#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 0.57 0.02 2.12 2.12 -1.26 -5.16 118.70 117.12 2i7k s GLU 1 Ca 0.00 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.85 2i7k s GLU 1 Cb 0.00 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.36 2i7k s GLU 1 CO 0.00 -0.72 -0.11 -1.21 -0.54 0.00 0.00 175.26 172.69 2i7k s GLU 2 N 1.10 0.74 -0.46 4.30 2.02 -1.26 -4.77 118.70 120.37 2i7k s GLU 2 Ca 0.24 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.64 2i7k s GLU 2 Cb 0.06 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.60 2i7k s GLU 2 CO -0.09 0.17 0.00 0.28 0.02 0.00 0.00 175.26 175.64 2i7k n VAL 3 N 2.14 0.00 0.15 2.63 0.31 -1.26 -4.83 118.33 117.47 2i7k n VAL 3 Ca -0.17 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.24 2i7k n VAL 3 Cb 0.56 -0.91 0.16 0.00 -0.91 0.00 0.00 33.84 32.74 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 -1.15 2.15 -0.01 5.55 1.02 -1.26 -4.36 120.64 122.58 2i7k n GLU 4 Ca -0.04 -1.96 0.09 0.00 -0.02 0.00 0.00 57.16 55.23 2i7k n GLU 4 Cb 0.36 -1.36 -0.15 0.00 -0.02 0.00 0.00 31.44 30.26 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 0.98 0.62 -0.04 3.49 6.02 -1.26 -4.59 117.38 122.59 2i7k n GLN 5 Ca 0.14 -0.17 -0.11 0.00 -0.01 0.00 0.00 57.00 56.85 2i7k n GLN 5 Cb 0.47 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 2i7k n GLN 5 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2i7k h THR 6 N 0.00 0.17 -0.82 5.09 1.35 -1.99 -0.95 112.91 115.75 2i7k h THR 6 Ca -0.02 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.97 2i7k h THR 6 Cb 0.96 0.17 -0.09 0.00 -1.73 0.00 0.00 68.15 67.46 2i7k h THR 6 CO 0.00 0.00 0.41 1.55 -0.25 0.00 0.00 175.52 177.23 2i7k h PRO 7 N -0.42 0.59 -0.55 4.72 0.13 -1.88 -1.06 132.00 133.54 2i7k h PRO 7 Ca 0.10 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 2i7k h PRO 7 Cb 0.60 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.57 2i7k h PRO 7 CO -0.44 0.39 0.28 -0.07 -0.23 0.00 0.00 178.00 177.92 2i7k h LEU 8 N 0.61 0.70 -1.33 1.56 4.07 -1.62 -2.36 115.31 116.94 2i7k h LEU 8 Ca 0.44 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.26 2i7k h LEU 8 Cb 0.61 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 2i7k h LEU 8 CO -0.35 0.62 0.14 -0.61 -1.08 0.00 0.00 178.44 177.15 2i7k h GLN 9 N 0.74 0.60 -0.32 1.13 4.15 -0.01 -2.29 115.11 119.11 2i7k h GLN 9 Ca 0.19 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 2i7k h GLN 9 Cb 0.09 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2i7k h GLN 9 CO -0.03 0.52 0.19 0.93 -1.93 0.00 0.00 178.83 178.51 2i7k h GLU 10 N 0.59 0.43 -0.38 1.69 4.39 -0.73 -2.34 114.58 118.22 2i7k h GLU 10 Ca 0.14 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 2i7k h GLU 10 Cb 0.16 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2i7k h GLU 10 CO -0.01 0.34 -0.00 0.00 -1.16 0.00 0.00 179.01 178.17 2i7k h ALA 11 N 1.07 1.28 -0.39 3.43 0.00 -1.17 -2.43 119.26 121.05 2i7k h ALA 11 Ca 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2i7k h ALA 11 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2i7k h ALA 11 CO -0.02 0.49 0.23 -0.07 0.00 0.00 0.00 179.25 179.88 2i7k h LEU 12 N 0.58 0.47 -1.02 0.00 3.38 -0.97 -1.35 115.31 116.40 2i7k h LEU 12 Ca 0.12 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2i7k h LEU 12 Cb 0.37 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2i7k h LEU 12 CO 0.01 0.38 -0.32 -0.55 0.09 0.00 0.00 178.44 178.06 2i7k h ASN 13 N 0.51 0.32 -0.24 -0.43 7.08 -1.26 -2.52 115.58 119.03 2i7k h ASN 13 Ca 0.14 -0.11 -0.03 0.00 -3.08 0.00 0.00 56.30 53.22 2i7k h ASN 13 Cb 0.00 -0.09 -0.01 0.00 -2.08 0.00 0.00 38.32 36.15 2i7k h ASN 13 CO -0.03 0.62 0.05 -0.61 -2.08 0.00 0.00 177.43 175.39 2i7k h GLN 14 N 0.27 0.39 -0.37 4.14 5.75 -1.00 0.28 115.11 124.57 2i7k h GLN 14 Ca 0.04 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2i7k h GLN 14 Cb 0.70 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 2i7k h GLN 14 CO 0.05 0.51 0.23 1.25 -2.65 0.00 0.00 