#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 -2.51 -1.33 0.03 0.00 -1.26 -5.01 120.64 110.56 2i7k n GLU 1 Ca 0.00 2.18 0.03 0.00 0.00 0.00 0.00 57.16 59.36 2i7k n GLU 1 Cb 0.00 -5.00 0.01 0.00 0.00 0.00 0.00 31.44 26.45 2i7k n GLU 1 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2i7k n GLU 2 N 0.09 0.00 0.00 5.31 1.02 -1.26 -4.83 120.64 120.97 2i7k n GLU 2 Ca 0.06 -1.78 0.01 0.00 -0.02 0.00 0.00 57.16 55.43 2i7k n GLU 2 Cb 0.22 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 2i7k n GLU 2 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2i7k n VAL 3 N 0.40 0.00 0.38 2.62 0.24 -1.26 -4.62 118.33 116.09 2i7k n VAL 3 Ca 0.03 -0.48 0.11 0.00 -2.04 0.00 0.00 64.34 61.96 2i7k n VAL 3 Cb 1.06 1.03 0.48 0.00 -1.47 0.00 0.00 33.84 34.94 2i7k n VAL 3 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2i7k n GLU 4 N -0.33 0.18 0.09 7.34 -0.58 -1.26 -2.51 120.64 123.57 2i7k n GLU 4 Ca 0.01 0.43 -0.04 0.00 -0.42 0.00 0.00 57.16 57.14 2i7k n GLU 4 Cb 0.05 -1.85 -0.04 0.00 -0.57 0.00 0.00 31.44 29.03 2i7k n GLU 4 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2i7k h GLN 5 N 0.00 0.00 0.24 3.49 4.20 -1.98 -3.35 115.11 117.72 2i7k h GLN 5 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2i7k h GLN 5 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2i7k h GLN 5 CO 0.00 0.82 -0.11 1.15 -0.67 0.00 0.00 178.83 180.01 2i7k h THR 6 N 0.00 0.81 -0.94 -0.54 2.02 -1.82 -2.97 112.91 109.47 2i7k h THR 6 Ca -0.01 -0.27 0.24 0.00 0.77 0.00 0.00 66.41 67.15 2i7k h THR 6 Cb 1.58 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.90 2i7k h THR 6 CO 0.11 0.06 0.64 -0.65 0.37 0.00 0.00 175.52 176.05 2i7k h PRO 7 N -0.45 0.21 -0.77 6.66 0.11 -1.70 0.01 132.00 136.06 2i7k h PRO 7 Ca -0.03 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.15 2i7k h PRO 7 Cb 0.34 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.36 2i7k h PRO 7 CO 0.05 0.14 0.50 -0.07 -0.21 0.00 0.00 178.00 178.41 2i7k h LEU 8 N 0.21 0.67 -0.49 2.35 3.38 -1.65 -1.53 115.31 118.25 2i7k h LEU 8 Ca 0.48 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.41 2i7k h LEU 8 Cb 1.50 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2i7k h LEU 8 CO -0.12 0.41 0.12 -0.61 0.09 0.00 0.00 178.44 178.34 2i7k h GLN 9 N 0.75 0.79 -0.32 1.13 4.15 -1.08 -1.30 115.11 119.23 2i7k h GLN 9 Ca 0.34 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2i7k h GLN 9 Cb 0.36 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2i7k h GLN 9 CO -0.12 0.77 0.18 1.49 -1.93 0.00 0.00 178.83 179.22 2i7k h GLU 10 N 0.67 0.44 -0.70 1.69 4.57 -1.35 -1.00 114.58 118.90 2i7k h GLU 10 Ca 0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2i7k h GLU 10 Cb 0.34 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2i7k h GLU 10 CO 0.00 0.36 0.38 0.00 -1.18 0.00 0.00 179.01 178.57 2i7k h ALA 11 N 1.06 0.90 -0.45 2.92 0.00 -1.26 -2.22 119.26 120.21 2i7k h ALA 11 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2i7k h ALA 11 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2i7k h ALA 11 CO -0.02 0.41 0.25 1.25 0.00 0.00 0.00 179.25 181.15 2i7k h LEU 12 N 0.96 0.55 -1.41 0.00 6.46 -0.96 -2.28 115.31 118.64 2i7k h LEU 12 Ca 0.25 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2i7k h LEU 12 Cb 0.04 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2i7k h LEU 12 CO -0.04 0.46 0.42 0.78 -0.62 0.00 0.00 178.44 179.45 2i7k h ASN 13 N 0.59 0.68 -0.45 1.25 2.35 -0.90 -2.06 115.58 117.04 2i7k h ASN 13 Ca 0.16 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 2i7k h ASN 13 Cb 0.03 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2i7k h ASN 13 CO -0.03 0.47 0.09 -0.61 -1.65 0.00 0.00 177.43 175.71 2i7k h GLN 14 N 0.79 0.73 -0.52 0.81 5.75 -0.90 -2.11 115.11 119.66 2i7k h GLN 14 Ca 0.25 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 2i7k h GLN 14 Cb 0.02 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 2i7k h GLN 14 CO -0.06 0.74 0.25 1.25 -2.65 0.00 0.00 178.83 178.35 