#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 1.53 -3.01 0.03 2.13 -1.26 -5.04 120.64 115.02 2i7k n GLU 1 Ca 0.00 -3.17 -0.38 0.00 0.66 0.00 0.00 57.16 54.27 2i7k n GLU 1 Cb 0.00 -1.39 -0.06 0.00 0.27 0.00 0.00 31.44 30.26 2i7k n GLU 1 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2i7k s GLU 2 N -2.68 4.44 -1.94 5.31 -6.30 -1.26 -3.66 118.70 112.61 2i7k s GLU 2 Ca 0.38 1.06 0.00 0.00 -2.50 0.00 0.00 54.97 53.91 2i7k s GLU 2 Cb 0.38 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 31.44 2i7k s GLU 2 CO -0.07 0.47 0.00 0.28 0.02 0.00 0.00 175.26 175.96 2i7k n VAL 3 N 1.15 -0.11 -0.04 3.70 0.31 -1.26 -4.83 118.33 117.25 2i7k n VAL 3 Ca -0.04 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.32 2i7k n VAL 3 Cb 0.50 -1.95 -0.15 0.00 -0.91 0.00 0.00 33.84 31.33 2i7k n VAL 3 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2i7k n GLU 4 N -2.50 0.79 0.05 5.55 2.13 -1.24 -4.45 120.64 120.97 2i7k n GLU 4 Ca -0.19 -0.11 -0.10 0.00 0.66 0.00 0.00 57.16 57.42 2i7k n GLU 4 Cb 0.62 -1.46 0.02 0.00 0.27 0.00 0.00 31.44 30.89 2i7k n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.41 0.00 0.00 177.13 176.16 2i7k h GLN 5 N 0.00 0.44 0.45 5.31 3.07 -1.88 -3.26 115.11 119.23 2i7k h GLN 5 Ca -0.20 -0.36 -0.01 0.00 0.09 0.00 0.00 58.65 58.17 2i7k h GLN 5 Cb 1.37 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 29.00 2i7k h GLN 5 CO 0.01 0.99 -0.30 1.15 0.09 0.00 0.00 178.83 180.77 2i7k h THR 6 N 0.30 0.38 -0.89 1.86 2.02 -1.97 -2.09 112.91 112.51 2i7k h THR 6 Ca -0.03 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.30 2i7k h THR 6 Cb 1.32 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 68.01 2i7k h THR 6 CO 0.13 0.00 0.49 -0.65 0.37 0.00 0.00 175.52 175.85 2i7k h PRO 7 N -0.73 0.67 -0.69 6.66 0.11 -1.79 -1.24 132.00 134.99 2i7k h PRO 7 Ca -0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2i7k h PRO 7 Cb 0.61 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 2i7k h PRO 7 CO 0.03 0.44 0.33 -0.07 -0.21 0.00 0.00 178.00 178.53 2i7k h LEU 8 N 0.69 0.91 -1.30 2.35 4.07 -1.56 -2.49 115.31 117.98 2i7k h LEU 8 Ca 0.48 -0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.39 2i7k h LEU 8 Cb 0.66 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.11 2i7k h LEU 8 CO -0.35 0.79 0.53 -0.61 -1.08 0.00 0.00 178.44 177.72 2i7k h GLN 9 N 0.97 0.78 -0.28 1.13 4.15 -0.52 -0.13 115.11 121.21 2i7k h GLN 9 Ca 0.24 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2i7k h GLN 9 Cb 0.13 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 2i7k h GLN 9 CO -0.03 0.52 0.13 1.49 -1.93 0.00 0.00 178.83 179.01 2i7k h GLU 10 N 0.80 0.40 -0.46 1.69 4.57 -1.17 -2.26 114.58 118.16 2i7k h GLU 10 Ca 0.36 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.38 2i7k h GLU 10 Cb 0.36 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2i7k h GLU 10 CO -0.14 0.39 -0.11 0.00 -1.18 0.00 0.00 179.01 177.97 2i7k h ALA 11 N 0.99 0.94 -0.43 2.92 0.00 -1.24 -2.53 119.26 119.91 2i7k h ALA 11 Ca 0.09 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2i7k h ALA 11 Cb 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2i7k h ALA 11 CO -0.01 0.62 0.22 -0.07 0.00 0.00 0.00 179.25 180.01 2i7k h LEU 12 N 0.75 0.32 -0.91 0.00 4.07 -0.80 -0.25 115.31 118.49 2i7k h LEU 12 Ca 0.12 0.02 -0.10 0.00 0.08 0.00 0.00 57.88 58.00 2i7k h LEU 12 Cb 0.61 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2i7k h LEU 12 CO 0.04 0.23 -0.31 -0.55 -1.08 0.00 0.00 178.44 176.77 2i7k h ASN 13 N 0.44 0.44 -0.19 -0.43 7.08 -1.33 -1.68 115.58 119.91 2i7k h ASN 13 Ca 0.18 -0.16 -0.03 0.00 -3.08 0.00 0.00 56.30 53.21 2i7k h ASN 13 Cb 0.08 -0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 36.19 2i7k h ASN 13 CO -0.12 0.73 0.01 1.56 -2.08 0.00 0.00 177.43 177.53 2i7k h GLN 14 N 0.37 0.33 -0.28 4.14 7.50 -0.96 -1.87 115.11 124.34 2i7k h GLN 14 Ca 0.05 -0.10 -0.08 0.00 0.50 0.00 0.00 58.65 59.02 2i7k h GLN 14 Cb 0.73 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.21 2i7k h GLN 14 CO 0.06 0.52 -0.18 -0.07 -1.50 0.00 0.00 178.83 177.66 2i7k h LEU 15 N 0.10 0.50 -0.48 1.46 3.38 -1.00 -2.52 115.31 116.75 2i7k h LEU 15 Ca 0.06 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2i7k h LEU 15 Cb 0.