178.83 178.22 2i7k h LEU 15 N 0.21 0.43 -0.44 -2.39 7.12 -1.16 0.86 115.31 119.95 2i7k h LEU 15 Ca 0.07 -0.03 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 2i7k h LEU 15 Cb 0.30 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 2i7k h LEU 15 CO 0.00 0.34 -0.14 -0.03 -0.13 0.00 0.00 178.44 178.48 2i7k h MET 16 N 0.48 0.88 -0.74 1.25 4.05 -1.37 -2.20 114.93 117.28 2i7k h MET 16 Ca 0.13 -0.35 -0.05 0.00 -0.28 0.00 0.00 59.70 59.15 2i7k h MET 16 Cb -0.02 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 2i7k h MET 16 CO -0.03 0.99 0.27 0.00 0.23 0.00 0.00 176.91 178.38 2i7k h ARG 17 N 0.71 1.11 -0.07 0.39 3.08 -0.20 0.32 114.38 119.72 2i7k h ARG 17 Ca 0.11 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2i7k h ARG 17 Cb 0.69 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2i7k h ARG 17 CO 0.05 0.92 0.02 0.37 -1.07 0.00 0.00 179.97 180.26 2i7k h GLN 18 N 1.08 0.12 -0.10 0.04 4.15 -0.71 -1.41 115.11 118.27 2i7k h GLN 18 Ca 0.24 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 2i7k h GLN 18 Cb 0.24 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2i7k h GLN 18 CO -0.02 0.32 -0.52 1.37 -1.93 0.00 0.00 178.83 178.05 2i7k h LEU 19 N -0.11 0.31 -0.71 -2.39 8.10 -1.27 -3.03 115.31 116.21 2i7k h LEU 19 Ca 0.02 -0.16 -0.08 0.00 0.11 0.00 0.00 57.88 57.77 2i7k h LEU 19 Cb 0.26 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.36 2i7k h LEU 19 CO 0.00 0.78 0.07 -0.61 -4.11 0.00 0.00 178.44 174.57 2i7k h GLN 20 N 0.22 1.06 0.00 0.17 4.15 -0.27 -2.46 115.11 117.98 2i7k h GLN 20 Ca 0.01 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2i7k h GLN 20 Cb 1.00 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.57 2i7k h GLN 20 CO 0.08 0.99 0.00 -0.09 -1.93 0.00 0.00 178.83 177.89 2i7k h ARG 21 N 0.99 0.00 0.00 1.69 1.12 -1.18 -3.36 114.38 113.64 2i7k h ARG 21 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 2i7k h ARG 21 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.43 2i7k h ARG 21 CO 0.02 0.00 0.00 1.17 -3.11 0.00 0.00 179.97 178.05 2i7k n LYS 22 N -2.55 0.00 0.00 0.20 3.00 -0.93 -4.97 118.16 112.91 2i7k n LYS 22 Ca 0.02 0.66 0.00 0.00 -0.00 0.00 0.00 58.31 58.99 2i7k n LYS 22 Cb 0.29 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.97 2i7k n LYS 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2i7k n ASP 23 N -2.09 0.00 0.05 3.14 2.03 -1.26 -4.98 116.55 113.44 2i7k n ASP 23 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 2i7k n ASP 23 Cb 0.00 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 40.74 2i7k n ASP 23 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2i7k h PRO 24 N 0.00 0.41 -0.46 -0.67 0.11 -1.88 -2.63 132.00 126.88 2i7k h PRO 24 Ca 0.00 -0.09 0.13 0.00 0.11 0.00 0.00 66.00 66.16 2i7k h PRO 24 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 2i7k h PRO 24 CO 0.00 0.47 0.33 1.03 -0.21 0.00 0.00 178.00 179.62 2i7k h SER 25 N 0.39 0.00 -0.89 -2.05 0.87 -1.81 -1.21 113.55 108.86 2i7k h SER 25 Ca 0.08 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.87 2i7k h SER 25 Cb 0.33 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 2i7k h SER 25 CO 0.01 0.00 0.61 0.00 -0.53 0.00 0.00 176.83 176.92 2i7k h ALA 26 N 1.76 2.52 -0.08 6.23 0.00 -1.68 0.39 119.26 128.40 2i7k h ALA 26 Ca 0.22 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 2i7k h ALA 26 Cb 0.88 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2i7k h ALA 26 CO -0.00 -0.79 -0.64 0.74 0.00 0.00 0.00 179.25 178.55 2i7k h PHE 27 N 0.20 0.40 -0.43 0.00 -1.00 -1.42 -3.25 116.94 111.43 2i7k h PHE 27 Ca 0.44 -0.16 -0.30 0.00 2.81 0.00 0.00 57.97 60.77 2i7k h PHE 27 Cb 1.43 -0.07 -0.21 0.00 3.61 0.00 0.00 35.95 40.71 2i7k h PHE 27 CO -0.00 0.86 -0.44 1.19 -1.61 0.00 0.00 178.31 178.31 2i7k n PHE 28 N -3.86 1.50 -0.99 -0.55 3.72 0.51 -4.68 117.46 113.13 2i7k n PHE 28 Ca -0.03 -1.90 0.03 0.00 -0.05 0.00 0.00 57.45 55.50 2i7k n PHE 28 Cb 0.65 -0.42 0.35 0.00 -0.94 0.00 0.00 39.48 39.12 