2i7k h LEU 15 N 0.60 0.33 -0.74 -2.39 6.46 -0.84 0.16 115.31 118.89 2i7k h LEU 15 Ca 0.14 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2i7k h LEU 15 Cb 0.35 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2i7k h LEU 15 CO 0.00 0.23 0.46 0.24 -0.62 0.00 0.00 178.44 178.75 2i7k h MET 16 N 0.48 1.00 -0.24 1.25 2.86 -1.27 -0.32 114.93 118.68 2i7k h MET 16 Ca 0.24 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2i7k h MET 16 Cb 0.18 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2i7k h MET 16 CO -0.19 0.69 -0.02 0.00 1.06 0.00 0.00 176.91 178.45 2i7k h ARG 17 N 1.01 0.44 -0.56 1.72 2.47 -0.67 0.17 114.38 118.97 2i7k h ARG 17 Ca 0.27 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2i7k h ARG 17 Cb -0.06 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 2i7k h ARG 17 CO -0.05 0.64 0.37 1.96 0.56 0.00 0.00 179.97 183.44 2i7k h GLN 18 N 0.20 0.73 -0.26 0.04 7.50 -0.48 0.12 115.11 122.95 2i7k h GLN 18 Ca 0.07 -0.04 -0.15 0.00 0.50 0.00 0.00 58.65 59.03 2i7k h GLN 18 Cb 0.46 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 2i7k h GLN 18 CO 0.02 0.48 -0.44 -0.07 -1.50 0.00 0.00 178.83 177.32 2i7k h LEU 19 N 0.75 0.70 -0.76 1.46 3.38 -0.99 -2.68 115.31 117.17 2i7k h LEU 19 Ca 0.21 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 2i7k h LEU 19 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2i7k h LEU 19 CO -0.05 1.04 -0.23 1.56 0.09 0.00 0.00 178.44 180.85 2i7k h GLN 20 N 0.53 0.69 0.00 1.13 4.20 -0.23 -2.70 115.11 118.73 2i7k h GLN 20 Ca 0.04 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2i7k h GLN 20 Cb 0.97 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2i7k h GLN 20 CO 0.09 0.86 0.00 0.00 -0.67 0.00 0.00 178.83 179.11 2i7k h ARG 21 N 0.60 0.00 0.00 1.46 3.08 -0.69 -3.36 114.38 115.47 2i7k h ARG 21 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2i7k h ARG 21 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2i7k h ARG 21 CO 0.05 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 180.12 2i7k n LYS 22 N -2.54 0.00 0.00 0.04 0.00 -1.02 -4.99 118.16 109.66 2i7k n LYS 22 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 58.31 58.87 2i7k n LYS 22 Cb 0.36 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 34.04 2i7k n LYS 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2i7k n ASP 23 N -1.85 0.00 0.31 3.14 8.00 -1.26 -4.97 116.55 119.92 2i7k n ASP 23 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 2i7k n ASP 23 Cb 0.00 0.00 1.05 0.00 -0.02 0.00 0.00 41.12 42.15 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 -0.82 -0.24 0.11 -1.89 -2.44 132.00 126.72 2i7k h PRO 24 Ca 0.00 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.20 2i7k h PRO 24 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2i7k h PRO 24 CO 0.00 0.00 0.53 0.66 -0.21 0.00 0.00 178.00 178.98 2i7k h SER 25 N 0.00 0.71 -0.99 -2.05 4.64 -1.84 -1.60 113.55 112.42 2i7k h SER 25 Ca 0.01 0.02 0.25 0.00 -0.47 0.00 0.00 61.79 61.60 2i7k h SER 25 Cb 0.12 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.01 2i7k h SER 25 CO -0.00 0.43 0.66 0.00 -0.87 0.00 0.00 176.83 177.06 2i7k h ALA 26 N 1.58 2.42 -0.08 5.18 0.00 -1.72 0.56 119.26 127.21 2i7k h ALA 26 Ca 0.37 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 2i7k h ALA 26 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2i7k h ALA 26 CO -0.14 -0.76 -0.23 0.74 0.00 0.00 0.00 179.25 178.86 2i7k h PHE 27 N 0.29 0.14 -1.19 0.00 -1.00 -1.50 -3.35 116.94 110.33 2i7k h PHE 27 Ca 0.52 -0.02 -0.39 0.00 2.81 0.00 0.00 57.97 60.89 2i7k h PHE 27 Cb 1.51 -0.04 -0.30 0.00 3.61 0.00 0.00 35.95 40.74 2i7k h PHE 27 CO -0.00 0.36 -0.89 1.97 -1.61 0.00 0.00 178.31 178.14 2i7k n PHE 28 N -4.21 -1.16 0.02 -0.55 1.16 0.12 -4.91 117.46 107.94 2i7k n PHE 28 Ca -0.01 -3.08 0.00 0.00 -1.87 0.00 0.00 57.45 52.49 2i7k n PHE 28 Cb 0.32 0.42 -0.00 0.00 -1.61 0.00 0.00 39.48 38.61 2i7k n PHE 28 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2i7k n SER 29 