#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i7k s GLU 1 N 0.00 1.73 -0.32 0.03 2.02 -1.26 -5.02 118.70 115.88 2i7k s GLU 1 Ca 0.00 -1.97 -0.29 0.00 0.02 0.00 0.00 54.97 52.73 2i7k s GLU 1 Cb 0.00 -1.02 0.00 0.00 0.10 0.00 0.00 34.13 33.21 2i7k s GLU 1 CO 0.00 -0.17 1.36 -2.00 0.02 0.00 0.00 175.26 174.47 2i7k s GLU 2 N -3.85 3.82 -2.17 1.61 2.12 -1.26 -3.16 118.70 115.81 2i7k s GLU 2 Ca 0.36 1.22 0.00 0.00 0.36 0.00 0.00 54.97 56.91 2i7k s GLU 2 Cb 0.09 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.55 2i7k s GLU 2 CO 0.16 -1.25 0.00 0.28 -0.54 0.00 0.00 175.26 173.91 2i7k n VAL 3 N 6.44 -0.09 -0.02 3.70 0.31 -1.26 -4.80 118.33 122.61 2i7k n VAL 3 Ca 0.16 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.50 2i7k n VAL 3 Cb 0.47 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.25 2i7k n VAL 3 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i7k n GLU 4 N -2.45 1.20 -0.14 5.55 -0.58 -1.19 -4.54 120.64 118.48 2i7k n GLU 4 Ca -0.21 -0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.41 2i7k n GLU 4 Cb 0.68 -1.24 0.11 0.00 -0.57 0.00 0.00 31.44 30.41 2i7k n GLU 4 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 2i7k h GLN 5 N 0.00 0.89 0.77 3.49 3.07 -1.87 -2.55 115.11 118.91 2i7k h GLN 5 Ca -0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 58.65 58.33 2i7k h GLN 5 Cb 0.93 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.41 2i7k h GLN 5 CO 0.01 0.90 -0.37 1.15 0.09 0.00 0.00 178.83 180.60 2i7k h THR 6 N 0.82 0.16 -0.94 1.86 2.02 -1.91 -2.84 112.91 112.08 2i7k h THR 6 Ca 0.15 -0.13 0.11 0.00 0.77 0.00 0.00 66.41 67.32 2i7k h THR 6 Cb 0.51 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.04 2i7k h THR 6 CO 0.03 0.01 0.60 1.55 0.37 0.00 0.00 175.52 178.08 2i7k h PRO 7 N -1.15 0.89 -0.89 6.66 0.13 -1.79 -1.25 132.00 134.60 2i7k h PRO 7 Ca -0.11 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.04 2i7k h PRO 7 Cb 0.81 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 31.68 2i7k h PRO 7 CO 0.17 0.59 0.58 -0.07 -0.23 0.00 0.00 178.00 179.04 2i7k h LEU 8 N 0.91 0.87 -0.79 1.56 3.38 -1.39 -1.65 115.31 118.20 2i7k h LEU 8 Ca 0.45 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.46 2i7k h LEU 8 Cb 0.48 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2i7k h LEU 8 CO -0.22 0.54 0.51 -0.61 0.09 0.00 0.00 178.44 178.76 2i7k h GLN 9 N 0.98 0.99 -0.26 1.13 4.15 -0.98 0.33 115.11 121.45 2i7k h GLN 9 Ca 0.39 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.74 2i7k h GLN 9 Cb 0.26 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2i7k h GLN 9 CO -0.15 0.65 0.11 1.49 -1.93 0.00 0.00 178.83 179.00 2i7k h GLU 10 N 1.02 0.39 -0.28 1.69 4.57 -1.30 0.12 114.58 120.79 2i7k h GLU 10 Ca 0.31 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.40 2i7k h GLU 10 Cb -0.04 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2i7k h GLU 10 CO -0.09 0.41 0.10 0.00 -1.18 0.00 0.00 179.01 178.24 2i7k h ALA 11 N 0.96 0.36 -0.57 2.92 0.00 -1.14 -2.11 119.26 119.69 2i7k h ALA 11 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2i7k h ALA 11 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2i7k h ALA 11 CO -0.01 -0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.38 2i7k h LEU 12 N 0.29 0.79 -1.22 0.00 3.38 -0.85 -2.39 115.31 115.31 2i7k h LEU 12 Ca 0.09 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2i7k h LEU 12 Cb 0.21 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2i7k h LEU 12 CO -0.01 0.74 0.54 0.78 0.09 0.00 0.00 178.44 180.58 2i7k h ASN 13 N 0.79 0.89 -0.33 -0.43 2.35 -0.64 -1.68 115.58 116.53 2i7k h ASN 13 Ca 0.19 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2i7k h ASN 13 Cb 0.20 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2i7k h ASN 13 CO -0.02 0.63 0.06 -0.61 -1.65 0.00 0.00 177.43 175.84 2i7k h GLN 14 N 1.04 0.54 -0.92 0.81 5.75 -1.02 -1.91 115.11 119.40 2i7k h GLN 14 Ca 0.31 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 2i7k h GLN 14 Cb -0.03 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 2i7k h GLN 14 CO -0.08 0.63 0.57 -0.07 -2.65 0.00 0.00 178.83 177.23 2i7k h LEU 15 N 0.37 1.09 -0.77 -2.39 3.38 -0.94 -2.26 115.31 113.79 2i7k h LEU 15 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2i7k h LEU 15 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2i7k h LEU 15 CO 0.01 0.82 0.04 -0.03 0.09 0.00 0.00 178.44 179.37 2i7k h MET 16 N 1.26 0.97 -0.36 1.13 4.05 -1.17 0.25 114.93 121.06 2i7k h MET 16 Ca 0.33 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2i7k h MET 16 Cb -0.08 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 2i7k h MET 16 CO -0.07 0.94 0.21 0.00 0.23 0.00 0.00 176.91 178.22 2i7k h ARG 17 N 0.91 0.50 -0.36 0.39 3.08 -0.83 0.20 114.38 118.27 2i7k h ARG 17 Ca 0.17 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2i7k h ARG 17 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2i7k h ARG 17 CO 0.02 0.39 -0.35 1.96 -1.07 0.00 0.00 179.97 180.92 2i7k h GLN 18 N 0.47 0.83 -0.34 0.04 4.20 -1.28 -1.55 115.11 117.48 2i7k h GLN 18 Ca 0.13 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 2i7k h GLN 18 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2i7k h GLN 18 CO -0.02 1.05 0.12 1.25 -0.67 0.00 0.00 178.83 180.56 2i7k h LEU 19 N 0.69 0.48 -0.61 1.46 6.46 -0.65 -2.07 115.31 121.06 2i7k h LEU 19 Ca 0.06 -0.18 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 2i7k h LEU 19 Cb 0.91 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 2i7k h LEU 19 CO 0.08 0.53 -0.05 1.56 -0.62 0.00 0.00 178.44 179.95 2i7k h GLN 20 N 0.40 1.05 0.00 1.25 4.20 -0.58 -2.65 115.11 118.78 2i7k h GLN 20 Ca 0.11 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2i7k h GLN 20 Cb 0.21 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2i7k h GLN 20 CO -0.01 1.05 0.00 0.00 -0.67 0.00 0.00 178.83 179.20 2i7k h ARG 21 N 0.94 0.00 0.00 1.46 3.08 -1.12 -3.35 114.38 115.39 2i7k h ARG 21 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2i7k h ARG 21 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2i7k h ARG 21 CO 0.04 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 180.11 2i7k n LYS 22 N -2.53 0.00 0.00 0.04 3.00 -0.79 -4.96 118.16 112.92 2i7k n LYS 22 Ca 0.01 0.61 0.00 0.00 -0.00 0.00 0.00 58.31 58.93 2i7k n LYS 22 Cb 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.01 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 -1.77 0.00 0.26 3.14 8.00 -1.26 -4.96 116.55 119.96 2i7k n ASP 23 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 2i7k n ASP 23 Cb 0.00 0.00 0.67 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.02 -0.24 0.11 -1.88 -2.04 132.00 127.93 2i7k h PRO 24 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 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 0.05 0.02 0.77 -0.21 0.00 0.00 178.00 178.62 2i7k h SER 25 N 0.00 0.00 -0.73 -2.05 0.02 -1.81 -2.30 113.55 106.69 2i7k h SER 25 Ca -0.00 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.16 2i7k h SER 25 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2i7k h SER 25 CO 0.01 0.00 0.52 0.00 -1.14 0.00 0.00 176.83 176.22 2i7k h ALA 26 N 1.99 2.68 0.02 3.77 0.00 -1.56 0.56 119.26 126.71 2i7k h ALA 26 Ca 0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 2i7k h ALA 26 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2i7k h ALA 26 CO -0.00 -0.88 -0.98 0.74 0.00 0.00 0.00 179.25 178.12 2i7k h PHE 27 N 0.01 0.10 -0.27 0.00 -1.00 -1.62 -3.33 116.94 110.83 2i7k h PHE 27 Ca 0.35 -0.07 -0.20 0.00 2.81 0.00 0.00 57.97 60.86 2i7k h PHE 27 Cb 1.38 -0.01 -0.15 0.00 3.61 0.00 0.00 35.95 40.78 2i7k h PHE 27 CO -0.00 1.00 -0.61 1.19 -1.61 0.00 0.00 178.31 178.28 2i7k n PHE 28 N -3.45 0.98 -0.39 -0.55 3.72 0.13 -4.71 117.46 113.19 2i7k n PHE 28 Ca -0.02 -1.76 0.06 0.00 -0.05 0.00 0.00 57.45 55.69 2i7k n PHE 28 Cb 0.91 -0.28 0.31 0.00 -0.94 0.00 0.00 39.48 39.48 2i7k n PHE 28 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2i7k n SER 29 N -0.97 4.48 -3.80 4.37 