#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 1.97 -1.37 2.12 -0.58 -1.26 -4.14 120.64 117.38 2i7k n GLU 1 Ca 0.00 -2.51 -0.06 0.00 -0.42 0.00 0.00 57.16 54.17 2i7k n GLU 1 Cb 0.00 -3.49 -0.03 0.00 -0.57 0.00 0.00 31.44 27.35 2i7k n GLU 1 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2i7k n GLU 2 N 7.91 0.29 -0.04 3.49 -0.58 -1.26 -4.90 120.64 125.55 2i7k n GLU 2 Ca 0.47 -1.09 -0.06 0.00 -0.42 0.00 0.00 57.16 56.06 2i7k n GLU 2 Cb 0.45 0.46 -0.05 0.00 -0.57 0.00 0.00 31.44 31.73 2i7k n GLU 2 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2i7k n VAL 3 N -0.31 0.51 1.16 2.62 3.14 -1.26 -4.52 118.33 119.68 2i7k n VAL 3 Ca -0.25 -0.22 0.12 0.00 -2.96 0.00 0.00 64.34 61.03 2i7k n VAL 3 Cb 0.75 -0.82 0.23 0.00 -1.06 0.00 0.00 33.84 32.94 2i7k n VAL 3 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2i7k n GLU 4 N -2.64 1.20 0.01 1.45 2.13 -1.26 -4.09 120.64 117.44 2i7k n GLU 4 Ca -0.15 -0.86 -0.01 0.00 0.66 0.00 0.00 57.16 56.81 2i7k n GLU 4 Cb 0.69 -1.48 -0.10 0.00 0.27 0.00 0.00 31.44 30.82 2i7k n GLU 4 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2i7k n GLN 5 N -0.15 0.63 -0.23 5.31 3.00 -1.26 -4.25 117.38 120.43 2i7k n GLN 5 Ca 0.12 0.18 0.02 0.00 -0.01 0.00 0.00 57.00 57.31 2i7k n GLN 5 Cb 0.41 -1.76 0.14 0.00 0.00 0.00 0.00 30.24 29.03 2i7k n GLN 5 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2i7k h THR 6 N 0.00 0.72 -0.94 5.09 2.02 -1.80 -1.53 112.91 116.48 2i7k h THR 6 Ca -0.20 -0.14 0.25 0.00 0.77 0.00 0.00 66.41 67.10 2i7k h THR 6 Cb 1.63 0.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 2i7k h THR 6 CO 0.04 0.08 0.65 -0.65 0.37 0.00 0.00 175.52 176.01 2i7k h PRO 7 N 0.42 0.13 -0.92 6.66 0.11 -1.82 -0.69 132.00 135.89 2i7k h PRO 7 Ca 0.35 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.52 2i7k h PRO 7 Cb 0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.49 2i7k h PRO 7 CO -0.35 0.09 0.58 -0.07 -0.21 0.00 0.00 178.00 178.03 2i7k h LEU 8 N 0.13 0.91 -1.33 2.35 3.38 -1.52 -1.12 115.31 118.11 2i7k h LEU 8 Ca 0.47 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.51 2i7k h LEU 8 Cb 1.61 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 2i7k h LEU 8 CO -0.08 0.57 0.50 -0.61 0.09 0.00 0.00 178.44 178.91 2i7k h GLN 9 N 1.04 0.80 -0.29 1.13 4.15 -1.24 -1.16 115.11 119.54 2i7k h GLN 9 Ca 0.40 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.76 2i7k h GLN 9 Cb 0.19 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2i7k h GLN 9 CO -0.18 0.53 0.14 1.49 -1.93 0.00 0.00 178.83 178.88 2i7k h GLU 10 N 0.82 0.42 -0.54 1.69 4.57 -1.29 -2.37 114.58 117.88 2i7k h GLU 10 Ca 0.32 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 2i7k h GLU 10 Cb 0.21 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2i7k h GLU 10 CO -0.11 0.40 0.16 0.00 -1.18 0.00 0.00 179.01 178.28 2i7k h ALA 11 N 0.99 1.26 -0.36 2.92 0.00 -1.14 -2.57 119.26 120.37 2i7k h ALA 11 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2i7k h ALA 11 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2i7k h ALA 11 CO -0.01 0.52 0.20 -0.07 0.00 0.00 0.00 179.25 179.89 2i7k h LEU 12 N 0.79 0.45 -0.93 0.00 4.07 -0.90 -1.20 115.31 117.59 2i7k h LEU 12 Ca 0.18 -0.08 -0.10 0.00 0.08 0.00 0.00 57.88 57.96 2i7k h LEU 12 Cb 0.25 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2i7k h LEU 12 CO -0.01 0.40 -0.28 -0.55 -1.08 0.00 0.00 178.44 176.93 2i7k h ASN 13 N 0.46 0.46 -0.19 -0.43 7.08 -1.28 -0.27 115.58 121.42 2i7k h ASN 13 Ca 0.13 -0.16 -0.06 0.00 -3.08 0.00 0.00 56.30 53.12 2i7k h ASN 13 Cb 0.05 -0.13 -0.00 0.00 -2.08 0.00 0.00 38.32 36.16 2i7k h ASN 13 CO -0.02 0.73 -0.13 -0.61 -2.08 0.00 0.00 177.43 175.32 2i7k h GLN 14 N 0.40 0.42 -0.07 4.14 4.15 -1.22 -2.24 115.11 120.68 2i7k h GLN 14 Ca 0.06 -0.20 -0.13 0.00 0.77 0.00 0.00 58.65 59.15 2i7k h GLN 14 Cb 0.69 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2i7k h GLN 14 CO 0.05 0.74 -0.55 -0.07 -1.93 0.00 0.00 178.83 177.07 2i7k h LEU 15 