N 0.53 0.50 -4.04 5.98 2.88 0.15 -3.09 113.62 116.53 2i7k n SER 29 Ca 0.17 -0.75 -0.17 0.00 -1.33 0.00 0.00 58.87 56.79 2i7k n SER 29 Cb 0.66 0.53 -0.14 0.00 -0.75 0.00 0.00 64.21 64.51 2i7k n SER 29 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2i7k s PHE 30 N -0.58 0.78 -0.40 0.66 2.19 -1.26 -2.49 117.98 116.88 2i7k s PHE 30 Ca 0.00 -0.24 -0.36 0.00 0.33 0.00 0.00 56.93 56.66 2i7k s PHE 30 Cb 0.00 -0.49 -0.13 0.00 -1.31 0.00 0.00 43.02 41.10 2i7k s PHE 30 CO 0.01 -0.02 2.21 -2.30 1.83 0.00 0.00 175.22 176.96 2i7k n PRO 31 N 2.42 0.86 -0.62 10.12 -0.02 -1.26 -4.91 135.00 141.59 2i7k n PRO 31 Ca -0.16 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 2i7k n PRO 31 Cb 0.56 -2.31 0.19 0.00 -0.02 0.00 0.00 33.50 31.93 2i7k n PRO 31 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2i7k n VAL 32 N 7.14 0.00 -3.73 -1.45 0.24 -1.26 -5.06 118.33 114.21 2i7k n VAL 32 Ca 0.44 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 2i7k n VAL 32 Cb 0.19 -0.77 0.00 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 -4.49 0.00 0.92 3.34 -1.04 -1.26 -4.91 114.28 106.84 2i7k n THR 33 Ca 0.03 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.13 2i7k n THR 33 Cb 0.57 0.00 0.47 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 -1.68 0.00 0.00 8.00 2.03 -1.26 -2.67 116.55 120.97 2i7k n ASP 34 Ca 0.00 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2i7k n ASP 34 Cb 0.00 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 2i7k n ASP 34 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2i7k n PHE 35 N -1.22 0.00 -0.03 -0.67 -1.74 -1.26 -4.79 117.46 107.76 2i7k n PHE 35 Ca 0.10 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 57.00 2i7k n PHE 35 Cb 0.12 0.00 0.34 0.00 1.52 0.00 0.00 39.48 41.47 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 1.16 -2.80 1.97 2.04 -1.94 -3.42 117.51 114.52 2i7k h ILE 36 Ca 0.00 -0.48 -0.64 0.00 1.00 0.00 0.00 64.86 64.74 2i7k h ILE 36 Cb 0.52 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 2i7k h ILE 36 CO 0.00 0.19 -0.46 0.00 0.00 0.00 0.00 178.15 177.88 2i7k s ALA 37 N -5.29 3.91 -2.03 1.87 0.00 -1.09 -4.82 121.76 114.31 2i7k s ALA 37 Ca -0.08 -0.69 0.10 0.00 0.00 0.00 0.00 51.96 51.29 2i7k s ALA 37 Cb 0.17 -1.95 0.52 0.00 0.00 0.00 0.00 23.12 21.86 2i7k s ALA 37 CO 0.75 0.70 1.35 -0.35 0.00 0.00 0.00 175.76 178.21 2i7k n PRO 38 N 1.20 1.17 0.00 0.00 -0.05 -1.26 -4.67 135.00 131.39 2i7k n PRO 38 Ca -0.13 -0.27 0.00 0.00 -0.05 0.00 0.00 63.50 63.05 2i7k n PRO 38 Cb 0.53 -1.18 0.00 0.00 -0.05 0.00 0.00 33.50 32.80 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 0.74 0.81 0.23 0.55 0.00 -1.26 -5.03 105.19 101.23 2i7k n GLY 39 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.49 -0.24 1.61 -1.99 -1.89 -1.24 116.97 112.74 2i7k h TYR 40 Ca 0.00 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.67 2i7k h TYR 40 Cb 0.00 0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 2i7k h TYR 40 CO 0.00 -0.26 -0.24 1.03 -0.00 0.00 0.00 178.16 178.69 2i7k h SER 41 N -0.20 0.44 0.85 3.88 0.87 -1.86 0.75 113.55 118.28 2i7k h SER 41 Ca 0.12 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2i7k h SER 41 Cb 0.39 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2i7k h SER 41 CO -0.32 0.68 0.00 -0.03 -0.53 0.00 0.00 176.83 176.63 2i7k h MET 42 N 0.39 0.00 0.00 2.24 -1.53 -1.73 -3.29 114.93 111.02 2i7k h MET 42 Ca 0.06 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.31 2i7k h MET 42 Cb 0.64 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.68 2i7k h MET 42 CO 0.05 0.00 -1.05 1.51 0.14 0.00 0.00 176.91 177.56 2i7k n ILE 43 N -2.51 0.05 -3.67 1.77 0.13 -0.55 -5.00 119.36 109.57 2i7k n ILE 43 Ca 0.02 -0.03 -0.23 0.00 -1.10 0.00 0.00 62.75 61.41 2i7k n ILE 43 Cb 0.26 -0.96 -0.18 0.00 -0.84 0.00 0.00 39.64 37.92 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 2i7k s ILE 44 N -2.02 0.01 0.04 9.51 1.10 0.26 -5.07 121.20 125.03 2i7k s ILE 44 Ca -0.00 0.14 -0.11 0.00 -0.51 0.00 0.00 60.65 60.17 2i7k s ILE 44 Cb 0.00 -0.40 -0.04 0.00 0.15 0.00 0.00 42.46 42.17 2i7k s ILE 44 CO 0.03 0.03 1.17 0.11 -2.11 0.00 0.00 174.94 174.17 2i7k h LYS 45 N 8.40 -0.19 -3.96 3.50 1.57 -1.76 -3.27 116.57 120.86 2i7k h LYS 45 Ca -0.14 0.01 -0.68 0.00 -1.87 0.00 0.00 60.65 57.97 2i7k h LYS 45 Cb 1.13 0.04 -0.36 0.00 0.08 0.00 0.00 32.23 33.12 2i7k h LYS 45 CO 0.22 -0.13 -0.50 -1.01 -0.57 0.00 0.00 179.45 177.46 2i7k s HIS 46 N -3.85 3.47 0.10 -1.35 3.76 -1.26 -4.78 115.29 111.38 2i7k s HIS 46 Ca -0.05 -2.72 0.02 0.00 -0.15 0.00 0.00 55.06 52.16 2i7k s HIS 46 Cb 0.02 -3.12 -0.24 0.00 1.11 0.00 0.00 32.58 30.34 2i7k s HIS 46 CO 0.19 -0.88 1.21 -1.00 -0.85 0.00 0.00 174.74 173.41 2i7k h PRO 47 N 7.34 0.12 -5.76 8.40 0.13 -1.91 -3.46 132.00 136.86 2i7k h PRO 47 Ca -0.07 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2i7k h PRO 47 Cb 0.98 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2i7k h PRO 47 CO 0.69 1.10 -0.99 -0.12 -0.23 0.00 0.00 178.00 178.44 2i7k n MET 48 N -3.43 -1.90 -0.94 0.86 1.56 -1.26 -3.12 117.12 108.88 2i7k n MET 48 Ca -0.04 1.79 -0.29 0.00 -0.27 0.00 0.00 57.70 58.89 2i7k n MET 48 Cb 0.98 -3.22 0.22 0.00 2.15 0.00 0.00 33.22 33.35 2i7k n MET 48 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2i7k s ASP 49 N -1.35 1.33 0.36 6.12 1.11 -1.26 -4.52 116.67 118.47 2i7k s ASP 49 Ca 0.01 1.02 0.05 0.00 0.18 0.00 0.00 52.55 53.82 2i7k s ASP 49 Cb -0.00 -1.56 0.73 0.00 1.07 0.00 0.00 42.92 43.16 2i7k s ASP 49 CO 0.41 -3.91 1.98 -0.26 1.18 0.00 0.00 175.17 174.57 2i7k h PHE 50 N -2.43 0.75 -0.19 4.23 -1.00 -1.77 -1.56 116.94 114.96 2i7k h PHE 50 Ca -0.52 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.09 2i7k h PHE 50 Cb 1.32 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 40.64 2i7k h PHE 50 CO -0.83 0.42 -0.60 1.03 -1.61 0.00 0.00 178.31 176.72 2i7k h SER 51 N 0.76 0.87 -0.08 2.17 0.87 -1.76 -1.92 113.55 114.46 2i7k h SER 51 Ca 0.28 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2i7k h SER 51 Cb 0.15 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2i7k h SER 51 CO -0.08 1.31 0.05 0.74 -0.53 0.00 0.00 176.83 178.31 2i7k h THR 52 N 0.47 1.03 -0.66 2.23 2.02 -1.71 -0.90 112.91 115.40 2i7k h THR 52 Ca -0.02 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 2i7k h THR 52 Cb 1.23 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 2i7k h THR 52 CO 0.13 0.03 0.21 0.00 0.37 0.00 0.00 175.52 176.26 2i7k h MET 53 N 0.10 1.01 -0.74 6.66 3.00 -1.36 -2.50 114.93 121.10 2i7k h MET 53 Ca 0.03 -0.21 0.02 0.00 0.00 0.00 0.00 59.70 59.54 2i7k h MET 53 Cb -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 31.60 31.41 2i7k h MET 53 CO -0.01 0.88 0.48 -0.22 0.00 0.00 0.00 176.91 178.04 2i7k h LYS 54 N 0.95 0.91 -0.71 -0.10 3.11 -1.06 -0.66 116.57 119.00 2i7k h LYS 54 Ca 0.21 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.96 2i7k h LYS 54 Cb 0.29 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.28 2i7k h LYS 54 CO -0.01 0.61 0.30 1.49 -2.81 0.00 0.00 179.45 179.02 2i7k h GLU 55 N 0.94 1.05 -0.52 1.90 4.81 -0.95 -2.51 114.58 119.30 2i7k h GLU 55 Ca 0.29 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2i7k h GLU 55 Cb -0.02 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2i7k h GLU 55 CO -0.10 0.84 -0.02 0.87 -0.73 0.00 0.00 179.01 179.88 2i7k h LYS 56 N 1.03 0.93 -0.97 1.92 1.57 -0.92 -2.98 116.57 117.14 2i7k h LYS 56 Ca 0.24 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2i7k h LYS 56 Cb 0.18 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 2i7k h LYS 56 CO -0.02 0.96 0.64 0.82 -0.57 0.00 0.00 179.45 181.28 2i7k h ILE 57 N 0.80 1.20 -0.01 1.86 2.04 -0.78 -0.88 117.51 121.74 2i7k h ILE 57 Ca 0.14 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2i7k h ILE 57 Cb 0.55 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2i7k h ILE 57 CO 0.03 0.23 0.02 0.50 0.00 0.00 0.00 178.15 178.94 2i7k h LYS 58 N 1.26 0.00 -0.57 2.37 3.64 -1.30 -0.16 116.57 121.81 