#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 0.56 -0.63 3.17 2.12 -1.26 -5.01 118.70 117.65 2i7k s GLU 1 Ca 0.00 -0.93 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 2i7k s GLU 1 Cb 0.00 -0.91 0.20 0.00 0.26 0.00 0.00 34.13 33.68 2i7k s GLU 1 CO 0.00 -1.18 2.41 0.39 -0.54 0.00 0.00 175.26 176.34 2i7k n GLU 2 N 4.32 2.54 -2.16 4.30 1.02 -1.26 -4.76 120.64 124.64 2i7k n GLU 2 Ca 0.09 -2.86 -0.16 0.00 -0.02 0.00 0.00 57.16 54.22 2i7k n GLU 2 Cb 0.43 -2.19 -0.02 0.00 -0.02 0.00 0.00 31.44 29.63 2i7k n GLU 2 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2i7k n VAL 3 N 0.20 -0.54 -0.08 2.62 0.31 -1.26 -0.88 118.33 118.70 2i7k n VAL 3 Ca 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 2i7k n VAL 3 Cb 0.42 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 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 -2.66 0.00 0.00 5.55 1.02 -1.26 -3.68 120.64 119.61 2i7k n GLU 4 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2i7k n GLU 4 Cb 0.61 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 2i7k n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2i7k n GLN 5 N -2.00 0.00 -0.10 3.49 3.00 -0.06 -4.69 117.38 117.02 2i7k n GLN 5 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 2i7k n GLN 5 Cb 0.00 -2.23 -0.05 0.00 0.00 0.00 0.00 30.24 27.96 2i7k n GLN 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2i7k n THR 6 N -1.74 1.50 -0.28 5.09 -1.04 -1.25 -4.38 114.28 112.18 2i7k n THR 6 Ca 0.00 -0.01 0.21 0.00 -2.04 0.00 0.00 64.05 62.22 2i7k n THR 6 Cb 0.00 -2.20 0.52 0.00 -1.82 0.00 0.00 70.33 66.83 2i7k n THR 6 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2i7k h PRO 7 N -1.00 0.37 -0.65 -2.82 0.11 -1.84 -0.23 132.00 125.95 2i7k h PRO 7 Ca -0.23 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.91 2i7k h PRO 7 Cb 1.11 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 2i7k h PRO 7 CO -0.14 0.25 0.36 -0.07 -0.21 0.00 0.00 178.00 178.19 2i7k h LEU 8 N 0.38 0.55 -0.58 2.35 3.38 -1.79 0.13 115.31 119.73 2i7k h LEU 8 Ca 0.52 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.49 2i7k h LEU 8 Cb 1.36 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2i7k h LEU 8 CO -0.21 0.36 0.25 -0.61 0.09 0.00 0.00 178.44 178.32 2i7k h GLN 9 N 0.68 0.85 -0.41 1.13 4.15 -1.24 0.14 115.11 120.41 2i7k h GLN 9 Ca 0.28 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 2i7k h GLN 9 Cb 0.15 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 2i7k h GLN 9 CO -0.17 0.71 0.02 1.49 -1.93 0.00 0.00 178.83 178.96 2i7k h GLU 10 N 0.79 0.71 -0.17 1.69 4.57 -1.22 0.15 114.58 121.10 2i7k h GLU 10 Ca 0.19 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2i7k h GLU 10 Cb 0.17 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2i7k h GLU 10 CO -0.02 0.78 0.05 0.00 -1.18 0.00 0.00 179.01 178.64 2i7k h ALA 11 N 0.90 0.22 -0.35 2.92 0.00 -0.58 -1.99 119.26 120.38 2i7k h ALA 11 Ca 0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2i7k h ALA 11 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2i7k h ALA 11 CO 0.02 -0.15 -0.37 1.37 0.00 0.00 0.00 179.25 180.12 2i7k h LEU 12 N 0.08 0.87 -1.04 0.00 8.10 -0.95 -2.53 115.31 119.84 2i7k h LEU 12 Ca 0.05 -0.38 0.01 0.00 0.11 0.00 0.00 57.88 57.67 2i7k h LEU 12 Cb 0.25 -0.24 -0.05 0.00 -0.44 0.00 0.00 40.66 40.18 2i7k h LEU 12 CO -0.00 1.14 0.65 0.78 -4.11 0.00 0.00 178.44 176.90 2i7k h ASN 13 N 0.68 1.12 -0.17 0.17 2.35 -0.64 0.10 115.58 119.19 2i7k h ASN 13 Ca 0.06 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2i7k h ASN 13 Cb 0.93 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 2i7k h ASN 13 CO 0.09 0.81 -0.02 1.56 -1.65 0.00 0.00 177.43 178.22 2i7k h GLN 14 N 1.32 0.32 -0.86 0.81 4.20 -1.25 -2.29 115.11 117.36 2i7k h GLN 14 Ca 0.36 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.97 2i7k h GLN 14 Cb -0.15 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 2i7k h GLN 14 CO -0.08 0.56 0.57 -0.07 -0.67 0.00 0.00 178.83 179.14 2i7k