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 -0.95 5.08 -3.82 4.37 7.64 0.11 -2.53 113.62 123.51 2i7k n SER 29 Ca 0.35 -3.07 -0.12 0.00 1.01 0.00 0.00 58.87 57.03 2i7k n SER 29 Cb 0.87 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.87 -0.10 -0.41 1.43 0.40 -1.26 -4.23 117.98 110.93 2i7k s PHE 30 Ca 0.53 0.18 -0.27 0.00 -0.60 0.00 0.00 56.93 56.77 2i7k s PHE 30 Cb 0.41 0.03 -0.06 0.00 0.51 0.00 0.00 43.02 43.91 2i7k s PHE 30 CO 0.14 -0.28 2.36 -2.14 0.70 0.00 0.00 175.22 175.99 2i7k s PRO 31 N -1.00 2.39 0.43 0.24 0.02 -1.26 -4.76 135.00 131.06 2i7k s PRO 31 Ca -0.11 1.59 -0.24 0.00 0.02 0.00 0.00 61.00 62.26 2i7k s PRO 31 Cb -0.05 -4.53 -0.10 0.00 0.02 0.00 0.00 34.50 29.84 2i7k s PRO 31 CO 0.02 -2.95 1.09 1.33 -0.33 0.00 0.00 177.00 176.17 2i7k n VAL 32 N 7.93 2.58 -4.02 3.83 0.24 -1.26 -4.96 118.33 122.68 2i7k n VAL 32 Ca 0.35 -0.50 -0.01 0.00 -2.04 0.00 0.00 64.34 62.14 2i7k n VAL 32 Cb 0.52 -1.29 -0.00 0.00 -1.47 0.00 0.00 33.84 31.60 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 -0.48 0.00 0.72 3.34 -2.24 -1.26 -4.89 114.28 109.47 2i7k n THR 33 Ca 0.09 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2i7k n THR 33 Cb 0.40 0.05 0.40 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.75 0.00 -0.00 3.42 -0.08 -1.26 -1.43 116.55 114.44 2i7k n ASP 34 Ca 0.00 0.20 -0.01 0.00 -1.51 0.00 0.00 54.79 53.47 2i7k n ASP 34 Cb 0.03 -0.36 -0.00 0.00 2.34 0.00 0.00 41.12 43.13 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 -1.36 0.00 0.06 -0.67 -0.00 -1.26 -4.71 117.46 109.53 2i7k n PHE 35 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.52 2i7k n PHE 35 Cb 0.15 -0.03 0.30 0.00 -0.00 0.00 0.00 39.48 39.90 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 -0.01 1.22 -2.51 -2.13 2.04 -1.93 -3.44 117.51 110.75 2i7k h ILE 36 Ca -0.02 -1.00 -0.59 0.00 1.00 0.00 0.00 64.86 64.25 2i7k h ILE 36 Cb 1.03 1.24 -0.12 0.00 -0.74 0.00 0.00 36.82 38.23 2i7k h ILE 36 CO -0.01 0.32 -0.68 0.00 0.00 0.00 0.00 178.15 177.77 2i7k s ALA 37 N -4.65 3.04 -2.00 1.87 0.00 -0.51 -4.78 121.76 114.72 2i7k s ALA 37 Ca -0.06 -1.60 0.19 0.00 0.00 0.00 0.00 51.96 50.49 2i7k s ALA 37 Cb 0.15 -0.71 1.16 0.00 0.00 0.00 0.00 23.12 23.72 2i7k s ALA 37 CO 0.76 0.35 1.56 -0.35 0.00 0.00 0.00 175.76 178.08 2i7k n PRO 38 N -0.51 0.65 0.00 0.00 -0.04 -1.26 -4.58 135.00 129.26 2i7k n PRO 38 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2i7k n PRO 38 Cb 0.58 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.29 0.26 0.13 0.55 0.00 -1.26 -5.04 105.19 100.12 2i7k n GLY 39 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.07 0.00 1.61 -1.99 -1.81 -0.94 116.97 113.90 2i7k h TYR 40 Ca 0.00 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2i7k h TYR 40 Cb 0.00 0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 2i7k h TYR 40 CO 0.00 0.01 -0.07 1.03 -0.00 0.00 0.00 178.16 179.13 2i7k h SER 41 N 0.14 0.00 -0.00 3.88 0.87 -1.86 0.91 113.55 117.49 2i7k h SER 41 Ca 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2i7k h SER 41 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2i7k h SER 41 CO -0.18 0.07 -0.02 0.24 -0.53 0.00 0.00 176.83 176.41 2i7k h MET 42 N 0.00 0.02 0.00 2.24 2.86 -1.61 -3.41 114.93 115.03 2i7k h MET 42 Ca -0.00 -0.01 -0.44 0.00 -2.06 0.00 0.00 59.70 57.18 2i7k h MET 42 Cb 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.77 2i7k h MET 42 CO 0.01 0.74 -2.51 1.51 1.06 0.00 0.00 176.91 177.71 2i7k n ILE 43 N -4.72 1.49 -2.97 -1.22 0.00 -0.79 -4.78 119.36 106.37 2i7k n ILE 43 Ca -0.09 -0.43 -0.44 0.00 0.00 0.00 0.00 62.75 61.79 2i7k n ILE 43 Cb 0.37 -1.75 -0.02 0.00 0.00 0.00 0.00 39.64 38.23 2i7k n ILE 43 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2i7k s ILE 44 N -2.50 4.86 0.19 9.51 -1.09 0.32 -4.89 121.20 127.59 2i7k s ILE 44 Ca -0.37 -1.77 -0.12 0.00 -2.23 0.00 0.00 60.65 56.15 2i7k s ILE 44 Cb 0.13 -4.76 0.11 0.00 -1.58 0.00 0.00 42.46 36.37 2i7k s ILE 44 CO 0.51 -1.46 1.72 0.50 -1.23 0.00 0.00 174.94 174.98 2i7k