2i7k h LYS 58 Ca 0.37 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2i7k h LYS 58 Cb -0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2i7k h LYS 58 CO -0.10 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.17 2i7k n ASN 59 N -3.48 5.73 -1.49 4.20 3.02 -0.46 -4.90 115.26 117.88 2i7k n ASN 59 Ca -0.03 -2.94 -0.18 0.00 -0.03 0.00 0.00 54.58 51.40 2i7k n ASN 59 Cb 0.10 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 2i7k n ASN 59 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2i7k n ASN 60 N 0.59 -5.16 0.07 6.41 4.05 -0.07 -4.87 115.26 116.28 2i7k n ASN 60 Ca 0.28 0.35 -0.13 0.00 0.45 0.00 0.00 54.58 55.53 2i7k n ASN 60 Cb 1.20 -4.23 -0.04 0.00 1.23 0.00 0.00 39.78 37.94 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2i7k h ASP 61 N 0.00 0.52 -3.74 1.20 1.82 -1.36 -3.41 116.42 111.44 2i7k h ASP 61 Ca -0.38 -0.42 -0.66 0.00 -0.39 0.00 0.00 57.03 55.19 2i7k h ASP 61 Cb 1.19 -0.16 -0.39 0.00 0.68 0.00 0.00 39.33 40.66 2i7k h ASP 61 CO 0.53 1.22 -0.76 -0.31 -1.61 0.00 0.00 179.24 178.31 2i7k s TYR 62 N -3.26 3.42 0.00 0.28 2.02 -1.25 -4.88 117.35 113.68 2i7k s TYR 62 Ca -0.06 -2.62 0.00 0.00 -0.37 0.00 0.00 57.07 54.02 2i7k s TYR 62 Cb 0.09 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.24 2i7k s TYR 62 CO 0.86 -0.91 0.87 0.00 -1.57 0.00 0.00 175.55 174.81 2i7k n GLN 63 N 4.37 0.00 -4.87 -0.62 10.64 -1.26 -4.69 117.38 120.95 2i7k n GLN 63 Ca -0.04 -0.85 -0.26 0.00 -1.83 0.00 0.00 57.00 54.02 2i7k n GLN 63 Cb 0.42 -0.47 -0.16 0.00 -0.86 0.00 0.00 30.24 29.18 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2i7k s SER 64 N -0.76 2.19 0.25 2.61 0.01 -1.26 -4.85 113.70 111.89 2i7k s SER 64 Ca 0.00 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 56.88 2i7k s SER 64 Cb 0.00 -0.48 0.47 0.00 0.21 0.00 0.00 66.02 66.21 2i7k s SER 64 CO 0.00 0.18 1.78 0.16 0.41 0.00 0.00 173.24 175.77 2i7k h ILE 65 N 5.05 0.81 -0.32 1.44 -0.00 -1.97 0.20 117.51 122.72 2i7k h ILE 65 Ca -0.34 -0.24 -0.16 0.00 -0.00 0.00 0.00 64.86 64.13 2i7k h ILE 65 Cb 1.16 0.06 -0.01 0.00 -0.00 0.00 0.00 36.82 38.03 2i7k h ILE 65 CO 0.48 0.13 -0.42 -0.08 -0.00 0.00 0.00 178.15 178.25 2i7k h GLU 66 N 0.69 0.81 -0.13 0.16 4.57 -1.98 -1.27 114.58 117.43 2i7k h GLU 66 Ca 0.43 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2i7k h GLU 66 Cb 0.52 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2i7k h GLU 66 CO -0.31 1.07 -0.01 1.49 -1.18 0.00 0.00 179.01 180.07 2i7k h GLU 67 N 0.66 0.24 -0.40 1.92 4.57 -1.64 0.60 114.58 120.53 2i7k h GLU 67 Ca 0.05 -0.08 -0.14 0.00 -1.18 0.00 0.00 59.36 58.01 2i7k h GLU 67 Cb 0.99 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 2i7k h GLU 67 CO 0.09 0.49 -0.31 1.37 -1.18 0.00 0.00 179.01 179.48 2i7k h LEU 68 N -0.05 0.91 -0.53 1.64 8.10 -0.70 -2.60 115.31 122.09 2i7k h LEU 68 Ca 0.04 -0.38 -0.14 0.00 0.11 0.00 0.00 57.88 57.50 2i7k h LEU 68 Cb 0.39 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.35 2i7k h LEU 68 CO 0.01 1.14 -0.37 0.50 -4.11 0.00 0.00 178.44 175.61 2i7k h LYS 69 N 0.74 0.78 -0.37 0.17 3.64 -1.22 -1.41 116.57 118.89 2i7k h LYS 69 Ca 0.08 -0.39 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2i7k h LYS 69 Cb 0.87 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2i7k h LYS 69 CO 0.08 1.02 0.23 0.22 -2.27 0.00 0.00 179.45 178.73 2i7k h ASP 70 N 0.65 0.44 -0.03 4.20 1.82 -0.78 0.34 116.42 123.06 2i7k h ASP 70 Ca 0.06 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2i7k h ASP 70 Cb 0.92 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.82 2i7k h ASP 70 CO 0.08 0.36 -0.03 -1.13 -1.61 0.00 0.00 179.24 176.91 2i7k h ASN 71 N 0.49 0.08 -0.33 2.28 -0.00 -1.43 -0.21 115.58 116.46 2i7k h ASN 71 Ca 0.13 -0.47 -0.00 0.00 -0.00 0.00 0.00 56.30 55.96 2i7k h ASN 71 Cb -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.27 2i7k h ASN 71 CO -0.03 0.53 0.20 0.15 -0.00 0.00 0.00 177.43 178.29 2i7k h PHE 72 N -0.37 0.44 -0.46 0.67 3.57 -1.21 -2.34 116.94 117.25 2i7k