 24 N -1.01 6.72 0.00 0.41 -1.08 0.30 -4.94 116.67 117.07 2kgr s ASP 24 Ca 0.47 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 53.35 2kgr s ASP 24 Cb 0.28 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 2kgr s ASP 24 CO 0.25 -0.05 0.00 0.29 0.52 0.00 0.00 175.17 176.18 2kgr n LYS 25 N 3.89 0.00 -3.76 4.34 5.02 -1.26 -5.04 118.16 121.35 2kgr n LYS 25 Ca -0.06 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.96 2kgr n LYS 25 Cb 0.51 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.36 2kgr n LYS 25 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kgr s THR 26 N -0.71 0.66 0.40 -0.18 -4.23 -1.26 -5.09 115.64 105.23 2kgr s THR 26 Ca 0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2kgr s THR 26 Cb 0.00 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.71 2kgr s THR 26 CO 0.00 -0.19 0.00 1.15 -0.54 0.00 0.00 174.62 175.04 2kgr n MET 27 N 5.00 -4.09 -1.71 3.99 0.00 -1.26 -4.99 117.12 114.06 2kgr n MET 27 Ca -0.09 3.01 -0.01 0.00 0.00 0.00 0.00 57.70 60.61 2kgr n MET 27 Cb 0.47 -3.47 -0.00 0.00 0.00 0.00 0.00 33.22 30.22 2kgr n MET 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2kgr n SER 28 N -0.36 -2.37 -2.99 3.17 7.64 -1.26 -4.80 113.62 112.64 2kgr n SER 28 Ca 0.00 0.26 -0.14 0.00 1.01 0.00 0.00 58.87 60.00 2kgr n SER 28 Cb 0.00 -1.81 -0.02 0.00 -1.01 0.00 0.00 64.21 61.37 2kgr n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kgr n GLY 29 N 0.23 2.57 3.18 0.23 0.00 -1.26 -4.74 105.19 105.41 2kgr n GLY 29 Ca -0.04 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 2kgr n GLY 29 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kgr s HIS 30 N 3.57 0.12 0.21 1.61 0.00 -1.26 -3.51 115.29 116.03 2kgr s HIS 30 Ca 0.28 -0.44 0.05 0.00 -3.00 0.00 0.00 55.06 51.95 2kgr s HIS 30 Cb 0.08 -0.06 -0.03 0.00 -4.00 0.00 0.00 32.58 28.57 2kgr s HIS 30 CO -0.02 -0.47 0.30 -0.51 -1.00 0.00 0.00 174.74 173.04 2kgr s LEU 31 N -2.41 4.22 0.68 5.38 1.43 0.15 -4.94 118.68 123.18 2kgr s LEU 31 Ca -0.01 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2kgr s LEU 31 Cb 0.02 -2.77 0.09 0.00 0.03 0.00 0.00 46.19 43.55 2kgr s LEU 31 CO -0.07 -0.02 0.95 0.42 0.23 0.00 0.00 176.35 177.86 2kgr s THR 32 N -1.92 2.32 0.06 5.49 -4.23 -1.26 -1.41 115.64 114.69 2kgr s THR 32 Ca 0.34 -0.50 -0.20 0.00 -1.18 0.00 0.00 61.69 60.15 2kgr s THR 32 Cb -0.09 -2.82 -0.09 0.00 1.34 0.00 0.00 72.50 70.84 2kgr s THR 32 CO 0.28 0.00 1.31 1.23 -0.54 0.00 0.00 174.62 176.90 2kgr h GLY 33 N -0.44 -1.15 0.22 3.99 0.00 -1.81 0.49 103.07 104.37 2kgr h GLY 33 Ca -0.40 0.56 0.14 0.00 0.00 0.00 0.00 47.33 47.63 2kgr h GLY 33 CO 0.48 -0.35 0.40 -2.55 0.00 0.00 0.00 176.54 174.52 2kgr h PRO 34 N -0.46 0.56 -0.20 4.80 0.11 -1.96 0.87 132.00 135.72 2kgr h PRO 34 Ca -0.01 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2kgr h PRO 34 Cb 0.44 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2kgr h PRO 34 CO -0.13 0.37 0.08 1.96 -0.21 0.00 0.00 178.00 180.07 2kgr h GLN 35 N 0.58 0.31 -0.32 1.05 4.20 -1.88 0.16 115.11 119.21 2kgr h GLN 35 Ca 0.44 