#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 -1.46 -4.37 0.03 1.02 -1.26 -4.99 120.64 109.61 2i7k n GLU 1 Ca 0.00 0.95 -0.29 0.00 -0.02 0.00 0.00 57.16 57.80 2i7k n GLU 1 Cb 0.00 -5.45 -0.12 0.00 -0.02 0.00 0.00 31.44 25.85 2i7k n GLU 1 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2i7k s GLU 2 N -4.68 1.51 -1.28 3.49 2.12 -1.26 -4.63 118.70 113.98 2i7k s GLU 2 Ca 0.00 -1.31 0.00 0.00 0.36 0.00 0.00 54.97 54.02 2i7k s GLU 2 Cb 0.00 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.43 2i7k s GLU 2 CO 0.00 0.46 0.00 0.28 -0.54 0.00 0.00 175.26 175.46 2i7k n VAL 3 N 0.84 0.00 0.29 3.70 0.31 -1.26 -4.84 118.33 117.37 2i7k n VAL 3 Ca -0.17 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.27 2i7k n VAL 3 Cb 0.53 -1.44 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 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 -1.81 0.47 -0.14 5.55 -0.58 -1.26 -4.22 120.64 118.64 2i7k n GLU 4 Ca -0.12 -0.03 -0.06 0.00 -0.42 0.00 0.00 57.16 56.53 2i7k n GLU 4 Cb 0.50 -1.63 0.11 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.52 3.49 -0.00 -1.91 -2.38 115.11 115.73 2i7k h GLN 5 Ca 0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.65 58.36 2i7k h GLN 5 Cb 0.87 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 28.27 2i7k h GLN 5 CO 0.00 0.90 -0.25 1.15 -0.00 0.00 0.00 178.83 180.63 2i7k h THR 6 N 0.82 0.34 -0.82 1.86 2.02 -1.99 -2.02 112.91 113.12 2i7k h THR 6 Ca 0.15 -0.40 0.11 0.00 0.77 0.00 0.00 66.41 67.04 2i7k h THR 6 Cb 0.51 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 2i7k h THR 6 CO 0.03 0.05 0.53 -0.65 0.37 0.00 0.00 175.52 175.85 2i7k h PRO 7 N -0.99 0.69 -0.29 6.66 0.11 -1.75 -1.35 132.00 135.08 2i7k h PRO 7 Ca -0.07 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.93 2i7k h PRO 7 Cb 0.62 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 2i7k h PRO 7 CO 0.12 0.46 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.21 2i7k h LEU 8 N 0.71 0.58 -0.93 2.35 3.38 -1.41 -2.27 115.31 117.73 2i7k h LEU 8 Ca 0.39 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2i7k h LEU 8 Cb 0.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2i7k h LEU 8 CO -0.16 0.83 -0.13 0.06 0.09 0.00 0.00 178.44 179.13 2i7k h GLN 9 N 0.33 0.64 -0.30 1.13 3.07 -0.77 -2.45 115.11 116.76 2i7k h GLN 9 Ca 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2i7k h GLN 9 Cb 0.58 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2i7k h GLN 9 CO 0.03 0.75 0.12 1.49 0.09 0.00 0.00 178.83 181.31 2i7k h GLU 10 N 0.58 0.45 -0.46 0.06 4.81 -1.19 -1.61 114.58 117.23 2i7k h GLU 10 Ca 0.10 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2i7k h GLU 10 Cb 0.56 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2i7k h GLU 10 CO 0.04 0.47 0.25 0.00 -0.73 0.00 0.00 179.01 179.04 2i7k h ALA 11 N 0.96 0.58 -0.93 2.92 0.00 -1.24 -0.93 119.26 120.62 2i7k h ALA 11 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2i7k h ALA 11 Cb 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2i7k h ALA 11 CO -0.01 -0.08 0.61 -0.07 0.00 0.00 0.00 179.25 179.70 2i7k h LEU 12 N 0.51 1.03 -0.72 0.00 3.38 -1.26 -1.36 115.31 116.88 2i7k h LEU 12 Ca 0.19 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2i7k h LEU 12 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2i7k h LEU 12 CO -0.11 0.73 0.18 0.78 0.09 0.00 0.00 178.44 180.11 2i7k h ASN 13 N 1.21 1.09 -0.65 -0.43 4.21 -0.61 0.81 115.58 121.21 2i7k h ASN 13 Ca 0.35 -0.23 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 2i7k h ASN 13 Cb -0.07 -0.29 -0.03 0.00 -1.12 0.00 0.00 38.32 36.82 2i7k h ASN 13 CO -0.10 1.04 0.14 1.56 -1.29 0.00 0.00 177.43 178.78 2i7k h GLN 14 N 1.09 1.05 -0.23 0.81 4.20 -0.58 -0.60 115.11 120.86 2i7k h GLN 14 Ca 0.23 -0.26 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 2i7k h GLN 14 Cb 0.37 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2i7k h GLN 14 CO 0.00 0.95 -0.55 -0.07 -0.67 0.00 0.00 178.83 178.50 2i7k h LEU 15 N 0.97 0.76 -0.22 1.46 3.38 -1.03 -2.45 115.31 118.17 2i7k h LEU 15 Ca 0.20 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2i7k h LEU 15 Cb 0.