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2i7k h LEU 15 CO 0.01 0.69 0.12 0.24 0.09 0.00 0.00 178.44 179.59 2i7k h MET 16 N 0.46 0.77 -0.74 1.13 2.86 -1.17 -2.27 114.93 115.98 2i7k h MET 16 Ca 0.08 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 2i7k h MET 16 Cb 0.57 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2i7k h MET 16 CO 0.04 0.75 0.32 0.00 1.06 0.00 0.00 176.91 179.08 2i7k h ARG 17 N 0.66 1.09 -0.65 1.72 3.08 -1.14 -1.47 114.38 117.66 2i7k h ARG 17 Ca 0.15 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2i7k h ARG 17 Cb 0.32 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2i7k h ARG 17 CO 0.00 0.87 0.38 1.96 -1.07 0.00 0.00 179.97 182.11 2i7k h GLN 18 N 1.05 0.90 -0.29 0.04 4.20 -1.26 0.18 115.11 119.93 2i7k h GLN 18 Ca 0.25 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 2i7k h GLN 18 Cb 0.17 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2i7k h GLN 18 CO -0.03 0.66 0.04 -0.07 -0.67 0.00 0.00 178.83 178.76 2i7k h LEU 19 N 0.89 0.47 -0.66 1.46 3.38 -1.14 -1.16 115.31 118.55 2i7k h LEU 19 Ca 0.23 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2i7k h LEU 19 Cb 0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2i7k h LEU 19 CO -0.04 0.62 0.06 1.56 0.09 0.00 0.00 178.44 180.73 2i7k h GLN 20 N 0.30 1.10 0.00 1.13 4.20 -1.06 -2.69 115.11 118.10 2i7k h GLN 20 Ca 0.09 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2i7k h GLN 20 Cb 0.36 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2i7k h GLN 20 CO 0.01 1.03 0.00 -0.09 -0.67 0.00 0.00 178.83 179.11 2i7k h ARG 21 N 1.02 0.00 0.00 1.46 2.43 -0.55 -3.36 114.38 115.37 2i7k h ARG 21 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2i7k h ARG 21 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2i7k h ARG 21 CO 0.02 0.00 0.00 1.17 -1.51 0.00 0.00 179.97 179.65 2i7k n LYS 22 N -2.55 0.00 0.00 0.20 4.81 -0.45 -4.98 118.16 115.19 2i7k n LYS 22 Ca 0.03 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2i7k n LYS 22 Cb 0.34 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 33.99 2i7k n LYS 22 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2i7k n ASP 23 N -2.17 0.00 0.27 3.14 2.03 -1.26 -4.97 116.55 113.59 2i7k n ASP 23 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2i7k n ASP 23 Cb 0.00 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.13 2i7k n ASP 23 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2i7k h PRO 24 N 0.00 0.00 0.00 -0.67 0.13 -1.89 -2.10 132.00 127.47 2i7k h PRO 24 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2i7k h PRO 24 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2i7k h PRO 24 CO 0.00 0.09 -0.03 1.03 -0.23 0.00 0.00 178.00 178.86 2i7k h SER 25 N 0.00 0.00 -0.25 1.44 0.87 -1.81 -2.94 113.55 110.86 2i7k h SER 25 Ca -0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2i7k h SER 25 Cb 0.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2i7k h SER 25 CO 0.01 0.03 0.18 0.00 -0.53 0.00 0.00 176.83 176.52 2i7k h ALA 26 N 1.97 2.22 -0.27 6.23 0.00 -1.52 0.48 119.26 128.37 2i7k h ALA 26 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2i7k h ALA 26 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2i7k h ALA 26 CO 0.00 -0.29 -0.16 0.74 0.00 0.00 0.00 179.25 179.55 2i7k h PHE 27 N 0.01 0.67 -0.56 0.00 0.04 -1.72 -3.15 116.94 112.23 2i7k h PHE 27 Ca 0.12 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2i7k h PHE 27 Cb 0.46 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.46 2i7k h PHE 27 CO -0.00 0.84 0.00 1.19 -0.60 0.00 0.00 178.31 179.74 2i7k n PHE 28 N -4.42 1.52 0.31 -0.55 3.72 -0.80 -4.45 117.46 112.79 2i7k n PHE 28 Ca -0.04 -0.67 0.20 0.00 -0.05 0.00 0.00 57.45 56.89 2i7k n PHE 28 Cb 0.38 -0.32 0.93 0.00 -0.94 0.00 0.00 39.48 39.53 