#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 0.76 -3.13 3.17 1.02 -1.26 -5.09 120.64 116.11 2i7k n GLU 1 Ca 0.00 -2.60 -0.32 0.00 -0.02 0.00 0.00 57.16 54.23 2i7k n GLU 1 Cb 0.00 -0.68 -0.05 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.40 3.91 -1.18 3.49 -6.30 -1.26 -3.88 118.70 112.08 2i7k s GLU 2 Ca 0.35 0.53 0.00 0.00 -2.50 0.00 0.00 54.97 53.35 2i7k s GLU 2 Cb 0.38 -2.47 0.00 0.00 0.00 0.00 0.00 34.13 32.04 2i7k s GLU 2 CO -0.12 0.14 0.00 0.28 0.02 0.00 0.00 175.26 175.58 2i7k n VAL 3 N -0.55 0.00 -0.23 3.70 0.31 -1.26 -4.81 118.33 115.50 2i7k n VAL 3 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2i7k n VAL 3 Cb 0.53 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 -1.80 1.75 -0.00 5.55 -0.58 -1.25 -4.69 120.64 119.62 2i7k n GLU 4 Ca -0.11 -1.11 -0.03 0.00 -0.42 0.00 0.00 57.16 55.49 2i7k n GLU 4 Cb 0.48 -0.89 -0.11 0.00 -0.57 0.00 0.00 31.44 30.35 2i7k n GLU 4 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i7k n GLN 5 N -0.32 0.64 0.12 3.49 6.02 -1.26 -4.27 117.38 121.80 2i7k n GLN 5 Ca 0.00 0.18 -0.14 0.00 -0.01 0.00 0.00 57.00 57.03 2i7k n GLN 5 Cb 0.26 -1.74 -0.08 0.00 1.02 0.00 0.00 30.24 29.70 2i7k n GLN 5 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2i7k h THR 6 N 0.00 0.85 -0.90 5.09 2.02 -1.97 -2.87 112.91 115.13 2i7k h THR 6 Ca -0.24 -0.11 0.18 0.00 0.77 0.00 0.00 66.41 67.01 2i7k h THR 6 Cb 1.75 0.92 -0.07 0.00 -1.74 0.00 0.00 68.15 69.01 2i7k h THR 6 CO 0.05 0.03 0.59 -0.65 0.37 0.00 0.00 175.52 175.90 2i7k h PRO 7 N -0.29 0.53 -0.78 6.66 0.11 -1.89 -0.23 132.00 136.12 2i7k h PRO 7 Ca -0.02 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.10 2i7k h PRO 7 Cb 0.22 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.17 2i7k h PRO 7 CO 0.04 0.35 0.51 1.25 -0.21 0.00 0.00 178.00 179.94 2i7k h LEU 8 N 0.55 0.80 -1.30 2.35 6.46 -1.69 -1.83 115.31 120.65 2i7k h LEU 8 Ca 0.47 -0.00 0.09 0.00 -0.12 0.00 0.00 57.88 58.32 2i7k h LEU 8 Cb 0.97 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.66 2i7k h LEU 8 CO -0.21 0.54 0.53 -0.61 -0.62 0.00 0.00 178.44 178.07 2i7k h GLN 9 N 0.92 0.78 -0.22 1.25 4.15 -1.01 0.11 115.11 121.08 2i7k h GLN 9 Ca 0.32 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 2i7k h GLN 9 Cb 0.11 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2i7k h GLN 9 CO -0.10 0.51 0.04 0.93 -1.93 0.00 0.00 178.83 178.29 2i7k h GLU 10 N 0.80 0.36 -0.38 1.69 5.08 -1.40 -2.42 114.58 118.32 2i7k h GLU 10 Ca 0.37 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 2i7k h GLU 10 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2i7k h GLU 10 CO -0.14 0.50 -0.06 0.00 -1.00 0.00 0.00 179.01 178.30 2i7k h ALA 11 N 0.85 1.19 -0.35 3.43 0.00 -1.32 -2.42 119.26 120.64 2i7k h ALA 11 Ca 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2i7k h ALA 11 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2i7k h ALA 11 CO 0.00 0.52 0.19 -0.07 0.00 0.00 0.00 179.25 179.90 2i7k h LEU 12 N 0.59 0.43 -0.96 0.00 3.38 -0.81 -1.63 115.31 116.30 2i7k h LEU 12 Ca 0.11 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2i7k h LEU 12 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2i7k h LEU 12 CO 0.02 0.39 -0.30 -0.55 0.09 0.00 0.00 178.44 178.09 2i7k h ASN 13 N 0.44 0.40 -0.58 -0.43 7.08 -1.31 -1.97 115.58 119.20 2i7k h ASN 13 Ca 0.12 -0.14 -0.07 0.00 -3.08 0.00 0.00 