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2i7k h LEU 15 CO 0.01 1.15 0.04 -0.03 0.09 0.00 0.00 178.44 179.70 2i7k h MET 16 N 0.52 0.37 -0.53 1.13 4.05 -0.61 -2.17 114.93 117.68 2i7k h MET 16 Ca 0.01 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 2i7k h MET 16 Cb 1.12 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.85 2i7k h MET 16 CO 0.11 0.51 0.14 0.07 0.23 0.00 0.00 176.91 177.97 2i7k h ARG 17 N 0.17 0.81 -0.69 0.39 0.11 -1.14 -1.72 114.38 112.32 2i7k h ARG 17 Ca 0.07 -0.16 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 2i7k h ARG 17 Cb 0.32 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 2i7k h ARG 17 CO 0.00 0.72 0.32 0.37 0.10 0.00 0.00 179.97 181.49 2i7k h GLN 18 N 0.78 1.00 -0.58 0.08 4.15 -1.28 -1.71 115.11 117.54 2i7k h GLN 18 Ca 0.18 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 2i7k h GLN 18 Cb 0.27 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2i7k h GLN 18 CO -0.00 0.80 0.15 -0.07 -1.93 0.00 0.00 178.83 177.77 2i7k h LEU 19 N 0.96 0.88 -0.96 -2.39 3.38 -0.96 -2.85 115.31 113.38 2i7k h LEU 19 Ca 0.24 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2i7k h LEU 19 Cb 0.14 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2i7k h LEU 19 CO -0.03 0.88 0.63 -0.61 0.09 0.00 0.00 178.44 179.40 2i7k h GLN 20 N 0.84 1.27 0.00 1.13 -0.00 -0.94 -1.57 115.11 115.84 2i7k h GLN 20 Ca 0.18 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2i7k h GLN 20 Cb 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 27.48 27.53 2i7k h GLN 20 CO 0.00 0.85 0.00 0.00 0.00 0.00 0.00 178.83 179.68 2i7k h ARG 21 N 1.31 0.00 0.00 1.69 3.08 -1.10 -3.34 114.38 116.02 2i7k h ARG 21 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2i7k h ARG 21 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2i7k h ARG 21 CO -0.07 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 180.00 2i7k n LYS 22 N -2.60 0.00 0.00 0.04 4.81 -0.59 -4.98 118.16 114.84 2i7k n LYS 22 Ca 0.01 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 2i7k n LYS 22 Cb 0.23 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 33.94 2i7k n LYS 22 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2i7k n ASP 23 N -2.00 0.00 0.27 3.14 9.92 -1.25 -4.96 116.55 121.67 2i7k n ASP 23 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 2i7k n ASP 23 Cb 0.00 0.00 0.78 0.00 -0.64 0.00 0.00 41.12 41.26 2i7k n ASP 23 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2i7k h PRO 24 N 0.00 0.00 0.00 -0.24 0.13 -1.89 -2.48 132.00 127.52 2i7k h PRO 24 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2i7k h PRO 24 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2i7k h PRO 24 CO 0.00 0.08 -0.05 0.77 -0.23 0.00 0.00 178.00 178.58 2i7k h SER 25 N 0.00 0.00 -0.64 1.44 0.02 -1.80 -2.62 113.55 109.94 2i7k h SER 25 Ca -0.00 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.14 2i7k h SER 25 Cb 0.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2i7k h SER 25 CO 0.01 0.05 0.50 0.00 -1.14 0.00 0.00 176.83 176.25 2i7k h ALA 26 N 1.95 2.54 -0.02 3.77 0.00 -1.64 0.15 119.26 126.01 2i7k h ALA 26 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2i7k h ALA 26 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2i7k h ALA 26 CO 0.01 -0.83 -0.09 0.74 0.00 0.00 0.00 179.25 179.07 2i7k h PHE 27 N 0.00 0.13 -0.95 0.00 0.04 -1.70 -3.29 116.94 111.17 2i7k h PHE 27 Ca 0.31 -0.06 -0.50 0.00 2.80 0.00 0.00 57.97 60.52 2i7k h PHE 27 Cb 1.31 -0.02 -0.29 0.00 2.20 0.00 0.00 35.95 39.14 2i7k h PHE 27 CO 0.00 0.73 0.61 1.19 -0.60 0.00 0.00 178.31 180.24 2i7k n PHE 28 N -4.68 2.93 0.23 -0.55 3.72 -0.66 -4.45 117.46 114.01 2i7k n PHE 28 Ca -0.09 -1.91 0.13 0.00 -0.05 0.00 0.00 57.45 55.53 2i7k n PHE 28 Cb 0.37 -0.95 0.25 0.00 -0.94 0.00 0.00 39.48 38.22 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 1.07 0.00 -4.14 4.37 0.87 -0.81 -2.49 113.55 112.42 2i7k h SER 29 Ca 0.60 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.63 2i7k h SER 29 Cb 2.64 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 64.39 2i7k h SER 29 CO 1.08 0.00 -0.81 0.72 -0.53 0.00 0.00 176.83 177.29 2i7k s PHE 30 N -3.28 1.72 -0.23 2.24 -0.12 -1.26 -2.64 117.98 114.41 2i7k s PHE 30 Ca 0.06 -0.43 -0.35 0.00 -0.05 0.00 0.00 56.93 56.16 2i7k s PHE 30 Cb 0.06 -0.93 -0.12 0.00 -0.63 0.00 0.00 43.02 41.40 2i7k s PHE 30 CO 0.65 0.20 1.99 -2.30 -0.05 0.00 0.00 175.22 175.72 2i7k n PRO 31 N 1.00 1.57 -0.61 1.99 -0.02 -1.26 -4.79 135.00 132.87 2i7k n PRO 31 Ca -0.19 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 2i7k n PRO 31 Cb 0.54 -2.52 0.20 0.00 -0.02 0.00 0.00 33.50 31.70 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 5.99 0.00 -3.07 -1.45 0.24 -1.26 -4.90 118.33 113.89 2i7k n VAL 32 Ca 0.31 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2i7k n VAL 32 Cb 0.25 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 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 -4.47 0.00 0.90 3.34 -2.24 -1.26 -4.85 114.28 105.69 2i7k n THR 33 Ca 0.07 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.94 2i7k n THR 33 Cb 0.54 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.64 0.00 0.00 3.42 -0.08 -1.26 -1.03 116.55 116.95 2i7k n ASP 34 Ca 0.00 -0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 2i7k n ASP 34 Cb 0.00 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.27 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 -1.19 0.00 0.03 -0.67 -0.00 -1.26 -4.76 117.46 109.62 2i7k n PHE 35 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.46 2i7k n PHE 35 Cb 0.11 0.01 0.07 0.00 -0.00 0.00 0.00 39.48 39.67 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 1.35 -2.77 -2.13 2.04 -1.90 -3.45 117.51 110.65 2i7k h ILE 36 Ca 0.00 -1.90 -0.59 0.00 1.00 0.00 0.00 64.86 63.37 2i7k h ILE 36 Cb 0.82 1.89 -0.09 0.00 -0.74 0.00 0.00 36.82 38.70 2i7k h ILE 36 CO 0.00 0.58 -0.61 0.00 0.00 0.00 0.00 178.15 178.12 2i7k s ALA 37 N -3.87 3.39 -2.00 1.87 0.00 -0.20 -4.74 121.76 116.22 2i7k s ALA 37 Ca -0.06 -1.30 0.23 0.00 0.00 0.00 0.00 51.96 50.83 2i7k s ALA 37 Cb 0.11 -1.18 1.36 0.00 0.00 0.00 0.00 23.12 23.41 2i7k s ALA 37 CO 0.83 0.49 1.76 -2.30 0.00 0.00 0.00 175.76 176.54 2i7k n PRO 38 N -0.25 0.79 0.00 0.00 -0.02 -1.26 -4.59 135.00 129.67 2i7k n PRO 38 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2i7k n PRO 38 Cb 0.55 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 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 0.55 0.00 0.30 -1.23 0.00 -1.26 -5.04 105.19 98.51 2i7k n GLY 39 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 0.67 0.00 1.61 -1.99 -1.82 -1.62 116.97 113.82 2i7k h TYR 40 Ca 0.00 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 2i7k h TYR 40 Cb 0.00 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.52 2i7k h TYR 40 CO 0.00 0.51 -0.03 0.77 -0.00 0.00 0.00 178.16 179.41 2i7k h SER 41 N 0.68 0.00 0.05 3.88 0.02 -1.87 1.21 113.55 117.52 2i7k h SER 41 Ca 0.17 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.86 2i7k h SER 41 Cb 0.10 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.67 2i7k h SER 41 CO -0.02 0.03 -1.05 0.24 -1.14 0.00 0.00 176.83 174.89 2i7k h MET 42 N 0.00 0.62 0.00 3.45 2.86 -1.71 -3.43 114.93 116.72 2i7k h MET 42 Ca -0.00 -0.74 -0.03 0.00 -2.06 0.00 0.00 59.70 56.88 2i7k h MET 42 Cb 0.08 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2i7k h MET 42 CO 0.00 1.32 -1.10 1.51 1.06 0.00 0.00 176.91 179.70 2i7k n ILE 43 N -3.90 0.10 -3.10 -1.22 3.06 -1.03 -4.91 119.36 108.36 2i7k n ILE 43 Ca -0.12 -0.04 -0.45 0.00 -2.50 0.00 0.00 62.75 59.64 2i7k n ILE 43 Cb 0.89 -0.62 -0.02 0.00 0.54 0.00 0.00 39.64 40.43 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 -2.03 5.15 0.04 9.51 -1.09 0.41 -4.93 121.20 128.26 2i7k s ILE 44 Ca -0.02 -2.07 -0.18 0.00 -2.23 0.00 0.00 60.65 56.14 2i7k s