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 3.64 0.00 -2.78 4.37 0.87 -0.02 -2.67 113.55 116.95 2i7k h SER 29 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 2i7k h SER 29 Cb 1.56 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.38 2i7k h SER 29 CO 0.29 0.00 -0.68 0.72 -0.53 0.00 0.00 176.83 176.63 2i7k s PHE 30 N -3.88 2.01 0.08 2.24 -0.12 -1.26 -2.00 117.98 115.04 2i7k s PHE 30 Ca -0.02 -0.64 -0.31 0.00 -0.05 0.00 0.00 56.93 55.91 2i7k s PHE 30 Cb 0.11 -1.12 -0.08 0.00 -0.63 0.00 0.00 43.02 41.30 2i7k s PHE 30 CO 0.48 0.35 1.48 -1.25 -0.05 0.00 0.00 175.22 176.23 2i7k s PRO 31 N -3.69 4.27 0.97 1.99 0.04 -1.26 -4.76 135.00 132.55 2i7k s PRO 31 Ca 0.29 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 2i7k s PRO 31 Cb 0.03 -3.41 0.17 0.00 0.04 0.00 0.00 34.50 31.33 2i7k s PRO 31 CO 0.12 -0.57 1.07 1.33 0.04 0.00 0.00 177.00 178.99 2i7k n VAL 32 N 4.34 0.00 -4.09 -0.36 0.24 -1.26 -5.05 118.33 112.14 2i7k n VAL 32 Ca 0.13 -0.10 -0.05 0.00 -2.04 0.00 0.00 64.34 62.29 2i7k n VAL 32 Cb 0.42 -0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 31.80 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 -4.37 0.00 0.88 3.34 -1.04 -1.26 -4.91 114.28 106.92 2i7k n THR 33 Ca 0.10 -0.48 0.09 0.00 -2.04 0.00 0.00 64.05 61.72 2i7k n THR 33 Cb 0.53 0.19 0.46 0.00 -1.82 0.00 0.00 70.33 69.69 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 -2.15 0.00 0.00 8.00 -0.08 -1.26 -1.73 116.55 119.32 2i7k n ASP 34 Ca -0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2i7k n ASP 34 Cb 0.12 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.33 2i7k n ASP 34 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2i7k n PHE 35 N -1.26 0.00 0.07 -0.67 -1.74 -1.26 -4.72 117.46 107.88 2i7k n PHE 35 Ca 0.09 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.95 2i7k n PHE 35 Cb 0.13 0.00 0.20 0.00 1.52 0.00 0.00 39.48 41.34 2i7k n PHE 35 CO 0.00 0.00 0.00 0.82 -0.56 0.00 0.00 176.76 177.02 2i7k h ILE 36 N 0.00 1.30 -3.48 1.97 2.04 -1.94 -3.43 117.51 113.97 2i7k h ILE 36 Ca 0.00 -1.51 -0.66 0.00 1.00 0.00 0.00 64.86 63.69 2i7k h ILE 36 Cb 0.87 1.63 -0.14 0.00 -0.74 0.00 0.00 36.82 38.44 2i7k h ILE 36 CO 0.00 0.46 -0.69 0.00 0.00 0.00 0.00 178.15 177.91 2i7k s ALA 37 N -4.19 3.13 -2.02 1.87 0.00 -0.71 -4.82 121.76 115.03 2i7k s ALA 37 Ca -0.05 -1.11 0.14 0.00 0.00 0.00 0.00 51.96 50.94 2i7k s ALA 37 Cb 0.13 -1.10 0.82 0.00 0.00 0.00 0.00 23.12 22.97 2i7k s ALA 37 CO 0.78 0.66 1.54 -0.35 0.00 0.00 0.00 175.76 178.39 2i7k n PRO 38 N 0.93 1.06 0.00 0.00 -0.05 -1.26 -4.65 135.00 131.03 2i7k n PRO 38 Ca -0.13 -0.09 0.00 0.00 -0.05 0.00 0.00 63.50 63.23 2i7k n PRO 38 Cb 0.52 -1.23 0.00 0.00 -0.05 0.00 0.00 33.50 32.74 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 0.75 0.34 0.16 0.55 0.00 -1.26 -5.04 105.19 100.69 2i7k n GLY 39 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.13 -0.09 1.61 -1.99 -1.88 0.10 116.97 114.85 2i7k h TYR 40 Ca 0.00 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.78 2i7k h TYR 40 Cb 0.00 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 2i7k h TYR 40 CO 0.00 0.03 0.10 1.03 -0.00 0.00 0.00 178.16 179.32 2i7k h SER 41 N 0.20 0.00 0.01 3.88 0.87 -1.90 0.99 113.55 117.61 2i7k h SER 41 Ca 0.17 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.51 2i7k h SER 41 Cb 0.19 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2i7k h SER 41 CO -0.22 0.00 -1.20 -0.03 -0.53 0.00 0.00 176.83 174.85 2i7k h MET 42 N 0.00 0.02 0.05 2.24 -1.53 -1.58 -3.41 114.93 110.72 2i7k h MET 42 Ca 0.04 -0.04 -0.33 0.00 -3.44 0.00 0.00 59.70 55.93 2i7k h MET 42 Cb 0.24 0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.26 2i7k h MET 42 CO -0.00 1.02 -1.93 1.51 0.14 0.00 0.00 176.91 177.65 2i7k n ILE 43 N -4.38 1.65 -3.74 1.77 0.13 -0.11 -4.68 119.36 110.00 2i7k n ILE 43 Ca -0.30 -0.73 -0.35 0.00 -1.10 0.00 0.00 62.75 60.27 2i7k n ILE 43 Cb 0.69 -1.29 -0.09 0.00 -0.84 0.00 0.00 39.64 38.11 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 -2.57 3.68 0.13 9.51 -1.09 0.34 -4.98 121.20 126.22 2i7k s ILE 44 Ca -0.14 -3.41 -0.33 0.00 -2.23 0.00 0.00 60.65 54.55 2i7k s ILE 44 Cb 0.07 -3.37 -0.11 0.00 -1.58 0.00 0.00 42.46 37.47 2i7k s ILE 44 CO 0.79 -0.94 1.54 0.50 -1.23 0.00 0.00 174.94 175.60 2i7k h LYS 45 N 6.50 -0.41 -3.45 2.79 3.64 -1.78 -3.33 116.57 120.52 2i7k h LYS 45 Ca 0.04 0.03 -0.68 0.00 -1.27 0.00 0.00 60.65 58.77 2i7k h LYS 45 Cb 0.88 0.09 -0.37 0.00 -0.41 0.00 0.00 32.23 32.43 2i7k h LYS 45 CO 0.75 -0.28 -0.37 -1.01 -2.27 0.00 0.00 179.45 176.27 2i7k s HIS 46 N -5.63 3.46 0.01 1.91 3.76 -1.26 -4.87 115.29 112.67 2i7k s HIS 46 Ca -0.14 -2.89 -0.19 0.00 -0.15 0.00 0.00 55.06 51.69 2i7k s HIS 46 Cb 0.08 -3.11 -0.27 0.00 1.11 0.00 0.00 32.58 30.39 2i7k s HIS 46 CO 0.61 -0.78 1.06 -1.00 -0.85 0.00 0.00 174.74 173.77 2i7k h PRO 47 N 6.64 0.47 -5.75 8.40 0.13 -1.92 -3.44 132.00 136.53 2i7k h PRO 47 Ca 0.02 -0.59 -0.09 0.00 -0.87 0.00 0.00 66.00 64.47 2i7k h PRO 47 Cb 0.90 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2i7k h PRO 47 CO 0.73 1.23 -0.89 -0.12 -0.23 0.00 0.00 178.00 178.71 2i7k n MET 48 N -4.06 -2.18 -0.94 0.86 1.56 -1.26 -3.19 117.12 107.90 2i7k n MET 48 Ca -0.12 1.89 -0.29 0.00 -0.27 0.00 0.00 57.70 58.91 2i7k n MET 48 Cb 0.81 -3.87 0.22 0.00 2.15 0.00 0.00 33.22 32.52 2i7k n MET 48 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 2i7k s ASP 49 N -1.79 1.65 0.42 6.12 -4.77 -1.26 -4.63 116.67 112.42 2i7k s ASP 49 Ca 0.17 1.15 0.09 0.00 -3.30 0.00 0.00 52.55 50.66 2i7k s ASP 49 Cb -0.03 -1.78 0.92 0.00 -1.09 0.00 0.00 42.92 40.93 2i7k s ASP 49 CO 0.66 -3.73 2.05 -0.26 0.70 0.00 0.00 175.17 174.58 2i7k h PHE 50 N -2.31 0.38 -0.14 2.11 -1.00 -1.66 -0.30 116.94 114.03 2i7k h PHE 50 Ca -0.55 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.05 2i7k h PHE 50 Cb 1.33 -0.13 0.01 0.00 3.61 0.00 0.00 35.95 40.77 2i7k h PHE 50 CO -0.24 0.28 -0.62 0.77 -1.61 0.00 0.00 178.31 176.90 2i7k h SER 51 N 0.40 0.78 -0.05 2.17 0.02 -1.63 -1.87 113.55 113.37 2i7k h SER 51 Ca 0.10 -0.63 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 2i7k h SER 51 Cb 0.03 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 2i7k h SER 51 CO -0.02 1.28 -0.07 0.74 -1.14 0.00 0.00 176.83 177.62 2i7k h THR 52 N 0.34 1.40 -0.54 -2.27 2.02 -1.79 -2.17 112.91 109.90 2i7k h THR 52 Ca -0.04 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 2i7k h THR 52 Cb 1.25 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 69.79 2i7k h THR 52 CO 0.13 0.36 0.31 0.00 0.37 0.00 0.00 175.52 176.68 2i7k h MET 53 N -0.34 0.75 -0.82 6.66 -0.00 -1.16 -2.20 114.93 117.82 2i7k h MET 53 Ca 0.01 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 2i7k h MET 53 Cb 0.61 -0.15 -0.04 0.00 -0.00 0.00 0.00 31.60 32.02 2i7k h MET 53 CO 0.02 0.57 0.43 -0.22 -0.00 0.00 0.00 176.91 177.70 2i7k h LYS 54 N 0.72 1.15 -0.58 -0.10 3.64 -1.38 -1.86 116.57 118.15 2i7k h LYS 54 Ca 0.19 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2i7k h LYS 54 Cb 0.03 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2i7k h LYS 54 CO -0.03 0.85 0.25 1.49 -2.27 0.00 0.00 179.45 179.75 2i7k h GLU 55 N 1.15 0.84 -0.45 1.90 4.81 -1.03 -1.97 114.58 119.82 2i7k h GLU 55 Ca 0.29 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 2i7k h GLU 55 Cb 0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2i7k h GLU 55 CO -0.04 0.67 -0.13 0.87 -0.73 0.00 0.00 179.01 179.65 2i7k h LYS 56 N 0.83 0.84 -0.83 1.92 6.56 -0.75 -2.92 116.57 122.22 2i7k h LYS 56 Ca 0.20 -0.30 0.02 0.00 -1.06 0.00 0.00 60.65 59.51 2i7k h LYS 56 Cb 0.13 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 31.69 2i7k h LYS 56 CO -0.02 0.92 0.54 0.82 -2.06 0.00 0.00 179.45 179.65 2i7k h ILE 57 N 0.75 1.18 0.00 1.86 2.04 -0.61 0.45 117.51 123.19 2i7k h ILE 57 Ca 0.12 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2i7k h ILE 57 Cb 0.63 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2i7k h ILE 57 CO 0.04 0.20 -0.00 0.50 0.00 0.00 0.00 178.15 178.89 2i7k h LYS 58 