N 0.09 0.24 -0.38 -2.39 3.38 -1.18 -2.58 115.31 112.49 2i7k h LEU 15 Ca 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2i7k h LEU 15 Cb 0.63 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2i7k h LEU 15 CO 0.03 0.74 0.14 0.24 0.09 0.00 0.00 178.44 179.68 2i7k h MET 16 N 0.17 0.58 -0.61 1.13 2.86 -0.99 0.28 114.93 118.34 2i7k h MET 16 Ca 0.00 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 2i7k h MET 16 Cb 1.02 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 2i7k h MET 16 CO 0.08 0.57 0.03 0.07 1.06 0.00 0.00 176.91 178.72 2i7k h ARG 17 N 0.47 1.04 -0.30 1.72 0.11 -1.36 -2.08 114.38 113.97 2i7k h ARG 17 Ca 0.12 -0.31 -0.05 0.00 0.10 0.00 0.00 59.98 59.85 2i7k h ARG 17 Cb 0.22 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 2i7k h ARG 17 CO -0.01 1.00 -0.01 1.96 0.10 0.00 0.00 179.97 183.01 2i7k h GLN 18 N 0.96 0.53 -0.41 0.08 4.20 -1.26 -1.84 115.11 117.36 2i7k h GLN 18 Ca 0.18 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2i7k h GLN 18 Cb 0.51 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2i7k h GLN 18 CO 0.02 0.69 0.24 -0.07 -0.67 0.00 0.00 178.83 179.04 2i7k h LEU 19 N 0.32 0.39 -1.00 1.46 3.38 -0.84 -2.44 115.31 116.58 2i7k h LEU 19 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2i7k h LEU 19 Cb 0.45 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2i7k h LEU 19 CO 0.02 0.28 0.25 1.56 0.09 0.00 0.00 178.44 180.64 2i7k h GLN 20 N 0.49 0.97 0.00 1.13 4.20 -1.32 -2.21 115.11 118.38 2i7k h GLN 20 Ca 0.17 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2i7k h GLN 20 Cb 0.01 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2i7k h GLN 20 CO -0.08 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 178.88 2i7k h ARG 21 N 0.95 0.00 0.00 1.46 2.47 -0.86 -3.32 114.38 115.08 2i7k h ARG 21 Ca 0.22 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 2i7k h ARG 21 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2i7k h ARG 21 CO -0.02 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.14 2i7k n LYS 22 N -2.56 0.00 0.00 0.04 4.76 -0.83 -4.98 118.16 114.58 2i7k n LYS 22 Ca 0.00 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2i7k n LYS 22 Cb 0.18 -1.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.76 0.00 0.08 4.39 8.00 -1.25 -4.98 116.55 121.03 2i7k n ASP 23 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 2i7k n ASP 23 Cb 0.00 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 41.69 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 0.18 0.00 -0.24 0.11 -1.89 -1.08 132.00 129.08 2i7k h PRO 24 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 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 0.12 0.00 0.77 -0.21 0.00 0.00 178.00 178.68 2i7k h SER 25 N 0.18 0.00 -0.68 -2.05 0.02 -1.81 -2.83 113.55 106.39 2i7k h SER 25 Ca 0.15 0.00 0.18 0.00 -0.84 0.00 0.00 61.79 61.28 2i7k h SER 25 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2i7k h SER 25 CO -0.02 0.00 0.48 0.00 -1.14 0.00 0.00 176.83 176.14 2i7k h ALA 26 N 2.03 2.52 0.02 3.77 0.00 -1.42 0.80 119.26 126.98 2i7k h ALA 26 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2i7k h ALA 26 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2i7k h ALA 26 CO 0.00 -0.71 -1.66 0.74 0.00 0.00 0.00 179.25 177.62 2i7k h PHE 27 N 0.08 0.09 -0.53 0.00 0.04 -1.72 -3.35 116.94 111.56 2i7k h PHE 27 Ca 0.32 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.95 2i7k h PHE 27 Cb 1.18 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.28 2i7k h PHE 27 CO -0.00 1.13 0.08 1.19 -0.60 0.00 0.00 178.31 180.10 2i7k n PHE 28 N -3.16 1.84 1.29 -0.55 3.72 -0.37 -4.40 117.46 115.83 2i7k n PHE 28 Ca -0.17 -0.96 0.14 0.00 -0.05 0.00 0.00 57.45 56.41 2i7k n PHE 28 Cb 1.04 -0.51 0.56 0.00 -0.94 0.00 0.00 39.48 39.63 2i7k n PHE 28 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2i7k n SER 29 N -0.02 0.42 -4.21 4.37 2.88 0.26 -2.01 113.62 115.32 2i7k n SER 29 Ca 0.30 -0.38 -0.12 0.00 -1.33 0.00 0.00 