h LYS 45 N 8.57 0.26 -3.07 2.79 3.64 -1.78 -3.32 116.57 123.67 2i7k h LYS 45 Ca 0.16 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.91 2i7k h LYS 45 Cb 1.01 -0.06 -0.42 0.00 -0.41 0.00 0.00 32.23 32.36 2i7k h LYS 45 CO 1.08 0.17 -0.60 -1.58 -2.27 0.00 0.00 179.45 176.26 2i7k s HIS 46 N -6.13 3.42 0.02 1.91 2.46 -1.26 -4.92 115.29 110.78 2i7k s HIS 46 Ca -0.13 -3.28 -0.20 0.00 0.47 0.00 0.00 55.06 51.92 2i7k s HIS 46 Cb 0.15 -2.62 -0.18 0.00 -0.13 0.00 0.00 32.58 29.81 2i7k s HIS 46 CO 0.73 -0.57 1.24 -1.35 -2.47 0.00 0.00 174.74 172.31 2i7k h PRO 47 N 5.48 0.37 -5.85 2.88 0.11 -1.91 -3.43 132.00 129.65 2i7k h PRO 47 Ca 0.14 -0.26 -0.18 0.00 0.11 0.00 0.00 66.00 65.81 2i7k h PRO 47 Cb 0.77 0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.93 2i7k h PRO 47 CO 0.70 0.88 -0.67 -1.33 -0.21 0.00 0.00 178.00 177.37 2i7k n MET 48 N -4.44 -1.92 -1.46 1.05 2.81 -1.26 -2.22 117.12 109.68 2i7k n MET 48 Ca -0.08 1.61 -0.29 0.00 -1.81 0.00 0.00 57.70 57.13 2i7k n MET 48 Cb 0.47 -4.26 0.18 0.00 -0.71 0.00 0.00 33.22 28.91 2i7k n MET 48 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2i7k s ASP 49 N -2.46 2.52 0.41 7.83 -4.77 -1.26 -4.35 116.67 114.58 2i7k s ASP 49 Ca 0.19 0.70 0.10 0.00 -3.30 0.00 0.00 52.55 50.24 2i7k s ASP 49 Cb -0.04 -1.04 0.85 0.00 -1.09 0.00 0.00 42.92 41.61 2i7k s ASP 49 CO 0.81 -3.14 1.97 -0.26 0.70 0.00 0.00 175.17 175.25 2i7k h PHE 50 N -1.91 0.26 -0.22 2.11 0.04 -1.82 -1.66 116.94 113.73 2i7k h PHE 50 Ca -0.47 -0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.11 2i7k h PHE 50 Cb 1.30 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.37 2i7k h PHE 50 CO -0.84 0.32 -0.50 1.03 -0.60 0.00 0.00 178.31 177.71 2i7k h SER 51 N 0.25 0.82 -0.21 2.17 0.87 -1.74 -0.84 113.55 114.88 2i7k h SER 51 Ca 0.06 -0.56 -0.07 0.00 -1.23 0.00 0.00 61.79 59.99 2i7k h SER 51 Cb 0.26 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2i7k h SER 51 CO 0.01 1.23 -0.14 0.74 -0.53 0.00 0.00 176.83 178.15 2i7k h THR 52 N 0.45 1.32 -0.42 2.23 2.02 -1.85 -2.46 112.91 114.20 2i7k h THR 52 Ca -0.00 -1.24 -0.10 0.00 0.77 0.00 0.00 66.41 65.84 2i7k h THR 52 Cb 1.12 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2i7k h THR 52 CO 0.11 0.38 -0.11 0.00 0.37 0.00 0.00 175.52 176.27 2i7k h MET 53 N 0.15 0.82 -0.56 6.66 3.00 -1.37 -2.41 114.93 121.21 2i7k h MET 53 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 59.70 59.44 2i7k h MET 53 Cb 0.65 -0.04 -0.03 0.00 0.00 0.00 0.00 31.60 32.17 2i7k h MET 53 CO 0.04 0.94 0.35 -0.22 0.00 0.00 0.00 176.91 178.02 2i7k h LYS 54 N 0.64 0.69 -0.76 -0.10 3.64 -1.17 0.20 116.57 119.71 2i7k h LYS 54 Ca 0.10 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2i7k h LYS 54 Cb 0.65 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2i7k h LYS 54 CO 0.04 0.46 0.31 1.49 -2.27 0.00 0.00 179.45 179.48 2i7k h GLU 55 N 0.71 1.12 -0.42 1.90 4.57 -1.40 -2.55 114.58 118.52 2i7k h GLU 55 Ca 0.22 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 2i7k h GLU 55 Cb -0.02 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 2i7k h GLU 55 CO -0.08 0.90 -0.27 0.87 -1.18 0.00 0.00 179.01 179.25 2i7k h LYS 56 N 1.10 0.90 -1.00 1.92 1.57 -0.87 -3.05 116.57 117.14 2i7k h LYS 56 Ca 0.26 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2i7k h LYS 56 Cb 0.19 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 2i7k h LYS 56 CO -0.02 1.06 0.66 0.82 -0.57 0.00 0.00 179.45 181.39 2i7k h ILE 57 N 0.76 1.19 -0.03 1.86 2.04 -0.26 -0.29 117.51 122.78 2i7k h ILE 57 Ca 0.09 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2i7k h ILE 57 Cb 0.84 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2i7k h ILE 57 CO 0.07 0.23 0.05 0.50 0.00 0.00 0.00 178.15 179.00 2i7k h LYS 58 N 1.28 0.00 -0.60 2.37 1.63 -1.35 0.07 116.57 119.97 2i7k h LYS 58 Ca 0.39 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.11 2i7k h LYS 58 Cb -0.03 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 2i7k h LYS 58 CO -0.12 0.00 0.10 