N 1.09 0.00 -0.62 2.37 3.64 -1.27 -0.51 116.57 121.28 2i7k h LYS 58 Ca 0.31 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2i7k h LYS 58 Cb -0.08 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2i7k h LYS 58 CO -0.08 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.19 2i7k n ASN 59 N -3.79 5.39 -1.56 4.20 3.02 -0.49 -4.90 115.26 117.12 2i7k n ASN 59 Ca -0.03 -2.86 -0.19 0.00 -0.03 0.00 0.00 54.58 51.47 2i7k n ASN 59 Cb 0.09 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.52 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 0.57 -5.26 0.06 6.41 3.02 -0.20 -4.86 115.26 115.01 2i7k n ASN 60 Ca 0.26 0.36 -0.07 0.00 -0.03 0.00 0.00 54.58 55.10 2i7k n ASN 60 Cb 1.13 -4.38 0.09 0.00 -0.61 0.00 0.00 39.78 36.01 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 0.38 -3.75 6.41 3.58 -1.11 -3.40 116.42 118.53 2i7k h ASP 61 Ca -0.39 -0.22 -0.66 0.00 0.42 0.00 0.00 57.03 56.18 2i7k h ASP 61 Cb 1.23 -0.11 -0.38 0.00 1.72 0.00 0.00 39.33 41.79 2i7k h ASP 61 CO 0.55 0.90 -0.76 -0.31 -2.88 0.00 0.00 179.24 176.74 2i7k s TYR 62 N -3.77 3.37 -0.01 0.28 2.02 -1.25 -4.89 117.35 113.10 2i7k s TYR 62 Ca -0.05 -2.56 0.02 0.00 -0.37 0.00 0.00 57.07 54.11 2i7k s TYR 62 Cb 0.11 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2i7k s TYR 62 CO 0.81 -0.90 0.83 0.00 -1.57 0.00 0.00 175.55 174.72 2i7k n GLN 63 N 4.38 0.45 -4.50 -0.62 10.64 -1.26 -4.78 117.38 121.69 2i7k n GLN 63 Ca -0.06 -1.05 -0.21 0.00 -1.83 0.00 0.00 57.00 53.86 2i7k n GLN 63 Cb 0.42 -0.67 -0.15 0.00 -0.86 0.00 0.00 30.24 28.99 2i7k n GLN 63 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2i7k s SER 64 N -0.84 1.35 0.25 2.61 0.15 -1.26 -4.94 113.70 111.02 2i7k s SER 64 Ca 0.04 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.44 2i7k s SER 64 Cb 0.03 -0.17 0.44 0.00 -1.71 0.00 0.00 66.02 64.60 2i7k s SER 64 CO 0.00 0.14 1.79 0.16 1.20 0.00 0.00 173.24 176.53 2i7k h ILE 65 N 4.91 0.84 -0.41 6.45 3.07 -1.98 0.18 117.51 130.56 2i7k h ILE 65 Ca -0.32 -0.24 -0.15 0.00 1.55 0.00 0.00 64.86 65.69 2i7k h ILE 65 Cb 1.17 0.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.78 2i7k h ILE 65 CO 0.49 0.13 -0.32 1.05 -1.05 0.00 0.00 178.15 178.45 2i7k h GLU 66 N 0.71 0.92 -0.09 0.16 4.11 -1.97 -0.39 114.58 118.03 2i7k h GLU 66 Ca 0.41 -0.45 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2i7k h GLU 66 Cb 0.46 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2i7k h GLU 66 CO -0.29 1.10 -0.01 0.93 0.07 0.00 0.00 179.01 180.81 2i7k h GLU 67 N 0.77 0.17 -0.28 1.06 4.39 -1.77 0.19 114.58 119.11 2i7k h GLU 67 Ca 0.08 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 2i7k h GLU 67 Cb 0.90 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2i7k h GLU 67 CO 0.08 0.46 -0.32 1.37 -1.16 0.00 0.00 179.01 179.45 2i7k h LEU 68 N -0.14 0.61 -0.18 1.33 8.10 -1.03 -2.68 115.31 121.31 2i7k h LEU 68 Ca 0.02 -0.24 -0.14 0.00 0.11 0.00 0.00 57.88 57.63 2i7k h LEU 68 Cb 0.40 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 2i7k h LEU 68 CO 0.01 0.89 -0.43 0.11 -4.11 0.00 0.00 178.44 174.91 2i7k h LYS 69 N 0.50 0.60 -0.45 0.17 1.57 -1.02 -1.97 116.57 115.97 2i7k h LYS 69 Ca 0.06 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.46 2i7k h LYS 69 Cb 0.80 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 2i7k h LYS 69 CO 0.07 1.03 0.24 -0.44 -0.57 0.00 0.00 179.45 179.78 2i7k h ASP 70 N 0.27 0.37 -0.08 0.86 5.19 -0.56 0.32 116.42 122.79 2i7k h ASP 70 Ca -0.00 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 2i7k h ASP 70 Cb 1.04 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.49 2i7k h ASP 70 CO 0.09 0.26 -0.06 0.78 -3.12 0.00 0.00 179.24 177.20 2i7k h ASN 71 N 0.49 0.19 -0.07 6.45 4.21 -1.52 0.80 115.58 126.12 2i7k h ASN 71 Ca 0.19 -0.46 0.01 0.00 1.21 0.00 0.00 56.30 57.25 2i7k h ASN 71 Cb 0.07 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 2i7k h ASN 71 CO -0.12 0.61 0.02 0.15 -1.29 0.00 0.00 177.43 176.80 2i7k h PHE 72 N -0.23 0.03 -0.39 1.19 3.57 -1.21 -2.32 