h PHE 72 Ca 0.01 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2i7k h PHE 72 Cb 0.51 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2i7k h PHE 72 CO 0.09 0.32 0.10 -0.22 -2.23 0.00 0.00 178.31 176.36 2i7k h LYS 73 N 0.43 0.70 -0.42 1.11 3.11 -0.35 -2.26 116.57 118.89 2i7k h LYS 73 Ca 0.12 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2i7k h LYS 73 Cb 0.01 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.11 2i7k h LYS 73 CO -0.02 0.64 0.28 -0.07 -2.81 0.00 0.00 179.45 177.47 2i7k h LEU 74 N 0.67 0.49 -0.51 5.20 3.38 -0.51 0.64 115.31 124.67 2i7k h LEU 74 Ca 0.15 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2i7k h LEU 74 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2i7k h LEU 74 CO -0.00 0.36 -0.00 -0.03 0.09 0.00 0.00 178.44 178.85 2i7k h MET 75 N 0.57 0.90 -0.57 1.13 4.05 -1.24 0.81 114.93 120.58 2i7k h MET 75 Ca 0.15 -0.29 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2i7k h MET 75 Cb -0.06 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 2i7k h MET 75 CO -0.03 0.93 0.34 0.00 0.23 0.00 0.00 176.91 178.38 2i7k h THR 77 N 0.76 1.41 -0.85 0.00 2.02 -0.75 -0.85 112.91 114.66 2i7k h THR 77 Ca 0.20 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 2i7k h THR 77 Cb -0.01 2.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2i7k h THR 77 CO -0.04 0.33 0.51 0.78 0.37 0.00 0.00 175.52 177.47 2i7k h ASN 78 N -0.47 1.02 -0.36 4.18 2.35 -0.76 0.73 115.58 122.27 2i7k h ASN 78 Ca 0.00 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.56 2i7k h ASN 78 Cb 0.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2i7k h ASN 78 CO 0.00 0.78 -0.29 0.00 -1.65 0.00 0.00 177.43 176.28 2i7k h ALA 79 N 1.28 0.52 -0.12 -0.83 0.00 -0.41 -2.54 119.26 117.16 2i7k h ALA 79 Ca 0.30 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2i7k h ALA 79 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2i7k h ALA 79 CO -0.06 0.55 0.02 0.52 0.00 0.00 0.00 179.25 180.28 2i7k h MET 80 N 0.63 0.21 -0.75 0.00 2.86 -0.82 -2.64 114.93 114.41 2i7k h MET 80 Ca 0.07 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2i7k h MET 80 Cb 0.87 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 2i7k h MET 80 CO 0.08 0.40 0.49 0.97 1.06 0.00 0.00 176.91 179.91 2i7k h ILE 81 N -0.02 1.08 -0.87 -1.22 6.09 -0.89 -1.28 117.51 120.40 2i7k h ILE 81 Ca 0.04 -0.29 -0.50 0.00 -1.37 0.00 0.00 64.86 62.73 2i7k h ILE 81 Cb 0.30 0.14 -0.26 0.00 0.47 0.00 0.00 36.82 37.47 2i7k h ILE 81 CO 0.00 0.16 0.64 0.00 -3.07 0.00 0.00 178.15 175.88 2i7k n TYR 82 N -4.47 2.72 -3.03 2.19 9.36 -0.96 -4.66 117.16 118.32 2i7k n TYR 82 Ca 0.10 -2.05 0.01 0.00 3.32 0.00 0.00 57.90 59.28 2i7k n TYR 82 Cb 0.17 -1.02 -0.00 0.00 -0.63 0.00 0.00 39.34 37.85 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 -1.11 -1.13 1.03 2.98 3.84 -0.48 -4.98 114.94 115.08 2i7k s ASN 83 Ca 0.52 -0.65 -0.12 0.00 0.21 0.00 0.00 52.86 52.82 2i7k s ASN 83 Cb 0.43 1.45 0.21 0.00 -0.55 0.00 0.00 41.25 42.78 2i7k s ASN 83 CO 0.06 -0.12 1.08 -0.54 -2.79 0.00 0.00 177.10 174.79 2i7k s LYS 84 N 1.79 0.17 -0.80 0.43 1.02 -1.26 -4.51 119.74 116.57 2i7k s LYS 84 Ca 0.17 0.67 -0.27 0.00 0.02 0.00 0.00 55.97 56.56 2i7k s LYS 84 Cb -0.01 -1.69 -0.25 0.00 -0.52 0.00 0.00 37.83 35.35 2i7k s LYS 84 CO -0.09 -2.94 1.95 -0.35 -0.92 0.00 0.00 175.35 172.99 2i7k n PRO 85 N -4.35 0.36 -0.06 -1.68 -0.04 -1.26 -4.53 135.00 123.44 2i7k n PRO 85 Ca 0.05 -1.64 -0.02 0.00 -0.04 0.00 0.00 63.50 61.85 2i7k n PRO 85 Cb 0.56 -3.49 -0.01 0.00 -0.04 0.00 0.00 33.50 30.52 2i7k n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2i7k h GLU 86 N 10.76 0.00 0.00 0.54 5.08 -1.99 -3.50 114.58 125.47 2i7k h GLU 86 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2i7k h GLU 86 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2i7k h GLU 86 CO 1.36 0.02 0.00 0.25 -1.00 0.00 0.00 179.01 179.64 2i7k n THR 87 N -4.72 0.00 -0.27 1.13 -2.24 -1.26 -5.01 114.28 101.91 2i7k n THR 87 