0.09 -3.45 0.00 0.00 179.45 176.07 2i7k n ASN 59 N -3.57 5.18 -1.56 4.20 3.02 -0.34 -4.90 115.26 117.28 2i7k n ASN 59 Ca -0.02 -3.07 -0.19 0.00 -0.03 0.00 0.00 54.58 51.27 2i7k n ASN 59 Cb 0.13 -0.69 -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 0.59 -2.62 0.00 0.00 177.26 175.23 2i7k n ASN 60 N 0.18 -5.29 0.04 6.41 3.02 0.01 -4.86 115.26 114.77 2i7k n ASN 60 Ca 0.32 0.39 -0.08 0.00 -0.03 0.00 0.00 54.58 55.17 2i7k n ASN 60 Cb 1.24 -4.43 0.06 0.00 -0.61 0.00 0.00 39.78 36.04 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 0.48 -3.68 6.41 3.58 -1.26 -3.41 116.42 118.55 2i7k h ASP 61 Ca -0.40 -0.28 -0.62 0.00 0.42 0.00 0.00 57.03 56.15 2i7k h ASP 61 Cb 1.24 -0.14 -0.38 0.00 1.72 0.00 0.00 39.33 41.78 2i7k h ASP 61 CO 0.56 0.98 -0.79 -0.31 -2.88 0.00 0.00 179.24 176.81 2i7k s TYR 62 N -3.80 2.55 0.00 0.28 2.02 -1.25 -4.91 117.35 112.24 2i7k s TYR 62 Ca -0.06 -1.86 0.00 0.00 -0.37 0.00 0.00 57.07 54.78 2i7k s TYR 62 Cb 0.11 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 40.03 2i7k s TYR 62 CO 0.83 -0.79 0.83 0.94 -1.57 0.00 0.00 175.55 175.78 2i7k n GLN 63 N 4.63 0.00 -4.62 -0.62 7.27 -1.26 -4.70 117.38 118.07 2i7k n GLN 63 Ca -0.12 -0.73 -0.26 0.00 0.07 0.00 0.00 57.00 55.96 2i7k n GLN 63 Cb 0.44 -0.39 -0.17 0.00 2.41 0.00 0.00 30.24 32.53 2i7k n GLN 63 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2i7k s SER 64 N -0.68 1.94 0.36 1.69 1.04 -1.26 -4.96 113.70 111.82 2i7k s SER 64 Ca 0.00 -0.33 0.10 0.00 0.48 0.00 0.00 55.95 56.20 2i7k s SER 64 Cb 0.00 -0.89 0.86 0.00 0.10 0.00 0.00 66.02 66.09 2i7k s SER 64 CO 0.00 0.04 1.85 -0.29 0.98 0.00 0.00 173.24 175.82 2i7k h ILE 65 N 5.95 0.78 -0.36 -1.02 2.10 -1.98 0.29 117.51 123.27 2i7k h ILE 65 Ca -0.30 -0.22 -0.16 0.00 1.08 0.00 0.00 64.86 65.26 2i7k h ILE 65 Cb 1.19 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 2i7k h ILE 65 CO 0.47 0.12 -0.41 -0.08 -1.08 0.00 0.00 178.15 177.17 2i7k h GLU 66 N 0.64 0.88 -0.07 2.19 4.81 -1.98 0.40 114.58 121.46 2i7k h GLU 66 Ca 0.48 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2i7k h GLU 66 Cb 0.86 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 2i7k h GLU 66 CO -0.23 1.12 -0.06 1.49 -0.73 0.00 0.00 179.01 180.60 2i7k h GLU 67 N 0.72 0.17 -0.30 1.92 4.57 -1.37 -1.86 114.58 118.42 2i7k h GLU 67 Ca 0.05 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.01 2i7k h GLU 67 Cb 0.99 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2i7k h GLU 67 CO 0.10 0.59 -0.34 1.37 -1.18 0.00 0.00 179.01 179.54 2i7k h LEU 68 N -0.25 0.82 -0.73 1.64 8.10 -0.59 -2.61 115.31 121.69 2i7k h LEU 68 Ca 0.01 -0.48 -0.02 0.00 0.11 0.00 0.00 57.88 57.50 2i7k h LEU 68 Cb 0.56 -0.23 -0.03 0.00 -0.44 0.00 0.00 40.66 40.51 2i7k h LEU 68 CO 0.02 1.14 0.38 0.50 -4.11 0.00 0.00 178.44 176.37 2i7k h LYS 69 N 0.52 1.04 -0.33 0.17 3.64 -0.98 0.01 116.57 120.64 2i7k h LYS 69 Ca 0.04 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2i7k h LYS 69 Cb 0.93 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2i7k h LYS 69 CO 0.08 0.79 0.18 -0.44 -2.27 0.00 0.00 179.45 177.79 2i7k h ASP 70 N 1.02 0.41 -0.09 4.20 5.19 -1.31 0.20 116.42 126.04 2i7k h ASP 70 Ca 0.26 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2i7k h ASP 70 Cb 0.07 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 2i7k h ASP 70 CO -0.04 0.39 0.02 0.78 -3.12 0.00 0.00 179.24 177.27 2i7k h ASN 71 N 0.40 0.13 -0.29 6.45 4.21 -1.20 0.22 115.58 125.50 2i7k h ASN 71 Ca 0.11 -0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 2i7k h ASN 71 Cb 0.07 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.22 2i7k h ASN 71 CO -0.02 0.32 0.17 0.15 -1.29 0.00 0.00 177.43 176.76 2i7k h PHE 72 N -0.07 0.38 -0.40 1.19 3.57 -0.91 -2.33 116.94 118.37 2i7k h PHE 72 Ca 0.03 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2i7k h PHE 72 Cb 0.24 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2i7k h PHE 72 CO 0.00 0.29 -0.03 -0.22 -2.23 0.00 0.00 178.31 176.13 2i7k h LYS 73 N 0.36 0.66 -0.51 1.11 3.11 -0.55 -2.48 116.57 118.27 2i7k h LYS 73 Ca 0.10 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2i7k h LYS 73 Cb 0.03 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.15 2i7k h LYS 73 CO -0.02 0.70 0.34 -0.07 -2.81 0.00 0.00 179.45 177.59 2i7k h LEU 74 N 0.62 0.59 -0.58 5.20 3.38 -0.15 -0.36 115.31 124.01 2i7k h LEU 74 Ca 0.12 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2i7k h LEU 74 Cb 0.