#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7k n GLU 1 N 0.00 3.41 -3.21 2.12 4.07 -1.26 -4.88 120.64 120.88 2i7k n GLU 1 Ca 0.00 -3.24 -0.45 0.00 -0.06 0.00 0.00 57.16 53.41 2i7k n GLU 1 Cb 0.00 -3.03 -0.01 0.00 -0.06 0.00 0.00 31.44 28.35 2i7k n GLU 1 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2i7k s GLU 2 N 1.20 4.05 0.00 5.31 2.02 -1.26 -4.26 118.70 125.76 2i7k s GLU 2 Ca 0.42 -2.85 0.00 0.00 0.02 0.00 0.00 54.97 52.56 2i7k s GLU 2 Cb 0.11 -4.69 0.00 0.00 0.10 0.00 0.00 34.13 29.65 2i7k s GLU 2 CO -0.03 -1.42 0.00 1.55 0.02 0.00 0.00 175.26 175.39 2i7k n VAL 3 N 3.56 0.00 -0.96 2.63 3.14 -1.26 -4.96 118.33 120.48 2i7k n VAL 3 Ca 0.26 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.40 2i7k n VAL 3 Cb 0.42 0.00 0.10 0.00 -1.06 0.00 0.00 33.84 33.30 2i7k n VAL 3 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2i7k n GLU 4 N -1.10 2.16 -0.00 1.45 -0.58 -1.26 -4.12 120.64 117.19 2i7k n GLU 4 Ca 0.00 -2.48 0.07 0.00 -0.42 0.00 0.00 57.16 54.32 2i7k n GLU 4 Cb 0.00 -1.97 -0.09 0.00 -0.57 0.00 0.00 31.44 28.80 2i7k n GLU 4 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i7k n GLN 5 N -0.60 1.41 -0.09 3.49 6.02 -1.26 -4.60 117.38 121.75 2i7k n GLN 5 Ca 0.48 -0.07 -0.06 0.00 -0.01 0.00 0.00 57.00 57.34 2i7k n GLN 5 Cb 1.02 -1.24 -0.00 0.00 1.02 0.00 0.00 30.24 31.04 2i7k n GLN 5 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2i7k h THR 6 N 0.00 0.64 -0.98 5.09 2.02 -1.99 -1.76 112.91 115.92 2i7k h THR 6 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 2i7k h THR 6 Cb 0.49 0.64 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 2i7k h THR 6 CO 0.00 0.00 0.62 -0.65 0.37 0.00 0.00 175.52 175.86 2i7k h PRO 7 N -0.03 0.62 -0.55 6.66 0.11 -1.91 -0.26 132.00 136.64 2i7k h PRO 7 Ca 0.16 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2i7k h PRO 7 Cb 0.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 2i7k h PRO 7 CO -0.34 0.41 0.26 -0.07 -0.21 0.00 0.00 178.00 178.05 2i7k h LEU 8 N 0.64 0.72 -0.91 2.35 4.07 -1.61 -2.62 115.31 117.94 2i7k h LEU 8 Ca 0.55 -0.13 0.01 0.00 0.08 0.00 0.00 57.88 58.39 2i7k h LEU 8 Cb 1.02 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.53 2i7k h LEU 8 CO -0.31 0.65 0.60 -0.61 -1.08 0.00 0.00 178.44 177.69 2i7k h GLN 9 N 0.74 1.20 -0.37 1.13 4.15 -0.82 -1.60 115.11 119.55 2i7k h GLN 9 Ca 0.19 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2i7k h GLN 9 Cb 0.12 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 2i7k h GLN 9 CO -0.02 0.80 0.24 1.49 -1.93 0.00 0.00 178.83 179.41 2i7k h GLU 10 N 1.24 0.50 -0.64 1.69 4.81 -1.15 0.10 114.58 121.13 2i7k h GLU 10 Ca 0.33 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 2i7k h GLU 10 Cb -0.14 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 2i7k h GLU 10 CO -0.07 0.34 0.28 0.00 -0.73 0.00 0.00 179.01 178.83 2i7k h ALA 11 N 1.13 0.83 -0.39 2.92 0.00 -1.14 -1.67 119.26 120.94 2i7k h ALA 11 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2i7k h ALA 11 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2i7k h ALA 11 CO -0.03 0.43 0.08 -0.07 0.00 0.00 0.00 179.25 179.66 2i7k h LEU 12 N 0.90 0.61 -1.34 0.00 3.38 -0.96 -2.44 115.31 115.45 2i7k h LEU 12 Ca 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2i7k h LEU 12 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2i7k h LEU 12 CO -0.02 0.70 0.40 0.78 0.09 0.00 0.00 178.44 180.39 2i7k h ASN 13 N 0.49 0.74 -0.26 -0.43 2.35 -0.60 -2.52 115.58 115.35 2i7k h ASN 13 Ca 0.12 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2i7k h ASN 13 Cb 0.34 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2i7k h ASN 13 CO 0.01 0.55 0.05 1.56 -1.65 0.00 0.00 177.43 177.95 2i7k h GLN 14 N 0.86 0.42 -0.57 0.81 4.20 -1.04 -1.55 115.11 118.24 2i7k h GLN 14 Ca 0.23 -0.11 0.08 0.00 0.06 0.00 0.00 58.65 58.91 2i7k h GLN 14 Cb -0.07 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.60 2i7k h GLN 14 CO -0.05 0.53 0.24 1.25 -0.67 0.00 0.00 178.83 180.13 2i7k h LEU 15 N 0.24 0.28 -0.38 1.46 6.46 -1.04 -0.26 115.31 