h LEU 15 N 0.04 0.97 -0.82 1.46 4.07 -1.09 -2.14 115.31 117.80 2i7k h LEU 15 Ca 0.05 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.99 2i7k h LEU 15 Cb 0.43 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 2i7k h LEU 15 CO 0.01 0.69 0.54 0.24 -1.08 0.00 0.00 178.44 178.84 2i7k h MET 16 N 1.14 1.09 -0.87 1.13 2.86 -0.88 -2.24 114.93 117.16 2i7k h MET 16 Ca 0.33 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2i7k h MET 16 Cb -0.08 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.29 2i7k h MET 16 CO -0.09 0.73 0.57 0.00 1.06 0.00 0.00 176.91 179.18 2i7k h ARG 17 N 1.12 1.11 -0.80 1.72 3.08 -0.81 -2.16 114.38 117.65 2i7k h ARG 17 Ca 0.30 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 2i7k h ARG 17 Cb -0.12 -0.25 -0.04 0.00 0.08 0.00 0.00 29.97 29.64 2i7k h ARG 17 CO -0.06 0.74 0.48 1.96 -1.07 0.00 0.00 179.97 182.01 2i7k h GLN 18 N 1.15 1.09 -0.90 0.04 4.20 -0.99 -1.81 115.11 117.90 2i7k h GLN 18 Ca 0.33 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.95 2i7k h GLN 18 Cb -0.09 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.42 2i7k h GLN 18 CO -0.09 0.77 0.60 -0.07 -0.67 0.00 0.00 178.83 179.37 2i7k h LEU 19 N 1.10 1.03 -0.80 1.46 3.38 -0.94 -2.36 115.31 118.18 2i7k h LEU 19 Ca 0.29 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 2i7k h LEU 19 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2i7k h LEU 19 CO -0.05 0.75 -0.16 1.56 0.09 0.00 0.00 178.44 180.62 2i7k h GLN 20 N 1.22 0.73 0.00 1.13 4.20 -0.96 -2.70 115.11 118.72 2i7k h GLN 20 Ca 0.33 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2i7k h GLN 20 Cb -0.14 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2i7k h GLN 20 CO -0.07 0.85 0.00 -0.09 -0.67 0.00 0.00 178.83 178.85 2i7k h ARG 21 N 0.65 0.00 0.00 1.46 2.43 -0.81 -3.33 114.38 114.77 2i7k h ARG 21 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2i7k h ARG 21 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2i7k h ARG 21 CO 0.05 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.14 2i7k n LYS 22 N -2.54 0.00 0.00 0.20 4.76 -1.02 -4.98 118.16 114.58 2i7k n LYS 22 Ca 0.01 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2i7k n LYS 22 Cb 0.21 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.73 0.00 0.13 4.39 8.00 -1.25 -4.97 116.55 121.12 2i7k n ASP 23 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 2i7k n ASP 23 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.23 -0.04 -0.24 0.11 -1.89 -2.28 132.00 127.89 2i7k h PRO 24 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.09 2i7k h PRO 24 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2i7k h PRO 24 CO 0.00 0.27 0.08 0.77 -0.21 0.00 0.00 178.00 178.91 2i7k h SER 25 N 0.22 0.00 -1.08 -2.05 0.02 -1.82 -2.46 113.55 106.39 2i7k h SER 25 Ca 0.05 0.00 0.31 0.00 -0.84 0.00 0.00 61.79 61.32 2i7k h SER 25 Cb 0.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2i7k h SER 25 CO 0.01 0.00 0.78 0.00 -1.14 0.00 0.00 176.83 176.47 2i7k h ALA 26 N 1.87 3.02 0.11 3.77 0.00 -1.63 0.75 119.26 127.15 2i7k h ALA 26 Ca 0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2i7k h ALA 26 Cb 0.19 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2i7k h ALA 26 CO -0.00 -1.33 -0.95 0.74 0.00 0.00 0.00 179.25 177.71 2i7k h PHE 27 N 0.00 0.43 -0.54 0.00 0.04 -1.68 -3.34 116.94 111.85 2i7k h PHE 27 Ca 0.51 -0.31 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 2i7k h PHE 27 Cb 2.06 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 40.14 2i7k h PHE 27 CO 0.00 1.37 0.12 1.19 -0.60 0.00 0.00 178.31 180.39 2i7k n PHE 28 N -4.13 1.85 0.12 -0.55 3.72 -0.34 -4.23 117.46 113.91 2i7k n PHE 28 Ca -0.18 -0.81 0.03 0.00 -0.05 0.00 0.00 57.45 56.44 2i7k n PHE 28 Cb 0.81 -0.52 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 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 2.64 0.00 -4.13 4.37 0.87 0.33 -1.74 113.55 115.90 2i7k h SER 29 Ca 0.12 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 