7.64 0.17 -2.61 113.62 122.91 2i7k n SER 29 Ca 0.28 -2.60 -0.12 0.00 1.01 0.00 0.00 58.87 57.44 2i7k n SER 29 Cb 0.79 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 2i7k n SER 29 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2i7k s PHE 30 N -2.18 -0.10 -0.07 1.43 0.40 -1.26 -4.22 117.98 111.98 2i7k s PHE 30 Ca 0.43 0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 56.56 2i7k s PHE 30 Cb 0.31 0.05 -0.08 0.00 0.51 0.00 0.00 43.02 43.80 2i7k s PHE 30 CO 0.15 -0.37 2.04 -2.30 0.70 0.00 0.00 175.22 175.45 2i7k n PRO 31 N 1.27 2.43 -1.66 0.24 -0.02 -1.26 -4.75 135.00 131.25 2i7k n PRO 31 Ca -0.22 0.83 -0.40 0.00 -2.02 0.00 0.00 63.50 61.70 2i7k n PRO 31 Cb 0.56 -2.99 0.03 0.00 -0.02 0.00 0.00 33.50 31.08 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 6.18 3.14 -2.44 -1.45 0.24 -1.26 -4.89 118.33 117.84 2i7k n VAL 32 Ca 0.24 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2i7k n VAL 32 Cb 0.39 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 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 -0.93 0.00 1.63 3.34 -1.04 -1.26 -4.88 114.28 111.14 2i7k n THR 33 Ca 0.10 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.25 2i7k n THR 33 Cb 0.43 0.00 0.79 0.00 -1.82 0.00 0.00 70.33 69.73 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 0.00 0.00 0.00 8.00 -0.08 -1.26 -1.77 116.55 121.44 2i7k n ASP 34 Ca 0.00 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.58 2i7k n ASP 34 Cb 0.00 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.40 2i7k n ASP 34 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2i7k n PHE 35 N -1.06 0.00 0.03 -0.67 -0.00 -1.26 -4.74 117.46 109.76 2i7k n PHE 35 Ca 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.57 2i7k n PHE 35 Cb 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 39.48 39.71 2i7k n PHE 35 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 2i7k h ILE 36 N 0.00 1.33 -4.00 -2.13 2.04 -1.91 -3.44 117.51 109.41 2i7k h ILE 36 Ca 0.00 -1.74 -0.69 0.00 1.00 0.00 0.00 64.86 63.43 2i7k h ILE 36 Cb 0.99 1.75 -0.23 0.00 -0.74 0.00 0.00 36.82 38.59 2i7k h ILE 36 CO 0.00 0.53 -0.84 0.00 0.00 0.00 0.00 178.15 177.84 2i7k s ALA 37 N -4.03 2.47 -1.88 1.87 0.00 -0.73 -4.79 121.76 114.67 2i7k s ALA 37 Ca -0.06 -1.31 0.25 0.00 0.00 0.00 0.00 51.96 50.83 2i7k s ALA 37 Cb 0.12 -0.56 1.45 0.00 0.00 0.00 0.00 23.12 24.13 2i7k s ALA 37 CO 0.82 0.56 1.86 -0.35 0.00 0.00 0.00 175.76 178.64 2i7k n PRO 38 N 1.30 0.70 0.00 0.00 -0.04 -1.26 -4.43 135.00 131.27 2i7k n PRO 38 Ca -0.17 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2i7k n PRO 38 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2i7k n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i7k n GLY 39 N 0.63 0.00 0.18 0.55 0.00 -1.26 -5.05 105.19 100.24 2i7k n GLY 39 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 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 0.36 0.00 1.61 -1.99 -1.85 -0.74 116.97 114.36 2i7k h TYR 40 Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2i7k h TYR 40 Cb 0.00 -0.10 -0.00 0.00 2.00 0.00 0.00 36.73 38.63 2i7k h TYR 40 CO 0.00 0.17 -0.03 0.66 -0.00 0.00 0.00 178.16 178.96 2i7k h SER 41 N 0.40 0.00 0.59 3.88 4.64 -1.89 1.24 113.55 122.42 2i7k h SER 41 Ca 0.19 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.23 2i7k h SER 41 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 2i7k h SER 41 CO -0.15 0.03 -1.41 -0.03 -0.87 0.00 0.00 176.83 174.39 2i7k h MET 42 N 0.00 0.17 0.00 4.77 -1.53 -1.61 -3.43 114.93 113.30 2i7k h MET 42 Ca -0.00 -0.29 -0.13 0.00 -3.44 0.00 0.00 59.70 55.85 2i7k h MET 42 Cb 0.06 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.19 2i7k h MET 42 CO 0.00 1.02 -1.45 1.51 0.14 0.00 0.00 176.91 178.14 2i7k n ILE 43 N -3.39 0.44 -3.30 1.77 0.13 -0.41 -4.90 119.36 109.70 2i7k n ILE 43 Ca -0.12 -0.14 -0.47 0.00 -1.10 0.00 0.00 62.75 60.93 2i7k n ILE 43 Cb 1.02 -1.26 -0.03 0.00 -0.84 0.00 0.00 39.64 38.53 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 -2.15 5.47 0.05 9.51 -1.09 0.42 -4.96 121.20 128.45 2i7k s ILE 44 Ca -0.11 -2.21 -0.13 0.00 -2.23 0.00 0.00 60.65 55.97 2i7k s ILE 44 Cb 0.04 -4.47 -0.05 0.00 -1.58 0.00 0.00 42.46 36.40 2i7k s ILE 44 CO 0.16 -1.03 1.22 0.11 -1.23 0.00 0.00 174.94 174.16 2i7k h LYS 45 N 8.07 -0.19 -3.52 2.79 1.57 -1.82 -3.35 116.57 120.12 2i7k h LYS 45 Ca 0.03 0.01 -0.68 0.00 -1.87 0.00 0.00 60.65 58.14 2i7k h LYS 45 Cb 1.05 0.04 -0.37 0.00 0.08 0.00 0.00 32.23 33.04 2i7k h LYS 45 CO 0.83 -0.13 -0.44 -1.58 -0.57 0.00 0.00 179.45 177.57 2i7k s HIS 46 N -4.07 3.34 -0.03 -1.35 2.46 -1.26 -4.83 115.29 109.55 2i7k s HIS 46 Ca -0.06 -2.86 -0.21 0.00 0.47 0.00 0.00 55.06 52.40 2i7k s HIS 46 Cb 0.03 -3.09 -0.30 0.00 -0.13 0.00 0.00 32.58 29.10 2i7k s HIS 46 CO 0.24 -0.81 0.96 -1.00 -2.47 0.00 0.00 174.74 171.67 2i7k h PRO 47 N 6.85 0.36 -5.58 2.88 0.13 -1.93 -3.44 132.00 131.27 2i7k h PRO 47 Ca -0.03 -0.53 -0.09 0.00 -0.87 0.00 0.00 66.00 64.48 2i7k h PRO 47 Cb 0.93 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2i7k h PRO 47 CO 0.71 1.23 -0.68 -1.33 -0.23 0.00 0.00 178.00 177.69 2i7k n MET 48 N -4.11 -2.30 -1.25 0.86 2.81 -1.26 -3.16 117.12 108.71 2i7k n MET 48 Ca -0.13 1.97 -0.29 0.00 -1.81 0.00 0.00 57.70 57.44 2i7k n MET 48 Cb 0.81 -4.81 0.20 0.00 -0.71 0.00 0.00 33.22 28.70 2i7k n MET 48 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2i7k s ASP 49 N -2.32 2.13 0.38 7.83 1.11 -1.26 -4.64 116.67 119.89 2i7k s ASP 49 Ca 0.27 0.86 0.06 0.00 0.18 0.00 0.00 52.55 53.93 2i7k s ASP 49 Cb -0.06 -1.31 0.75 0.00 1.07 0.00 0.00 42.92 43.37 2i7k s ASP 49 CO 0.79 -3.40 1.96 -0.26 1.18 0.00 0.00 175.17 175.44 2i7k h PHE 50 N -2.08 0.48 -0.31 4.23 0.04 -1.82 0.21 116.94 117.69 2i7k h PHE 50 Ca -0.50 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.12 2i7k h PHE 50 Cb 1.31 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 2i7k h PHE 50 CO -0.72 0.41 -0.33 1.03 -0.60 0.00 0.00 178.31 178.10 2i7k h SER 51 N 0.48 0.84 -0.24 2.17 0.87 -1.73 0.85 113.55 116.78 2i7k h SER 51 Ca 0.12 -0.48 -0.18 0.00 -1.23 0.00 0.00 61.79 60.02 2i7k h SER 51 Cb 0.16 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2i7k h SER 51 CO -0.01 1.14 -0.52 0.74 -0.53 0.00 0.00 176.83 177.66 2i7k h THR 52 N 0.54 1.28 -0.37 2.23 2.02 -1.80 -2.55 112.91 114.26 2i7k h THR 52 Ca 0.05 -1.71 -0.07 0.00 0.77 0.00 0.00 66.41 65.45 2i7k h THR 52 Cb 0.92 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2i7k h THR 52 CO 0.08 0.56 -0.05 0.24 0.37 0.00 0.00 175.52 176.72 2i7k h MET 53 N 0.64 0.68 -0.66 6.66 2.07 -0.56 -2.37 114.93 121.39 2i7k h MET 53 Ca 0.02 -0.24 0.02 0.00 -2.07 0.00 0.00 59.70 57.43 2i7k h MET 53 Cb 1.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 30.75 2i7k h MET 53 CO 0.11 0.81 0.42 0.87 1.07 0.00 0.00 176.91 180.20 2i7k h LYS 54 N 0.49 0.81 -0.54 1.72 1.79 -0.80 -0.23 116.57 119.82 2i7k h LYS 54 Ca 0.10 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2i7k h LYS 54 Cb 0.54 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2i7k h LYS 54 CO 0.03 0.54 0.19 1.49 -1.08 0.00 0.00 179.45 180.62 2i7k h GLU 55 N 0.84 0.78 -0.46 3.15 4.81 -1.38 -2.42 114.58 119.91 2i7k h GLU 55 Ca 0.26 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 2i7k h GLU 55 Cb -0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2i7k h GLU 55 CO -0.09 0.66 -0.08 0.87 -0.73 0.00 0.00 179.01 179.65 2i7k h LYS 56 N 0.77 0.87 -0.98 1.92 1.57 -0.77 -3.00 116.57 116.95 2i7k h LYS 56 Ca 0.18 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2i7k h LYS 56 Cb 0.19 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 2i7k h LYS 56 CO -0.01 0.95 0.64 0.82 -0.57 0.00 0.00 179.45 181.28 2i7k h ILE 57 N 0.71 1.19 -0.03 1.86 2.04 -0.61 0.90 117.51 123.56 2i7k h ILE 57 Ca 0.12 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.56 2i7k h ILE 57 Cb 0.61 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2i7k h ILE 57 CO 0.04 0.23 0.03 0.11 0.00 0.00 0.00 178.15 178.56 2i7k