116.94 117.58 2i7k h PHE 72 Ca 0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2i7k h PHE 72 Cb 0.55 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2i7k h PHE 72 CO 0.08 0.02 0.02 0.87 -2.23 0.00 0.00 178.31 177.07 2i7k h LYS 73 N 0.05 0.60 -0.43 1.11 1.57 -0.41 -2.51 116.57 116.56 2i7k h LYS 73 Ca 0.03 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2i7k h LYS 73 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2i7k h LYS 73 CO -0.04 0.61 0.28 -0.07 -0.57 0.00 0.00 179.45 179.66 2i7k h LEU 74 N 0.58 0.49 -0.47 2.94 3.38 -0.32 0.20 115.31 122.11 2i7k h LEU 74 Ca 0.12 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2i7k h LEU 74 Cb 0.33 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2i7k h LEU 74 CO 0.01 0.35 -0.02 -0.03 0.09 0.00 0.00 178.44 178.84 2i7k h MET 75 N 0.58 0.84 -0.04 1.13 4.05 -1.25 0.54 114.93 120.77 2i7k h MET 75 Ca 0.16 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2i7k h MET 75 Cb -0.06 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2i7k h MET 75 CO -0.04 0.90 0.02 0.00 0.23 0.00 0.00 176.91 178.02 2i7k h THR 77 N 0.04 1.29 -0.32 0.00 2.02 -0.53 -2.01 112.91 113.40 2i7k h THR 77 Ca 0.02 -1.57 -0.11 0.00 0.77 0.00 0.00 66.41 65.52 2i7k h THR 77 Cb 0.00 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 2i7k h THR 77 CO -0.02 0.50 -0.26 0.78 0.37 0.00 0.00 175.52 176.90 2i7k h ASN 78 N 0.56 0.66 -0.22 4.18 4.21 0.38 -0.42 115.58 124.93 2i7k h ASN 78 Ca 0.05 -0.24 -0.17 0.00 1.21 0.00 0.00 56.30 57.15 2i7k h ASN 78 Cb 0.93 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 2i7k h ASN 78 CO 0.08 0.89 -0.52 0.00 -1.29 0.00 0.00 177.43 176.59 2i7k h ALA 79 N 1.15 0.35 -0.02 -0.83 0.00 0.08 -2.58 119.26 117.42 2i7k h ALA 79 Ca 0.07 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 2i7k h ALA 79 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2i7k h ALA 79 CO 0.06 0.55 -0.66 0.00 0.00 0.00 0.00 179.25 179.20 2i7k h MET 80 N 0.46 0.10 -0.15 0.00 -0.00 -1.30 -2.76 114.93 111.28 2i7k h MET 80 Ca -0.00 -0.08 -0.06 0.00 -0.00 0.00 0.00 59.70 59.55 2i7k h MET 80 Cb 1.14 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.75 2i7k h MET 80 CO 0.11 0.72 -0.16 0.97 -0.00 0.00 0.00 176.91 178.55 2i7k h ILE 81 N 0.07 1.35 -0.86 -0.10 2.10 -1.07 -3.17 117.51 115.82 2i7k h ILE 81 Ca -0.01 -1.34 -0.55 0.00 1.08 0.00 0.00 64.86 64.04 2i7k h ILE 81 Cb 1.18 1.89 -0.26 0.00 -1.09 0.00 0.00 36.82 38.54 2i7k h ILE 81 CO 0.09 0.39 0.71 0.00 -1.08 0.00 0.00 178.15 178.26 2i7k n TYR 82 N -4.54 2.76 -3.15 2.19 9.36 -0.98 -4.75 117.16 118.06 2i7k n TYR 82 Ca -0.06 -2.45 0.05 0.00 3.32 0.00 0.00 57.90 58.75 2i7k n TYR 82 Cb 0.38 -1.20 -0.01 0.00 -0.63 0.00 0.00 39.34 37.88 2i7k n TYR 82 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2i7k s ASN 83 N -1.22 -0.96 0.83 2.98 3.84 -1.04 -4.87 114.94 114.50 2i7k s ASN 83 Ca 0.54 0.32 -0.12 0.00 0.21 0.00 0.00 52.86 53.81 2i7k s ASN 83 Cb 0.43 1.69 0.09 0.00 -0.55 0.00 0.00 41.25 42.92 2i7k s ASN 83 CO 0.02 -0.18 1.15 -0.54 -2.79 0.00 0.00 177.10 174.76 2i7k s LYS 84 N 2.90 1.78 -0.80 0.43 1.02 -1.26 -4.54 119.74 119.27 2i7k s LYS 84 Ca 0.14 0.27 -0.26 0.00 0.02 0.00 0.00 55.97 56.14 2i7k s LYS 84 Cb -0.09 -1.92 -0.22 0.00 -0.52 0.00 0.00 37.83 35.09 2i7k s LYS 84 CO -0.20 -1.75 1.91 -0.35 -0.92 0.00 0.00 175.35 174.03 2i7k n PRO 85 N -3.46 0.73 0.01 -1.68 -0.04 -1.26 -4.49 135.00 124.82 2i7k n PRO 85 Ca 0.07 -1.77 -0.03 0.00 -0.04 0.00 0.00 63.50 61.74 2i7k n PRO 85 Cb 0.59 -3.36 -0.02 0.00 -0.04 0.00 0.00 33.50 30.68 2i7k n PRO 85 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2i7k h GLU 86 N 10.06 -0.14 0.00 0.54 4.81 -1.98 -3.49 114.58 124.37 2i7k h GLU 86 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2i7k h GLU 86 Cb 0.85 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2i7k h GLU 86 CO 1.49 -0.05 0.00 0.25 -0.73 0.00 0.00 179.01 179.97 2i7k n THR 87 N -4.87 0.00 -0.28 0.32 -2.24 -1.26 -5.01 114.28 100.94 2i7k n THR 87 