60.06 2i7k h SER 29 Cb 1.88 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 63.60 2i7k h SER 29 CO 0.51 0.47 -0.85 0.72 -0.53 0.00 0.00 176.83 177.15 2i7k s PHE 30 N -2.98 2.02 -0.21 2.24 -0.71 -1.26 -1.96 117.98 115.13 2i7k s PHE 30 Ca 0.03 -0.40 -0.37 0.00 -1.04 0.00 0.00 56.93 55.15 2i7k s PHE 30 Cb 0.08 -1.13 -0.13 0.00 -1.21 0.00 0.00 43.02 40.62 2i7k s PHE 30 CO 0.76 0.22 1.87 -2.30 -1.34 0.00 0.00 175.22 174.42 2i7k n PRO 31 N 1.24 1.60 -1.03 1.99 -0.02 -1.26 -4.83 135.00 132.69 2i7k n PRO 31 Ca -0.18 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.53 2i7k n PRO 31 Cb 0.53 -2.40 0.12 0.00 -0.02 0.00 0.00 33.50 31.73 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 5.22 1.38 -4.18 -1.45 0.24 -1.26 -5.04 118.33 113.24 2i7k n VAL 32 Ca 0.27 -0.22 -0.10 0.00 -2.04 0.00 0.00 64.34 62.25 2i7k n VAL 32 Cb 0.22 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.58 2i7k n VAL 32 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2i7k n THR 33 N -3.28 0.00 0.73 3.34 -2.24 -1.26 -4.90 114.28 106.67 2i7k n THR 33 Ca 0.11 -1.05 0.08 0.00 -2.27 0.00 0.00 64.05 60.93 2i7k n THR 33 Cb 0.51 0.44 0.40 0.00 -2.10 0.00 0.00 70.33 69.58 2i7k n THR 33 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2i7k n ASP 34 N -2.09 0.00 -0.02 3.42 2.03 -1.26 -1.15 116.55 117.48 2i7k n ASP 34 Ca 0.00 0.16 -0.03 0.00 0.52 0.00 0.00 54.79 55.44 2i7k n ASP 34 Cb 0.26 -0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 2i7k n ASP 34 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2i7k n PHE 35 N -1.34 0.00 -0.16 -0.67 -0.00 -1.26 -4.71 117.46 109.33 2i7k n PHE 35 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.43 2i7k n PHE 35 Cb 0.15 -0.15 0.05 0.00 -0.00 0.00 0.00 39.48 39.53 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 -0.05 1.27 -2.83 -2.13 2.04 -1.94 -3.44 117.51 110.44 2i7k h ILE 36 Ca -0.09 -1.24 -0.59 0.00 1.00 0.00 0.00 64.86 63.93 2i7k h ILE 36 Cb 1.12 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 2i7k h ILE 36 CO -0.03 0.44 -0.52 0.00 0.00 0.00 0.00 178.15 178.04 2i7k s ALA 37 N -4.83 3.86 -2.00 1.87 0.00 -0.30 -4.82 121.76 115.54 2i7k s ALA 37 Ca -0.11 -0.97 0.17 0.00 0.00 0.00 0.00 51.96 51.05 2i7k s ALA 37 Cb 0.13 -1.69 1.02 0.00 0.00 0.00 0.00 23.12 22.58 2i7k s ALA 37 CO 0.85 0.69 1.58 -2.30 0.00 0.00 0.00 175.76 176.58 2i7k n PRO 38 N -0.01 0.89 0.00 0.00 -0.02 -1.26 -4.63 135.00 129.97 2i7k n PRO 38 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2i7k n PRO 38 Cb 0.52 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2i7k n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2i7k n GLY 39 N 0.63 0.38 0.22 -1.23 0.00 -1.26 -5.04 105.19 98.89 2i7k n GLY 39 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 0.38 0.00 1.61 -1.99 -1.86 0.26 116.97 115.38 2i7k h TYR 40 Ca 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 2i7k h TYR 40 Cb 0.00 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 2i7k h TYR 40 CO 0.00 0.12 -0.05 1.03 -0.00 0.00 0.00 178.16 179.26 2i7k h SER 41 N 0.41 0.00 0.55 3.88 0.87 -1.88 1.23 113.55 118.60 2i7k h SER 41 Ca 0.27 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.54 2i7k h SER 41 Cb 0.30 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2i7k h SER 41 CO -0.26 0.05 -1.46 -0.03 -0.53 0.00 0.00 176.83 174.59 2i7k h MET 42 N 0.00 0.18 0.00 2.24 -1.53 -1.40 -3.43 114.93 110.99 2i7k h MET 42 Ca -0.00 -0.31 -0.10 0.00 -3.44 0.00 0.00 59.70 55.85 2i7k h MET 42 Cb 0.13 0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.27 2i7k h MET 42 CO 0.01 1.03 -1.37 1.51 0.14 0.00 0.00 176.91 178.23 2i7k n ILE 43 N -3.39 0.36 -3.22 1.77 0.13 -0.47 -4.90 119.36 109.64 2i7k n ILE 43 Ca -0.14 -0.11 -0.46 0.00 -1.10 0.00 0.00 62.75 60.94 2i7k n ILE 43 Cb 1.03 -1.24 -0.02 0.00 -0.84 0.00 0.00 39.64 38.56 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 -2.12 5.34 0.00 9.51 -1.09 0.42 -4.96 121.20 128.29 2i7k s ILE 44 Ca -0.09 -2.13 -0.01 