h LYS 58 N 1.26 0.00 -0.63 2.37 1.57 -1.31 -0.84 116.57 118.99 2i7k h LYS 58 Ca 0.39 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.09 2i7k h LYS 58 Cb -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2i7k h LYS 58 CO -0.11 0.00 0.09 0.09 -0.57 0.00 0.00 179.45 178.94 2i7k n ASN 59 N -3.99 5.43 -1.34 0.86 3.02 -0.35 -4.90 115.26 113.99 2i7k n ASN 59 Ca -0.02 -3.04 -0.17 0.00 -0.03 0.00 0.00 54.58 51.32 2i7k n ASN 59 Cb 0.12 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.51 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 0.34 -5.08 0.11 6.41 4.05 -0.32 -4.86 115.26 115.91 2i7k n ASN 60 Ca 0.32 0.42 -0.02 0.00 0.45 0.00 0.00 54.58 55.75 2i7k n ASN 60 Cb 1.26 -4.11 -0.00 0.00 1.23 0.00 0.00 39.78 38.16 2i7k n ASN 60 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2i7k h ASP 61 N 0.00 0.00 -3.73 1.20 3.32 -1.05 -3.41 116.42 112.76 2i7k h ASP 61 Ca -0.36 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.04 2i7k h ASP 61 Cb 1.13 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.28 2i7k h ASP 61 CO 0.52 0.72 -0.71 -0.31 -1.72 0.00 0.00 179.24 177.74 2i7k s TYR 62 N -2.95 3.53 0.00 4.55 2.02 -1.24 -4.85 117.35 118.42 2i7k s TYR 62 Ca 0.02 -2.93 0.00 0.00 -0.37 0.00 0.00 57.07 53.79 2i7k s TYR 62 Cb 0.09 -2.82 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 2i7k s TYR 62 CO 0.78 -0.92 0.79 0.00 -1.57 0.00 0.00 175.55 174.62 2i7k n GLN 63 N 4.15 0.00 -4.64 -0.62 10.64 -1.26 -4.71 117.38 120.93 2i7k n GLN 63 Ca 0.04 -0.58 -0.25 0.00 -1.83 0.00 0.00 57.00 54.38 2i7k n GLN 63 Cb 0.41 -0.29 -0.16 0.00 -0.86 0.00 0.00 30.24 29.33 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 -0.58 1.84 0.31 2.61 0.01 -1.26 -4.80 113.70 111.83 2i7k s SER 64 Ca 0.00 -0.31 0.05 0.00 1.31 0.00 0.00 55.95 57.00 2i7k s SER 64 Cb 0.00 -0.73 0.68 0.00 0.21 0.00 0.00 66.02 66.18 2i7k s SER 64 CO 0.00 0.07 1.83 0.16 0.41 0.00 0.00 173.24 175.71 2i7k h ILE 65 N 5.71 0.83 -0.36 1.44 3.07 -1.98 0.17 117.51 126.39 2i7k h ILE 65 Ca -0.31 -0.29 -0.16 0.00 1.55 0.00 0.00 64.86 65.64 2i7k h ILE 65 Cb 1.18 -0.09 -0.01 0.00 -0.27 0.00 0.00 36.82 37.64 2i7k h ILE 65 CO 0.48 0.16 -0.41 1.05 -1.05 0.00 0.00 178.15 178.37 2i7k h GLU 66 N 0.85 0.90 -0.11 0.16 9.09 -1.98 -1.12 114.58 122.37 2i7k h GLU 66 Ca 0.51 -0.49 -0.02 0.00 0.05 0.00 0.00 59.36 59.41 2i7k h GLU 66 Cb 0.68 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.80 2i7k h GLU 66 CO -0.28 1.14 -0.02 1.49 0.05 0.00 0.00 179.01 181.38 2i7k h GLU 67 N 0.73 0.22 -0.74 1.06 4.57 -1.57 0.60 114.58 119.44 2i7k h GLU 67 Ca 0.05 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2i7k h GLU 67 Cb 1.00 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 2i7k h GLU 67 CO 0.10 0.51 0.22 -0.07 -1.18 0.00 0.00 179.01 178.59 2i7k h LEU 68 N -0.10 1.09 -0.11 1.64 -0.00 -0.78 -1.98 115.31 115.08 2i7k h LEU 68 Ca 0.03 -0.22 -0.07 0.00 -0.00 0.00 0.00 57.88 57.63 2i7k h LEU 68 Cb 0.43 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2i7k h LEU 68 CO 0.01 1.02 -0.19 0.11 -0.00 0.00 0.00 178.44 179.39 2i7k h LYS 69 N 1.11 0.32 -0.36 1.13 1.57 -1.17 -0.87 116.57 118.30 2i7k h LYS 69 Ca 0.24 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2i7k h LYS 69 Cb 0.33 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2i7k h LYS 69 CO -0.00 0.79 0.20 0.22 -0.57 0.00 0.00 179.45 180.09 2i7k h ASP 70 N -0.12 0.45 -0.11 0.86 3.58 -0.85 0.62 116.42 120.85 2i7k h ASP 70 Ca 0.01 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.29 2i7k h ASP 70 Cb 0.77 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2i7k h ASP 70 CO 0.04 0.41 -0.26 0.78 -2.88 0.00 0.00 179.24 177.33 2i7k h ASN 71 N 0.46 0.42 -0.02 2.28 4.21 -1.44 -0.86 115.58 120.64 2i7k h ASN 71 Ca 0.13 -0.58 0.00 0.00 1.21 0.00 0.00 56.30 57.06 2i7k h ASN 71 Cb 0.05 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.13 2i7k h ASN 71 CO -0.02 0.92 0.01 0.15 -1.29 0.00 0.00 177.43 177.20 2i7k h PHE 72 N -0.06 0.03 -0.36 1.19 3.57 -1.12 -2.30 116.94 117.88 2i7k h PHE 72 Ca -0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2i7k h PHE 72 Cb 0.86 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2i7k h PHE 72 CO 0.11 0.03 -0.04 -0.22 -2.23 0.00 0.00 178.31 175.96 2i7k h LYS 73 N 0.02 0.59 -0.45 1.11 3.64 -0.94 -2.60 116.57 117.94 2i7k h LYS 73 Ca 0.01 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2i7k h LYS 73 Cb 0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2i7k h LYS 73 CO -0.00 0.64 0.29 -0.07 -2.27 0.00 0.00 179.45 178.04 2i7k h LEU 74 N 0.55 0.52 -0.50 5.20 3.38 -0.76 0.87 115.31 124.57 2i7k h LEU 74 Ca 0.11 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2i7k h LEU 74 Cb 0.42 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2i7k h LEU 74 CO 0.02 0.38 -0.01 -0.03 0.09 0.00 0.00 178.44 178.88 2i7k h MET 75 N 0.61 0.88 -0.42 1.13 4.05 -1.27 0.53 114.93 120.44 2i7k h MET 75 Ca 0.16 -0.29 0.01 0.00 -0.28 0.00 0.00 59.70 59.30 2i7k h MET 75 Cb -0.07 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 2i7k h MET 75 CO -0.04 0.92 0.28 0.00 0.23 0.00 0.00 176.91 178.30 2i7k h THR 77 N 0.56 1.32 -0.19 0.00 2.02 -0.69 -2.34 112.91 113.59 2i7k h THR 77 Ca 0.16 -1.84 -0.10 0.00 0.77 0.00 0.00 66.41 65.40 2i7k h THR 77 Cb -0.06 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 2i7k h THR 77 CO -0.04 0.58 -0.31 0.78 0.37 0.00 0.00 175.52 176.89 2i7k h ASN 78 N 0.46 0.38 -0.12 4.18 4.21 0.50 -0.92 115.58 124.27 2i7k h ASN 78 Ca -0.00 -0.14 -0.17 0.00 1.21 0.00 0.00 56.30 57.21 2i7k h ASN 78 Cb 1.15 -0.10 0.01 0.00 -1.12 0.00 0.00 38.32 38.26 2i7k h ASN 78 CO 0.11 0.68 -0.57 0.00 -1.29 0.00 0.00 177.43 176.36 2i7k h ALA 79 N 1.35 0.24 -0.28 -0.83 0.00 0.12 -2.42 119.26 117.43 2i7k h ALA 79 Ca 0.04 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2i7k h ALA 79 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2i7k h ALA 79 CO 0.05 0.47 -0.44 0.00 0.00 0.00 0.00 179.25 179.33 2i7k h MET 80 N 0.25 0.70 -0.39 0.00 -0.00 -1.35 -2.26 114.93 111.89 2i7k h MET 80 Ca -0.04 -0.38 -0.06 0.00 -0.00 0.00 0.00 59.70 59.22 2i7k h MET 80 Cb 1.21 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.81 2i7k h MET 80 CO 0.12 1.00 0.01 0.97 -0.00 0.00 0.00 176.91 179.01 2i7k h ILE 81 N 0.57 1.26 -0.87 -0.10 6.09 -1.22 -2.92 117.51 120.32 2i7k h ILE 81 Ca 0.04 -0.98 -0.52 0.00 -1.37 0.00 0.00 64.86 62.02 2i7k h ILE 81 Cb 0.98 1.13 -0.26 0.00 0.47 0.00 0.00 36.82 39.14 2i7k h ILE 81 CO 0.09 0.33 0.67 0.00 -3.07 0.00 0.00 178.15 176.17 2i7k n TYR 82 N -4.47 2.75 -2.94 2.19 9.36 -0.91 -4.66 117.16 118.49 2i7k n TYR 82 Ca -0.01 -2.22 0.02 0.00 3.32 0.00 0.00 57.90 59.00 2i7k n TYR 82 Cb 0.28 -1.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.89 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 -1.17 -0.75 1.04 2.98 3.84 -0.85 -4.96 114.94 115.07 2i7k s ASN 83 Ca 0.53 -0.34 -0.12 0.00 0.21 0.00 0.00 52.86 53.14 2i7k s ASN 83 Cb 0.43 0.99 0.21 0.00 -0.55 0.00 0.00 41.25 42.33 2i7k s ASN 83 CO 0.04 -0.09 1.07 -0.54 -2.79 0.00 0.00 177.10 174.80 2i7k s LYS 84 N 2.00 0.11 -0.76 0.43 1.02 -1.26 -4.53 119.74 116.75 2i7k s LYS 84 Ca 0.15 0.80 -0.27 0.00 0.02 0.00 0.00 55.97 56.67 2i7k s LYS 84 Cb 0.00 -1.68 -0.26 0.00 -0.52 0.00 0.00 37.83 35.38 2i7k s LYS 84 CO -0.13 -3.02 1.93 -0.35 -0.92 0.00 0.00 175.35 172.86 2i7k n PRO 85 N -4.42 0.30 -0.02 -1.68 -0.04 -1.26 -4.54 135.00 123.34 2i7k n PRO 85 Ca 0.05 -1.59 -0.00 0.00 -0.04 0.00 0.00 63.50 61.93 2i7k n PRO 85 Cb 0.55 -3.44 -0.00 0.00 -0.04 0.00 0.00 33.50 30.57 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 10.77 0.00 0.00 0.54 4.81 -1.98 -3.50 114.58 125.22 2i7k h GLU 86 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2i7k h GLU 86 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2i7k h GLU 86 CO 1.39 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.92 2i7k n THR 87 N -3.07 0.00 -0.11 0.32 -2.24 -1.26 -5.01 114.28 102.91 2i7k n THR 87 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2i7k