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.10 2kgr h GLN 35 Cb 0.63 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2kgr h GLN 35 CO -0.37 0.38 0.20 0.00 -0.67 0.00 0.00 178.83 178.37 2kgr h ALA 36 N 0.92 0.41 -0.83 3.87 0.00 -0.30 -2.75 119.26 120.58 2kgr h ALA 36 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2kgr h ALA 36 Cb 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2kgr h ALA 36 CO -0.00 -0.10 0.39 0.00 0.00 0.00 0.00 179.25 179.53 2kgr h ARG 37 N 0.42 1.20 -0.49 0.00 3.08 -0.61 -1.00 114.38 116.98 2kgr h ARG 37 Ca 0.12 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2kgr h ARG 37 Cb 0.00 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 2kgr h ARG 37 CO -0.02 0.93 0.32 1.15 -1.07 0.00 0.00 179.97 181.27 2kgr h THR 38 N 1.19 1.11 -0.44 2.04 2.02 -0.48 0.18 112.91 118.53 2kgr h THR 38 Ca 0.28 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.11 2kgr h THR 38 Cb 0.14 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2kgr h THR 38 CO -0.03 0.12 -0.25 0.40 0.37 0.00 0.00 175.52 176.13 2kgr h ILE 39 N 0.64 1.27 -0.76 3.11 2.04 -1.25 -2.75 117.51 119.82 2kgr h ILE 39 Ca 0.18 -1.40 0.05 0.00 1.00 0.00 0.00 64.86 64.69 2kgr h ILE 39 Cb -0.06 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 2kgr h ILE 39 CO -0.05 0.48 0.46 -0.07 0.00 0.00 0.00 178.15 178.97 2kgr h LEU 40 N 0.80 0.72 -1.53 1.44 3.38 -0.58 -1.28 115.31 118.26 2kgr h LEU 40 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kgr h LEU 40 Cb 0.81 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2kgr h LEU 40 CO 0.07 0.47 0.00 0.24 0.09 0.00 0.00 178.44 179.31 2kgr h MET 41 N 0.86 0.00 0.00 1.13 2.86 -0.44 -2.35 114.93 116.99 2kgr h MET 41 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2kgr h MET 41 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2kgr h MET 41 CO -0.16 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.85 2kgr n GLN 42 N -2.90 0.98 0.00 1.72 6.02 -0.48 -4.18 117.38 118.54 2kgr n GLN 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kgr n GLN 42 Cb 0.25 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2kgr n GLN 42 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kgr n SER 43 N -0.92 0.00 0.00 1.08 7.64 -0.88 -5.04 113.62 115.49 2kgr n SER 43 Ca 0.20 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2kgr n SER 43 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2kgr n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kgr n SER 44 N -0.25 0.00 -4.77 6.43 7.64 -1.26 -5.15 113.62 116.26 2kgr n SER 44 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2kgr n SER 44 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kgr n SER 44 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kgr s LEU 45 N 0.00 4.06 0.96 -3.43 1.43 -1.26 -5.04 118.68 115.41 2kgr s LEU 45 Ca 0.00 2.51 -0.16 0.00 -1.03 0.00 0.00 54.13 55.45 2kgr s LEU 45 Cb 0.00 -4.12 0.20 0.00 0.03 0.00 0.00 46.19 42.30 2kgr s LEU 45 CO 0.00 -1.00 1.32 -2.16 0.23 0.00 0.00 176.35 174.74 2kgr s PRO 46 N -2.55 0.62 0.32 1.29 0.04 -1.26 -4.76 135.00 128.70 2kgr s PRO 46 Ca 0.62 -0.39 0.03 0.00 0.04 0.00 0.00 61.00 61.30 2kgr s PRO 46 Cb -0.34 -1.84 0.61 0.00 0.04 0.00 0.00 34.50 32.97 2kgr s PRO 46 CO 0.42 -2.43 1.92 1.96 0.04 0.00 0.00 177.00 178.91 2kgr h GLN 47 N -1.65 0.90 -0.37 4.56 1.08 -1.97 -0.02 115.11 117.63 2kgr h GLN 47 Ca -0.44 -0.05 0.05 0.00 -1.45 0.00 0.00 58.65 56.75 2kgr h GLN 47 Cb 1.24 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.42 2kgr h GLN 47 CO 0.38 0.60 0.10 0.00 -0.95 0.00 0.00 178.83 178.96 2kgr h ALA 48 N 1.54 0.41 -0.14 3.87 0.00 -1.99 0.36 119.26 123.32 2kgr h ALA 48 Ca 0.37 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 55.13 2kgr h ALA 48 Cb 0.25 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kgr h ALA 48 CO -0.14 -0.30 -0.77 1.96 0.00 0.00 0.00 179.25 180.00 2kgr h GLN 49 N 0.24 0.72 -0.42 0.00 1.08 -1.75 -2.73 115.11 112.24 2kgr h GLN 49 Ca 0.17 -0.59 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 2kgr h GLN 49 Cb 0.18 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 2kgr h GLN 49 CO -0.20 1.20 0.21 -0.07 -0.95 0.00 0.00 178.83 179.02 2kgr h LEU 50 N 0.49 0.54 -0.88 1.46 3.38 -0.58 -1.14 115.31 118.59 2kgr h LEU 50 Ca -0.05 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2kgr h LEU 50 Cb 1.39 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2kgr h LEU 50 CO 0.15 0.51 -0.10 0.00 0.09 0.00 0.00 178.44 179.09 2kgr h ALA 51 N 1.06 1.05 -0.06 1.53 0.00 -0.34 0.00 119.26 122.50 2kgr h ALA 51 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kgr h ALA 51 Cb 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2kgr h ALA 51 CO -0.02 0.58 0.03 1.03 0.00 0.00 0.00 179.25 180.87 2kgr h SER 52 N 0.66 0.08 -0.53 0.00 0.87 -1.14 0.13 113.55 113.61 2kgr h SER 52 Ca 0.12 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2kgr h SER 52 Cb 0.56 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2kgr h SER 52 CO 0.03 0.18 0.12 0.40 -0.53 0.00 0.00 176.83 177.04 2kgr h ILE 53 N -0.03 1.25 -0.24 2.23 2.04 -1.07 -1.32 117.51 120.36 2kgr h ILE 53 Ca 0.02 -0.88 0.03 0.00 1.00 0.00 0.00 64.86 65.03 2kgr h ILE 53 Cb 0.12 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2kgr h ILE 53 CO -0.00 0.32 0.08 -0.25 0.00 0.00 0.00 178.15 178.30 2kgr h TRP 54 N 0.75 0.14 -0.38 1.37 2.91 -0.83 0.18 115.95 120.09 2kgr h TRP 54 Ca 0.17 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 2kgr h TRP 54 Cb 0.35 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.95 2kgr h TRP 54 CO 0.02 0.06 0.21 -0.97 -1.03 0.00 0.00 178.44 176.74 2kgr h ASN 55 N 0.19 0.45 0.08 2.65 -0.00 -0.51 0.58 115.58 119.01 2kgr h ASN 55 Ca 0.11 -0.02 -0.21 0.00 -0.00 0.00 0.00 56.30 56.17 2kgr h ASN 55 Cb 0.08 -0.11 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 2kgr h ASN 55 CO -0.11 0.36 -0.79 -0.07 -0.00 0.00 0.00 177.43 176.82 2kgr h LEU 56 N 0.52 0.71 0.07 0.34 3.38 -0.53 -3.37 115.31 116.42 2kgr h LEU 56 Ca 0.14 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 2kgr h LEU 56 Cb 0.00 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.55 