122.07 2i7k h LEU 15 Ca 0.08 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2i7k h LEU 15 Cb 0.31 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2i7k h LEU 15 CO 0.00 0.18 0.14 -0.03 -0.62 0.00 0.00 178.44 178.11 2i7k h MET 16 N 0.44 0.57 -0.54 1.25 4.05 -1.33 -2.29 114.93 117.08 2i7k h MET 16 Ca 0.28 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.60 2i7k h MET 16 Cb 0.29 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 2i7k h MET 16 CO -0.25 0.56 0.34 0.00 0.23 0.00 0.00 176.91 177.79 2i7k h ARG 17 N 0.46 0.66 -0.73 0.39 3.08 -0.63 -1.27 114.38 116.35 2i7k h ARG 17 Ca 0.12 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2i7k h ARG 17 Cb 0.21 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2i7k h ARG 17 CO -0.01 0.44 0.48 1.96 -1.07 0.00 0.00 179.97 181.77 2i7k h GLN 18 N 0.68 0.97 -0.63 0.04 4.20 -0.93 -1.84 115.11 117.59 2i7k h GLN 18 Ca 0.21 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2i7k h GLN 18 Cb -0.02 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 2i7k h GLN 18 CO -0.08 0.65 0.26 -0.07 -0.67 0.00 0.00 178.83 178.92 2i7k h LEU 19 N 0.99 0.87 -1.07 1.46 3.38 -0.96 -2.43 115.31 117.55 2i7k h LEU 19 Ca 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2i7k h LEU 19 Cb -0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2i7k h LEU 19 CO -0.06 0.80 0.39 -0.61 0.09 0.00 0.00 178.44 179.05 2i7k h GLN 20 N 0.89 1.04 0.00 1.13 4.15 -0.84 -1.91 115.11 119.57 2i7k h GLN 20 Ca 0.21 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2i7k h GLN 20 Cb 0.20 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2i7k h GLN 20 CO -0.02 0.78 0.00 -0.09 -1.93 0.00 0.00 178.83 177.57 2i7k h ARG 21 N 1.04 0.00 0.00 1.69 9.65 -1.01 -3.36 114.38 122.39 2i7k h ARG 21 Ca 0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2i7k h ARG 21 Cb 0.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2i7k h ARG 21 CO -0.04 0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.36 2i7k n LYS 22 N -2.51 0.00 0.00 0.20 4.76 -0.72 -4.98 118.16 114.92 2i7k n LYS 22 Ca 0.03 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 2i7k n LYS 22 Cb 0.32 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 2i7k n LYS 22 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2i7k n ASP 23 N -1.74 0.00 0.27 4.39 8.00 -1.26 -4.97 116.55 121.24 2i7k n ASP 23 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2i7k n ASP 23 Cb 0.00 0.00 0.74 0.00 -0.02 0.00 0.00 41.12 41.84 2i7k n ASP 23 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2i7k h PRO 24 N 0.00 0.00 0.00 -0.24 0.11 -1.88 -1.18 132.00 128.82 2i7k h PRO 24 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2i7k h PRO 24 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2i7k h PRO 24 CO 0.00 0.04 0.00 0.45 -0.21 0.00 0.00 178.00 178.28 2i7k n SER 25 N -4.13 0.00 0.19 -2.05 2.88 -1.26 -3.74 113.62 105.51 2i7k n SER 25 Ca -0.03 -0.92 0.09 0.00 -1.33 0.00 0.00 58.87 56.69 2i7k n SER 25 Cb 0.13 -0.02 0.62 0.00 -0.75 0.00 0.00 64.21 64.19 2i7k n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2i7k h ALA 26 N 3.90 2.03 0.00 -1.46 0.00 -1.42 0.73 119.26 123.04 2i7k h ALA 26 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2i7k h ALA 26 Cb 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2i7k h ALA 26 CO 0.00 -0.05 -1.76 1.19 0.00 0.00 0.00 179.25 178.63 2i7k n PHE 27 N -4.51 0.86 1.23 0.00 3.01 -1.24 -4.04 117.46 112.76 2i7k n PHE 27 Ca -0.01 0.31 0.13 0.00 1.01 0.00 0.00 57.45 58.89 2i7k n PHE 27 Cb 0.15 -1.15 0.35 0.00 -0.01 0.00 0.00 39.48 38.83 2i7k n PHE 27 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2i7k n PHE 28 N -2.98 0.00 0.33 1.38 3.72 -0.89 -4.11 117.46 114.92 2i7k n PHE 28 Ca -0.18 0.00 0.22 0.00 -0.05 0.00 0.00 57.45 57.44 2i7k n PHE 28 Cb 1.04 -0.11 1.20 0.00 -0.94 0.00 0.00 39.48 40.67 2i7k n PHE 28 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2i7k h SER 29 N 1.29 0.00 -3.61 4.37 0.87 0.33 -0.91 113.55 115.89 2i7k h SER 29 Ca 0.00 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.15 