58.87 57.34 2i7k n SER 29 Cb 1.17 -0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 64.44 2i7k n SER 29 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2i7k s PHE 30 N -2.62 1.05 0.08 0.66 0.40 -1.26 -3.49 117.98 112.80 2i7k s PHE 30 Ca 0.24 -0.96 -0.31 0.00 -0.60 0.00 0.00 56.93 55.30 2i7k s PHE 30 Cb 0.20 -0.60 -0.10 0.00 0.51 0.00 0.00 43.02 43.03 2i7k s PHE 30 CO 0.51 -0.18 1.90 -0.35 0.70 0.00 0.00 175.22 177.81 2i7k n PRO 31 N -0.14 2.82 -1.64 0.24 -0.04 -1.26 -4.79 135.00 130.19 2i7k n PRO 31 Ca -0.09 1.03 -0.50 0.00 -0.04 0.00 0.00 63.50 63.90 2i7k n PRO 31 Cb 0.62 -2.95 -0.05 0.00 -0.04 0.00 0.00 33.50 31.08 2i7k n PRO 31 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2i7k n VAL 32 N 5.07 0.10 -3.45 0.52 0.24 -1.26 -4.97 118.33 114.58 2i7k n VAL 32 Ca 0.19 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 2i7k n VAL 32 Cb 0.39 -1.26 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 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 3.38 0.00 1.51 3.34 -1.04 -1.26 -4.86 114.28 115.35 2i7k n THR 33 Ca 0.19 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.34 2i7k n THR 33 Cb 0.23 0.00 0.75 0.00 -1.82 0.00 0.00 70.33 69.49 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 -0.46 0.00 -0.03 8.00 -0.08 -1.26 -1.62 116.55 121.10 2i7k n ASP 34 Ca 0.00 -0.52 -0.05 0.00 -1.51 0.00 0.00 54.79 52.72 2i7k n ASP 34 Cb 0.00 -0.13 -0.02 0.00 2.34 0.00 0.00 41.12 43.31 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 -1.13 0.00 0.08 -0.67 -0.00 -1.26 -4.69 117.46 109.79 2i7k n PHE 35 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.59 2i7k n PHE 35 Cb 0.15 -0.19 0.19 0.00 -0.00 0.00 0.00 39.48 39.63 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 -0.11 1.32 -4.13 -2.13 2.04 -1.94 -3.44 117.51 109.12 2i7k h ILE 36 Ca -0.12 -1.59 -0.67 0.00 1.00 0.00 0.00 64.86 63.48 2i7k h ILE 36 Cb 1.14 1.71 -0.25 0.00 -0.74 0.00 0.00 36.82 38.68 2i7k h ILE 36 CO -0.06 0.48 -0.87 0.00 0.00 0.00 0.00 178.15 177.70 2i7k s ALA 37 N -4.11 2.19 -2.03 1.87 0.00 -0.64 -4.83 121.76 114.21 2i7k s ALA 37 Ca -0.05 -1.30 0.17 0.00 0.00 0.00 0.00 51.96 50.78 2i7k s ALA 37 Cb 0.13 -0.41 0.97 0.00 0.00 0.00 0.00 23.12 23.82 2i7k s ALA 37 CO 0.78 0.50 1.64 -0.35 0.00 0.00 0.00 175.76 178.33 2i7k n PRO 38 N 1.46 1.09 0.00 0.00 -0.05 -1.26 -4.35 135.00 131.89 2i7k n PRO 38 Ca -0.17 -0.14 0.00 0.00 -0.05 0.00 0.00 63.50 63.13 2i7k n PRO 38 Cb 0.53 -1.28 0.00 0.00 -0.05 0.00 0.00 33.50 32.70 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 0.81 0.12 0.21 0.55 0.00 -1.26 -5.04 105.19 100.58 2i7k n GLY 39 Ca 0.13 0.00 -0.03 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 -1.87 -0.51 116.97 114.60 2i7k h TYR 40 Ca 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 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 0.14 -0.05 0.66 -0.00 0.00 0.00 178.16 178.91 2i7k h SER 41 N 0.41 0.00 0.00 3.88 4.64 -1.90 1.02 113.55 121.60 2i7k h SER 41 Ca 0.25 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 2i7k h SER 41 Cb 0.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2i7k h SER 41 CO -0.24 0.05 -0.39 -0.03 -0.87 0.00 0.00 176.83 175.35 2i7k h MET 42 N 0.00 0.27 0.00 4.77 1.85 -1.52 -3.41 114.93 116.89 2i7k h MET 42 Ca -0.00 -0.29 -0.37 0.00 -0.61 0.00 0.00 59.70 58.43 2i7k h MET 42 Cb 0.11 0.08 -0.06 0.00 0.43 0.00 0.00 31.60 32.16 2i7k h MET 42 CO 0.01 1.00 -2.30 1.51 -0.40 0.00 0.00 176.91 176.73 2i7k n ILE 43 N -4.39 1.29 -3.15 1.77 3.06 -0.87 -4.82 119.36 112.25 2i7k n ILE 43 Ca -0.10 -0.40 -0.46 0.00 -2.50 0.00 0.00 62.75 59.29 2i7k n ILE 43 Cb 0.58 -1.58 -0.03 0.00 0.54 0.00 0.00 39.64 39.15 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2i7k s ILE 44 N -2.44 5.19 0.16 9.51 -1.09 0.35 -4.92 121.20 127.96 2i7k s ILE 44 Ca -0.32 -1.96 -0.19 0.00 -2.23 0.00 0.00 60.65 55.95 2i7k s ILE 44 Cb 0.10 -4.59 0.07 0.00 -1.58 0.00 0.00 42.46 36.46 2i7k s ILE 44 CO 0.46 -1.22 1.66 0.11 -1.23 0.00 