2kgr h LEU 56 CO -0.02 1.25 -0.46 -1.28 0.09 0.00 0.00 178.44 178.02 2kgr h SER 57 N 0.39 0.29 -3.15 -0.43 0.87 0.26 -3.44 113.55 108.34 2kgr h SER 57 Ca -0.05 -0.92 -0.57 0.00 -1.23 0.00 0.00 61.79 59.01 2kgr h SER 57 Cb 1.39 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.20 2kgr h SER 57 CO 0.15 1.19 0.87 -0.62 -0.53 0.00 0.00 176.83 177.89 2kgr s ASP 58 N -6.62 6.92 -0.04 6.23 -1.08 0.11 -4.89 116.67 117.30 2kgr s ASP 58 Ca -0.16 1.27 0.18 0.00 -0.52 0.00 0.00 52.55 53.32 2kgr s ASP 58 Cb -0.00 -2.54 -0.21 0.00 -1.46 0.00 0.00 42.92 38.71 2kgr s ASP 58 CO 0.77 -0.86 0.54 -0.38 0.52 0.00 0.00 175.17 175.77 2kgr n ILE 59 N 5.73 1.10 0.41 4.11 2.08 -1.26 -4.35 119.36 127.19 2kgr n ILE 59 Ca 0.13 -0.72 0.11 0.00 0.56 0.00 0.00 62.75 62.83 2kgr n ILE 59 Cb 0.46 -0.58 -0.15 0.00 -0.75 0.00 0.00 39.64 38.63 2kgr n ILE 59 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2kgr n ASP 60 N -2.77 0.42 -0.68 4.38 2.03 -1.26 -4.95 116.55 113.72 2kgr n ASP 60 Ca -0.16 -0.41 -0.08 0.00 0.52 0.00 0.00 54.79 54.66 2kgr n ASP 60 Cb 0.91 1.58 -0.03 0.00 -0.72 0.00 0.00 41.12 42.86 2kgr n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kgr n GLN 61 N -1.94 -0.58 0.08 -0.67 6.02 -1.26 -4.92 117.38 114.11 2kgr n GLN 61 Ca -0.01 0.71 -0.07 0.00 -0.01 0.00 0.00 57.00 57.63 2kgr n GLN 61 Cb 0.47 -4.57 0.06 0.00 1.02 0.00 0.00 30.24 27.22 2kgr n GLN 61 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 2kgr h ASP 62 N 0.00 0.27 0.00 1.08 3.58 -1.93 -3.47 116.42 115.95 2kgr h ASP 62 Ca -0.17 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2kgr h ASP 62 Cb 0.65 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kgr h ASP 62 CO 0.24 0.90 0.00 0.61 -2.88 0.00 0.00 179.24 178.11 2kgr n GLY 63 N 0.54 0.64 3.46 -0.78 0.00 -1.26 -5.00 105.19 102.79 2kgr n GLY 63 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2kgr n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgr s LYS 64 N -0.80 2.46 -0.21 1.61 3.01 -1.26 -2.11 119.74 122.44 2kgr s LYS 64 Ca 0.00 -0.72 -0.05 0.00 -1.01 0.00 0.00 55.97 54.18 2kgr s LYS 64 Cb 0.00 -2.35 -0.02 0.00 -1.01 0.00 0.00 37.83 34.45 2kgr s LYS 64 CO 0.00 0.62 0.01 -0.51 0.51 0.00 0.00 175.35 175.98 2kgr s LEU 65 N -0.75 3.25 0.00 3.17 1.43 -0.50 -4.93 118.68 120.35 2kgr s LEU 65 Ca 0.12 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2kgr s LEU 65 Cb -0.11 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2kgr s LEU 65 CO 0.01 0.03 0.00 0.35 0.23 0.00 0.00 176.35 176.96 2kgr n THR 66 N 4.48 0.00 -0.05 5.49 -2.24 -1.26 0.29 114.28 120.99 2kgr n THR 66 Ca -0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 2kgr n THR 66 Cb 0.52 -1.86 -0.06 0.00 -2.10 0.00 0.00 70.33 66.82 2kgr n THR 66 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kgr h ALA 67 N -2.00 0.21 -0.26 6.98 0.00 -1.96 0.49 119.26 122.72 2kgr h ALA 67 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2kgr h ALA 67 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kgr h ALA 67 CO 0.00 -0.04 -0.29 0.93 0.00 0.00 0.00 