0.00 -2.23 0.00 0.00 60.65 56.20 2i7k s ILE 44 Cb 0.03 -4.54 -0.00 0.00 -1.58 0.00 0.00 42.46 36.37 2i7k s ILE 44 CO 0.13 -1.14 1.01 0.50 -1.23 0.00 0.00 174.94 174.20 2i7k h LYS 45 N 8.16 -0.01 -3.59 2.79 3.11 -1.83 -3.35 116.57 121.86 2i7k h LYS 45 Ca 0.08 0.00 -0.69 0.00 -2.81 0.00 0.00 60.65 57.23 2i7k h LYS 45 Cb 1.04 0.00 -0.36 0.00 -1.00 0.00 0.00 32.23 31.91 2i7k h LYS 45 CO 0.87 -0.00 -0.42 -1.58 -2.81 0.00 0.00 179.45 175.51 2i7k s HIS 46 N -3.04 3.38 -0.05 1.91 2.46 -1.26 -4.82 115.29 113.86 2i7k s HIS 46 Ca -0.00 -2.79 -0.22 0.00 0.47 0.00 0.00 55.06 52.51 2i7k s HIS 46 Cb 0.00 -3.13 -0.30 0.00 -0.13 0.00 0.00 32.58 29.02 2i7k s HIS 46 CO 0.01 -0.83 0.90 -1.00 -2.47 0.00 0.00 174.74 171.35 2i7k h PRO 47 N 6.97 0.28 -5.48 2.88 0.13 -1.93 -3.44 132.00 131.40 2i7k h PRO 47 Ca -0.03 -0.47 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2i7k h PRO 47 Cb 0.94 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2i7k h PRO 47 CO 0.71 1.21 -0.92 -1.33 -0.23 0.00 0.00 178.00 177.44 2i7k n MET 48 N -4.17 -2.61 -0.88 0.86 2.81 -1.26 -3.42 117.12 108.44 2i7k n MET 48 Ca -0.13 2.22 -0.28 0.00 -1.81 0.00 0.00 57.70 57.70 2i7k n MET 48 Cb 0.78 -4.44 0.22 0.00 -0.71 0.00 0.00 33.22 29.07 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 -1.69 1.76 0.38 7.83 1.11 -1.26 -4.59 116.67 120.21 2i7k s ASP 49 Ca 0.07 1.30 0.10 0.00 0.18 0.00 0.00 52.55 54.21 2i7k s ASP 49 Cb -0.02 -2.03 0.88 0.00 1.07 0.00 0.00 42.92 42.83 2i7k s ASP 49 CO 0.65 -3.68 1.92 -0.26 1.18 0.00 0.00 175.17 174.97 2i7k h PHE 50 N -2.27 0.67 -0.14 4.23 0.04 -1.50 -0.32 116.94 117.65 2i7k h PHE 50 Ca -0.58 0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.02 2i7k h PHE 50 Cb 1.34 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 39.28 2i7k h PHE 50 CO 0.26 0.29 -0.62 0.77 -0.60 0.00 0.00 178.31 178.42 2i7k h SER 51 N 0.61 0.79 -0.18 2.17 0.02 -1.61 -1.87 113.55 113.47 2i7k h SER 51 Ca 0.37 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2i7k h SER 51 Cb 0.60 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2i7k h SER 51 CO -0.14 1.29 0.06 0.74 -1.14 0.00 0.00 176.83 177.64 2i7k h THR 52 N 0.35 1.17 -0.45 -2.27 2.02 -1.64 -1.21 112.91 110.88 2i7k h THR 52 Ca -0.04 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 2i7k h THR 52 Cb 1.25 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 2i7k h THR 52 CO 0.13 0.17 0.10 0.00 0.37 0.00 0.00 175.52 176.29 2i7k h MET 53 N 0.13 0.73 -0.99 6.66 3.00 -1.16 -2.19 114.93 121.11 2i7k h MET 53 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 59.70 59.60 2i7k h MET 53 Cb 0.20 -0.09 -0.05 0.00 0.00 0.00 0.00 31.60 31.66 2i7k h MET 53 CO -0.00 0.74 0.66 -0.22 0.00 0.00 0.00 176.91 178.08 2i7k h LYS 54 N 0.60 1.26 -0.62 -0.10 3.64 -1.24 -0.53 116.57 119.58 2i7k h LYS 54 Ca 0.14 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2i7k h LYS 54 Cb 0.34 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2i7k h LYS 54 CO 0.00 0.83 0.04 0.93 -2.27 0.00 0.00 179.45 178.99 2i7k h GLU 55 N 1.30 1.06 -0.41 1.90 5.08 -1.01 -2.50 114.58 120.00 2i7k h GLU 55 Ca 0.38 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2i7k h GLU 55 Cb -0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2i7k h GLU 55 CO -0.10 1.01 0.00 0.87 -1.00 0.00 0.00 179.01 179.79 2i7k h LYS 56 N 0.97 0.72 -0.88 2.33 6.56 -0.74 -2.99 116.57 122.54 2i7k h LYS 56 Ca 0.18 -0.23 0.03 0.00 -1.06 0.00 0.00 60.65 59.57 2i7k h LYS 56 Cb 0.51 -0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 32.05 2i7k h LYS 56 CO 0.02 0.80 0.58 0.82 -2.06 0.00 0.00 179.45 179.61 2i7k h ILE 57 N 0.55 1.17 0.00 1.86 2.04 -0.98 0.14 117.51 122.29 2i7k h ILE 57 Ca 0.12 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 2i7k h ILE 57 Cb 0.48 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2i7k h ILE 57 CO 0.02 0.21 -0.02 0.11 0.00 0.00 0.00 178.15 178.46 2i7k h LYS 58 N 1.14 0.00 -0.72 2.37 1.57 -1.31 -0.81 116.57 118.80 2i7k h LYS 58 Ca 0.34 