ILE 44 Cb 0.01 -4.66 -0.09 0.00 -1.58 0.00 0.00 42.46 36.14 2i7k s ILE 44 CO 0.04 -1.32 1.28 0.11 -1.23 0.00 0.00 174.94 173.82 2i7k h LYS 45 N 8.22 -0.51 -3.70 2.79 1.57 -1.83 -3.35 116.57 119.76 2i7k h LYS 45 Ca 0.15 0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 58.28 2i7k h LYS 45 Cb 1.01 0.12 -0.36 0.00 0.08 0.00 0.00 32.23 33.08 2i7k h LYS 45 CO 0.97 -0.34 -0.43 -1.01 -0.57 0.00 0.00 179.45 178.07 2i7k s HIS 46 N -4.43 3.41 -0.00 -1.35 3.76 -1.26 -4.90 115.29 110.52 2i7k s HIS 46 Ca -0.09 -2.75 -0.18 0.00 -0.15 0.00 0.00 55.06 51.89 2i7k s HIS 46 Cb 0.02 -3.14 -0.34 0.00 1.11 0.00 0.00 32.58 30.22 2i7k s HIS 46 CO 0.30 -0.85 0.95 -1.00 -0.85 0.00 0.00 174.74 173.30 2i7k h PRO 47 N 7.10 0.45 -5.60 8.40 0.13 -1.94 -3.44 132.00 137.10 2i7k h PRO 47 Ca -0.04 -0.77 -0.09 0.00 -0.87 0.00 0.00 66.00 64.22 2i7k h PRO 47 Cb 0.96 0.29 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2i7k h PRO 47 CO 0.70 1.37 -0.71 -1.33 -0.23 0.00 0.00 178.00 177.80 2i7k n MET 48 N -3.87 -2.30 -0.87 0.86 2.81 -1.26 -3.47 117.12 109.01 2i7k n MET 48 Ca -0.16 1.97 -0.29 0.00 -1.81 0.00 0.00 57.70 57.42 2i7k n MET 48 Cb 1.00 -4.71 0.22 0.00 -0.71 0.00 0.00 33.22 29.02 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 -2.25 1.51 0.44 7.83 1.11 -1.26 -4.68 116.67 119.37 2i7k s ASP 49 Ca 0.26 1.21 0.10 0.00 0.18 0.00 0.00 52.55 54.31 2i7k s ASP 49 Cb -0.06 -1.88 0.97 0.00 1.07 0.00 0.00 42.92 43.02 2i7k s ASP 49 CO 0.78 -3.83 2.07 -0.26 1.18 0.00 0.00 175.17 175.12 2i7k h PHE 50 N -2.37 0.34 -0.17 4.23 0.04 -1.67 -1.20 116.94 116.14 2i7k h PHE 50 Ca -0.57 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.02 2i7k h PHE 50 Cb 1.33 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 39.38 2i7k h PHE 50 CO -0.13 0.23 -0.61 1.03 -0.60 0.00 0.00 178.31 178.24 2i7k h SER 51 N 0.36 0.83 -0.29 2.17 0.87 -1.72 -0.88 113.55 114.89 2i7k h SER 51 Ca 0.10 -0.61 -0.04 0.00 -1.23 0.00 0.00 61.79 60.01 2i7k h SER 51 Cb -0.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2i7k h SER 51 CO -0.02 1.29 0.04 0.74 -0.53 0.00 0.00 176.83 178.35 2i7k h THR 52 N 0.41 1.24 -0.35 2.23 2.02 -1.74 -1.78 112.91 114.93 2i7k h THR 52 Ca -0.03 -0.83 -0.12 0.00 0.77 0.00 0.00 66.41 66.21 2i7k h THR 52 Cb 1.23 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2i7k h THR 52 CO 0.13 0.27 -0.24 0.00 0.37 0.00 0.00 175.52 176.04 2i7k h MET 53 N 0.30 0.79 -0.57 6.66 3.00 -1.30 -2.28 114.93 121.53 2i7k h MET 53 Ca 0.09 -0.38 0.02 0.00 0.00 0.00 0.00 59.70 59.43 2i7k h MET 53 Cb 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 31.60 31.92 2i7k h MET 53 CO 0.01 1.00 0.36 -0.22 0.00 0.00 0.00 176.91 178.06 2i7k h LYS 54 N 0.57 0.70 -0.42 -0.10 3.64 -1.11 0.13 116.57 119.99 2i7k h LYS 54 Ca 0.07 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2i7k h LYS 54 Cb 0.81 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2i7k h LYS 54 CO 0.07 0.46 -0.03 1.49 -2.27 0.00 0.00 179.45 179.17 2i7k h GLU 55 N 0.72 0.69 -0.37 1.90 4.22 -1.30 -2.58 114.58 117.85 2i7k h GLU 55 Ca 0.22 -0.18 -0.11 0.00 0.08 0.00 0.00 59.36 59.37 2i7k h GLU 55 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2i7k h GLU 55 CO -0.08 0.73 -0.20 0.87 -2.18 0.00 0.00 179.01 178.14 2i7k h LYS 56 N 0.64 0.80 -0.98 1.92 1.57 -0.76 -3.08 116.57 116.69 2i7k h LYS 56 Ca 0.13 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2i7k h LYS 56 Cb 0.45 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2i7k h LYS 56 CO 0.02 0.99 0.64 0.82 -0.57 0.00 0.00 179.45 181.35 2i7k h ILE 57 N 0.60 1.21 -0.02 1.86 2.04 -0.53 -0.31 117.51 122.35 2i7k h ILE 57 Ca 0.08 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2i7k h ILE 57 Cb 0.76 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2i7k h ILE 57 CO 0.06 0.23 0.02 0.50 0.00 0.00 0.00 178.15 178.96 2i7k h LYS 58 N 1.28 0.00 -0.70 2.37 3.64 -1.37 -0.04 116.57 121.74 2i7k h LYS 58 Ca 0.38 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.69 2i7k h LYS 58 Cb -0.07 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2i7k h LYS 58 CO -0.10 0.00 0.09 0.09 -2.27 0.00 0.00 179.45 177.25 2i7k n ASN 59 N -4.01 4.85 -1.65 4.20 3.02 -0.42 -4.89 115.26 116.37 2i7k n ASN 59 Ca -0.02 -2.89 -0.20 0.00 -0.03 0.00 0.00 54.58 51.44 2i7k n ASN 59 Cb 0.11 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.53 2i7k n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2i7k n ASN 60 N 0.31 -5.42 0.04 6.41 3.02 -0.03 -4.86 115.26 114.73 2i7k n ASN 60 Ca 0.28 0.39 -0.14 0.00 -0.03 0.00 0.00 54.58 55.08 2i7k n ASN 60 Cb 1.13 -4.62 -0.04 0.00 -0.61 0.00 0.00 39.78 35.65 2i7k n ASN 60 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2i7k h ASP 61 N 0.00 0.66 -3.78 6.41 1.82 -1.25 -3.41 116.42 116.86 2i7k h ASP 61 Ca -0.42 -0.47 -0.66 0.00 -0.39 0.00 0.00 57.03 55.09 2i7k h ASP 61 Cb 1.30 -0.20 -0.38 0.00 0.68 0.00 0.00 39.33 40.73 2i7k h ASP 61 CO 0.58 1.26 -0.78 -0.31 -1.61 0.00 0.00 179.24 178.38 2i7k s TYR 62 N -3.49 3.30 0.00 0.28 2.02 -1.25 -4.89 117.35 113.32 2i7k s TYR 62 Ca -0.07 -2.46 0.00 0.00 -0.37 0.00 0.00 57.07 54.17 2i7k s TYR 62 Cb 0.09 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 2i7k s TYR 62 CO 0.87 -0.89 0.85 0.00 -1.57 0.00 0.00 175.55 174.81 2i7k n GLN 63 N 4.41 0.00 -4.83 -0.62 10.64 -1.26 -4.66 117.38 121.05 2i7k n GLN 63 Ca -0.09 -0.84 -0.27 0.00 -1.83 0.00 0.00 57.00 53.97 2i7k n GLN 63 Cb 0.42 -0.49 -0.17 0.00 -0.86 0.00 0.00 30.24 29.14 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 -0.70 2.25 0.37 2.61 0.01 -1.26 -5.02 113.70 111.96 2i7k s SER 64 Ca 0.00 -0.39 0.11 0.00 1.31 0.00 0.00 55.95 56.98 2i7k s SER 64 Cb 0.00 -0.97 0.87 0.00 0.21 0.00 0.00 66.02 66.14 2i7k s SER 64 CO 0.00 0.09 1.86 0.16 0.41 0.00 0.00 173.24 175.76 2i7k h ILE 65 N 5.76 0.79 -0.36 1.44 3.07 -1.98 0.19 117.51 126.42 2i7k h ILE 65 Ca -0.28 -0.22 -0.15 0.00 1.55 0.00 0.00 64.86 65.76 2i7k h ILE 65 Cb 1.20 0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 37.85 2i7k h ILE 65 CO 0.47 0.12 -0.38 -0.33 -1.05 0.00 0.00 178.15 176.98 2i7k h GLU 66 N 0.63 0.89 -0.07 0.16 3.07 -1.97 0.28 114.58 117.57 2i7k h GLU 66 Ca 0.46 -0.48 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2i7k h GLU 66 Cb 0.84 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 2i7k h GLU 66 CO -0.22 1.12 -0.05 0.93 -1.40 0.00 0.00 179.01 179.40 2i7k h GLU 67 N 0.70 0.16 -0.39 2.33 4.39 -1.49 -0.64 114.58 119.63 2i7k h GLU 67 Ca 0.06 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 2i7k h GLU 67 Cb 0.97 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2i7k h GLU 67 CO 0.09 0.57 -0.30 1.37 -1.16 0.00 0.00 179.01 179.58 2i7k h LEU 68 N -0.25 0.94 -0.40 1.33 8.10 -0.77 -2.60 115.31 121.66 2i7k h LEU 68 Ca 0.01 -0.44 -0.09 0.00 0.11 0.00 0.00 57.88 57.47 2i7k h LEU 68 Cb 0.53 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 2i7k h LEU 68 CO 0.01 1.18 -0.11 0.50 -4.11 0.00 0.00 178.44 175.91 2i7k h LYS 69 N 0.70 0.79 -0.56 0.17 3.64 -0.99 -1.43 116.57 118.89 2i7k h LYS 69 Ca 0.07 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2i7k h LYS 69 Cb 0.88 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 2i7k h LYS 69 CO 0.08 0.92 0.36 -0.44 -2.27 0.00 0.00 179.45 178.11 2i7k h ASP 70 N 0.60 0.64 -0.05 4.20 5.19 -1.11 0.25 116.42 126.14 2i7k h ASP 70 Ca 0.10 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 2i7k h ASP 70 Cb 0.64 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 2i7k h ASP 70 CO 0.04 0.47 -0.02 0.78 -3.12 0.00 0.00 179.24 177.40 2i7k h ASN 71 N 0.75 0.11 -0.03 6.45 4.21 -1.41 -0.14 115.58 125.52 2i7k h ASN 71 Ca 0.20 -0.39 -0.00 0.00 1.21 0.00 0.00 56.30 57.33 2i7k h ASN 71 Cb -0.08 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.09 2i7k h ASN 71 CO -0.04 0.47 0.01 0.15 -1.29 0.00 0.00 177.43 176.73 2i7k h PHE 72 N -0.26 0.04 -0.50 1.19 3.57 -1.16 -2.56 116.94 117.27 2i7k h PHE 72 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2i7k h PHE 72 Cb 0.42 