179.25 179.85 2kgr h GLU 68 N -0.01 0.53 -0.33 0.00 5.08 -1.94 -1.03 114.58 116.89 2kgr h GLU 68 Ca 0.04 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 2kgr h GLU 68 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2kgr h GLU 68 CO 0.01 0.77 -0.43 0.93 -1.00 0.00 0.00 179.01 179.29 2kgr h GLU 69 N 0.46 0.84 -0.33 2.33 3.07 -1.90 -2.20 114.58 116.85 2kgr h GLU 69 Ca 0.06 -0.46 -0.01 0.00 -0.50 0.00 0.00 59.36 58.44 2kgr h GLU 69 Cb 0.74 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 2kgr h GLU 69 CO 0.06 1.10 0.15 0.35 -1.40 0.00 0.00 179.01 179.27 2kgr h PHE 70 N 0.68 0.49 -0.90 4.33 3.57 -0.58 0.49 116.94 125.02 2kgr h PHE 70 Ca 0.05 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2kgr h PHE 70 Cb 1.01 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2kgr h PHE 70 CO 0.06 0.44 0.59 0.82 -2.23 0.00 0.00 178.31 177.99 2kgr h ILE 71 N 0.40 1.20 0.15 1.41 2.04 -1.15 0.78 117.51 122.35 2kgr h ILE 71 Ca 0.11 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 2kgr h ILE 71 Cb 0.14 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 2kgr h ILE 71 CO -0.01 0.22 -0.07 0.25 0.00 0.00 0.00 178.15 178.53 2kgr h LEU 72 N 1.19 -0.18 -0.32 1.44 5.85 -1.03 -0.18 115.31 122.09 2kgr h LEU 72 Ca 0.34 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2kgr h LEU 72 Cb -0.09 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2kgr h LEU 72 CO -0.09 -0.03 0.08 0.00 -0.34 0.00 0.00 178.44 178.07 2kgr h ALA 73 N 0.52 0.35 0.00 1.25 0.00 -0.49 -1.01 119.26 119.88 2kgr h ALA 73 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2kgr h ALA 73 Cb 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kgr h ALA 73 CO 0.03 -0.32 -0.34 0.52 0.00 0.00 0.00 179.25 179.14 2kgr h MET 74 N 0.21 0.00 -0.32 0.00 2.86 -0.80 0.14 114.93 117.02 2kgr h MET 74 Ca 0.15 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 2kgr h MET 74 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2kgr h MET 74 CO -0.17 0.34 -0.27 1.25 1.06 0.00 0.00 176.91 179.12 2kgr h HIS 75 N 0.00 0.73 -0.16 -0.22 6.17 -0.25 0.91 115.15 122.34 2kgr h HIS 75 Ca -0.00 -0.17 -0.17 0.00 0.71 0.00 0.00 60.37 60.74 2kgr h HIS 75 Cb 0.63 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.39 2kgr h HIS 75 CO 0.00 0.85 -0.60 -0.07 0.71 0.00 0.00 177.93 178.82 2kgr h LEU 76 N 0.56 0.60 -0.19 0.26 3.38 -0.36 -2.39 115.31 117.16 2kgr h LEU 76 Ca 0.07 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2kgr h LEU 76 Cb 0.75 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2kgr h LEU 76 CO 0.06 1.06 -0.03 0.40 0.09 0.00 0.00 178.44 180.02 2kgr h ILE 77 N 0.40 0.83 -1.01 1.22 1.08 -0.37 -1.38 117.51 118.29 2kgr h ILE 77 Ca -0.00 -0.01 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 2kgr h ILE 77 Cb 1.15 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 35.65 2kgr h ILE 77 CO 0.11 0.00 0.66 -0.78 -0.69 0.00 0.00 178.15 177.45 2kgr h ASP 78 N 0.02 1.10 0.03 1.72 3.58 -0.71 0.45 116.42 122.63 2kgr h ASP 78 Ca 0.09 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kgr h ASP 