n THR 87 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.48 0.00 -0.08 2.28 -0.00 -1.26 -4.71 119.36 115.11 2i7k n ILE 88 Ca 0.00 -0.41 -0.10 0.00 -0.00 0.00 0.00 62.75 62.24 2i7k n ILE 88 Cb 0.00 1.11 -0.03 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 0.37 -0.11 1.39 0.05 -1.95 0.36 116.97 117.08 2i7k h TYR 89 Ca 0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 2i7k h TYR 89 Cb 0.05 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 2i7k h TYR 89 CO 0.00 0.33 0.02 -0.92 -1.05 0.00 0.00 178.16 176.53 2i7k h TYR 90 N 0.30 0.19 -0.49 4.88 5.03 -1.80 -2.12 116.97 122.96 2i7k h TYR 90 Ca 0.09 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 2i7k h TYR 90 Cb 0.09 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.30 2i7k h TYR 90 CO -0.03 0.39 0.17 0.87 -1.32 0.00 0.00 178.16 178.24 2i7k h LYS 91 N -0.05 0.75 -0.46 1.82 1.79 -1.82 -1.99 116.57 116.61 2i7k h LYS 91 Ca 0.03 -0.15 0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2i7k h LYS 91 Cb 0.30 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 2i7k h LYS 91 CO 0.00 0.69 0.26 0.00 -1.08 0.00 0.00 179.45 179.32 2i7k h ALA 92 N 1.03 0.58 -0.41 3.86 0.00 -0.26 0.22 119.26 124.27 2i7k h ALA 92 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2i7k h ALA 92 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2i7k h ALA 92 CO -0.01 -0.06 0.18 0.00 0.00 0.00 0.00 179.25 179.36 2i7k h ALA 93 N 1.21 0.53 -0.18 0.00 0.00 -1.26 -0.27 119.26 119.30 2i7k h ALA 93 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2i7k h ALA 93 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2i7k h ALA 93 CO -0.10 0.11 0.03 -0.22 0.00 0.00 0.00 179.25 179.07 2i7k h LYS 94 N 0.52 0.30 -0.83 0.00 1.63 -1.04 -2.29 116.57 114.86 2i7k h LYS 94 Ca 0.14 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2i7k h LYS 94 Cb 0.15 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 2i7k h LYS 94 CO -0.02 0.46 0.48 0.87 -3.45 0.00 0.00 179.45 177.80 2i7k h LYS 95 N 0.09 1.13 -0.76 1.90 1.57 -0.49 -2.32 116.57 117.68 2i7k h LYS 95 Ca 0.05 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2i7k h LYS 95 Cb 0.31 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2i7k h LYS 95 CO 0.00 0.81 0.32 1.25 -0.57 0.00 0.00 179.45 181.26 2i7k h LEU 96 N 1.15 1.03 -0.74 2.94 7.12 -0.91 -2.42 115.31 123.48 2i7k h LEU 96 Ca 0.30 -0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 2i7k h LEU 96 Cb -0.02 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 39.81 2i7k h LEU 96 CO -0.05 0.91 0.46 0.25 -0.13 0.00 0.00 178.44 179.88 2i7k h LEU 97 N 1.09 0.87 -1.00 2.25 7.12 -0.89 0.53 115.31 125.29 2i7k h LEU 97 Ca 0.26 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2i7k h LEU 97 Cb 0.18 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 40.05 2i7k h LEU 97 CO -0.02 0.66 0.63 0.45 -0.13 0.00 0.00 178.44 180.03 2i7k h HIS 98 N 1.00 1.26 -0.27 1.25 3.86 -1.09 0.20 115.15 121.37 2i7k h HIS 98 Ca 0.27 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.31 2i7k h HIS 98 Cb -0.06 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 27.99 2i7k h HIS 98 CO -0.01 0.81 -0.54 1.03 0.86 0.00 0.00 177.93 180.08 2i7k h SER 99 N 1.34 0.94 -0.44 2.45 0.87 -0.95 -2.52 113.55 115.23 2i7k h SER 99 Ca 0.36 -0.54 -0.15 0.00 -1.23 0.00 0.00 61.79 60.23 2i7k h SER 99 Cb -0.12 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.56 2i7k h SER 99 CO -0.07 1.30 -0.29 1.23 -0.53 0.00 0.00 176.83 178.47 2i7k h GLY 100 N 0.61 1.06 0.99 5.77 0.00 -0.48 -1.67 103.07 109.34 2i7k h GLY 100 Ca 0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.25 2i7k h GLY 100 CO 0.12 0.91 -0.09 0.00 0.00 0.00 0.00 176.54 177.48 2i7k h MET 101 N 0.82 0.80 -0.27 4.80 3.00 -0.65 -0.78 114.93 122.66 2i7k h MET 101 Ca 0.09 -0.30 -0.07 0.00 0.00 0.00 0.00 59.70 59.42 2i7k h MET 101 Cb 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 31.60 32.42 2i7k h MET 101 CO 0.08 0.92 -0.12 1.57 0.00 0.00 0.00 176.91 179.36 2i7k