56.30 53.13 2i7k h ASN 13 Cb 0.05 -0.11 -0.03 0.00 -2.08 0.00 0.00 38.32 36.15 2i7k h ASN 13 CO -0.02 0.69 0.10 1.56 -2.08 0.00 0.00 177.43 177.68 2i7k h GLN 14 N 0.34 0.99 -0.26 4.14 7.50 -1.09 0.15 115.11 126.88 2i7k h GLN 14 Ca 0.05 -0.25 -0.13 0.00 0.50 0.00 0.00 58.65 58.81 2i7k h GLN 14 Cb 0.70 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 28.10 2i7k h GLN 14 CO 0.05 0.91 -0.36 1.25 -1.50 0.00 0.00 178.83 179.18 2i7k h LEU 15 N 0.94 0.78 -0.21 1.46 6.46 -1.09 -1.54 115.31 122.10 2i7k h LEU 15 Ca 0.19 -0.50 -0.03 0.00 -0.12 0.00 0.00 57.88 57.41 2i7k h LEU 15 Cb 0.40 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2i7k h LEU 15 CO 0.01 1.13 0.00 -0.03 -0.62 0.00 0.00 178.44 178.93 2i7k h MET 16 N 0.45 0.36 -0.53 1.25 4.05 -1.18 -1.91 114.93 117.42 2i7k h MET 16 Ca 0.03 -0.11 -0.09 0.00 -0.28 0.00 0.00 59.70 59.24 2i7k h MET 16 Cb 0.95 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 2i7k h MET 16 CO 0.08 0.56 -0.04 0.07 0.23 0.00 0.00 176.91 177.81 2i7k h ARG 17 N 0.13 0.94 -0.74 0.39 -0.00 -1.02 -1.47 114.38 112.60 2i7k h ARG 17 Ca 0.06 -0.30 -0.02 0.00 -0.00 0.00 0.00 59.98 59.72 2i7k h ARG 17 Cb 0.39 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.97 30.24 2i7k h ARG 17 CO 0.01 0.95 0.36 0.37 -0.00 0.00 0.00 179.97 181.66 2i7k h GLN 18 N 0.85 1.05 -0.49 0.08 4.15 -1.22 -0.50 115.11 119.04 2i7k h GLN 18 Ca 0.15 -0.15 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 2i7k h GLN 18 Cb 0.56 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2i7k h GLN 18 CO 0.03 0.82 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.47 2i7k h LEU 19 N 1.03 1.03 -0.85 -2.39 3.38 -1.13 -3.06 115.31 113.33 2i7k h LEU 19 Ca 0.25 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2i7k h LEU 19 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2i7k h LEU 19 CO -0.03 1.19 -0.14 1.56 0.09 0.00 0.00 178.44 181.11 2i7k h GLN 20 N 0.87 0.70 0.00 1.13 4.20 -0.96 -2.62 115.11 118.42 2i7k h GLN 20 Ca 0.11 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2i7k h GLN 20 Cb 0.79 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2i7k h GLN 20 CO 0.07 0.82 0.00 0.00 -0.67 0.00 0.00 178.83 179.04 2i7k h ARG 21 N 0.63 0.00 0.00 1.46 3.08 -0.99 -3.29 114.38 115.28 2i7k h ARG 21 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2i7k h ARG 21 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2i7k h ARG 21 CO 0.04 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.57 2i7k n LYS 22 N -2.83 0.00 0.00 0.04 5.02 -0.99 -4.98 118.16 114.42 2i7k n LYS 22 Ca -0.02 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2i7k n LYS 22 Cb 0.12 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2i7k n LYS 22 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2i7k n ASP 23 N -1.73 0.00 0.14 4.39 8.00 -1.24 -4.98 116.55 121.13 2i7k n ASP 23 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2i7k n ASP 23 Cb 0.00 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 41.58 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 -0.54 -0.24 0.11 -1.89 -2.53 132.00 127.14 2i7k h PRO 24 Ca 0.00 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.23 2i7k h PRO 24 Cb 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 2i7k h PRO 24 CO 0.00 0.25 0.39 1.03 -0.21 0.00 0.00 178.00 179.45 2i7k h SER 25 N 0.23 0.02 -0.55 -2.05 0.87 -1.82 -0.80 113.55 109.45 2i7k h SER 25 Ca 0.06 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.78 2i7k h SER 25 Cb 0.15 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2i7k h SER 25 CO 0.00 0.01 0.49 0.00 -0.53 0.00 0.00 176.83 176.80 2i7k h ALA 26 N 1.73 2.36 -0.32 6.23 0.00 -1.70 0.49 119.26 128.06 2i7k h ALA 26 Ca 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2i7k h ALA 26 Cb 1.