78 Cb 0.13 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.93 2kgr h ASP 78 CO -0.18 0.75 -0.02 0.58 -2.88 0.00 0.00 179.24 177.50 2kgr h VAL 79 N 1.27 1.13 -0.15 2.25 2.07 -1.10 -2.54 116.25 119.18 2kgr h VAL 79 Ca 0.40 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 2kgr h VAL 79 Cb 0.01 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2kgr h VAL 79 CO -0.13 0.13 -0.32 0.00 0.02 0.00 0.00 177.57 177.28 2kgr h ALA 80 N 0.69 1.18 -0.07 1.67 0.00 -0.88 -1.89 119.26 119.95 2kgr h ALA 80 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2kgr h ALA 80 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kgr h ALA 80 CO 0.01 0.54 0.06 1.98 0.00 0.00 0.00 179.25 181.84 2kgr h MET 81 N 0.27 0.00 -0.19 0.00 -1.53 0.03 0.79 114.93 114.30 2kgr h MET 81 Ca 0.04 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2kgr h MET 81 Cb 0.70 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.75 2kgr h MET 81 CO 0.05 0.00 0.00 0.45 0.14 0.00 0.00 176.91 177.55 2kgr n SER 82 N -4.10 1.41 0.00 1.39 2.88 -0.73 -4.88 113.62 109.59 2kgr n SER 82 Ca -0.01 -1.79 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 2kgr n SER 82 Cb 0.17 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2kgr n SER 82 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kgr n GLY 83 N 1.02 0.64 3.89 0.46 0.00 0.27 -5.06 105.19 106.41 2kgr n GLY 83 Ca 0.13 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 2kgr n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kgr s GLN 84 N -2.49 3.36 0.53 1.61 -1.52 -1.12 -5.03 119.66 115.01 2kgr s GLN 84 Ca 0.00 -0.41 -0.17 0.00 -1.95 0.00 0.00 55.36 52.83 2kgr s GLN 84 Cb 0.00 -3.03 -0.07 0.00 -0.22 0.00 0.00 33.01 29.70 2kgr s GLN 84 CO 0.00 0.64 1.02 -1.25 -0.25 0.00 0.00 175.29 175.45 2kgr s PRO 85 N -2.17 3.70 0.03 2.91 0.04 -1.26 -4.17 135.00 134.08 2kgr s PRO 85 Ca 0.30 1.14 -0.08 0.00 0.04 0.00 0.00 61.00 62.39 2kgr s PRO 85 Cb -0.13 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 2kgr s PRO 85 CO 0.22 -0.49 0.33 -0.51 0.04 0.00 0.00 177.00 176.58 2kgr s LEU 86 N -4.06 4.37 0.49 -3.56 1.43 -1.26 -4.93 118.68 111.17 2kgr s LEU 86 Ca 0.62 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 54.25 2kgr s LEU 86 Cb -0.13 -2.76 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 2kgr s LEU 86 CO 0.30 0.23 0.94 -2.16 0.23 0.00 0.00 176.35 175.89 2kgr s PRO 87 N -1.74 3.89 0.19 1.29 0.04 -1.26 -4.99 135.00 132.43 2kgr s PRO 87 Ca 0.29 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.19 2kgr s PRO 87 Cb -0.14 -2.19 0.09 0.00 0.04 0.00 0.00 34.50 32.30 2kgr s PRO 87 CO 0.16 -0.23 1.45 -1.35 0.04 0.00 0.00 177.00 177.07 2kgr h PRO 88 N 0.94 0.20 -5.19 0.56 0.11 -1.98 -3.45 132.00 123.18 2kgr h PRO 88 Ca -0.47 -0.19 -0.40 0.00 0.11 0.00 0.00 66.00 65.05 2kgr h PRO 88 Cb 1.19 0.05 -0.23 0.00 0.11 0.00 0.00 31.00 32.11 2kgr h PRO 88 CO 0.62 0.88 -0.78 0.08 -0.21 0.00 0.00 178.00 178.59 2kgr s VAL 89 N -3.41 1.01 -0.07 3.15 1.01 -1.26 -4.97 120.40 115.86 2kgr s VAL 89 Ca -0.03 -1.12 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 