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2i7k h PHE 72 CO 0.06 0.15 0.20 -0.22 -2.23 0.00 0.00 178.31 176.26 2i7k h LYS 73 N -0.08 0.71 -0.48 1.11 3.64 -0.55 -2.52 116.57 118.40 2i7k h LYS 73 Ca 0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2i7k h LYS 73 Cb 0.12 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2i7k h LYS 73 CO -0.00 0.59 0.30 -0.07 -2.27 0.00 0.00 179.45 177.99 2i7k h LEU 74 N 0.71 0.56 -0.62 5.20 3.38 -0.75 -1.70 115.31 122.10 2i7k h LEU 74 Ca 0.17 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2i7k h LEU 74 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2i7k h LEU 74 CO -0.02 0.44 0.08 -0.03 0.09 0.00 0.00 178.44 179.00 2i7k h MET 75 N 0.64 1.04 -0.11 1.13 4.05 -1.17 0.38 114.93 120.89 2i7k h MET 75 Ca 0.17 -0.29 0.02 0.00 -0.28 0.00 0.00 59.70 59.32 2i7k h MET 75 Cb -0.03 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 2i7k h MET 75 CO -0.03 0.98 -0.00 0.00 0.23 0.00 0.00 176.91 178.08 2i7k h THR 77 N 0.03 1.31 -0.59 0.00 2.02 -1.22 -2.32 112.91 112.15 2i7k h THR 77 Ca 0.05 -1.81 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 2i7k h THR 77 Cb 0.06 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2i7k h THR 77 CO -0.09 0.57 0.35 0.78 0.37 0.00 0.00 175.52 177.50 2i7k h ASN 78 N 0.48 0.71 -0.32 4.18 2.35 0.12 0.19 115.58 123.29 2i7k h ASN 78 Ca 0.00 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 2i7k h ASN 78 Cb 1.13 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 2i7k h ASN 78 CO 0.11 0.56 -0.25 0.00 -1.65 0.00 0.00 177.43 176.20 2i7k h ALA 79 N 1.18 0.81 -0.31 -0.83 0.00 -0.46 -2.26 119.26 117.38 2i7k h ALA 79 Ca 0.21 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2i7k h ALA 79 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2i7k h ALA 79 CO -0.04 0.65 -0.44 0.52 0.00 0.00 0.00 179.25 179.94 2i7k h MET 80 N 0.70 0.79 -0.13 0.00 2.86 -1.02 -2.08 114.93 116.06 2i7k h MET 80 Ca 0.09 -0.44 -0.04 0.00 -2.06 0.00 0.00 59.70 57.25 2i7k h MET 80 Cb 0.79 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 2i7k h MET 80 CO 0.06 1.07 -0.09 0.97 1.06 0.00 0.00 176.91 179.99 2i7k h ILE 81 N 0.64 1.33 0.00 -1.22 6.09 -0.57 -3.04 117.51 120.74 2i7k h ILE 81 Ca 0.04 -1.18 -0.04 0.00 -1.37 0.00 0.00 64.86 62.31 2i7k h ILE 81 Cb 1.01 1.84 -0.01 0.00 0.47 0.00 0.00 36.82 40.13 2i7k h ILE 81 CO 0.10 0.34 -0.19 0.22 -3.07 0.00 0.00 178.15 175.55 2i7k h TYR 82 N -0.08 0.00 -0.91 2.19 3.20 -1.46 -3.44 116.97 116.48 2i7k h TYR 82 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2i7k h TYR 82 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2i7k h TYR 82 CO 0.08 0.19 0.00 -1.71 -1.64 0.00 0.00 178.16 175.07 2i7k n ASN 83 N -3.63 0.00 -3.78 -2.11 5.15 -0.78 -5.10 115.26 105.00 2i7k n ASN 83 Ca -0.01 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.01 2i7k n ASN 83 Cb 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 2i7k n ASN 83 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2i7k s LYS 84 N 3.79 0.07 -0.68 1.20 1.02 -1.25 -4.92 119.74 118.97 2i7k s LYS 84 Ca 0.00 -0.04 -0.25 0.00 0.02 0.00 0.00 55.97 55.70 2i7k s LYS 84 Cb 0.00 0.02 -0.22 0.00 -0.52 0.00 0.00 37.83 37.11 2i7k s LYS 84 CO 0.00 -0.03 1.86 -2.30 -0.92 0.00 0.00 175.35 173.96 2i7k n PRO 85 N -0.74 0.91 0.00 -1.68 -0.02 -1.26 -4.04 135.00 128.16 2i7k n PRO 85 Ca -0.02 -1.71 0.00 0.00 -2.02 0.00 0.00 63.50 59.75 2i7k n PRO 85 Cb 0.61 -3.10 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 2i7k n PRO 85 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2i7k n GLU 86 N 7.69 0.00 0.00 -0.52 1.02 -1.26 -5.03 120.64 122.55 2i7k n GLU 86 Ca 0.47 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2i7k n GLU 86 Cb 0.43 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 2i7k n GLU 86 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2i7k n THR 87 N -1.98 0.00 -0.02 2.62 -2.24 -1.26 -5.00 114.28 106.40 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 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.69 