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2i7k h ALA 26 CO -0.01 -0.77 0.16 0.74 0.00 0.00 0.00 179.25 179.37 2i7k h PHE 27 N 0.00 0.46 -0.12 0.00 -1.00 -1.36 -3.19 116.94 111.73 2i7k h PHE 27 Ca 0.26 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.97 2i7k h PHE 27 Cb 1.24 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.62 2i7k h PHE 27 CO 0.00 0.40 -0.24 1.19 -1.61 0.00 0.00 178.31 178.05 2i7k n PHE 28 N -4.77 0.40 0.56 -0.55 3.72 -0.36 -4.67 117.46 111.79 2i7k n PHE 28 Ca -0.01 -1.38 0.11 0.00 -0.05 0.00 0.00 57.45 56.11 2i7k n PHE 28 Cb 0.10 -0.31 0.44 0.00 -0.94 0.00 0.00 39.48 38.77 2i7k n PHE 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2i7k n SER 29 N -1.13 0.35 -4.44 4.37 3.41 0.16 -2.18 113.62 114.15 2i7k n SER 29 Ca 0.23 0.57 -0.22 0.00 -0.26 0.00 0.00 58.87 59.18 2i7k n SER 29 Cb 0.80 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2i7k n SER 29 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2i7k s PHE 30 N -3.12 2.08 -0.35 7.33 -0.12 -1.26 -3.03 117.98 119.50 2i7k s PHE 30 Ca 0.08 -0.48 -0.28 0.00 -0.05 0.00 0.00 56.93 56.19 2i7k s PHE 30 Cb 0.11 -1.00 -0.02 0.00 -0.63 0.00 0.00 43.02 41.48 2i7k s PHE 30 CO 0.40 0.52 1.88 -1.25 -0.05 0.00 0.00 175.22 176.73 2i7k s PRO 31 N -3.60 3.20 0.46 1.99 0.04 -1.26 -4.75 135.00 131.08 2i7k s PRO 31 Ca 0.28 1.44 -0.23 0.00 0.04 0.00 0.00 61.00 62.53 2i7k s PRO 31 Cb -0.01 -4.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.18 2i7k s PRO 31 CO 0.12 -2.02 1.04 1.33 0.04 0.00 0.00 177.00 177.51 2i7k n VAL 32 N 7.47 2.72 -3.47 -0.36 0.24 -1.26 -4.99 118.33 118.68 2i7k n VAL 32 Ca 0.24 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2i7k n VAL 32 Cb 0.47 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 2i7k n VAL 32 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2i7k n THR 33 N -0.71 0.00 1.44 3.34 -1.04 -1.26 -4.84 114.28 111.21 2i7k n THR 33 Ca 0.10 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.24 2i7k n THR 33 Cb 0.41 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.64 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 -1.00 0.00 0.00 8.00 -0.08 -1.26 -2.66 116.55 119.55 2i7k n ASP 34 Ca 0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 52.81 2i7k n ASP 34 Cb 0.00 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.32 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 -1.14 0.00 0.19 -0.67 -0.00 -1.26 -4.77 117.46 109.82 2i7k n PHE 35 Ca 0.16 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.66 2i7k n PHE 35 Cb 0.14 0.07 0.51 0.00 -0.00 0.00 0.00 39.48 40.21 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 1.10 -2.42 -2.13 2.04 -1.95 -3.43 117.51 110.71 2i7k h ILE 36 Ca 0.00 -0.42 -0.58 0.00 1.00 0.00 0.00 64.86 64.85 2i7k h ILE 36 Cb 0.61 1.12 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 2i7k h ILE 36 CO 0.00 0.13 -0.69 0.00 0.00 0.00 0.00 178.15 177.59 2i7k s ALA 37 N -4.87 3.03 -2.00 