2i7k h SER 29 Cb 0.52 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.34 2i7k h SER 29 CO 0.00 0.00 -0.67 0.72 -0.53 0.00 0.00 176.83 176.35 2i7k s PHE 30 N -4.13 1.64 0.24 2.24 -0.12 -1.26 -2.59 117.98 114.01 2i7k s PHE 30 Ca -0.05 -0.84 -0.31 0.00 -0.05 0.00 0.00 56.93 55.68 2i7k s PHE 30 Cb 0.13 -0.94 -0.11 0.00 -0.63 0.00 0.00 43.02 41.47 2i7k s PHE 30 CO 0.40 0.07 1.63 -1.25 -0.05 0.00 0.00 175.22 176.01 2i7k s PRO 31 N -3.81 4.15 0.59 1.99 0.04 -1.26 -4.69 135.00 132.00 2i7k s PRO 31 Ca 0.27 2.54 -0.19 0.00 0.04 0.00 0.00 61.00 63.67 2i7k s PRO 31 Cb 0.05 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 2i7k s PRO 31 CO 0.09 -0.66 1.00 1.33 0.04 0.00 0.00 177.00 178.80 2i7k n VAL 32 N 3.08 3.70 -3.50 -0.36 0.24 -1.26 -4.98 118.33 115.25 2i7k n VAL 32 Ca 0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2i7k n VAL 32 Cb 0.37 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 2i7k n VAL 32 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2i7k n THR 33 N -1.64 0.00 1.16 3.34 -1.04 -1.26 -4.89 114.28 109.95 2i7k n THR 33 Ca 0.13 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.25 2i7k n THR 33 Cb 0.47 0.00 0.58 0.00 -1.82 0.00 0.00 70.33 69.56 2i7k n THR 33 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2i7k n ASP 34 N -1.49 0.00 0.00 8.00 -0.08 -1.26 -1.39 116.55 120.33 2i7k n ASP 34 Ca 0.00 -0.30 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 2i7k n ASP 34 Cb 0.00 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.29 2i7k n ASP 34 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2i7k n PHE 35 N -1.17 0.00 0.13 -0.67 3.01 -1.26 -4.70 117.46 112.80 2i7k n PHE 35 Ca 0.13 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.60 2i7k n PHE 35 Cb 0.13 0.01 0.36 0.00 -0.01 0.00 0.00 39.48 39.97 2i7k n PHE 35 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2i7k h ILE 36 N 0.00 1.21 -4.49 4.37 5.03 -1.94 -3.42 117.51 118.27 2i7k h ILE 36 Ca 0.00 -0.97 -0.64 0.00 -0.12 0.00 0.00 64.86 63.13 2i7k h ILE 36 Cb 0.96 1.36 -0.30 0.00 -3.03 0.00 0.00 36.82 35.82 2i7k h ILE 36 CO 0.00 0.29 -0.87 0.00 -0.68 0.00 0.00 178.15 176.90 2i7k s ALA 37 N -4.55 1.90 -2.04 1.87 0.00 -0.49 -4.79 121.76 113.66 2i7k s ALA 37 Ca -0.05 -0.99 0.17 0.00 0.00 0.00 0.00 51.96 51.09 2i7k s ALA 37 Cb 0.15 -0.48 0.95 0.00 0.00 0.00 0.00 23.12 23.74 2i7k s ALA 37 CO 0.74 0.46 1.62 -0.35 0.00 0.00 0.00 175.76 178.23 2i7k n PRO 38 N 2.48 1.12 0.00 0.00 -0.05 -1.26 -4.34 135.00 132.95 2i7k n PRO 38 Ca -0.16 -0.17 0.00 0.00 -0.05 0.00 0.00 63.50 63.12 2i7k n PRO 38 Cb 0.52 -1.28 0.00 0.00 -0.05 0.00 0.00 33.50 32.69 2i7k n PRO 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 2i7k n GLY 39 N 0.82 0.03 0.36 0.55 0.00 -1.26 -5.04 105.19 100.64 2i7k n GLY 39 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2i7k n GLY 39 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2i7k h TYR 40 N 0.00 1.13 0.00 1.61 -1.99 -1.88 0.52 116.97 116.36 2i7k h TYR 40 Ca 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 2i7k h TYR 40 Cb 0.00 -0.36 -0.00 0.00 2.00 0.00 0.00 36.73 38.37 2i7k h TYR 40 CO 0.00 0.43 -0.02 0.77 -0.00 0.00 0.00 178.16 179.34 2i7k h SER 41 N 0.97 0.00 -0.05 3.88 0.02 -1.91 1.09 113.55 117.55 2i7k h SER 41 Ca 0.50 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.36 2i7k h SER 41 Cb 0.53 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 2i7k h SER 41 CO -0.28 0.02 -0.33 0.24 -1.14 0.00 0.00 176.83 175.34 2i7k h MET 42 N 0.00 0.31 0.00 3.45 2.86 -1.30 -3.41 114.93 116.83 2i7k h MET 42 Ca -0.00 -0.27 -0.25 0.00 -2.06 0.00 0.00 59.70 57.13 2i7k h MET 42 Cb 0.04 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 2i7k h MET 42 CO 0.00 0.93 -1.87 1.51 1.06 0.00 0.00 176.91 178.54 2i7k n ILE 43 N -4.43 0.86 -2.98 -1.22 0.13 -1.08 -4.84 119.36 105.81 2i7k n ILE 43 Ca -0.09 -0.27 -0.44 0.00 -1.10 0.00 0.00 62.75 60.85 2i7k n ILE 43 Cb 0.51 -1.38 -0.02 0.00 -0.84 0.00 0.00 39.64 37.91 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 2i7k s ILE 44 N -2.29 4.91 0.14 9.51 -1.09 0.37 -4.90 121.20 127.85 2i7k s ILE 44 Ca -0.21 -1.94 -0.26 0.00 -2.23 0.00 0.00 60.65 56.01 2i7k s ILE 44 Cb 0.07 -4.