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 2i7k h LYS 58 Cb -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2i7k h LYS 58 CO -0.10 0.02 0.07 0.09 -0.57 0.00 0.00 179.45 178.97 2i7k n ASN 59 N -4.20 4.58 -1.33 0.86 3.02 -0.46 -4.88 115.26 112.84 2i7k n ASN 59 Ca -0.03 -2.81 -0.17 0.00 -0.03 0.00 0.00 54.58 51.54 2i7k n ASN 59 Cb 0.11 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.54 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 0.31 -5.08 0.08 6.41 2.85 -0.31 -4.86 115.26 114.66 2i7k n ASN 60 Ca 0.25 0.42 -0.06 0.00 -0.11 0.00 0.00 54.58 55.08 2i7k n ASN 60 Cb 1.06 -4.10 0.08 0.00 1.24 0.00 0.00 39.78 38.06 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2i7k h ASP 61 N 0.00 0.30 -3.44 1.20 1.82 -0.91 -3.41 116.42 111.98 2i7k h ASP 61 Ca -0.35 -0.19 -0.59 0.00 -0.39 0.00 0.00 57.03 55.50 2i7k h ASP 61 Cb 1.13 -0.09 -0.38 0.00 0.68 0.00 0.00 39.33 40.67 2i7k h ASP 61 CO 0.52 0.89 -0.80 -0.31 -1.61 0.00 0.00 179.24 177.93 2i7k s TYR 62 N -3.64 2.15 0.00 0.28 2.02 -1.25 -4.91 117.35 112.02 2i7k s TYR 62 Ca -0.04 -1.46 0.00 0.00 -0.37 0.00 0.00 57.07 55.20 2i7k s TYR 62 Cb 0.11 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 40.17 2i7k s TYR 62 CO 0.81 -0.71 0.88 0.94 -1.57 0.00 0.00 175.55 175.90 2i7k n GLN 63 N 4.75 0.00 -4.66 -0.62 0.00 -1.26 -4.66 117.38 110.93 2i7k n GLN 63 Ca -0.13 -0.88 -0.25 0.00 -0.00 0.00 0.00 57.00 55.74 2i7k n GLN 63 Cb 0.46 -0.50 -0.16 0.00 0.00 0.00 0.00 30.24 30.04 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2i7k s SER 64 N -0.76 1.91 0.34 1.69 0.01 -1.26 -4.98 113.70 110.64 2i7k s SER 64 Ca 0.00 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.02 2i7k s SER 64 Cb 0.00 -0.82 0.78 0.00 0.21 0.00 0.00 66.02 66.20 2i7k s SER 64 CO 0.00 0.06 1.85 0.16 0.41 0.00 0.00 173.24 175.72 2i7k h ILE 65 N 5.82 0.81 -0.38 1.44 -0.00 -1.98 0.28 117.51 123.50 2i7k h ILE 65 Ca -0.30 -0.25 -0.16 0.00 -0.00 0.00 0.00 64.86 64.15 2i7k h ILE 65 Cb 1.19 0.02 -0.01 0.00 -0.00 0.00 0.00 36.82 38.02 2i7k h ILE 65 CO 0.48 0.13 -0.37 -0.08 -0.00 0.00 0.00 178.15 178.31 2i7k h GLU 66 N 0.73 0.92 -0.11 0.16 4.81 -1.97 0.25 114.58 119.37 2i7k h GLU 66 Ca 0.48 -0.48 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2i7k h GLU 66 Cb 0.75 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 2i7k h GLU 66 CO -0.24 1.14 -0.07 0.93 -0.73 0.00 0.00 179.01 180.03 2i7k h GLU 67 N 0.74 0.24 -0.23 1.92 4.39 -1.48 -1.12 114.58 119.04 2i7k h GLU 67 Ca 0.06 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 2i7k h GLU 67 Cb 0.96 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2i7k h GLU 67 CO 0.09 0.62 -0.25 1.37 -1.16 0.00 0.00 179.01 179.68 2i7k h LEU 68 N -0.14 0.62 -0.68 1.33 8.10 -0.58 -2.57 115.31 121.39 2i7k h LEU 68 Ca 0.02 -0.48 -0.03 0.00 0.11 0.00 0.00 57.88 57.49 2i7k h LEU 68 Cb 0.56 -0.18 -0.03 0.00 -0.44 0.00 0.00 40.66 40.57 2i7k h LEU 68 CO 0.02 0.98 0.29 0.50 -4.11 0.00 0.00 178.44 176.12 2i7k h LYS 69 N 0.28 1.01 -0.44 0.17 3.64 -1.01 -1.83 116.57 118.38 2i7k h LYS 69 Ca 0.03 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2i7k h LYS 69 Cb 0.81 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2i7k h LYS 69 CO 0.06 0.82 0.28 0.22 -2.27 0.00 0.00 179.45 178.57 2i7k h ASP 70 N 0.96 0.48 -0.07 4.20 1.82 -1.19 0.15 116.42 122.78 2i7k h ASP 70 Ca 0.23 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2i7k h ASP 70 Cb 0.18 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.07 2i7k h ASP 70 CO -0.02 0.35 0.03 -1.13 -1.61 0.00 0.00 179.24 176.86 2i7k h ASN 71 N 0.58 0.09 -0.13 2.28 -0.00 -1.22 0.25 115.58 117.43 2i7k h ASN 71 Ca 0.17 -0.13 -0.00 0.00 -0.00 0.00 0.00 56.30 56.34 2i7k h ASN 71 Cb -0.05 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 2i7k h ASN 71 CO -0.05 0.19 0.07 0.15 -0.00 0.00 0.00 177.43 177.79 2i7k h PHE 72 N -0.01 0.18 -0.49 0.67 3.57 -1.18 -2.54 116.94 117.14 2i7k h PHE 72 Ca 0.02 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2i7k