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2i7k n THR 87 Cb 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.55 0.12 -0.06 2.28 -0.00 -1.26 -4.74 119.36 115.16 2i7k n ILE 88 Ca 0.00 -0.42 -0.12 0.00 -0.00 0.00 0.00 62.75 62.21 2i7k n ILE 88 Cb 0.00 1.17 -0.06 0.00 -0.00 0.00 0.00 39.64 40.75 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 0.35 -0.31 1.39 0.05 -1.95 0.14 116.97 116.63 2i7k h TYR 89 Ca 0.00 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 2i7k h TYR 89 Cb 0.22 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2i7k h TYR 89 CO 0.00 0.55 0.06 -0.92 -1.05 0.00 0.00 178.16 176.79 2i7k h TYR 90 N 0.05 0.55 -0.70 4.88 5.03 -1.84 -2.53 116.97 122.41 2i7k h TYR 90 Ca 0.05 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.22 2i7k h TYR 90 Cb 0.42 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 2i7k h TYR 90 CO 0.04 0.59 0.20 -0.22 -1.32 0.00 0.00 178.16 177.45 2i7k h LYS 91 N 0.35 1.09 -0.54 1.82 3.64 -1.84 -2.50 116.57 118.58 2i7k h LYS 91 Ca 0.10 -0.24 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2i7k h LYS 91 Cb 0.33 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2i7k h LYS 91 CO 0.00 0.94 0.31 0.00 -2.27 0.00 0.00 179.45 178.44 2i7k h ALA 92 N 1.17 0.70 -0.37 5.00 0.00 -0.57 0.53 119.26 125.72 2i7k h ALA 92 Ca 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2i7k h ALA 92 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2i7k h ALA 92 CO -0.00 0.01 0.19 0.00 0.00 0.00 0.00 179.25 179.44 2i7k h ALA 93 N 1.26 0.47 -0.84 0.00 0.00 -1.24 -1.92 119.26 116.99 2i7k h ALA 93 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2i7k h ALA 93 Cb 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2i7k h ALA 93 CO -0.12 0.01 0.43 -0.22 0.00 0.00 0.00 179.25 179.36 2i7k h LYS 94 N 0.46 1.19 -0.82 0.00 3.64 -1.04 -2.02 116.57 117.99 2i7k h LYS 94 Ca 0.13 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2i7k h LYS 94 Cb 0.08 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 2i7k h LYS 94 CO -0.02 0.90 0.46 -0.22 -2.27 0.00 0.00 179.45 178.30 2i7k h LYS 95 N 1.19 1.14 -0.26 1.90 1.63 -0.60 -2.16 116.57 119.40 2i7k h LYS 95 Ca 0.29 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2i7k h LYS 95 Cb 0.07 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.47 2i7k h LYS 95 CO -0.04 0.83 0.05 -0.07 -3.45 0.00 0.00 179.45 176.77 2i7k h LEU 96 N 1.14 0.41 -0.87 5.20 -0.00 -0.99 -2.48 115.31 117.72 2i7k h LEU 96 Ca 0.29 -0.25 0.09 0.00 -0.00 0.00 0.00 57.88 58.01 2i7k h LEU 96 Cb 0.02 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 40.49 2i7k h LEU 96 CO -0.05 0.55 0.52 0.25 -0.00 0.00 0.00 178.44 179.71 2i7k h LEU 97 N 0.25 0.76 -0.52 1.67 6.46 -1.13 0.31 115.31 123.12 2i7k h LEU 97 Ca 0.08 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2i7k h LEU 97 Cb 0.31 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2i7k h LEU 97 CO 0.00 0.44 0.24 -0.74 -0.62 0.00 0.00 178.44 177.77 2i7k h HIS 98 N 0.87 0.75 -0.34 1.25 2.76 -1.22 -0.67 115.15 118.56 2i7k h HIS 98 Ca 0.41 -0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.38 2i7k h HIS 98 Cb 0.34 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 2i7k h HIS 98 CO -0.04 0.60 -0.41 1.03 -1.30 0.00 0.00 177.93 177.80 2i7k h SER 99 N 0.69 0.94 -0.35 3.26 0.87 -0.88 -2.52 113.55 115.57 2i7k h SER 99 Ca 0.18 -0.49 -0.07 0.00 -1.23 0.00 0.00 61.79 60.18 2i7k h SER 99 Cb 0.13 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2i7k h SER 99 CO -0.02 1.24 -0.00 1.23 -0.53 0.00 0.00 176.83 178.75 2i7k h GLY 100 N 0.67 0.77 0.72 5.77 0.00 -0.24 0.05 103.07 110.80 2i7k h GLY 100 Ca 0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2i7k h GLY 100 CO 0.10 0.46 -0.15 -0.33 0.00 0.00 0.00 176.54 176.62 2i7k h MET 101 N 0.67 0.33 -0.37 4.80 2.86 -1.09 -2.43 114.93 119.70 2i7k h MET 101 Ca 0.13 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 2i7k h MET 101 Cb 0.42 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2i7k h MET 101 CO 0.02 0.74 -0.14 1.57 1.06 