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.16 2i7k s ILE 44 CO 0.31 -1.48 1.61 0.11 -1.23 0.00 0.00 174.94 174.26 2i7k h LYS 45 N 8.32 -0.37 -3.40 2.79 1.57 -1.80 -3.34 116.57 120.34 2i7k h LYS 45 Ca 0.19 0.03 -0.66 0.00 -1.87 0.00 0.00 60.65 58.33 2i7k h LYS 45 Cb 0.99 0.08 -0.38 0.00 0.08 0.00 0.00 32.23 33.00 2i7k h LYS 45 CO 1.10 -0.25 -0.47 -3.38 -0.57 0.00 0.00 179.45 175.89 2i7k s HIS 46 N -6.00 3.39 -1.13 -1.35 -3.43 -1.26 -4.89 115.29 100.62 2i7k s HIS 46 Ca -0.15 -3.02 -0.13 0.00 -0.80 0.00 0.00 55.06 50.96 2i7k s HIS 46 Cb 0.11 -2.99 0.20 0.00 -1.43 0.00 0.00 32.58 28.47 2i7k s HIS 46 CO 0.66 -0.75 1.27 -1.25 -2.00 0.00 0.00 174.74 172.68 2i7k s PRO 47 N -0.50 4.04 -1.02 -0.38 0.04 -1.25 -4.78 135.00 131.14 2i7k s PRO 47 Ca 0.19 -2.65 -0.25 0.00 0.04 0.00 0.00 61.00 58.33 2i7k s PRO 47 Cb -0.19 -4.87 -0.13 0.00 0.04 0.00 0.00 34.50 29.35 2i7k s PRO 47 CO -0.05 -1.60 2.07 -1.64 0.04 0.00 0.00 177.00 175.83 2i7k s MET 48 N 0.86 1.97 1.11 4.56 -1.94 -1.26 -4.75 119.30 119.85 2i7k s MET 48 Ca 0.37 -0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 53.76 2i7k s MET 48 Cb -0.05 -5.05 0.25 0.00 2.01 0.00 0.00 34.83 31.99 2i7k s MET 48 CO -0.04 -4.37 1.05 -0.51 -0.01 0.00 0.00 175.02 171.15 2i7k s ASP 49 N 8.20 1.43 0.46 3.03 1.01 -1.26 -4.35 116.67 125.19 2i7k s ASP 49 Ca 0.77 1.53 0.13 0.00 0.71 0.00 0.00 52.55 55.69 2i7k s ASP 49 Cb -0.05 -2.26 1.07 0.00 1.01 0.00 0.00 42.92 42.68 2i7k s ASP 49 CO 0.11 -3.92 2.07 -0.26 0.21 0.00 0.00 175.17 173.37 2i7k h PHE 50 N -2.43 0.29 -0.17 4.23 -1.00 -1.40 -1.76 116.94 114.70 2i7k h PHE 50 Ca -0.59 0.01 -0.18 0.00 2.81 0.00 0.00 57.97 60.03 2i7k h PHE 50 Cb 1.33 -0.10 0.01 0.00 3.61 0.00 0.00 35.95 40.79 2i7k h PHE 50 CO 0.29 0.17 -0.58 1.03 -1.61 0.00 0.00 178.31 177.61 2i7k h SER 51 N 0.30 0.80 -0.15 2.17 0.87 -1.64 -1.61 113.55 114.29 2i7k h SER 51 Ca 0.13 -0.60 -0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2i7k h SER 51 Cb 0.15 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2i7k h SER 51 CO -0.03 1.27 0.08 0.74 -0.53 0.00 0.00 176.83 178.36 2i7k h THR 52 N 0.38 1.11 -0.43 2.23 2.02 -1.71 -1.46 112.91 115.05 2i7k h THR 52 Ca -0.03 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 2i7k h THR 52 Cb 1.21 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 2i7k h THR 52 CO 0.12 0.11 -0.04 0.00 0.37 0.00 0.00 175.52 176.08 2i7k h MET 53 N 0.13 0.78 -0.60 6.66 -0.00 -1.41 -2.48 114.93 118.02 2i7k h MET 53 Ca 0.05 -0.27 0.02 0.00 -0.00 0.00 0.00 59.70 59.50 2i7k h MET 53 Cb 0.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 31.61 2i7k h MET 53 CO -0.01 0.88 0.38 0.87 -0.00 0.00 0.00 176.91 179.03 2i7k h LYS 54 N 0.62 0.74 -0.55 -0.10 1.79 -1.19 0.29 116.57 118.16 2i7k h LYS 54 Ca 0.12 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 2i7k h LYS 54 Cb 0.55 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2i7k h LYS 54 CO 0.03 0.49 0.11 1.49 -1.08 0.00 0.00 179.45 180.49 2i7k h GLU 55 N 0.76 0.86 -0.38 3.15 4.57 -1.21 -2.55 114.58 119.78 2i7k h GLU 55 Ca 0.23 -0.19 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 2i7k h GLU 55 Cb -0.04 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2i7k h GLU 55 CO -0.07 0.79 -0.21 0.87 -1.18 0.00 0.00 179.01 179.21 2i7k h LYS 56 N 0.83 0.81 -0.96 1.92 6.56 -0.93 -3.11 116.57 121.69 2i7k h LYS 56 Ca 0.18 -0.37 0.03 0.00 -1.06 0.00 0.00 60.65 59.43 2i7k h LYS 56 Cb 0.33 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.92 2i7k h LYS 56 CO 0.00 1.00 0.63 0.82 -2.06 0.00 0.00 179.45 179.84 2i7k h ILE 57 N 0.61 1.20 -0.01 1.86 2.04 -0.70 0.51 117.51 123.02 2i7k h ILE 57 Ca 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2i7k h ILE 57 Cb 0.77 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2i7k h ILE 57 CO 0.06 0.23 0.01 0.50 0.00 0.00 0.00 178.15 178.95 2i7k h LYS 58 N 1.25 0.00 -0.68 2.37 3.64 -1.39 -0.67 116.57 121.08 2i7k h LYS 58 Ca 0.37 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 2i7k h LYS 58 Cb -0.06 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 2i7k h LYS 58 CO -0.10 0.00 0.11 0.09 -2.27 0.00 0.00 179.45 177.27 2i7k n ASN 59 N -3.99 5.08 -1.37 4.20 3.02 -0.41 -4.89 115.26 116.91 2i7k n ASN 59 Ca -0.03 -2.97 -0.18 0.00 -0.03 0.00 0.00 54.58 51.38 2i7k n ASN 59 Cb 0.09 -0.70 -0.07 0.00 -0.61 0.00 0.00 39.78 38.49 2i7k n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2i7k n ASN 60 N 0.30 -5.12 0.03 6.41 3.02 -0.26 -4.86 115.26 114.78 2i7k n ASN 60 Ca 0.31 0.42 -0.12 0.00 -0.03 0.00 0.00 54.58 55.16 2i7k n ASN 60 Cb 1.21 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2i7k h ASP 61 N 0.00 0.61 -3.67 6.41 1.82 -1.10 -3.41 116.42 117.08 2i7k h ASP 61 Ca -0.36 -0.40 -0.62 0.00 -0.39 0.00 0.00 57.03 55.26 2i7k h ASP 61 Cb 1.15 -0.18 -0.38 0.00 0.68 0.00 0.00 39.33 40.60 2i7k h ASP 61 CO 0.53 1.16 -0.79 -0.31 -1.61 0.00 0.00 179.24 178.22 2i7k s TYR 62 N -3.66 2.54 -0.00 0.28 2.02 -1.25 -4.91 117.35 112.37 2i7k s TYR 62 Ca -0.07 -1.86 0.00 0.00 -0.37 0.00 0.00 57.07 54.77 2i7k s TYR 62 Cb 0.10 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.01 2i7k s TYR 62 CO 0.86 -0.79 0.95 0.94 -1.57 0.00 0.00 175.55 175.94 2i7k n GLN 63 N 4.63 0.03 -4.61 -0.62 7.27 -1.26 -4.64 117.38 118.18 2i7k n GLN 63 Ca -0.12 -0.98 -0.25 0.00 0.07 0.00 0.00 57.00 55.72 2i7k n GLN 63 Cb 0.44 -0.52 -0.17 0.00 2.41 0.00 0.00 30.24 32.40 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2i7k s SER 64 N -0.94 1.80 0.37 1.69 0.01 -1.26 -4.94 113.70 110.43 2i7k s SER 64 Ca 0.01 -0.30 0.11 0.00 1.31 0.00 0.00 55.95 57.07 2i7k s SER 64 Cb 0.00 -0.82 0.88 0.00 0.21 0.00 0.00 66.02 66.30 2i7k s SER 64 CO 0.00 0.04 1.86 0.16 0.41 0.00 0.00 173.24 175.71 2i7k h ILE 65 N 5.93 0.79 -0.36 1.44 3.07 -1.98 0.43 117.51 126.83 2i7k h ILE 65 Ca -0.31 -0.21 -0.16 0.00 1.55 0.00 0.00 64.86 65.73 2i7k h ILE 65 Cb 1.19 0.12 -0.00 0.00 -0.27 0.00 0.00 36.82 37.85 2i7k h ILE 65 CO 0.47 0.11 -0.41 -0.33 -1.05 0.00 0.00 178.15 176.95 2i7k h GLU 66 N 0.62 0.92 -0.08 0.16 5.08 -1.98 -0.20 114.58 119.10 2i7k h GLU 66 Ca 0.46 -0.51 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2i7k h GLU 66 Cb 0.83 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2i7k h GLU 66 CO -0.21 1.16 -0.07 0.93 -1.00 0.00 0.00 179.01 179.82 2i7k h GLU 67 N 0.74 0.20 -0.94 2.33 4.39 -1.47 -1.73 114.58 118.09 2i7k h GLU 67 Ca 0.05 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2i7k h GLU 67 Cb 1.01 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 2i7k h GLU 67 CO 0.10 0.62 0.56 1.25 -1.16 0.00 0.00 179.01 180.38 2i7k h LEU 68 N -0.21 1.14 -0.72 1.33 6.46 -0.26 -2.30 115.31 120.75 2i7k h LEU 68 Ca 0.01 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 2i7k h LEU 68 Cb 0.58 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 2i7k h LEU 68 CO 0.02 0.88 0.06 0.11 -0.62 0.00 0.00 178.44 178.89 2i7k h LYS 69 N 1.30 1.05 -0.82 1.25 1.57 -0.99 -2.24 116.57 117.69 2i7k h LYS 69 Ca 0.34 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2i7k h LYS 69 Cb -0.05 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 2i7k h LYS 69 CO -0.06 0.99 0.51 0.22 -0.57 0.00 0.00 179.45 180.53 2i7k h ASP 70 N 0.97 0.97 -0.02 0.86 1.82 -0.77 0.38 116.42 120.62 2i7k h ASP 70 Ca 0.19 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 2i7k h ASP 70 Cb 0.47 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 2i7k h ASP 70 CO 0.02 0.73 -0.01 0.78 -1.61 0.00 0.00 179.24 179.15 2i7k h ASN 71 N 1.12 0.05 -0.40 2.28 -0.26 -1.27 0.14 115.58 117.24 2i7k h ASN 71 Ca 0.30 -0.38 -0.05 0.00 -0.56 0.00 0.00 56.30 55.61 2i7k h ASN 71 Cb -0.07 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 2i7k h ASN 71 CO -0.06 0.42 0.06 0.15 -1.06 0.00 0.00 177.43 176.94 2i7k h PHE 72 N -0.33 0.70 -0.41 1.19 3.57 -1.30 -2.62 116.94 117.74 2i7k h PHE 72 Ca 0.01 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.32 2i7k h PHE 72 Cb 0.40 