1.87 0.00 -1.09 -4.80 121.76 113.90 2i7k s ALA 37 Ca -0.05 -1.64 0.16 0.00 0.00 0.00 0.00 51.96 50.43 2i7k s ALA 37 Cb 0.16 -0.68 0.97 0.00 0.00 0.00 0.00 23.12 23.58 2i7k s ALA 37 CO 0.70 0.32 1.45 -2.30 0.00 0.00 0.00 175.76 175.93 2i7k n PRO 38 N -0.59 0.72 0.00 0.00 -0.02 -1.26 -4.59 135.00 129.25 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 0.58 -1.35 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 0.37 0.41 0.21 -1.23 0.00 -1.26 -5.04 105.19 98.65 2i7k n GLY 39 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.43 0.00 1.61 -1.99 -1.81 0.29 116.97 114.64 2i7k h TYR 40 Ca 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2i7k h TYR 40 Cb 0.00 0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 2i7k h TYR 40 CO 0.00 -0.25 -0.16 0.77 -0.00 0.00 0.00 178.16 178.52 2i7k h SER 41 N -0.37 0.00 1.14 3.88 0.02 -1.82 0.95 113.55 117.36 2i7k h SER 41 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2i7k h SER 41 Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2i7k h SER 41 CO -0.03 0.16 -0.86 -0.03 -1.14 0.00 0.00 176.83 174.92 2i7k h MET 42 N 0.00 0.00 0.00 3.45 -1.53 -1.76 -3.41 114.93 111.69 2i7k h MET 42 Ca -0.00 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.16 2i7k h MET 42 Cb 0.40 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.43 2i7k h MET 42 CO 0.02 0.82 -1.37 1.51 0.14 0.00 0.00 176.91 178.04 2i7k n ILE 43 N -3.30 0.37 -3.71 1.77 0.13 0.02 -4.95 119.36 109.69 2i7k n ILE 43 Ca 0.00 -0.13 -0.38 0.00 -1.10 0.00 0.00 62.75 61.14 2i7k n ILE 43 Cb 0.88 -0.89 -0.11 0.00 -0.84 0.00 0.00 39.64 38.67 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 -2.13 3.67 0.20 9.51 1.09 0.33 -4.97 121.20 128.89 2i7k s ILE 44 Ca -0.09 -1.71 -0.11 0.00 -1.10 0.00 0.00 60.65 57.64 2i7k s ILE 44 Cb 0.02 -3.35 0.12 0.00 -1.06 0.00 0.00 42.46 38.19 2i7k s ILE 44 CO 0.14 -0.56 1.79 0.11 -0.10 0.00 0.00 174.94 176.32 2i7k h LYS 45 N 8.21 0.56 -3.13 2.79 1.57 -1.80 -3.34 116.57 121.43 2i7k h LYS 45 Ca -0.18 -0.03 -0.63 0.00 -1.87 0.00 0.00 60.65 57.94 2i7k h LYS 45 Cb 1.06 -0.13 -0.41 0.00 0.08 0.00 0.00 32.23 32.83 2i7k h LYS 45 CO 0.71 0.37 -0.54 -1.58 -0.57 0.00 0.00 179.45 177.85 2i7k s HIS 46 N -6.11 3.58 0.06 -1.35 2.46 -1.26 -4.91 115.29 107.76 2i7k s HIS 46 Ca -0.13 -3.31 -0.15 0.00 0.47 0.00 0.00 55.06 51.94 2i7k s HIS 46 Cb 0.15 -2.76 -0.27 0.00 -0.13 0.00 0.00 32.58 29.57 2i7k s HIS 46 CO 0.75 -0.57 1.13 -1.00 -2.47 0.00 0.00 174.74 172.58 2i7k h PRO 47 N 5.52 0.65 -5.36 2.88 0.13 -1.90 -3.44 132.00 130.48 2i7k h PRO 47 Ca 0.13 -0.80 -0.02 0.00 -0.87 0.00 0.00 66.00 64.45 2i7k h PRO 47 Cb 0.77 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2i7k h PRO 47 CO 0.73 1.36 -0.88 -1.33 -0.23 0.00 0.00 178.00 177.64 2i7k n MET 48 N -3.84 -2.86 -1.64 0.86 2.81 -1.26 -2.48 117.12 108.72 2i7k n MET 48 Ca -0.13 2.38 -0.29 0.00 -1.81 0.00 0.00 57.70 57.85 2i7k n MET 48 Cb 0.94 -4.90 0.15 0.00 -0.71 0.00 0.00 33.22 28.69 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 -1.81 3.40 0.42 7.83 1.11 -1.26 -4.39 116.67 121.96 2i7k s ASP 49 Ca 0.08 0.76 0.09 0.00 0.18 0.00 0.00 52.55 53.66 2i7k s ASP 49 Cb -0.02 -1.19 0.90 0.00 1.07 0.00 0.00 42.92 43.68 2i7k s ASP 49 CO 0.71 -2.60 2.03 -0.26 1.18 0.00 0.00 175.17 176.23 2i7k h PHE 50 N -1.54 0.37 -0.24 4.23 -1.00 -1.68 -1.88 116.94 115.19 2i7k h PHE 50 Ca -0.48 