0.00 174.94 174.71 2i7k h LYS 45 N 8.35 -0.09 -3.29 2.79 1.57 -1.79 -3.34 116.57 120.77 2i7k h LYS 45 Ca 0.08 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.23 2i7k h LYS 45 Cb 1.04 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.96 2i7k h LYS 45 CO 0.93 -0.06 -0.59 -1.58 -0.57 0.00 0.00 179.45 177.59 2i7k s HIS 46 N -6.17 3.34 0.05 -1.35 2.46 -1.26 -4.91 115.29 107.44 2i7k s HIS 46 Ca -0.14 -3.21 -0.16 0.00 0.47 0.00 0.00 55.06 52.02 2i7k s HIS 46 Cb 0.13 -2.81 -0.24 0.00 -0.13 0.00 0.00 32.58 29.53 2i7k s HIS 46 CO 0.70 -0.68 1.14 -1.35 -2.47 0.00 0.00 174.74 172.08 2i7k h PRO 47 N 6.15 0.59 -5.49 2.88 0.11 -1.91 -3.44 132.00 130.88 2i7k h PRO 47 Ca 0.00 -0.65 -0.06 0.00 0.11 0.00 0.00 66.00 65.40 2i7k h PRO 47 Cb 0.85 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2i7k h PRO 47 CO 0.70 1.25 -0.54 -1.33 -0.21 0.00 0.00 178.00 177.87 2i7k n MET 48 N -3.99 -2.18 -1.14 1.05 2.81 -1.26 -2.51 117.12 109.90 2i7k n MET 48 Ca -0.11 1.93 -0.29 0.00 -1.81 0.00 0.00 57.70 57.41 2i7k n MET 48 Cb 0.81 -5.15 0.16 0.00 -0.71 0.00 0.00 33.22 28.34 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 -2.52 2.98 0.52 7.83 1.11 -1.26 -4.46 116.67 120.88 2i7k s ASP 49 Ca 0.23 1.40 0.17 0.00 0.18 0.00 0.00 52.55 54.53 2i7k s ASP 49 Cb -0.06 -2.07 1.30 0.00 1.07 0.00 0.00 42.92 43.17 2i7k s ASP 49 CO 0.78 -2.94 2.15 -0.26 1.18 0.00 0.00 175.17 176.09 2i7k h PHE 50 N -1.75 0.00 -0.23 4.23 0.04 -1.70 -1.91 116.94 115.62 2i7k h PHE 50 Ca -0.52 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.09 2i7k h PHE 50 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 2i7k h PHE 50 CO 0.37 0.00 -0.47 1.03 -0.60 0.00 0.00 178.31 178.64 2i7k h SER 51 N 0.00 0.81 -0.30 2.17 0.87 -1.72 -1.89 113.55 113.50 2i7k h SER 51 Ca 0.01 -0.55 -0.04 0.00 -1.23 0.00 0.00 61.79 59.98 2i7k h SER 51 Cb 0.04 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2i7k h SER 51 CO -0.00 1.21 0.01 0.74 -0.53 0.00 0.00 176.83 178.26 2i7k h THR 52 N 0.45 1.25 -0.44 2.23 2.02 -1.73 -2.29 112.91 114.40 2i7k h THR 52 Ca 0.01 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.22 2i7k h THR 52 Cb 1.08 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 2i7k h THR 52 CO 0.10 0.29 0.00 0.00 0.37 0.00 0.00 175.52 176.29 2i7k h MET 53 N 0.31 0.78 -0.56 6.66 3.00 -1.43 -2.36 114.93 121.34 2i7k h MET 53 Ca 0.09 -0.25 0.02 0.00 0.00 0.00 0.00 59.70 59.56 2i7k h MET 53 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 31.60 31.90 2i7k h MET 53 CO 0.01 0.84 0.36 -0.22 0.00 0.00 0.00 176.91 177.90 2i7k h LYS 54 N 0.62 0.70 -0.66 -0.10 3.11 -1.31 0.05 116.57 118.99 2i7k h LYS 54 Ca 0.13 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.89 2i7k h LYS 54 Cb 0.49 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.53 2i7k h LYS 54 CO 0.02 0.46 0.26 1.49 -2.81 0.00 0.00 179.45 178.87 2i7k h GLU 55 N 0.72 0.96 -0.30 1.90 4.81 -1.34 -2.54 114.58 118.78 2i7k h GLU 55 Ca 0.22 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2i7k h GLU 55 Cb -0.03 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2i7k h GLU 55 CO -0.07 0.78 -0.13 0.87 -0.73 0.00 0.00 179.01 179.73 2i7k h LYS 56 N 0.94 0.62 -1.00 1.92 1.57 -0.84 -3.11 116.57 116.67 2i7k h LYS 56 Ca 0.22 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2i7k h LYS 56 Cb 0.18 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2i7k h LYS 56 CO -0.02 0.84 0.66 0.82 -0.57 0.00 0.00 179.45 181.18 2i7k h ILE 57 N 0.38 1.16 -0.03 1.86 2.04 -0.77 0.69 117.51 122.84 2i7k h ILE 57 Ca 0.07 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2i7k h ILE 57 Cb 0.64 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2i7k h ILE 57 CO 0.04 0.23 0.05 0.50 0.00 0.00 0.00 178.15 178.97 2i7k h LYS 58 N 1.26 0.00 -0.48 2.37 3.11 -1.39 0.05 116.57 121.49 2i7k h LYS 58 Ca 0.41 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.24 2i7k h LYS 58 Cb 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2i7k h LYS 58 CO -0.13 