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2i7k h PHE 72 CO 0.06 0.69 -0.08 -0.22 -2.23 0.00 0.00 178.31 176.53 2i7k h LYS 73 N 0.51 0.72 -0.32 1.11 3.64 -0.28 -1.76 116.57 120.19 2i7k h LYS 73 Ca 0.12 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2i7k h LYS 73 Cb 0.37 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2i7k h LYS 73 CO 0.01 0.79 0.20 -0.07 -2.27 0.00 0.00 179.45 178.10 2i7k h LEU 74 N 0.66 0.38 -0.26 5.20 3.38 -0.50 0.20 115.31 124.37 2i7k h LEU 74 Ca 0.12 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2i7k h LEU 74 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2i7k h LEU 74 CO 0.03 0.31 -0.06 -0.03 0.09 0.00 0.00 178.44 178.78 2i7k h MET 75 N 0.41 0.51 -0.04 1.13 4.05 -1.35 0.18 114.93 119.81 2i7k h MET 75 Ca 0.11 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2i7k h MET 75 Cb -0.00 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2i7k h MET 75 CO -0.02 0.72 0.02 0.00 0.23 0.00 0.00 176.91 177.86 2i7k h THR 77 N 0.01 1.28 -0.17 0.00 2.02 -0.62 -1.63 112.91 113.81 2i7k h THR 77 Ca 0.01 -1.51 -0.14 0.00 0.77 0.00 0.00 66.41 65.54 2i7k h THR 77 Cb 0.04 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2i7k h THR 77 CO -0.00 0.49 -0.49 0.78 0.37 0.00 0.00 175.52 176.68 2i7k h ASN 78 N 0.62 0.50 -0.21 4.18 2.35 -0.46 -1.02 115.58 121.54 2i7k h ASN 78 Ca 0.06 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.44 2i7k h ASN 78 Cb 0.89 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2i7k h ASN 78 CO 0.08 0.91 -0.38 0.00 -1.65 0.00 0.00 177.43 176.38 2i7k h ALA 79 N 1.11 0.33 -0.10 -0.83 0.00 0.21 -2.40 119.26 117.59 2i7k h ALA 79 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 2i7k h ALA 79 Cb 0.99 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2i7k h ALA 79 CO 0.09 0.42 -0.63 0.00 0.00 0.00 0.00 179.25 179.13 2i7k h MET 80 N 0.32 0.35 -0.06 0.00 -0.00 -1.28 -1.76 114.93 112.50 2i7k h MET 80 Ca 0.01 -0.25 -0.02 0.00 -0.00 0.00 0.00 59.70 59.44 2i7k h MET 80 Cb 0.98 0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.61 2i7k h MET 80 CO 0.09 0.86 -0.05 0.97 -0.00 0.00 0.00 176.91 178.78 2i7k h ILE 81 N 0.26 1.36 0.00 -0.10 6.09 -1.21 -3.14 117.51 120.77 2i7k h ILE 81 Ca -0.01 -1.18 -0.08 0.00 -1.37 0.00 0.00 64.86 62.23 2i7k h ILE 81 Cb 1.16 2.01 -0.01 0.00 0.47 0.00 0.00 36.82 40.45 2i7k h ILE 81 CO 0.10 0.32 -0.37 0.22 -3.07 0.00 0.00 178.15 175.36 2i7k h TYR 82 N -0.28 0.00 -0.88 2.19 3.20 -1.49 -3.44 116.97 116.27 2i7k h TYR 82 Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2i7k h TYR 82 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2i7k h TYR 82 CO 0.09 0.37 0.00 -1.71 -1.64 0.00 0.00 178.16 175.26 2i7k n ASN 83 N -3.79 0.00 0.00 -2.11 2.85 -0.66 -5.09 115.26 106.45 2i7k n ASN 83 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2i7k n ASN 83 Cb 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 2i7k n ASN 83 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2i7k n LYS 84 N 0.00 -0.97 -1.39 1.20 5.02 -1.25 -4.89 118.16 115.88 2i7k n LYS 84 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 2i7k n LYS 84 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 2i7k n LYS 84 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2i7k n PRO 85 N -0.25 0.49 -0.06 1.97 -0.02 -1.26 -3.81 135.00 132.06 2i7k n PRO 85 Ca 0.00 -1.71 -0.09 0.00 -2.02 0.00 0.00 63.50 59.68 2i7k n PRO 85 Cb 0.00 -3.48 -0.03 0.00 -0.02 0.00 0.00 33.50 29.97 2i7k n PRO 85 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2i7k n GLU 86 N 8.03 0.41 -2.99 -0.52 1.02 -1.26 -4.96 120.64 120.38 2i7k n GLU 86 Ca 0.44 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 57.59 2i7k n GLU 86 Cb 0.45 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 2i7k n GLU 86 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2i7k n THR 87 N -4.20 -0.42 -0.59 2.62 -2.24 -1.26 -4.93 114.28 103.26 2i7k n THR 87 Ca -0.15 -2.45 0.00 0.00 -2.27 0.00 0.00 64.05 59.18 2i7k n THR 87 Cb 0.45 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2i7k n THR 