0.00 -0.08 2.28 5.41 -1.26 -4.68 119.36 120.34 2i7k n ILE 88 Ca 0.00 -0.47 -0.10 0.00 1.00 0.00 0.00 62.75 63.18 2i7k n ILE 88 Cb 0.00 1.02 -0.03 0.00 -0.71 0.00 0.00 39.64 39.92 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 -0.32 1.39 -1.99 -1.95 0.54 116.97 115.03 2i7k h TYR 89 Ca 0.00 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 2i7k h TYR 89 Cb 0.01 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 2i7k h TYR 89 CO 0.00 0.37 0.07 -0.92 -0.00 0.00 0.00 178.16 177.69 2i7k h TYR 90 N 0.29 0.55 -0.31 4.88 3.20 -1.85 -2.26 116.97 121.46 2i7k h TYR 90 Ca 0.09 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 2i7k h TYR 90 Cb 0.13 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2i7k h TYR 90 CO -0.02 0.58 -0.24 0.87 -1.64 0.00 0.00 178.16 177.71 2i7k h LYS 91 N 0.37 0.61 -0.36 1.82 1.57 -1.81 -1.72 116.57 117.05 2i7k h LYS 91 Ca 0.10 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2i7k h LYS 91 Cb 0.31 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2i7k h LYS 91 CO 0.00 0.80 0.18 0.00 -0.57 0.00 0.00 179.45 179.86 2i7k h ALA 92 N 1.20 0.46 -0.24 3.86 0.00 0.26 0.33 119.26 125.14 2i7k h ALA 92 Ca 0.08 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2i7k h ALA 92 Cb 0.70 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2i7k h ALA 92 CO 0.05 0.02 -0.26 0.00 0.00 0.00 0.00 179.25 179.06 2i7k h ALA 93 N 1.03 0.36 -0.10 0.00 0.00 -1.34 -2.01 119.26 117.21 2i7k h ALA 93 Ca 0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2i7k h ALA 93 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2i7k h ALA 93 CO -0.02 0.35 -0.05 -0.22 0.00 0.00 0.00 179.25 179.31 2i7k h LYS 94 N 0.31 0.21 -0.33 0.00 3.64 -1.24 -1.61 116.57 117.55 2i7k h LYS 94 Ca 0.04 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2i7k h LYS 94 Cb 0.83 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2i7k h LYS 94 CO 0.06 0.56 0.20 -0.22 -2.27 0.00 0.00 179.45 177.79 2i7k h LYS 95 N -0.16 0.44 -0.61 1.90 1.63 -0.43 -2.48 116.57 116.87 2i7k h LYS 95 Ca 0.02 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.75 2i7k h LYS 95 Cb 0.50 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 2i7k h LYS 95 CO 0.01 0.34 0.23 1.25 -3.45 0.00 0.00 179.45 177.83 2i7k h LEU 96 N 0.43 0.82 -0.52 5.20 5.85 -1.40 -2.38 115.31 123.31 2i7k h LEU 96 Ca 0.12 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2i7k h LEU 96 Cb 0.00 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2i7k h LEU 96 CO -0.02 0.74 0.29 0.25 -0.34 0.00 0.00 178.44 179.36 2i7k h LEU 97 N 0.88 0.45 -0.94 2.25 6.46 -0.88 -0.26 115.31 123.27 2i7k h LEU 97 Ca 0.21 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.93 2i7k h LEU 97 Cb 0.19 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 2i7k h LEU 97 CO -0.02 0.32 0.21 0.45 -0.62 0.00 0.00 178.44 178.78 2i7k h HIS 98 N 0.57 1.01 -0.40 1.25 3.86 -1.11 -2.27 115.15 118.06 2i7k h HIS 98 Ca 0.22 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 2i7k h HIS 98 Cb 0.07 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2i7k h HIS 98 CO -0.08 0.80 0.16 0.77 0.86 0.00 0.00 177.93 180.44 2i7k h SER 99 N 0.95 0.56 -0.21 2.45 0.02 -0.86 -2.33 113.55 114.13 2i7k h SER 99 Ca 0.21 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2i7k h SER 99 Cb 0.26 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2i7k h SER 99 CO -0.01 0.57 0.08 1.23 -1.14 0.00 0.00 176.83 177.57 2i7k h GLY 100 N 0.50 0.41 0.88 -3.77 0.00 -0.77 -0.55 103.07 99.77 2i7k h GLY 100 Ca 0.13 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 2i7k h GLY 100 CO -0.01 0.18 -0.25 -0.33 0.00 0.00 0.00 176.54 176.13 2i7k h MET 101 N 0.38 0.57 -0.20 4.80 2.86 -1.09 -2.12 114.93 120.13 2i7k h MET 101 Ca 0.09 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.32 2i7k h MET 101 Cb 0.12 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 2i7k h MET 101 CO -0.01 0.91 -0.29 1.57 1.06 0.00 0.00 176.91 180.15 2i7k h LYS 102 N 0.26 