0.00 0.00 0.09 -2.81 0.00 0.00 179.45 176.60 2i7k n ASN 59 N -3.60 5.13 -1.30 4.20 3.02 -0.27 -4.92 115.26 117.52 2i7k n ASN 59 Ca -0.02 -2.97 -0.17 0.00 -0.03 0.00 0.00 54.58 51.39 2i7k n ASN 59 Cb 0.13 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.59 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 0.23 -5.02 0.05 6.41 2.85 0.00 -4.87 115.26 114.92 2i7k n ASN 60 Ca 0.26 0.40 -0.07 0.00 -0.11 0.00 0.00 54.58 55.06 2i7k n ASN 60 Cb 1.11 -4.00 0.10 0.00 1.24 0.00 0.00 39.78 38.23 2i7k n ASN 60 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2i7k h ASP 61 N 0.00 0.42 -3.77 1.20 3.32 -1.10 -3.40 116.42 113.10 2i7k h ASP 61 Ca -0.34 -0.23 -0.65 0.00 0.02 0.00 0.00 57.03 55.82 2i7k h ASP 61 Cb 1.10 -0.12 -0.38 0.00 0.22 0.00 0.00 39.33 40.15 2i7k h ASP 61 CO 0.50 0.90 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.83 2i7k s TYR 62 N -3.89 3.10 0.00 4.55 2.02 -1.25 -4.89 117.35 116.99 2i7k s TYR 62 Ca -0.05 -2.29 0.00 0.00 -0.37 0.00 0.00 57.07 54.36 2i7k s TYR 62 Cb 0.12 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.67 2i7k s TYR 62 CO 0.81 -0.87 0.84 0.94 -1.57 0.00 0.00 175.55 175.71 2i7k n GLN 63 N 4.47 0.00 -4.75 -0.62 7.27 -1.26 -4.68 117.38 117.80 2i7k n GLN 63 Ca -0.10 -0.76 -0.26 0.00 0.07 0.00 0.00 57.00 55.94 2i7k n GLN 63 Cb 0.42 -0.41 -0.17 0.00 2.41 0.00 0.00 30.24 32.50 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2i7k s SER 64 N -0.71 2.09 0.33 1.69 0.01 -1.26 -4.81 113.70 111.04 2i7k s SER 64 Ca 0.00 -0.36 0.07 0.00 1.31 0.00 0.00 55.95 56.98 2i7k s SER 64 Cb 0.00 -0.87 0.77 0.00 0.21 0.00 0.00 66.02 66.12 2i7k s SER 64 CO 0.00 0.08 1.83 0.16 0.41 0.00 0.00 173.24 175.73 2i7k h ILE 65 N 5.75 0.80 -0.31 1.44 3.07 -1.98 0.29 117.51 126.57 2i7k h ILE 65 Ca -0.29 -0.26 -0.15 0.00 1.55 0.00 0.00 64.86 65.71 2i7k h ILE 65 Cb 1.19 -0.02 -0.00 0.00 -0.27 0.00 0.00 36.82 37.73 2i7k h ILE 65 CO 0.47 0.14 -0.40 1.05 -1.05 0.00 0.00 178.15 178.36 2i7k h GLU 66 N 0.75 0.82 -0.09 0.16 4.11 -1.97 0.59 114.58 118.95 2i7k h GLU 66 Ca 0.50 -0.47 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 2i7k h GLU 66 Cb 0.77 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2i7k h GLU 66 CO -0.26 1.10 -0.03 1.49 0.07 0.00 0.00 179.01 181.38 2i7k h GLU 67 N 0.59 0.18 -0.25 1.06 4.57 -1.55 -0.54 114.58 118.64 2i7k h GLU 67 Ca 0.04 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 2i7k h GLU 67 Cb 1.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2i7k h GLU 67 CO 0.10 0.52 -0.30 1.37 -1.18 0.00 0.00 179.01 179.52 2i7k h LEU 68 N -0.16 0.70 -0.60 1.64 8.10 -0.57 -2.64 115.31 121.78 2i7k h LEU 68 Ca 0.02 -0.49 -0.04 0.00 0.11 0.00 0.00 57.88 57.49 2i7k h LEU 68 Cb 0.45 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.45 2i7k h LEU 68 CO 0.01 1.05 0.23 0.50 -4.11 0.00 0.00 178.44 176.12 2i7k h LYS 69 N 0.36 0.91 -0.65 0.17 3.64 -0.92 -1.37 116.57 118.71 2i7k h LYS 69 Ca 0.03 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 2i7k h LYS 69 Cb 0.87 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2i7k h LYS 69 CO 0.07 0.78 0.42 -0.44 -2.27 0.00 0.00 179.45 178.01 2i7k h ASP 70 N 0.84 0.70 -0.09 4.20 3.32 -1.08 0.26 116.42 124.57 2i7k h ASP 70 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2i7k h ASP 70 Cb 0.22 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2i7k h ASP 70 CO -0.01 0.50 0.01 -1.13 -1.72 0.00 0.00 179.24 176.89 2i7k h ASN 71 N 0.83 0.14 -0.33 6.45 -0.00 -1.21 0.27 115.58 121.74 2i7k h ASN 71 Ca 0.25 -0.26 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 2i7k h ASN 71 Cb -0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 38.23 2i7k h ASN 71 CO -0.08 0.36 0.17 0.15 -0.00 0.00 0.00 177.43 178.03 2i7k h PHE 72 N -0.09 0.46 -0.37 0.67 3.57 -1.04 -2.45 116.94 117.69 2i7k h PHE 72 Ca 0.03 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2i7k h PHE 72 Cb 0.28 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2i7k h PHE 72 CO 0.02 0.39 -0.08 0.87 -2.23 0.00 0.00 178.31 177.27 2i7k h LYS 73 N 0.40 0.63 -0.41 1.11 6.56 -0.44 -2.47 116.57 121.96 2i7k h LYS 73 Ca 0.11 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2i7k h LYS 73 Cb 0.09 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 2i7k h LYS 73 CO -0.02 0.71 0.27 -0.07 -2.06 0.00 0.00 179.45 178.29 2i7k h LEU 74 N 0.59 0.48 -0.52 2.94 3.38 -0.10 0.24 115.31 122.31 2i7k h LEU 74 Ca 0.11 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2i7k h LEU 74 Cb 0.49 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2i7k h LEU 74 CO 0.03 0.35 -0.02 -0.03 0.09 0.00 0.00 178.44 178.86 2i7k h MET 75 N 0.56 0.92 -0.04 1.13 4.05 -1.15 0.40 114.93 120.80 2i7k h MET 75 Ca 0.15 -0.30 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 2i7k h MET 75 Cb -0.06 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 2i7k h MET 75 CO -0.03 0.96 0.01 0.00 0.23 0.00 0.00 176.91 178.07 2i7k h THR 77 N -0.14 1.27 -0.14 0.00 2.02 -0.49 -1.38 112.91 114.05 2i7k h THR 77 Ca 0.01 -1.25 -0.12 0.00 0.77 0.00 0.00 66.41 65.82 2i7k h THR 77 Cb 0.23 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2i7k h THR 77 CO 0.00 0.45 -0.45 0.78 0.37 0.00 0.00 175.52 176.66 2i7k h ASN 78 N 0.94 0.35 -0.19 4.18 2.35 -0.11 -1.49 115.58 121.62 2i7k h ASN 78 Ca 0.15 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.59 2i7k h ASN 78 Cb 0.66 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2i7k h ASN 78 CO 0.05 0.76 -0.45 0.00 -1.65 0.00 0.00 177.43 176.13 2i7k h ALA 79 N 1.26 0.30 -0.11 -0.83 0.00 -0.07 -2.57 119.26 117.24 2i7k h ALA 79 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 2i7k h ALA 79 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2i7k h ALA 79 CO 0.07 0.45 -0.53 0.00 0.00 0.00 0.00 179.25 179.24 2i7k h MET 80 N 0.31 0.32 -0.34 0.00 -0.00 -1.21 -2.19 114.93 111.82 2i7k h MET 80 Ca -0.00 -0.19 -0.10 0.00 -0.00 0.00 0.00 59.70 59.41 2i7k h MET 80 Cb 1.06 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.67 2i7k h MET 80 CO 0.10 0.77 -0.16 0.97 -0.00 0.00 0.00 176.91 178.59 2i7k h ILE 81 N 0.25 1.29 -0.76 -0.10 2.10 -1.29 -2.93 117.51 116.06 2i7k h ILE 81 Ca 0.01 -1.27 -0.39 0.00 1.08 0.00 0.00 64.86 64.29 2i7k h ILE 81 Cb 1.02 1.40 -0.23 0.00 -1.09 0.00 0.00 36.82 37.92 2i7k h ILE 81 CO 0.09 0.41 0.49 0.00 -1.08 0.00 0.00 178.15 178.06 2i7k n TYR 82 N -4.34 2.36 -3.03 2.19 9.36 -0.97 -4.66 117.16 118.07 2i7k n TYR 82 Ca -0.03 -1.50 0.03 0.00 3.32 0.00 0.00 57.90 59.72 2i7k n TYR 82 Cb 0.39 -0.78 -0.00 0.00 -0.63 0.00 0.00 39.34 38.33 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 -0.78 -0.89 0.92 2.98 2.47 -0.83 -4.94 114.94 113.87 2i7k s ASN 83 Ca 0.44 -0.26 -0.12 0.00 0.42 0.00 0.00 52.86 53.34 2i7k s ASN 83 Cb 0.37 1.27 0.14 0.00 -1.45 0.00 0.00 41.25 41.59 2i7k s ASN 83 CO 0.09 -0.12 1.12 -0.54 -3.72 0.00 0.00 177.10 173.93 2i7k s LYS 84 N 2.25 1.08 -0.58 0.43 -0.14 -1.25 -4.46 119.74 117.06 2i7k s LYS 84 Ca 0.17 0.37 -0.28 0.00 -1.36 0.00 0.00 55.97 54.87 2i7k s LYS 84 Cb -0.02 -1.82 -0.29 0.00 -1.68 0.00 0.00 37.83 34.01 2i7k s LYS 84 CO -0.16 -2.26 1.86 -2.30 -0.76 0.00 0.00 175.35 171.74 2i7k n PRO 85 N -3.82 0.17 -0.05 -1.68 -0.02 -1.26 -4.44 135.00 123.90 2i7k n PRO 85 Ca 0.06 -1.42 -0.00 0.00 -2.02 0.00 0.00 63.50 60.12 2i7k n PRO 85 Cb 0.58 -3.24 -0.00 0.00 -0.02 0.00 0.00 33.50 30.83 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 10.68 0.00 0.00 -0.52 4.39 -1.98 -3.49 114.58 123.66 2i7k h GLU 86 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2i7k h GLU 86 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2i7k h GLU 86 CO 1.53 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 179.63 2i7k n THR 87 N -4.76 0.00 -0.46 1.13 -2.24 -1.26 -5.01 114.28 101.67 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 0.01 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2i7k n THR 87 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2i7k n ILE 88 N -0.74 0.14 -0.04 2.28 -0.00 -1.26 -4.76 119.36 114.98 2i7k n ILE 88 Ca 0.00 -0.34 -0.13 0.00 -0.00 0.00 0.00 62.75 62.28 2i7k n ILE 88 Cb 0.00 1.28 -0.08 0.00 -0.00 0.00 0.00 39.64 40.83 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 0.33 -0.14 4.28 0.05 -1.95 -0.95 116.97 118.59 2i7k h TYR 89 Ca 0.00 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2i7k h TYR 89 Cb 0.36 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2i7k h TYR 89 CO 0.00 0.73 0.03 -0.92 -1.05 0.00 0.00 178.16 176.95 2i7k h TYR 90 N -0.16 0.24 -0.83 4.88 5.03 -1.80 -2.45 116.97 121.88 2i7k h TYR 90 Ca 0.01 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 2i7k h TYR 90 Cb 0.69 -0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 2i7k h TYR 90 CO 0.10 0.40 0.51 0.87 -1.32 0.00 0.00 178.16 178.72 2i7k h LYS 91 N 0.01 1.12 -0.40 1.82 1.57 -1.86 -1.15 116.57 117.68 2i7k h LYS 91 Ca 0.04 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2i7k h LYS 91 Cb 0.28 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2i7k h LYS 91 CO 0.00 0.77 0.18 0.00 -0.57 0.00 0.00 179.45 179.84 2i7k h ALA 92 N 1.28 0.49 -0.30 3.86 0.00 -1.05 0.22 119.26 123.75 2i7k h ALA 92 Ca 0.30 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2i7k h ALA 92 Cb -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2i7k h ALA 92 CO -0.06 -0.19 0.05 0.00 0.00 0.00 0.00 179.25 179.05 2i7k h ALA 93 N 1.22 0.40 -0.19 0.00 0.00 -1.12 -1.14 119.26 118.43 2i7k h ALA 93 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2i7k h ALA 93 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2i7k h ALA 93 CO -0.14 0.10 0.10 0.87 0.00 0.00 0.00 179.25 180.18 2i7k h LYS 94 N 0.32 0.26 -0.49 0.00 1.79 -0.91 0.44 116.57 117.99 2i7k h LYS 94 Ca 0.09 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2i7k h LYS 94 Cb 0.35 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 2i7k h LYS 94 CO 0.01 0.27 0.29 0.87 -1.08 0.00 0.00 179.45 179.80 2i7k h LYS 95 N 0.19 0.67 -0.24 3.15 1.79 -0.55 -2.03 116.57 119.55 2i7k h LYS 95 Ca 0.07 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2i7k h LYS 95 Cb 0.08 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2i7k h LYS 95 CO -0.01 0.50 -0.15 1.25 -1.08 0.00 0.00 179.45 179.96 2i7k h LEU 96 N 0.65 0.39 -0.30 2.94 5.85 -1.05 -2.14 115.31 121.65 2i7k h LEU 96 Ca 0.17 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2i7k h LEU 96 Cb 0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2i7k h LEU 96 CO -0.03 0.57 0.07 0.25 -0.34 0.00 0.00 178.44 178.95 2i7k h LEU 97 N 0.37 0.45 -0.45 2.25 6.46 -0.40 0.24 115.31 124.23 2i7k h LEU 97 Ca 0.07 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 2i7k h LEU 97 Cb 0.48 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2i7k h LEU 97 CO 0.03 0.57 0.12 0.45 -0.62 0.00 0.00 178.44 178.99 2i7k h HIS 98 N 0.32 0.76 -0.58 1.25 3.86 -1.22 -0.74 115.15 118.80 2i7k h HIS 98 Ca 0.09 -0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2i7k h HIS 98 Cb 0.29 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 2i7k h HIS 98 CO 0.01 0.69 -0.04 1.03 0.86 0.00 0.00 177.93 180.48 2i7k h SER 99 N 0.60 1.03 0.18 2.45 0.87 -1.30 -2.52 113.55 114.86 2i7k h SER 99 Ca 0.14 -0.31 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 2i7k h SER 99 Cb 0.31 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2i7k h SER 99 CO 0.00 1.10 -0.35 1.23 -0.53 0.00 0.00 176.83 178.28 2i7k h GLY 100 N 0.97 0.26 0.70 5.77 0.00 -0.33 -2.49 103.07 107.96 2i7k h GLY 100 Ca 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2i7k h GLY 100 CO 0.04 0.21 -0.11 -0.33 0.00 0.00 0.00 176.54 176.34 2i7k h MET 101 N 0.21 0.29 -0.81 4.80 2.86 -0.94 -1.62 114.93 119.71 2i7k h MET 101 Ca 0.03 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2i7k h MET 101 Cb 0.72 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 2i7k h MET 101 CO 0.05 0.69 0.36 1.57 1.06 0.00 0.00 176.91 180.64 2i7k h LYS 102 N -0.10 1.19 -0.29 1.72 2.10 -1.42 -2.34 116.57 117.42 2i7k