h PHE 72 Cb 0.13 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2i7k h PHE 72 CO -0.03 0.21 0.16 -0.22 -2.23 0.00 0.00 178.31 176.20 2i7k h LYS 73 N 0.10 0.71 -0.36 1.11 3.64 -0.64 -2.14 116.57 119.00 2i7k h LYS 73 Ca 0.05 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2i7k h LYS 73 Cb 0.09 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2i7k h LYS 73 CO -0.01 0.61 0.23 -0.07 -2.27 0.00 0.00 179.45 177.95 2i7k h LEU 74 N 0.70 0.42 -0.56 5.20 3.38 -0.17 -0.47 115.31 123.81 2i7k h LEU 74 Ca 0.17 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2i7k h LEU 74 Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2i7k h LEU 74 CO -0.01 0.32 -0.05 -0.03 0.09 0.00 0.00 178.44 178.76 2i7k h MET 75 N 0.48 1.03 -0.14 1.13 4.05 -1.22 0.10 114.93 120.36 2i7k h MET 75 Ca 0.13 -0.35 0.01 0.00 -0.28 0.00 0.00 59.70 59.21 2i7k h MET 75 Cb -0.03 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2i7k h MET 75 CO -0.03 1.04 0.04 0.00 0.23 0.00 0.00 176.91 178.19 2i7k h THR 77 N 0.10 1.27 -0.33 0.00 2.02 -1.00 -2.00 112.91 112.97 2i7k h THR 77 Ca 0.06 -1.33 -0.10 0.00 0.77 0.00 0.00 66.41 65.81 2i7k h THR 77 Cb 0.04 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2i7k h THR 77 CO -0.07 0.43 -0.20 0.78 0.37 0.00 0.00 175.52 176.83 2i7k h ASN 78 N 0.53 0.61 -0.03 4.18 4.21 -0.19 0.16 115.58 125.05 2i7k h ASN 78 Ca 0.07 -0.20 -0.19 0.00 1.21 0.00 0.00 56.30 57.19 2i7k h ASN 78 Cb 0.72 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2i7k h ASN 78 CO 0.06 0.81 -0.67 0.00 -1.29 0.00 0.00 177.43 176.34 2i7k h ALA 79 N 1.24 0.51 0.00 -0.83 0.00 0.32 -2.32 119.26 118.18 2i7k h ALA 79 Ca 0.08 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 2i7k h ALA 79 Cb 0.64 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2i7k h ALA 79 CO 0.05 0.70 -0.93 0.00 0.00 0.00 0.00 179.25 179.07 2i7k h MET 80 N 0.47 0.00 -0.05 0.00 -0.00 -1.23 -3.14 114.93 110.97 2i7k h MET 80 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.58 2i7k h MET 80 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.86 2i7k h MET 80 CO 0.13 0.81 -0.36 0.97 -0.00 0.00 0.00 176.91 178.46 2i7k h ILE 81 N 0.00 1.43 -0.74 -0.10 6.09 -0.69 -3.25 117.51 120.25 2i7k h ILE 81 Ca -0.03 -1.80 -0.41 0.00 -1.37 0.00 0.00 64.86 61.24 2i7k h ILE 81 Cb 1.68 2.40 -0.22 0.00 0.47 0.00 0.00 36.82 41.15 2i7k h ILE 81 CO 0.11 0.52 0.53 0.00 -3.07 0.00 0.00 178.15 176.23 2i7k n TYR 82 N -4.40 2.30 -3.25 2.19 9.36 -0.87 -4.76 117.16 117.73 2i7k n TYR 82 Ca -0.09 -1.76 -0.03 0.00 3.32 0.00 0.00 57.90 59.34 2i7k n TYR 82 Cb 0.53 -0.88 -0.04 0.00 -0.63 0.00 0.00 39.34 38.31 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 -0.73 -0.50 0.91 2.98 2.47 -1.19 -4.92 114.94 113.97 2i7k s ASN 83 Ca 0.43 0.39 -0.14 0.00 0.42 0.00 0.00 52.86 53.97 2i7k s ASN 83 Cb 0.36 1.58 0.18 0.00 -1.45 0.00 0.00 41.25 41.92 2i7k s ASN 83 CO 0.06 -0.29 1.26 -0.54 -3.72 0.00 0.00 177.10 173.87 2i7k s LYS 84 N 2.69 0.91 -0.55 0.43 1.02 -1.26 -4.62 119.74 118.35 2i7k s LYS 84 Ca 0.15 -0.45 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 2i7k s LYS 84 Cb -0.14 -1.92 -0.26 0.00 -0.52 0.00 0.00 37.83 34.98 2i7k s LYS 84 CO -0.20 -2.20 1.82 -2.30 -0.92 0.00 0.00 175.35 171.54 2i7k n PRO 85 N -3.60 0.59 -0.02 -1.68 -0.02 -1.26 -4.43 135.00 124.58 2i7k n PRO 85 Ca 0.14 -1.53 -0.00 0.00 -2.02 0.00 0.00 63.50 60.09 2i7k n PRO 85 Cb 0.60 -3.