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2i7k n THR 87 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.40 0.16 -0.07 2.28 -0.00 -1.26 -4.74 119.36 115.33 2i7k n ILE 88 Ca 0.00 -0.45 -0.11 0.00 -0.00 0.00 0.00 62.75 62.19 2i7k n ILE 88 Cb 0.00 1.13 -0.05 0.00 -0.00 0.00 0.00 39.64 40.72 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 0.39 -0.47 1.39 -1.99 -1.95 0.36 116.97 114.71 2i7k h TYR 89 Ca 0.00 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.63 2i7k h TYR 89 Cb 0.24 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 2i7k h TYR 89 CO 0.00 0.54 0.14 -0.92 -0.00 0.00 0.00 178.16 177.92 2i7k h TYR 90 N 0.13 0.76 -0.42 4.88 3.20 -1.80 -2.49 116.97 121.23 2i7k h TYR 90 Ca 0.06 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 2i7k h TYR 90 Cb 0.38 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2i7k h TYR 90 CO 0.03 0.68 -0.24 0.87 -1.64 0.00 0.00 178.16 177.85 2i7k h LYS 91 N 0.62 0.87 -0.68 1.82 1.57 -1.83 -2.44 116.57 116.50 2i7k h LYS 91 Ca 0.15 -0.37 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2i7k h LYS 91 Cb 0.28 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 2i7k h LYS 91 CO -0.00 1.01 0.41 0.00 -0.57 0.00 0.00 179.45 180.30 2i7k h ALA 92 N 0.97 0.90 -0.37 3.86 0.00 -0.10 0.26 119.26 124.78 2i7k h ALA 92 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2i7k h ALA 92 Cb 0.79 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2i7k h ALA 92 CO 0.07 0.13 -0.16 0.00 0.00 0.00 0.00 179.25 179.29 2i7k h ALA 93 N 1.32 0.52 -0.26 0.00 0.00 -1.37 -1.93 119.26 117.53 2i7k h ALA 93 Ca 0.29 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2i7k h ALA 93 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2i7k h ALA 93 CO -0.14 0.44 0.00 0.87 0.00 0.00 0.00 179.25 180.42 2i7k h LYS 94 N 0.56 0.45 -0.30 0.00 1.57 -1.02 -1.39 116.57 116.44 2i7k h LYS 94 Ca 0.09 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2i7k h LYS 94 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2i7k h LYS 94 CO 0.05 0.62 0.17 -0.22 -0.57 0.00 0.00 179.45 179.50 2i7k h LYS 95 N 0.24 0.41 -0.32 3.15 1.63 -0.51 -2.30 116.57 118.87 2i7k h LYS 95 Ca 0.07 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2i7k h LYS 95 Cb 0.41 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2i7k h LYS 95 CO 0.01 0.32 0.05 1.25 -3.45 0.00 0.00 179.45 177.63 2i7k h LEU 96 N 0.37 0.43 -0.42 5.20 5.85 -1.33 -2.42 115.31 122.99 2i7k h LEU 96 Ca 0.11 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2i7k h LEU 96 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2i7k h LEU 96 CO -0.02 0.46 0.25 0.25 -0.34 0.00 0.00 178.44 179.04 2i7k h LEU 97 N 0.46 0.50 -1.04 2.25 6.46 -0.71 0.42 115.31 123.65 2i7k h LEU 97 Ca 0.11 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 2i7k h LEU 97 Cb 0.22 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2i7k h LEU 97 CO 0.00 0.41 -0.06 0.45 -0.62 0.00 0.00 178.44 178.62 2i7k h HIS 98 N 0.55 0.65 -0.34 1.25 3.86 -1.10 -1.25 115.15 118.78 2i7k h HIS 98 Ca 0.15 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 2i7k h HIS 98 Cb 0.01 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2i7k h HIS 98 CO -0.03 0.67 -0.25 0.77 0.86 0.00 0.00 177.93 179.95 2i7k h SER 99 N 0.57 0.81 -0.13 2.45 0.02 -1.00 -2.60 113.55 113.67 2i7k h SER 99 Ca 0.11 -0.44 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2i7k h SER 99 Cb 0.46 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2i7k h SER 99 CO 0.02 1.07 -0.03 1.23 -1.14 0.00 0.00 176.83 177.99 2i7k h GLY 100 N 0.54 0.27 1.03 -3.77 0.00 -0.70 -2.53 103.07 97.91 2i7k h GLY 100 Ca 0.07 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.20 2i7k h GLY 100 CO 0.07 0.20 0.61 0.00 0.00 0.00 0.00 176.54 177.42 2i7k h MET 101 N -0.06 1.16 -0.44 4.80 -0.00 -1.29 -0.37 114.93 118.74 2i7k h MET 101 Ca 0.03 -0.07 -0.12 0.00 -0.00 0.00 0.00 59.70 59.54 2i7k h MET 101 Cb 0.44 -0.26 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 2i7k h MET 101 CO 0.01 