2kgr s VAL 89 Cb 0.11 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2kgr s VAL 89 CO 0.82 -0.15 0.09 -0.22 0.00 0.00 0.00 175.10 175.64 2kgr s LEU 90 N -1.43 4.04 0.60 3.92 2.96 -1.26 -5.10 118.68 122.41 2kgr s LEU 90 Ca -0.02 0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 54.01 2kgr s LEU 90 Cb -0.09 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2kgr s LEU 90 CO 0.02 0.35 1.10 -2.84 -1.32 0.00 0.00 176.35 173.66 2kgr s PRO 91 N -1.25 3.15 0.50 0.98 0.02 -1.26 -4.96 135.00 132.18 2kgr s PRO 91 Ca 0.18 1.41 0.16 0.00 0.02 0.00 0.00 61.00 62.77 2kgr s PRO 91 Cb -0.12 -2.00 1.21 0.00 0.02 0.00 0.00 34.50 33.62 2kgr s PRO 91 CO 0.07 -0.98 2.11 -1.35 -0.33 0.00 0.00 177.00 176.53 2kgr h PRO 92 N 0.58 0.10 0.00 5.54 0.11 -1.99 -2.21 132.00 134.13 2kgr h PRO 92 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2kgr h PRO 92 Cb 1.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2kgr h PRO 92 CO 0.56 0.07 -0.04 0.93 -0.21 0.00 0.00 178.00 179.31 2kgr h GLU 93 N 0.11 0.00 -0.01 1.05 3.07 -1.95 -0.91 114.58 115.93 2kgr h GLU 93 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2kgr h GLU 93 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2kgr h GLU 93 CO -0.01 0.04 -0.34 0.66 -1.40 0.00 0.00 179.01 177.97 2kgr n TYR 94 N -4.29 0.00 -3.22 4.33 4.02 -0.83 -0.28 117.16 116.89 2kgr n TYR 94 Ca -0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.47 2kgr n TYR 94 Cb 0.13 -0.08 -0.06 0.00 -0.02 0.00 0.00 39.34 39.30 2kgr n TYR 94 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2kgr s ILE 95 N -2.50 5.11 0.84 -0.72 1.01 -0.35 -4.82 121.20 119.77 2kgr s ILE 95 Ca 0.22 1.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.82 2kgr s ILE 95 Cb 0.19 -3.88 0.10 0.00 0.01 0.00 0.00 42.46 38.88 2kgr s ILE 95 CO 0.54 0.22 1.17 -2.84 0.00 0.00 0.00 174.94 174.03 2kgr s PRO 96 N 1.26 1.52 1.20 2.79 0.02 -1.26 -4.90 135.00 135.62 2kgr s PRO 96 Ca 0.27 1.60 -0.18 0.00 0.02 0.00 0.00 61.00 62.72 2kgr s PRO 96 Cb -0.16 -1.78 0.28 0.00 0.02 0.00 0.00 34.50 32.87 2kgr s PRO 96 CO 0.11 -2.27 1.06 -2.14 -0.33 0.00 0.00 177.00 173.43 2kgr s PRO 97 N -4.41 -1.18 0.00 5.54 0.02 -1.26 -4.09 135.00 129.62 2kgr s PRO 97 Ca 0.69 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.90 2kgr s PRO 97 Cb -0.25 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2kgr s PRO 97 CO 0.53 -3.74 0.00 0.43 -0.33 0.00 0.00 177.00 173.89 2kgr n SER 98 N -4.83 0.00 0.02 2.53 7.64 -1.26 -4.34 113.62 113.39 2kgr n SER 98 Ca 0.10 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.02 2kgr n SER 98 Cb 0.59 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.96 2kgr n SER 98 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2kgr n PHE 99 N 0.00 0.09 0.22 1.43 3.01 -1.26 -1.95 117.46 119.01 2kgr n PHE 99 Ca 0.00 0.04 0.06 0.00 1.01 0.00 0.00 57.45 58.56 2kgr n PHE 99 Cb 0.00 -0.57 0.51 0.00 -0.01 0.00 0.00 39.48 39.41 2kgr n PHE 99 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2kgr h ARG 100 N 0.00 0.00 0.00 -1.08 3.08 -1.76 -3.28 114.38 111.34 2kgr h ARG 100 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2kgr h ARG 100 Cb 0.10 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.94 2kgr h ARG 100 CO 0.00 0.20 -0.77 0.54 -1.07 0.00 0.00 179.97 178.87 2kgr n ARG 101 N -4.21 0.31 -0.02 0.04 1.74 -0.82 -4.80 116.66 108.89 2kgr n ARG 101 Ca -0.02 -1.98 0.09 0.00 -0.77 0.00 0.00 57.85 55.17 2kgr n ARG 101 Cb 0.26 -0.45 0.48 0.00 -1.02 0.00 0.00 32.46 31.73 2kgr n ARG 101 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2kgr n VAL 102 N 0.03 0.06 -3.44 1.55 0.24 -1.21 -4.78 118.33 110.77 2kgr n VAL 102 Ca 0.07 -0.10 -0.38 0.00 -2.04 0.00 0.00 64.34 61.89 2kgr n VAL 102 Cb 0.94 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 2kgr n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kgr s ARG 103 N -1.94 4.06 -0.45 7.34 1.04 -1.26 -5.02 118.95 122.72 2kgr s ARG 103 Ca 0.28 0.43 0.07 0.00 -1.04 0.00 0.00 55.73 55.47 2kgr s ARG 103 Cb 0.13 -3.28 0.25 0.00 -2.04 0.00 0.00 34.95 30.01 2kgr s ARG 103 CO 0.22 0.54 0.78 1.28 -0.04 0.00 0.00 175.30 178.08 2kgr n LEU 104 N 2.33 -1.84 -4.56 -1.89 4.77 -1.26 -5.06 117.00 109.49 2kgr n LEU 104 Ca -0.12 -3.80 -0.42 0.00 -0.03 0.00 0.00 56.01 51.64 2kgr n LEU 104 Cb 0.52 0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 42.38 2kgr n LEU 104 CO 0.39 2.03 1.67 -0.70 -1.33 0.00 0.00 177.39 179.45 2kgr s GLU 105 N 0.02 3.80 -0.14 3.23 2.12 -1.26 -4.59 118.70 121.88 2kgr s GLU 105 Ca 0.33 -1.64 0.18 0.00 0.36 0.00 0.00 54.97 54.19 2kgr s GLU 105 Cb 0.22 -5.40 0.35 0.00 0.26 0.00 0.00 34.13 29.56 2kgr s GLU 105 CO -0.19 -2.18 1.22 1.58 -0.54 0.00 0.00 175.26 175.15 2kgr n HIS 106 N 8.33 0.25 -4.81 5.30 -0.00 -1.26 -5.02 115.22 118.02 2kgr n HIS 106 Ca 0.40 -0.95 -0.32 0.00 0.46 0.00 0.00 57.72 57.30 2kgr n HIS 106 Cb 0.48 -0.19 -0.13 0.00 -0.12 0.00 0.00 29.99 30.03 2kgr n HIS 106 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kgr s HIS 107 N -2.82 2.65 -0.70 1.57 3.76 -1.26 -5.03 115.29 113.47 2kgr s HIS 107 Ca 0.34 -0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 2kgr s HIS 107 Cb 0.29 -1.57 0.29 0.00 1.11 0.00 0.00 32.58 32.71 2kgr s HIS 107 CO 0.05 0.21 0.99 -2.39 -0.85 0.00 0.00 174.74 172.74 2kgr n HIS 108 N 2.02 3.59 -0.28 1.40 1.44 -1.26 -4.94 115.22 117.18 2kgr n HIS 108 Ca -0.17 -3.80 -0.06 0.00 -2.01 0.00 0.00 57.72 51.68 2kgr n HIS 108 Cb 0.52 -0.66 0.06 0.00 0.12 0.00 0.00 29.99 30.03 2kgr n HIS 108 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kgr h HIS 109 N 3.88 1.12 -3.65 -1.40 6.17 -2.04 -3.38 115.15 115.86 2kgr h HIS 109 Ca 0.20 -0.07 -0.69 0.00 0.71 0.00 0.00 60.37 60.52 2kgr h HIS 109 Cb 0.57 -0.34 -0.28 0.00 2.52 0.00 0.00 27.41 29.88 2kgr h HIS 109 CO 0.84 0.84 -0.59 -1.58 0.71 0.00 0.00 177.93 178.15 2kgr s HIS 110 N -5.62 3.23 -2.00 5.26 5.04 -1.26 -5.34 115.29 114.61 2kgr s HIS 110 Ca -0.13 -1.27 0.32 0.00 -1.54 0.00 0.00 55.06 52.44 2kgr s HIS 110 Cb 0.15 -2.30 1.91 0.00 0.04 0.00 0.00 32.58 32.38 2kgr s HIS 110 CO 0.82 -0.69 2.23 1.58 -2.34 0.00 0.00 174.74 176.34