0.00 0.00 176.91 180.16 2i7k h LYS 102 N -0.07 0.75 -0.47 1.72 5.09 -1.36 -2.85 116.57 119.38 2i7k h LYS 102 Ca 0.02 -0.31 -0.04 0.00 0.09 0.00 0.00 60.65 60.41 2i7k h LYS 102 Cb 0.69 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.97 2i7k h LYS 102 CO 0.04 0.92 0.12 -0.84 -2.09 0.00 0.00 179.45 177.59 2i7k h ILE 103 N 0.54 1.20 0.00 0.07 -0.00 -1.05 -1.86 117.51 116.41 2i7k h ILE 103 Ca 0.09 -0.72 -0.01 0.00 -0.00 0.00 0.00 64.86 64.22 2i7k h ILE 103 Cb 0.67 0.72 -0.00 0.00 -0.00 0.00 0.00 36.82 38.20 2i7k h ILE 103 CO 0.05 0.27 -0.06 -0.07 -0.00 0.00 0.00 178.15 178.34 2i7k h LEU 104 N 0.69 0.00 -2.07 0.16 3.38 -1.35 -2.66 115.31 113.46 2i7k h LEU 104 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2i7k h LEU 104 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2i7k h LEU 104 CO -0.00 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.38 2i7k n SER 105 N -3.18 3.06 -0.08 -0.43 7.64 -0.70 -3.87 113.62 116.05 2i7k n SER 105 Ca 0.00 -2.36 -0.07 0.00 1.01 0.00 0.00 58.87 57.45 2i7k n SER 105 Cb 0.33 -0.52 -0.14 0.00 -1.01 0.00 0.00 64.21 62.87 2i7k n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2i7k n GLN 106 N 0.37 1.10 -0.12 1.43 6.02 -1.00 -4.43 117.38 120.75 2i7k n GLN 106 Ca 0.14 -0.02 0.17 0.00 -0.01 0.00 0.00 57.00 57.27 2i7k n GLN 106 Cb 0.63 -1.45 0.56 0.00 1.02 0.00 0.00 30.24 31.00 2i7k n GLN 106 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2i7k h GLU 107 N 0.00 0.28 -1.32 -1.09 5.08 -1.74 -1.33 114.58 114.47 2i7k h GLU 107 Ca -0.44 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.23 2i7k h GLU 107 Cb 1.99 -0.06 -0.32 0.00 0.50 0.00 0.00 28.75 30.86 2i7k h GLU 107 CO 0.02 0.19 0.46 2.89 -1.00 0.00 0.00 179.01 181.57 2i7k n ARG 108 N -4.45 2.95 0.05 2.33 1.85 -1.26 -4.62 116.66 113.51 2i7k n ARG 108 Ca 0.13 -3.65 0.00 0.00 -1.00 0.00 0.00 57.85 53.33 2i7k n ARG 108 Cb 0.55 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 2i7k n ARG 108 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2i7k n LEU 109 N -0.72 0.30 -3.99 2.89 4.77 -0.50 -5.07 117.00 114.67 2i7k n LEU 109 Ca 0.54 0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.38 2i7k n LEU 109 Cb 0.58 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.50 2i7k n LEU 109 CO 0.59 -0.64 -0.47 -1.61 -1.33 0.00 0.00 177.39 173.93 2i7k s GLU 110 N -1.52 2.07 -0.18 3.23 8.01 -1.24 -4.99 118.70 124.08 2i7k s GLU 110 Ca 0.00 -0.68 0.13 0.00 0.01 0.00 0.00 54.97 54.43 2i7k s GLU 110 Cb 0.00 -2.23 0.42 0.00 -4.31 0.00 0.00 34.13 28.01 2i7k s GLU 110 CO 0.00 -0.35 1.21 -2.39 0.01 0.00 0.00 175.26 173.75 2i7k n HIS 111 N 4.74 0.02 -3.60 1.61 1.44 -1.26 -4.95 115.22 113.22 2i7k n HIS 111 Ca -0.15 -1.37 -0.16 0.00 -2.01 0.00 0.00 57.72 54.03 2i7k n HIS 111 Cb 0.48 -0.24 -0.07 0.00 0.12 0.00 0.00 29.99 30.28 2i7k n HIS 111 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2i7k s HIS 112 N -2.80 -0.55 -1.03 -1.40 -3.43 -1.26 -5.10 115.29 99.72 2i7k s HIS 112 Ca 0.38 1.02 -0.15 0.00 -0.80 0.00 0.00 55.06 55.50 2i7k s HIS 112 Cb 0.37 0.30 0.17 0.00 -1.43 0.00 0.00 32.58 32.00 2i7k s HIS 112 CO -0.08 -0.51 1.18 -1.58 -2.00 0.00 0.00 174.74 171.75 2i7k s HIS 113 N -0.95 3.45 -0.61 0.38 2.46 -1.26 -4.95 115.29 113.81 2i7k s HIS 113 Ca -0.10 -1.86 -0.02 0.00 0.47 0.00 0.00 55.06 53.56 2i7k s HIS 113 Cb -0.02 -4.18 0.16 0.00 -0.13 0.00 0.00 32.58 28.40 2i7k s HIS 113 CO 0.07 -1.33 0.42 -1.58 -2.47 0.00 0.00 174.74 169.84 2i7k s HIS 114 N 1.56 3.37 0.00 3.88 5.04 -1.26 -4.81 115.29 123.07 2i7k s HIS 114 Ca 0.34 -2.80 0.00 0.00 -1.54 0.00 0.00 55.06 51.06 2i7k s HIS 114 Cb -0.05 -3.14 0.00 0.00 0.04 0.00 0.00 32.58 29.43 2i7k s HIS 114 CO -0.06 -0.82 0.00 0.72 -2.34 0.00 0.00 174.74 172.24 2i7k n HIS 115 N 3.40 0.00 0.29 3.88 8.25 -1.26 -5.25 115.22 124.53 2i7k n HIS 115 Ca 0.08 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.57 2i7k n HIS 115 Cb 0.37 0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.56 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70