h LYS 102 N 0.63 0.55 -0.34 -0.10 5.09 -1.45 -2.55 116.57 118.40 2i7k h LYS 102 Ca 0.11 -0.24 -0.07 0.00 0.09 0.00 0.00 60.65 60.54 2i7k h LYS 102 Cb 0.61 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 32.91 2i7k h LYS 102 CO 0.04 0.79 -0.10 -0.84 -2.09 0.00 0.00 179.45 177.26 2i7k h ILE 103 N 0.29 1.23 -0.16 0.07 -0.00 -1.30 -2.47 117.51 115.17 2i7k h ILE 103 Ca 0.06 -1.02 -0.06 0.00 -0.00 0.00 0.00 64.86 63.85 2i7k h ILE 103 Cb 0.62 1.08 -0.01 0.00 -0.00 0.00 0.00 36.82 38.51 2i7k h ILE 103 CO 0.04 0.34 -0.16 -0.07 -0.00 0.00 0.00 178.15 178.29 2i7k h LEU 104 N 0.53 0.24 -2.00 0.16 3.38 -1.04 -2.10 115.31 114.49 2i7k h LEU 104 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2i7k h LEU 104 Cb 0.49 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2i7k h LEU 104 CO 0.03 0.43 -0.07 0.28 0.09 0.00 0.00 178.44 179.20 2i7k h SER 105 N 0.24 0.00 -0.56 -0.43 0.02 -1.01 -2.68 113.55 109.13 2i7k h SER 105 Ca 0.05 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 2i7k h SER 105 Cb 0.43 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2i7k h SER 105 CO 0.03 0.07 0.38 -0.61 -1.14 0.00 0.00 176.83 175.55 2i7k h GLN 106 N 0.00 0.39 0.00 3.45 5.75 -1.39 0.75 115.11 124.07 2i7k h GLN 106 Ca -0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2i7k h GLN 106 Cb 0.33 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2i7k h GLN 106 CO 0.01 0.26 -0.20 1.49 -2.65 0.00 0.00 178.83 177.73 2i7k h GLU 107 N 0.40 0.00 -1.02 1.69 4.22 -1.64 -3.03 114.58 115.19 2i7k h GLU 107 Ca 0.26 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.41 2i7k h GLU 107 Cb 0.48 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.57 2i7k h GLU 107 CO -0.07 0.20 0.36 0.54 -2.18 0.00 0.00 179.01 177.86 2i7k n ARG 108 N -3.40 1.68 -3.65 1.92 1.74 0.26 -4.81 116.66 110.40 2i7k n ARG 108 Ca -0.00 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 2i7k n ARG 108 Cb 0.40 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.15 2i7k n ARG 108 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2i7k s LEU 109 N -1.78 -0.24 0.13 0.55 0.20 -1.15 -5.09 118.68 111.30 2i7k s LEU 109 Ca 0.31 0.39 0.00 0.00 0.69 0.00 0.00 54.13 55.52 2i7k s LEU 109 Cb 0.26 1.36 0.00 0.00 -0.43 0.00 0.00 46.19 47.37 2i7k s LEU 109 CO 0.06 -0.06 0.00 -0.62 -0.29 0.00 0.00 176.35 175.43 2i7k n GLU 110 N 3.34 0.00 -2.06 1.98 -0.58 -1.26 -4.88 120.64 117.18 2i7k n GLU 110 Ca -0.18 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.13 2i7k n GLU 110 Cb 0.57 -0.15 -0.03 0.00 -0.57 0.00 0.00 31.44 31.26 2i7k n GLU 110 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2i7k s HIS 111 N -1.63 1.96 0.08 -0.32 3.76 -1.26 -4.99 115.29 112.89 2i7k s HIS 111 Ca 0.00 0.57 0.03 0.00 -0.15 0.00 0.00 55.06 55.51 2i7k s HIS 111 Cb 0.00 -4.08 -0.04 0.00 1.11 0.00 0.00 32.58 29.57 2i7k s HIS 111 CO 0.00 -2.94 0.06 -1.01 -0.85 0.00 0.00 174.74 170.01 2i7k s HIS 112 N 6.03 3.16 -0.00 1.40 3.76 -1.26 -5.03 115.29 123.34 2i7k s HIS 112 Ca 0.75 0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.73 2i7k s HIS 112 Cb -0.23 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 2i7k s HIS 112 CO 0.32 0.51 -0.00 0.72 -0.85 0.00 0.00 174.74 175.44 2i7k n HIS 113 N 0.53 0.00 0.04 1.40 8.25 -1.26 -5.02 115.22 119.16 2i7k n HIS 113 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2i7k n HIS 113 Cb 0.52 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2i7k n HIS 113 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2i7k n HIS 114 N -2.73 -0.51 0.00 4.41 -0.00 -1.26 -5.09 115.22 110.05 2i7k n HIS 114 Ca -0.01 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2i7k n HIS 114 Cb 0.50 0.30 0.00 0.00 -0.12 0.00 0.00 29.99 30.67 2i7k n HIS 114 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2i7k n HIS 115 N -2.84 -0.51 -0.23 1.57 -0.00 -1.26 -5.32 115.22 106.64 2i7k n HIS 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2i7k n HIS 115 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06