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.03 2i7k n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2i7k h GLU 86 N 9.78 0.00 0.00 -0.52 5.08 -1.99 -3.50 114.58 123.43 2i7k h GLU 86 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2i7k h GLU 86 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2i7k h GLU 86 CO 1.72 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.98 2i7k n THR 87 N -2.88 0.00 -0.32 1.13 -2.24 -1.26 -5.01 114.28 103.70 2i7k n THR 87 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2i7k n THR 87 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.58 0.11 -0.06 2.28 5.41 -1.26 -4.77 119.36 120.49 2i7k n ILE 88 Ca 0.00 -0.40 -0.12 0.00 1.00 0.00 0.00 62.75 63.24 2i7k n ILE 88 Cb 0.00 1.21 -0.06 0.00 -0.71 0.00 0.00 39.64 40.08 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 -0.37 1.39 -1.99 -1.95 0.17 116.97 114.58 2i7k h TYR 89 Ca 0.00 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 2i7k h TYR 89 Cb 0.24 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 2i7k h TYR 89 CO 0.00 0.55 0.14 -0.92 -0.00 0.00 0.00 178.16 177.93 2i7k h TYR 90 N 0.06 0.57 -0.37 4.88 3.20 -1.82 -2.18 116.97 121.32 2i7k h TYR 90 Ca 0.05 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 2i7k h TYR 90 Cb 0.42 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2i7k h TYR 90 CO 0.04 0.53 -0.24 0.87 -1.64 0.00 0.00 178.16 177.72 2i7k h LYS 91 N 0.44 0.74 -0.33 1.82 1.57 -1.85 -2.18 116.57 116.78 2i7k h LYS 91 Ca 0.12 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2i7k h LYS 91 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2i7k h LYS 91 CO -0.01 0.91 0.21 0.00 -0.57 0.00 0.00 179.45 179.99 2i7k h ALA 92 N 1.09 0.42 -0.50 3.86 0.00 -0.47 0.24 119.26 123.89 2i7k h ALA 92 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2i7k h ALA 92 Cb 0.75 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2i7k h ALA 92 CO 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 179.25 179.17 2i7k h ALA 93 N 1.10 0.68 -0.13 0.00 0.00 -1.34 -1.41 119.26 118.16 2i7k h ALA 93 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2i7k h ALA 93 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2i7k h ALA 93 CO -0.02 0.53 -0.01 -0.22 0.00 0.00 0.00 179.25 179.53 2i7k h LYS 94 N 0.78 0.23 -0.86 0.00 3.64 -1.18 -1.75 116.57 117.43 2i7k h LYS 94 Ca 0.14 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2i7k h LYS 94 Cb 0.57 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 2i7k h LYS 94 CO 0.03 0.48 0.49 -0.22 -2.27 0.00 0.00 179.45 177.96 2i7k h LYS 95 N -0.04 1.20 -0.27 1.90 3.64 -0.51 -2.50 116.57 119.98 2i7k h LYS 95 Ca 0.04 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2i7k h LYS 95 Cb 0.38 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2i7k h LYS 95 CO 0.01 0.87 0.10 -0.07 -2.27 0.00 0.00 179.45 178.09 2i7k h LEU 96 N 1.20 0.38 -0.65 5.20 -0.00 -1.19 -1.81 115.31 118.43 2i7k h LEU 96 Ca 0.31 -0.18 0.09 0.00 -0.00 0.00 0.00 57.88 58.10 2i7k h LEU 96 Cb 0.01 -0.10 -0.07 0.00 -0.00 0.00 0.00 40.66 40.50 2i7k h LEU 96 CO -0.05 0.45 0.28 0.25 -0.00 0.00 0.00 178.44 179.37 2i7k h LEU 97 N 0.28 0.32 -0.57 1.67 6.46 -1.06 0.13 115.31 122.55 2i7k h LEU 97 Ca 0.09 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 2i7k h LEU 97 Cb 0.20 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 2i7k h LEU 97 CO -0.01 0.18 0.20 0.45 -0.62 0.00 0.00 178.44 178.65 2i7k h HIS 98 N 0.49 0.89 -0.77 1.25 3.86 -1.27 -1.89 115.15 117.70 2i7k h HIS 98 Ca 0.33 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 2i7k h HIS 98 Cb 0.38 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 2i7k h HIS 98 CO -0.14 0.73 0.30 0.77 0.86 0.00 0.00 177.93 180.45 2i7k h SER 99 N 0.78 1.06 0.05 2.45 0.02 -0.40 -2.24 113.55 115.27 2i7k h SER 99 Ca 0.19 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2i7k h SER 99 Cb 0.24 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2i7k h SER 99 CO -0.01 0.95 -0.27 1.23 -1.14 0.00 0.00 176.83 177.59 2i7k h GLY 100 N 1.14 0.38 0.61 -3.77 0.00 -0.50 -2.00 103.07 98.93 2i7k h GLY 100 Ca 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 2i7k h GLY 100 CO -0.02 0.28 -0.05 -0.33 0.00 0.00 0.00 176.54 176.42 2i7k h MET 101 N 0.31 0.14 -0.23 4.80 2.86 -1.00 -1.32 114.93 120.49 2i7k h MET 101 Ca 0.05 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2i7k h MET 101 Cb 0.64 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 2i7k h MET 101 CO 0.05 0.58 0.13 1.57 1.06 0.00 0.00 176.91 180.30 2i7k h LYS 102 N -0.30 0.33 -0.62 1.72 2.10 -1.38 -2.53 116.57 115.89 2i7k h LYS 102 Ca 0.01 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.57 2i7k h LYS 102 Cb 0.56 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.79 2i7k h LYS 102 CO 0.01 0.30 0.17 -0.84 -2.00 0.00 0.00 179.45 177.09 2i7k h ILE 103 N 0.27 1.24 0.00 0.07 -0.00 -1.42 -2.47 117.51 115.20 2i7k h ILE 103 Ca 0.08 -0.85 -0.02 0.00 -0.00 0.00 0.00 64.86 64.07 2i7k h ILE 103 Cb 0.07 0.58 -0.00 0.00 -0.00 0.00 0.00 36.82 37.47 2i7k h ILE 103 CO -0.01 0.32 -0.10 -0.07 -0.00 0.00 0.00 178.15 178.29 2i7k h LEU 104 N 0.91 0.00 -1.91 0.16 3.38 -0.97 -2.11 115.31 114.78 2i7k h LEU 104 Ca 0.20 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2i7k h LEU 104 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2i7k h LEU 104 CO -0.00 0.10 0.12 0.28 0.09 0.00 0.00 178.44 179.02 2i7k h SER 105 N 0.00 0.11 0.41 -0.43 0.02 -1.02 -1.34 113.55 111.30 2i7k h SER 105 Ca -0.00 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 2i7k h SER 105 Cb 0.20 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2i7k h SER 105 CO 0.01 0.08 -0.51 1.56 -1.14 0.00 0.00 176.83 176.83 2i7k h GLN 106 N 0.13 0.12 -0.52 3.45 4.20 -1.47 0.12 115.11 121.13 2i7k h GLN 106 Ca 0.07 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.79 2i7k h GLN 106 Cb 0.13 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 2i7k h GLN 106 CO -0.01 0.60 0.19 0.93 -0.67 0.00 0.00 178.83 179.88 2i7k h GLU 107 N 0.09 0.36 0.00 1.46 4.39 -1.33 -3.34 114.58 116.21 2i7k h GLU 107 Ca 0.00 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 2i7k h GLU 107 Cb 0.94 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2i7k h GLU 107 CO 0.07 0.24 -1.19 0.54 -1.16 0.00 0.00 179.01 177.51 2i7k n ARG 108 N -5.00 0.52 -2.81 2.33 1.74 -1.21 -4.92 116.66 107.32 2i7k n ARG 108 Ca 0.06 0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 2i7k n ARG 108 Cb 0.21 -1.54 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 2i7k n ARG 108 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2i7k s LEU 109 N -7.91 4.20 -0.22 0.55 1.02 0.42 -5.03 118.68 111.70 2i7k s LEU 109 Ca -0.27 1.31 -0.08 0.00 0.02 0.00 0.00 54.13 55.11 2i7k s LEU 109 Cb 0.06 -3.36 0.10 0.00 0.02 0.00 0.00 46.19 43.01 2i7k s LEU 109 CO 0.40 -0.43 0.47 -0.70 0.02 0.00 0.00 176.35 176.12 2i7k s GLU 110 N 2.14 0.39 -0.53 1.70 2.12 -1.26 -3.79 118.70 119.47 2i7k s GLU 110 Ca 0.42 1.13 -0.11 0.00 0.36 0.00 0.00 54.97 56.77 2i7k s GLU 110 Cb -0.17 0.45 0.01 0.00 0.26 0.00 0.00 34.13 34.69 2i7k s GLU 110 CO 0.14 -0.24 0.63 0.72 -0.54 0.00 0.00 175.26 175.97 2i7k n HIS 111 N 5.37 -3.31 -4.51 5.30 8.25 -1.26 -5.06 115.22 120.00 2i7k n HIS 111 Ca -0.10 1.31 -0.25 0.00 -0.26 0.00 0.00 57.72 58.43 2i7k n HIS 111 Cb 0.50 -4.04 -0.10 0.00 1.12 0.00 0.00 29.99 27.46 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 -2.71 2.27 1.15 4.41 2.46 -1.26 -5.14 115.29 116.47 2i7k s HIS 112 Ca 0.17 -0.58 -0.13 0.00 0.47 0.00 0.00 55.06 55.00 2i7k s HIS 112 Cb -0.05 -1.32 0.28 0.00 -0.13 0.00 0.00 32.58 31.36 2i7k s HIS 112 CO 0.77 0.48 1.03 -1.01 -2.47 0.00 0.00 174.74 173.54 2i7k s HIS 113 N -2.75 1.45 0.26 3.88 3.76 -1.26 -4.86 115.29 115.77 2i7k s HIS 113 Ca 0.32 1.11 0.00 0.00 -0.15 0.00 0.00 55.06 56.34 2i7k s HIS 113 Cb 0.03 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2i7k s HIS 113 CO 0.15 -3.79 0.00 1.58 -0.85 0.00 0.00 174.74 171.83 2i7k n HIS 114 N -4.85 -1.86 -3.59 1.40 -0.00 -1.26 -4.82 115.22 100.23 2i7k n HIS 114 Ca 0.03 0.99 -0.38 0.00 -0.00 0.00 0.00 57.72 58.36 2i7k n HIS 114 Cb 0.55 -1.69 -0.11 0.00 -0.00 0.00 0.00 29.99 28.73 2i7k n HIS 114 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2i7k s HIS 115 N -2.86 3.21 -2.79 1.57 0.09 -1.26 -5.18 115.29 108.07 2i7k s HIS 115 Ca 0.00 -0.03 0.26 0.00 -0.00 0.00 0.00 55.06 55.28 2i7k s HIS 115 Cb 0.00 -2.39 0.55 0.00 -0.00 0.00 0.00 32.58 30.74 2i7k s HIS 115 CO 0.00 -0.24 1.47 1.58 -0.00 0.00 0.00 174.74 177.55