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2i7k h LEU 74 CO 0.02 0.43 0.00 -0.03 0.09 0.00 0.00 178.44 178.95 2i7k h MET 75 N 0.69 1.02 -0.09 1.13 4.05 -0.96 0.36 114.93 121.13 2i7k h MET 75 Ca 0.19 -0.33 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 2i7k h MET 75 Cb -0.08 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.63 2i7k h MET 75 CO -0.04 1.01 0.05 0.00 0.23 0.00 0.00 176.91 178.16 2i7k h THR 77 N 0.06 1.30 -0.14 0.00 2.02 -1.01 -2.51 112.91 112.64 2i7k h THR 77 Ca 0.03 -1.83 -0.13 0.00 0.77 0.00 0.00 66.41 65.25 2i7k h THR 77 Cb 0.07 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2i7k h THR 77 CO -0.01 0.58 -0.47 0.78 0.37 0.00 0.00 175.52 176.77 2i7k h ASN 78 N 0.54 0.37 -0.22 4.18 2.35 -0.16 -1.98 115.58 120.67 2i7k h ASN 78 Ca -0.00 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.44 2i7k h ASN 78 Cb 1.20 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 2i7k h ASN 78 CO 0.12 0.79 -0.36 0.00 -1.65 0.00 0.00 177.43 176.34 2i7k h ALA 79 N 1.22 0.34 -0.20 -0.83 0.00 0.16 -2.58 119.26 117.37 2i7k h ALA 79 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2i7k h ALA 79 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2i7k h ALA 79 CO 0.08 0.41 -0.41 0.00 0.00 0.00 0.00 179.25 179.33 2i7k h MET 80 N 0.33 0.48 -0.28 0.00 -0.00 -1.43 -2.29 114.93 111.75 2i7k h MET 80 Ca 0.02 -0.24 -0.05 0.00 -0.00 0.00 0.00 59.70 59.43 2i7k h MET 80 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.54 2i7k h MET 80 CO 0.08 0.81 -0.03 0.97 -0.00 0.00 0.00 176.91 178.74 2i7k h ILE 81 N 0.40 1.27 -0.92 -0.10 2.10 -1.36 -2.99 117.51 115.90 2i7k h ILE 81 Ca 0.03 -1.00 -0.59 0.00 1.08 0.00 0.00 64.86 64.39 2i7k h ILE 81 Cb 0.89 1.37 -0.27 0.00 -1.09 0.00 0.00 36.82 37.71 2i7k h ILE 81 CO 0.08 0.32 0.76 0.00 -1.08 0.00 0.00 178.15 178.23 2i7k n TYR 82 N -4.56 2.94 -2.89 2.19 9.36 -0.97 -4.67 117.16 118.55 2i7k n TYR 82 Ca -0.03 -2.63 0.02 0.00 3.32 0.00 0.00 57.90 58.58 2i7k n TYR 82 Cb 0.28 -1.28 0.00 0.00 -0.63 0.00 0.00 39.34 37.71 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 -1.43 -0.59 1.20 2.98 3.04 -0.86 -4.96 114.94 114.32 2i7k s ASN 83 Ca 0.58 -0.26 -0.17 0.00 0.04 0.00 0.00 52.86 53.05 2i7k s ASN 83 Cb 0.46 0.81 0.28 0.00 -1.54 0.00 0.00 41.25 41.26 2i7k s ASN 83 CO 0.01 -0.07 1.05 -0.54 -3.04 0.00 0.00 177.10 174.51 2i7k s LYS 84 N 2.04 -1.15 -0.49 0.43 1.02 -1.26 -4.48 119.74 115.86 2i7k s LYS 84 Ca 0.16 0.30 -0.27 0.00 0.02 0.00 0.00 55.97 56.18 2i7k s LYS 84 Cb 0.01 -1.57 -0.27 0.00 -0.52 0.00 0.00 37.83 35.48 2i7k s LYS 84 CO -0.14 -3.74 1.80 -2.30 -0.92 0.00 0.00 175.35 170.04 2i7k n PRO 85 N -4.85 0.57 0.26 -1.68 -0.02 -1.26 -4.56 135.00 123.46 2i7k n PRO 85 Ca 0.09 -1.48 -0.11 0.00 -2.02 0.00 0.00 63.50 59.98 2i7k n PRO 85 Cb 0.58 -2.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.05 2i7k n PRO 85 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2i7k h GLU 86 N 9.68 -0.68 0.00 -0.52 4.57 -1.98 -3.49 114.58 122.15 2i7k h GLU 86 Ca 0.26 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2i7k h GLU 86 Cb 0.76 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2i7k h GLU 86 CO 1.78 -0.46 0.00 0.25 -1.18 0.00 0.00 179.01 179.41 2i7k n THR 87 N -5.07 0.00 0.23 0.32 -2.24 -1.26 -5.00 114.28 101.25 2i7k n THR 87 Ca -0.09 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.71 2i7k n THR 87 Cb 0.28 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 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 -0.72 0.00 -0.10 2.28 -0.00 -1.26 -4.65 