87 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2i7k n ILE 88 N 2.06 0.00 -0.03 2.28 5.41 -1.26 -4.77 119.36 123.05 2i7k n ILE 88 Ca 0.18 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.79 2i7k n ILE 88 Cb 0.56 -0.58 -0.09 0.00 -0.71 0.00 0.00 39.64 38.81 2i7k n ILE 88 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2i7k h TYR 89 N 0.00 0.36 -0.14 1.39 -1.99 -1.92 0.11 116.97 114.79 2i7k h TYR 89 Ca 0.00 -0.15 -0.01 0.00 2.00 0.00 0.00 58.73 60.57 2i7k h TYR 89 Cb 0.18 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 2i7k h TYR 89 CO 0.11 0.87 0.05 -0.92 -0.00 0.00 0.00 178.16 178.27 2i7k h TYR 90 N -0.25 0.21 -0.29 4.88 3.20 -1.86 -2.42 116.97 120.44 2i7k h TYR 90 Ca -0.01 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.76 2i7k h TYR 90 Cb 0.89 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2i7k h TYR 90 CO 0.13 0.31 -0.17 -0.22 -1.64 0.00 0.00 178.16 176.57 2i7k h LYS 91 N 0.06 0.52 -0.50 1.82 3.64 -1.91 -2.23 116.57 117.96 2i7k h LYS 91 Ca 0.05 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2i7k h LYS 91 Cb 0.19 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2i7k h LYS 91 CO -0.00 0.67 0.33 0.00 -2.27 0.00 0.00 179.45 178.18 2i7k h ALA 92 N 1.35 0.64 -0.21 5.00 0.00 -0.76 0.29 119.26 125.58 2i7k h ALA 92 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2i7k h ALA 92 Cb 0.57 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2i7k h ALA 92 CO 0.04 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 2i7k h ALA 93 N 1.19 0.29 -0.41 0.00 0.00 -1.28 -2.04 119.26 117.02 2i7k h ALA 93 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2i7k h ALA 93 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2i7k h ALA 93 CO -0.05 0.15 0.13 0.87 0.00 0.00 0.00 179.25 180.35 2i7k h LYS 94 N 0.14 0.63 -0.59 0.00 1.57 -1.24 -1.74 116.57 115.34 2i7k h LYS 94 Ca 0.04 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2i7k h LYS 94 Cb 0.63 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2i7k h LYS 94 CO 0.03 0.63 0.35 -0.22 -0.57 0.00 0.00 179.45 179.67 2i7k h LYS 95 N 0.51 0.81 -0.71 3.15 3.11 -0.44 -2.46 116.57 120.54 2i7k h LYS 95 Ca 0.13 -0.08 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 2i7k h LYS 95 Cb 0.26 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.29 2i7k h LYS 95 CO -0.00 0.59 0.33 1.25 -2.81 0.00 0.00 179.45 178.81 2i7k h LEU 96 N 0.80 0.94 -0.56 5.20 7.12 -1.23 -2.42 115.31 125.17 2i7k h LEU 96 Ca 0.21 -0.14 0.06 0.00 0.13 0.00 0.00 57.88 58.14 2i7k h LEU 96 Cb -0.00 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 39.83 2i7k h LEU 96 CO -0.04 0.82 0.26 0.25 -0.13 0.00 0.00 178.44 179.60 2i7k h LEU 97 N 1.00 0.34 -0.66 2.25 6.46 -0.95 -0.64 115.31 123.11 2i7k h LEU 97 Ca 0.24 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.04 2i7k h LEU 97 Cb 0.14 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2i7k h LEU 97 CO -0.03 0.22 0.38 0.45 -0.62 0.00 0.00 178.44 178.84 2i7k h HIS 98 N 0.49 0.89 -0.61 1.25 3.86 -1.16 -2.02 115.15 117.85 2i7k h HIS 98 Ca 0.26 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2i7k h HIS 98 Cb 0.22 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 2i7k h HIS 98 CO -0.12 0.62 0.36 0.77 0.86 0.00 0.00 177.93 180.41 2i7k h SER 99 N 0.90 0.73 -0.48 2.45 0.02 -0.89 -2.36 113.55 113.92 2i7k h SER 99 Ca 0.23 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 2i7k h SER 99 Cb 0.01 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2i7k h SER 99 CO -0.04 0.59 0.18 1.23 -1.14 0.00 0.00 176.83 177.64 2i7k h GLY 100 N 0.82 0.84 0.79 -3.77 0.00 -0.80 -2.25 103.07 98.70 2i7k h GLY 100 Ca 0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2i7k h GLY 100 CO -0.04 0.42 0.01 -0.33 0.00 0.00 0.00 176.54 176.61 2i7k h MET 101 N 0.77 0.15 -0.70 4.80 2.86 -0.97 0.40 114.93 122.24 2i7k h MET 101 Ca 0.18 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2i7k h MET 101 Cb 0.21 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 2i7k h MET 101 CO -0.01 0.37 0.36 1.57 1.06 0.00 0.00 176.91 180.25 2i7k h LYS 102 N -0.08 0.97 -0.12 1.72 2.10 -1.31 -2.20 116.57 117.66 2i7k h LYS 102 Ca 0.03 -0.12 -0.20 0.00 -2.00 0.00 0.00 60.65 58.36 2i7k h LYS 102 Cb 0.29 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 2i7k h LYS 102 CO 0.00 0.74 -0.74 0.82 -2.00 0.00 0.00 179.45 178.26 2i7k h ILE 103 N 0.98 1.33 -0.20 0.07 2.04 -1.32 -3.14 117.51 117.27 2i7k h ILE 103 Ca 0.24 -2.