0.77 -0.22 1.57 -0.00 0.00 0.00 176.91 179.04 2i7k h LYS 102 N 1.20 0.89 -0.20 -0.10 2.10 -1.44 -2.96 116.57 116.05 2i7k h LYS 102 Ca 0.35 -0.37 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 2i7k h LYS 102 Cb -0.06 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 2i7k h LYS 102 CO -0.09 1.01 -0.43 0.82 -2.00 0.00 0.00 179.45 178.76 2i7k h ILE 103 N 0.77 1.31 -0.57 0.07 2.04 -0.98 -2.97 117.51 117.18 2i7k h ILE 103 Ca 0.10 -1.61 0.12 0.00 1.00 0.00 0.00 64.86 64.48 2i7k h ILE 103 Cb 0.76 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 2i7k h ILE 103 CO 0.06 0.50 0.39 -0.07 0.00 0.00 0.00 178.15 179.03 2i7k h LEU 104 N 0.39 0.22 -0.82 1.44 3.38 -0.91 0.22 115.31 119.22 2i7k h LEU 104 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2i7k h LEU 104 Cb 0.92 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2i7k h LEU 104 CO 0.08 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.19 2i7k n SER 105 N -4.44 1.21 -0.01 -0.43 3.41 -1.12 -3.64 113.62 108.60 2i7k n SER 105 Ca 0.10 -1.84 0.06 0.00 -0.26 0.00 0.00 58.87 56.93 2i7k n SER 105 Cb 0.47 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.18 2i7k n SER 105 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2i7k n GLN 106 N 0.10 0.51 -0.04 4.33 6.02 0.78 -4.49 117.38 124.58 2i7k n GLN 106 Ca 0.11 -0.12 0.10 0.00 -0.01 0.00 0.00 57.00 57.08 2i7k n GLN 106 Cb 0.22 -1.34 0.50 0.00 1.02 0.00 0.00 30.24 30.64 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 0.39 -1.03 -1.09 5.08 -1.60 -0.54 114.58 115.79 2i7k h GLU 107 Ca -0.02 -0.02 -0.46 0.00 -1.00 0.00 0.00 59.36 57.86 2i7k h GLU 107 Cb 0.72 -0.09 -0.26 0.00 0.50 0.00 0.00 28.75 29.62 2i7k h GLU 107 CO 0.00 0.26 0.58 -2.13 -1.00 0.00 0.00 179.01 176.72 2i7k n ARG 108 N -4.47 2.11 -2.81 2.33 0.63 -1.26 -4.85 116.66 108.33 2i7k n ARG 108 Ca 0.08 -2.55 -0.43 0.00 -0.92 0.00 0.00 57.85 54.02 2i7k n ARG 108 Cb 0.29 -2.00 -0.02 0.00 0.45 0.00 0.00 32.46 31.18 2i7k n ARG 108 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2i7k s LEU 109 N -2.83 4.57 0.00 6.15 0.20 -0.21 -4.95 118.68 121.62 2i7k s LEU 109 Ca 0.49 -2.09 0.02 0.00 0.69 0.00 0.00 54.13 53.23 2i7k s LEU 109 Cb 0.40 -2.46 -0.01 0.00 -0.43 0.00 0.00 46.19 43.70 2i7k s LEU 109 CO 0.07 -1.13 0.06 1.21 -0.29 0.00 0.00 176.35 176.28 2i7k n GLU 110 N 7.12 0.79 0.00 1.98 4.07 -1.26 -5.07 120.64 128.28 2i7k n GLU 110 Ca 0.30 -1.48 0.00 0.00 -0.06 0.00 0.00 57.16 55.93 2i7k n GLU 110 Cb 0.48 0.80 0.00 0.00 -0.06 0.00 0.00 31.44 32.66 2i7k n GLU 110 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2i7k n HIS 111 N -0.39 -0.60 -3.89 4.31 8.25 -1.26 -5.15 115.22 116.49 2i7k n HIS 111 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 2i7k n HIS 111 Cb 0.26 0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 2i7k n HIS 111 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2i7k s HIS 112 N -1.53 3.29 -0.37 4.41 5.65 -1.26 -5.01 115.29 120.47 2i7k s HIS 112 Ca 0.00 -0.09 0.05 0.00 0.25 0.00 0.00 55.06 55.27 2i7k s HIS 112 Cb 0.00 -1.64 0.44 0.00 -1.18 0.00 0.00 32.58 30.20 2i7k s HIS 112 CO 0.00 0.35 1.46 1.58 -0.65 0.00 0.00 174.74 177.48 2i7k n HIS 113 N -1.41 1.66 -3.19 3.88 -0.00 -1.26 -4.51 115.22 110.40 2i7k n HIS 113 Ca -0.07 -1.01 -0.22 0.00 0.46 0.00 0.00 57.72 56.89 2i7k n HIS 113 Cb 0.58 -0.56 -0.06 0.00 -0.12 0.00 0.00 29.99 29.82 2i7k n HIS 113 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2i7k n HIS 114 N -0.19 -1.12 -3.79 1.57 8.25 -1.26 -5.11 115.22 113.57 2i7k n HIS 114 Ca 0.30 -3.13 -0.13 0.00 -0.26 0.00 0.00 57.72 54.50 2i7k n HIS 114 Cb 1.08 0.19 -0.14 0.00 1.12 0.00 0.00 29.99 32.25 2i7k n HIS 114 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2i7k s HIS 115 N -0.41 -0.14 0.00 4.41 5.04 -1.26 -5.16 115.29 117.77 2i7k s HIS 115 Ca 0.34 0.39 0.00 0.00 -1.54 0.00 0.00 55.06 54.25 2i7k s HIS 115 Cb 0.12 -0.01 0.00 0.00 0.04 0.00 0.00 32.58 32.73 2i7k s HIS 115 CO -0.15 -0.11 0.00 0.72 -2.34 0.00 0.00 174.74 172.86