119.36 114.91 2i7k n ILE 88 Ca 0.00 -0.39 -0.08 0.00 -0.00 0.00 0.00 62.75 62.28 2i7k n ILE 88 Cb 0.00 1.00 -0.00 0.00 -0.00 0.00 0.00 39.64 40.64 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 0.02 0.36 -0.12 1.39 -1.99 -1.94 0.54 116.97 115.23 2i7k h TYR 89 Ca 0.00 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 2i7k h TYR 89 Cb 0.12 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 2i7k h TYR 89 CO 0.00 0.21 0.03 -0.92 -0.00 0.00 0.00 178.16 177.48 2i7k h TYR 90 N 0.39 0.20 -0.28 4.88 5.03 -1.84 -2.54 116.97 122.81 2i7k h TYR 90 Ca 0.13 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.33 2i7k h TYR 90 Cb 0.01 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 2i7k h TYR 90 CO -0.08 0.35 -0.19 0.87 -1.32 0.00 0.00 178.16 177.79 2i7k h LYS 91 N -0.02 0.51 -0.34 1.82 1.57 -1.79 -2.35 116.57 115.97 2i7k h LYS 91 Ca 0.04 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2i7k h LYS 91 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2i7k h LYS 91 CO 0.00 0.68 0.21 0.00 -0.57 0.00 0.00 179.45 179.77 2i7k h ALA 92 N 1.34 0.43 -0.51 3.86 0.00 0.21 0.23 119.26 124.82 2i7k h ALA 92 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2i7k h ALA 92 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2i7k h ALA 92 CO 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 179.25 179.06 2i7k h ALA 93 N 1.10 0.77 -0.10 0.00 0.00 -1.35 -1.74 119.26 117.95 2i7k h ALA 93 Ca 0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2i7k h ALA 93 Cb -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2i7k h ALA 93 CO -0.02 0.67 -0.06 -0.22 0.00 0.00 0.00 179.25 179.62 2i7k h LYS 94 N 0.87 0.21 -0.80 0.00 1.63 -1.19 -1.75 116.57 115.54 2i7k h LYS 94 Ca 0.13 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2i7k h LYS 94 Cb 0.70 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.29 2i7k h LYS 94 CO 0.05 0.58 0.50 0.87 -3.45 0.00 0.00 179.45 178.01 2i7k h LYS 95 N -0.16 1.08 -0.46 1.90 1.57 -0.55 -2.26 116.57 117.70 2i7k h LYS 95 Ca 0.02 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 2i7k h LYS 95 Cb 0.52 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2i7k h LYS 95 CO 0.02 0.74 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.53 2i7k h LEU 96 N 1.09 0.75 -0.41 2.94 -0.00 -1.31 -2.32 115.31 116.06 2i7k h LEU 96 Ca 0.29 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2i7k h LEU 96 Cb -0.07 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.37 2i7k h LEU 96 CO -0.06 0.84 0.25 0.25 -0.00 0.00 0.00 178.44 179.72 2i7k h LEU 97 N 0.72 0.49 -0.42 1.67 6.46 -0.76 0.01 115.31 123.47 2i7k h LEU 97 Ca 0.13 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 2i7k h LEU 97 Cb 0.50 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2i7k h LEU 97 CO 0.03 0.39 0.06 -0.74 -0.62 0.00 0.00 178.44 177.56 2i7k h HIS 98 N 0.54 0.75 -0.21 1.25 2.76 -1.31 -1.72 115.15 117.21 2i7k h HIS 98 Ca 0.15 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2i7k h HIS 98 Cb -0.01 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 2i7k h HIS 98 CO -0.04 0.73 0.11 0.77 -1.30 0.00 0.00 177.93 178.20 2i7k h SER 99 N 0.55 0.26 -0.82 3.26 0.02 -1.23 -2.46 113.55 113.13 2i7k h SER 99 Ca 0.13 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2i7k h SER 99 Cb 0.39 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 2i7k h SER 99 CO 0.01 0.28 0.52 1.23 -1.14 0.00 0.00 176.83 177.73 2i7k h GLY 100 N 0.22 1.17 0.90 -3.77 0.00 -0.93 -2.53 103.07 98.12 2i7k h GLY 100 Ca 0.07 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2i7k h GLY 100 CO -0.01 0.45 0.33 -0.33 0.00 0.00 0.00 176.54 176.98 2i7k h MET 101 N 1.11 0.65 -0.26 4.80 2.86 -1.12 0.22 114.93 123.18 2i7k h MET 101 Ca 0.30 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2i7k h MET 101 Cb -0.08 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 2i7k h MET 101 CO -0.06 0.43 0.15 -0.22 1.06 0.00 0.00 176.91 178.27 2i7k h LYS 102 N 0.67 0.35 -0.48 1.72 3.11 -1.18 -2.70 