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 2i7k h ILE 103 Cb 0.06 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2i7k h ILE 103 CO -0.04 0.63 0.01 -0.07 0.00 0.00 0.00 178.15 178.69 2i7k h LEU 104 N 0.40 0.26 -1.66 1.44 3.38 -0.52 -2.21 115.31 116.41 2i7k h LEU 104 Ca -0.04 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2i7k h LEU 104 Cb 1.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2i7k h LEU 104 CO 0.14 0.30 0.25 0.28 0.09 0.00 0.00 178.44 179.51 2i7k h SER 105 N 0.29 0.39 -0.69 -0.43 0.02 -1.35 -1.73 113.55 110.05 2i7k h SER 105 Ca 0.07 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2i7k h SER 105 Cb 0.18 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 2i7k h SER 105 CO 0.00 0.28 0.45 1.56 -1.14 0.00 0.00 176.83 177.98 2i7k h GLN 106 N 0.46 0.85 -0.88 3.45 4.20 -1.50 0.50 115.11 122.19 2i7k h GLN 106 Ca 0.15 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.84 2i7k h GLN 106 Cb 0.03 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 27.57 2i7k h GLN 106 CO -0.03 0.56 0.57 0.93 -0.67 0.00 0.00 178.83 180.19 2i7k h GLU 107 N 0.88 1.09 0.00 1.46 4.39 -1.42 -3.22 114.58 117.76 2i7k h GLU 107 Ca 0.26 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.79 2i7k h GLU 107 Cb -0.02 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 2i7k h GLU 107 CO -0.07 0.72 -0.62 -0.09 -1.16 0.00 0.00 179.01 177.80 2i7k h ARG 108 N 1.12 0.00 -4.98 2.33 1.12 -1.43 -3.43 114.38 109.11 2i7k h ARG 108 Ca 0.35 0.00 -0.68 0.00 -1.11 0.00 0.00 59.98 58.54 2i7k h ARG 108 Cb -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 29.97 29.76 2i7k h ARG 108 CO -0.11 0.88 0.46 -1.17 -3.11 0.00 0.00 179.97 176.92 2i7k s LEU 109 N -8.08 5.04 -0.04 3.80 0.20 0.17 -4.82 118.68 114.95 2i7k s LEU 109 Ca -0.22 -1.53 -0.07 0.00 0.69 0.00 0.00 54.13 53.00 2i7k s LEU 109 Cb 0.02 -2.36 -0.02 0.00 -0.43 0.00 0.00 46.19 43.39 2i7k s LEU 109 CO 0.58 -1.18 -0.13 1.21 -0.29 0.00 0.00 176.35 176.53 2i7k n GLU 110 N 6.72 0.20 -4.18 1.98 2.13 -1.25 -4.39 120.64 121.85 2i7k n GLU 110 Ca 0.03 0.08 -0.32 0.00 0.66 0.00 0.00 57.16 57.61 2i7k n GLU 110 Cb 0.45 -0.77 -0.08 0.00 0.27 0.00 0.00 31.44 31.31 2i7k n GLU 110 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2i7k s HIS 111 N -1.95 3.14 0.42 4.31 2.46 -1.26 -5.12 115.29 117.29 2i7k s HIS 111 Ca -0.11 0.11 -0.00 0.00 0.47 0.00 0.00 55.06 55.53 2i7k s HIS 111 Cb 0.02 -1.67 -0.02 0.00 -0.13 0.00 0.00 32.58 30.78 2i7k s HIS 111 CO 0.16 0.50 0.64 -3.38 -2.47 0.00 0.00 174.74 170.19 2i7k s HIS 112 N -1.18 3.35 -0.46 3.88 -3.43 -1.26 -5.09 115.29 111.10 2i7k s HIS 112 Ca 0.22 0.34 0.07 0.00 -0.80 0.00 0.00 55.06 54.89 2i7k s HIS 112 Cb -0.12 -2.18 0.18 0.00 -1.43 0.00 0.00 32.58 29.04 2i7k s HIS 112 CO 0.14 -0.20 0.65 -1.58 -2.00 0.00 0.00 174.74 171.75 2i7k s HIS 113 N -2.50 -1.44 0.79 0.38 2.46 -1.26 -5.16 115.29 108.56 2i7k s HIS 113 Ca 0.45 -0.36 -0.06 0.00 0.47 0.00 0.00 55.06 55.57 2i7k s HIS 113 Cb -0.10 0.21 0.14 0.00 -0.13 0.00 0.00 32.58 32.70 2i7k s HIS 113 CO 0.38 -1.20 1.09 -1.01 -2.47 0.00 0.00 174.74 171.54 2i7k s HIS 114 N 1.25 1.78 0.27 3.88 3.76 -1.26 -4.99 115.29 119.97 2i7k s HIS 114 Ca 0.24 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 2i7k s HIS 114 Cb -0.02 -3.36 0.00 0.00 1.11 0.00 0.00 32.58 30.30 2i7k s HIS 114 CO -0.06 -1.95 0.00 0.72 -0.85 0.00 0.00 174.74 172.60 2i7k n HIS 115 N -3.12 -1.73 1.63 1.40 8.25 -1.26 -5.36 115.22 115.03 2i7k n HIS 115 Ca 0.14 0.95 0.15 0.00 -0.26 0.00 0.00 57.72 58.69 2i7k n HIS 115 Cb 0.60 -1.57 0.64 0.00 1.12 0.00 0.00 29.99 30.78 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70