0.55 -0.40 1.72 2.10 -1.15 -3.19 116.57 116.47 2i7k h LYS 102 Ca 0.03 -0.33 -0.04 0.00 -2.00 0.00 0.00 60.65 58.31 2i7k h LYS 102 Cb 0.81 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.15 2i7k h LYS 102 CO 0.06 0.93 0.07 -0.84 -2.00 0.00 0.00 179.45 177.67 2i7k h ILE 103 N 0.22 1.19 -0.58 0.07 -0.00 -1.17 -2.38 117.51 114.87 2i7k h ILE 103 Ca 0.02 -0.72 0.12 0.00 -0.00 0.00 0.00 64.86 64.28 2i7k h ILE 103 Cb 0.87 0.82 -0.03 0.00 -0.00 0.00 0.00 36.82 38.48 2i7k h ILE 103 CO 0.07 0.26 0.39 0.25 -0.00 0.00 0.00 178.15 179.12 2i7k h LEU 104 N 0.59 0.24 -1.30 0.16 6.46 -1.36 0.19 115.31 120.29 2i7k h LEU 104 Ca 0.13 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2i7k h LEU 104 Cb 0.27 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2i7k h LEU 104 CO 0.00 0.14 -0.04 0.28 -0.62 0.00 0.00 178.44 178.20 2i7k h SER 105 N 0.27 0.00 -0.19 1.25 0.02 -1.49 -2.78 113.55 110.63 2i7k h SER 105 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2i7k h SER 105 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2i7k h SER 105 CO -0.06 0.04 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 2i7k n GLN 106 N -3.15 1.47 -0.16 3.45 3.00 0.68 -4.13 117.38 118.54 2i7k n GLN 106 Ca 0.01 -0.73 0.17 0.00 -0.01 0.00 0.00 57.00 56.43 2i7k n GLN 106 Cb 0.34 -1.19 0.53 0.00 0.00 0.00 0.00 30.24 29.92 2i7k n GLN 106 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2i7k h GLU 107 N 1.22 0.36 0.00 -1.09 4.22 -1.55 -3.43 114.58 114.32 2i7k h GLU 107 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 2i7k h GLU 107 Cb 0.28 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2i7k h GLU 107 CO 0.00 0.24 -0.01 0.54 -2.18 0.00 0.00 179.01 177.60 2i7k n ARG 108 N -4.47 1.90 -1.42 1.92 3.00 -1.26 -4.92 116.66 111.41 2i7k n ARG 108 Ca 0.15 -0.07 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 2i7k n ARG 108 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 32.46 33.05 2i7k n ARG 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2i7k n LEU 109 N 0.00 -3.97 -1.48 0.55 -0.00 -1.26 -5.00 117.00 105.84 2i7k n LEU 109 Ca -0.00 1.38 0.00 0.00 -0.00 0.00 0.00 56.01 57.38 2i7k n LEU 109 Cb 0.01 -1.99 0.00 0.00 -0.00 0.00 0.00 43.42 41.44 2i7k n LEU 109 CO 0.01 -1.06 -0.26 1.21 -0.00 0.00 0.00 177.39 177.28 2i7k n GLU 110 N 0.84 -2.95 -4.26 1.96 2.13 -1.26 -5.07 120.64 112.03 2i7k n GLU 110 Ca 0.00 2.34 -0.27 0.00 0.66 0.00 0.00 57.16 59.89 2i7k n GLU 110 Cb 0.00 -2.47 -0.06 0.00 0.27 0.00 0.00 31.44 29.19 2i7k n GLU 110 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2i7k n HIS 111 N 1.01 0.81 -3.96 4.31 1.44 -1.26 -5.13 115.22 112.45 2i7k n HIS 111 Ca 0.00 -2.18 -0.09 0.00 -2.01 0.00 0.00 57.72 53.44 2i7k n HIS 111 Cb 0.00 -0.22 -0.04 0.00 0.12 0.00 0.00 29.99 29.84 2i7k n HIS 111 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2i7k s HIS 112 N -2.65 0.21 -0.01 -1.40 -3.43 -1.26 -5.09 115.29 101.66 2i7k s HIS 112 Ca 0.04 -0.60 -0.00 0.00 -0.80 0.00 0.00 55.06 53.70 2i7k s HIS 112 Cb 0.00 0.34 -0.01 0.00 -1.43 0.00 0.00 32.58 31.48 2i7k s HIS 112 CO 0.03 -1.07 -0.02 1.58 -2.00 0.00 0.00 174.74 173.26 2i7k n HIS 113 N -0.41 0.00 -1.82 0.38 -0.00 -1.26 -5.07 115.22 107.05 2i7k n HIS 113 Ca -0.02 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.86 2i7k n HIS 113 Cb 0.61 -0.05 0.06 0.00 -0.12 0.00 0.00 29.99 30.49 2i7k n HIS 113 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2i7k s HIS 114 N -2.03 3.17 -0.22 1.57 3.76 -1.26 -5.07 115.29 115.21 2i7k s HIS 114 Ca -0.02 1.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.90 2i7k s HIS 114 Cb 0.01 -3.14 0.06 0.00 1.11 0.00 0.00 32.58 30.62 2i7k s HIS 114 CO 0.03 -1.39 0.00 -1.58 -0.85 0.00 0.00 174.74 170.95 2i7k s HIS 115 N -3.35 1.63 0.00 1.40 2.46 -1.26 -5.25 115.29 110.92 2i7k s HIS 115 Ca 0.59 -1.28 0.00 0.00 0.47 0.00 0.00 55.06 54.85 2i7k s HIS 115 Cb -0.12 -1.30 0.00 0.00 -0.13 0.00 0.00 32.58 31.04 2i7k s HIS 115 CO 0.52 -0.69 0.00 1.58 -2.47 0.00 0.00 174.74 173.68