116.57 118.07 2i7k h LYS 102 Ca 0.22 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 57.90 2i7k h LYS 102 Cb 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 2i7k h LYS 102 CO -0.09 0.29 -0.18 0.82 -2.81 0.00 0.00 179.45 177.48 2i7k h ILE 103 N 0.32 1.27 -0.72 2.00 2.04 -1.22 -2.91 117.51 118.29 2i7k h ILE 103 Ca 0.09 -1.33 0.15 0.00 1.00 0.00 0.00 64.86 64.76 2i7k h ILE 103 Cb 0.03 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2i7k h ILE 103 CO -0.02 0.46 0.48 0.25 0.00 0.00 0.00 178.15 179.33 2i7k h LEU 104 N 0.83 0.35 -1.17 1.44 6.46 -0.36 -0.25 115.31 122.61 2i7k h LEU 104 Ca 0.12 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.94 2i7k h LEU 104 Cb 0.74 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 2i7k h LEU 104 CO 0.06 0.18 0.57 -1.28 -0.62 0.00 0.00 178.44 177.35 2i7k h SER 105 N 0.37 0.91 0.19 1.25 0.87 -1.27 -1.27 113.55 114.60 2i7k h SER 105 Ca 0.35 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 2i7k h SER 105 Cb 0.85 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2i7k h SER 105 CO -0.10 0.61 -0.36 1.56 -0.53 0.00 0.00 176.83 178.01 2i7k h GLN 106 N 1.04 0.24 -0.28 2.24 4.20 -1.16 -2.78 115.11 118.62 2i7k h GLN 106 Ca 0.36 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2i7k h GLN 106 Cb 0.11 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2i7k h GLN 106 CO -0.12 0.57 0.13 0.93 -0.67 0.00 0.00 178.83 179.67 2i7k h GLU 107 N 0.21 0.38 -0.86 1.46 3.07 -1.12 -2.12 114.58 115.61 2i7k h GLU 107 Ca 0.02 -0.04 -0.54 0.00 -0.50 0.00 0.00 59.36 58.30 2i7k h GLU 107 Cb 0.73 -0.08 -0.29 0.00 -0.84 0.00 0.00 28.75 28.28 2i7k h GLU 107 CO 0.06 0.31 0.42 -2.13 -1.40 0.00 0.00 179.01 176.26 2i7k n ARG 108 N -4.44 2.59 -3.55 2.33 0.63 -1.05 -4.99 116.66 108.17 2i7k n ARG 108 Ca 0.01 -3.34 -0.33 0.00 -0.92 0.00 0.00 57.85 53.27 2i7k n ARG 108 Cb 0.11 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 30.79 2i7k n ARG 108 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2i7k s LEU 109 N -3.58 4.26 -0.19 6.15 0.20 -0.80 -5.01 118.68 119.71 2i7k s LEU 109 Ca 0.58 0.77 0.13 0.00 0.69 0.00 0.00 54.13 56.30 2i7k s LEU 109 Cb 0.47 -3.33 -0.21 0.00 -0.43 0.00 0.00 46.19 42.69 2i7k s LEU 109 CO 0.03 0.05 -0.00 -0.62 -0.29 0.00 0.00 176.35 175.52 2i7k n GLU 110 N 0.28 0.90 -2.40 1.98 1.02 -1.26 -5.09 120.64 116.07 2i7k n GLU 110 Ca -0.03 0.03 -0.03 0.00 -0.02 0.00 0.00 57.16 57.10 2i7k n GLU 110 Cb 0.52 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2i7k n GLU 110 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2i7k n HIS 111 N -2.80 -3.47 -2.28 -0.32 8.25 -1.26 -4.86 115.22 108.47 2i7k n HIS 111 Ca -0.33 1.87 -0.04 0.00 -0.26 0.00 0.00 57.72 58.97 2i7k n HIS 111 Cb 1.06 -3.47 -0.03 0.00 1.12 0.00 0.00 29.99 28.67 2i7k n HIS 111 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2i7k n HIS 112 N 1.09 -3.18 -2.24 4.41 8.25 -1.26 -5.01 115.22 117.29 2i7k n HIS 112 Ca -0.23 1.80 -0.32 0.00 -0.26 0.00 0.00 57.72 58.72 2i7k n HIS 112 Cb 0.35 -3.24 -0.02 0.00 1.12 0.00 0.00 29.99 28.20 2i7k n HIS 112 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2i7k s HIS 113 N -0.55 3.50 -0.32 4.41 0.09 -1.26 -5.02 115.29 116.14 2i7k s HIS 113 Ca -0.19 1.42 0.17 0.00 -0.00 0.00 0.00 55.06 56.46 2i7k s HIS 113 Cb 0.01 -2.77 0.47 0.00 -0.00 0.00 0.00 32.58 30.29 2i7k s HIS 113 CO 0.57 -0.46 1.03 -2.39 -0.00 0.00 0.00 174.74 173.48 2i7k n HIS 114 N -1.92 1.58 0.00 1.40 1.44 -1.26 -4.86 115.22 111.60 2i7k n HIS 114 Ca 0.06 -2.62 0.00 0.00 -2.01 0.00 0.00 57.72 53.15 2i7k n HIS 114 Cb 0.54 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.35 2i7k n HIS 114 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2i7k n HIS 115 N -0.30 0.00 0.82 -1.40 -0.00 -1.26 -5.33 115.22 107.75 2i7k n HIS 115 Ca 0.15 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.93 2i7k n HIS 115 Cb 0.80 0.00 0.39 0.00 -0.00 0.00 0.00 29.99 31.19 2i7k n HIS 115 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06