h LYS 102 Ca 0.02 -0.19 -0.18 0.00 -2.00 0.00 0.00 60.65 58.30 2i7k h LYS 102 Cb 0.63 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2i7k h LYS 102 CO 0.03 0.93 -0.54 -0.84 -2.00 0.00 0.00 179.45 177.03 2i7k h ILE 103 N 1.17 1.27 0.00 0.07 3.07 -1.47 -3.08 117.51 118.54 2i7k h ILE 103 Ca 0.28 -1.72 -0.00 0.00 1.55 0.00 0.00 64.86 64.96 2i7k h ILE 103 Cb 0.16 1.61 -0.00 0.00 -0.27 0.00 0.00 36.82 38.32 2i7k h ILE 103 CO -0.03 0.56 -0.01 0.25 -1.05 0.00 0.00 178.15 177.87 2i7k h LEU 104 N 0.67 0.00 -0.41 0.16 6.46 -1.11 0.21 115.31 121.29 2i7k h LEU 104 Ca 0.02 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.84 2i7k h LEU 104 Cb 1.15 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.99 2i7k h LEU 104 CO 0.12 0.01 -0.46 -1.28 -0.62 0.00 0.00 178.44 176.21 2i7k h SER 105 N 0.00 -1.54 0.00 1.25 0.87 -1.33 -3.38 113.55 109.42 2i7k h SER 105 Ca -0.00 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2i7k h SER 105 Cb 0.42 0.66 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2i7k h SER 105 CO 0.00 -0.38 -0.05 0.00 -0.53 0.00 0.00 176.83 175.87 2i7k n GLN 106 N -5.41 3.19 0.00 2.24 0.00 -1.23 -5.03 117.38 111.14 2i7k n GLN 106 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.99 2i7k n GLN 106 Cb 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 30.24 30.28 2i7k n GLN 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2i7k n GLU 107 N -0.12 0.00 0.00 2.61 0.00 0.72 -3.50 120.64 120.36 2i7k n GLU 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2i7k n GLU 107 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 31.44 31.43 2i7k n GLU 107 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2i7k n ARG 108 N 0.00 0.00 -0.58 5.31 0.00 -1.26 -4.90 116.66 115.22 2i7k n ARG 108 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 2i7k n ARG 108 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 32.46 32.64 2i7k n ARG 108 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2i7k n LEU 109 N -0.01 -1.92 -4.29 6.15 7.99 -1.23 -5.04 117.00 118.65 2i7k n LEU 109 Ca 0.00 -0.27 -0.20 0.00 -0.01 0.00 0.00 56.01 55.53 2i7k n LEU 109 Cb 0.00 -0.92 -0.11 0.00 -0.11 0.00 0.00 43.42 42.28 2i7k n LEU 109 CO 0.00 -3.26 -0.47 -1.61 -1.51 0.00 0.00 177.39 170.55 2i7k s GLU 110 N -3.63 1.17 -0.51 3.23 0.41 -1.26 -4.91 118.70 113.20 2i7k s GLU 110 Ca 0.53 -1.34 0.02 0.00 -0.41 0.00 0.00 54.97 53.76 2i7k s GLU 110 Cb -0.11 -1.13 0.58 0.00 -1.78 0.00 0.00 34.13 31.69 2i7k s GLU 110 CO 0.57 0.22 1.94 1.58 -0.49 0.00 0.00 175.26 179.09 2i7k n HIS 111 N 0.36 3.05 -3.20 1.61 -0.00 -1.26 -4.88 115.22 110.89 2i7k n HIS 111 Ca -0.14 -2.20 -0.45 0.00 0.46 0.00 0.00 57.72 55.38 2i7k n HIS 111 Cb 0.57 -1.10 -0.04 0.00 -0.12 0.00 0.00 29.99 29.30 2i7k n HIS 111 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2i7k s HIS 112 N -3.38 3.15 -0.13 1.57 3.76 -1.26 -4.88 115.29 114.12 2i7k s HIS 112 Ca 0.58 -1.17 0.16 0.00 -0.15 0.00 0.00 55.06 54.48 2i7k s HIS 112 Cb 0.48 -3.92 -0.06 0.00 1.11 0.00 0.00 32.58 30.18 2i7k s HIS 112 CO 0.07 -1.17 1.08 1.25 -0.85 0.00 0.00 174.74 175.11 2i7k h HIS 113 N 8.97 0.00 -1.66 1.40 2.76 -2.07 -3.42 115.15 121.12 2i7k h HIS 113 Ca -0.26 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.30 2i7k h HIS 113 Cb 1.09 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.93 2i7k h HIS 113 CO 0.81 0.55 1.23 -1.01 -1.30 0.00 0.00 177.93 178.22 2i7k s HIS 114 N -2.94 2.63 0.25 5.26 3.76 -1.26 -4.97 115.29 118.03 2i7k s HIS 114 Ca -0.00 -0.83 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 2i7k s HIS 114 Cb 0.08 -4.57 -0.05 0.00 1.11 0.00 0.00 32.58 29.14 2i7k s HIS 114 CO 0.79 -1.84 -0.01 -3.38 -0.85 0.00 0.00 174.74 169.44 2i7k s HIS 115 N 4.53 1.71 0.00 1.40 -0.00 -1.26 -5.25 115.29 116.42 2i7k s HIS 115 Ca 0.40 -0.87 0.00 0.00 -0.00 0.00 0.00 55.06 54.59 2i7k s HIS 115 Cb -0.03 -1.00 0.00 0.00 -0.00 0.00 0.00 32.58 31.55 2i7k s HIS 115 CO -0.05 0.05 0.00 1.58 -0.00 0.00 0.00 174.74 176.32