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.17 2i7k h PHE 50 Cb 1.31 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.75 2i7k h PHE 50 CO -0.21 0.29 -0.36 0.66 -1.61 0.00 0.00 178.31 177.09 2i7k h SER 51 N 0.38 0.74 -0.45 2.17 4.64 -1.75 -1.44 113.55 117.84 2i7k h SER 51 Ca 0.10 -0.51 -0.04 0.00 -0.47 0.00 0.00 61.79 60.86 2i7k h SER 51 Cb 0.07 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2i7k h SER 51 CO -0.01 1.11 0.12 0.74 -0.87 0.00 0.00 176.83 177.91 2i7k h THR 52 N 0.39 1.23 -0.41 2.95 2.02 -1.79 -2.06 112.91 115.24 2i7k h THR 52 Ca 0.02 -0.79 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 2i7k h THR 52 Cb 0.94 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2i7k h THR 52 CO 0.08 0.28 -0.19 0.00 0.37 0.00 0.00 175.52 176.06 2i7k h MET 53 N 0.60 0.85 -0.59 6.66 -0.00 -1.38 -2.48 114.93 118.58 2i7k h MET 53 Ca 0.14 -0.37 0.02 0.00 -0.00 0.00 0.00 59.70 59.49 2i7k h MET 53 Cb 0.31 -0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 31.84 2i7k h MET 53 CO -0.00 1.01 0.37 -0.22 -0.00 0.00 0.00 176.91 178.07 2i7k h LYS 54 N 0.67 0.71 -0.72 -0.10 3.64 -1.16 -0.15 116.57 119.46 2i7k h LYS 54 Ca 0.09 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2i7k h LYS 54 Cb 0.75 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2i7k h LYS 54 CO 0.06 0.47 0.29 1.49 -2.27 0.00 0.00 179.45 179.49 2i7k h GLU 55 N 0.73 1.06 -0.46 1.90 4.81 -1.33 -2.54 114.58 118.75 2i7k h GLU 55 Ca 0.23 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2i7k h GLU 55 Cb -0.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2i7k h GLU 55 CO -0.08 0.86 0.09 0.87 -0.73 0.00 0.00 179.01 180.02 2i7k h LYS 56 N 1.04 0.76 -0.99 1.92 1.57 -0.90 -2.88 116.57 117.09 2i7k h LYS 56 Ca 0.24 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2i7k h LYS 56 Cb 0.19 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 2i7k h LYS 56 CO -0.02 0.76 0.65 0.82 -0.57 0.00 0.00 179.45 181.09 2i7k h ILE 57 N 0.63 1.16 -0.02 1.86 2.04 -0.74 0.05 117.51 122.50 2i7k h ILE 57 Ca 0.14 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2i7k h ILE 57 Cb 0.36 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 2i7k h ILE 57 CO 0.01 0.23 0.04 0.50 0.00 0.00 0.00 178.15 178.92 2i7k h LYS 58 N 1.24 0.00 -0.50 2.37 1.63 -1.24 -0.29 116.57 119.78 2i7k h LYS 58 Ca 0.40 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.14 2i7k h LYS 58 Cb 0.02 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 2i7k h LYS 58 CO -0.13 0.00 0.06 0.09 -3.45 0.00 0.00 179.45 176.02 2i7k n ASN 59 N -3.49 4.83 -1.53 4.20 3.02 -0.18 -4.92 115.26 117.19 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 0.12 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.01 -5.28 0.12 6.41 4.05 -0.12 -4.86 115.26 115.59 2i7k n ASN 60 Ca 0.29 0.40 -0.02 0.00 0.45 0.00 0.00 54.58 55.70 2i7k n ASN 60 Cb 1.14 -4.42 0.20 0.00 1.23 0.00 0.00 39.78 37.94 2i7k n ASN 60 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2i7k h ASP 61 N 0.00 0.14 -3.57 1.20 3.32 -1.23 -3.40 116.42 112.88 2i7k h ASP 61 Ca -0.39 -0.07 -0.60 0.00 0.02 0.00 0.00 57.03 55.99 2i7k h ASP 61 Cb 1.24 -0.04 -0.38 0.00 0.22 0.00 0.00 39.33 40.36 2i7k h ASP 61 CO 0.56 0.63 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.62 2i7k s TYR 62 N -3.90 2.19 -0.00 4.55 2.02 -1.26 -4.92 117.35 116.03 2i7k s TYR 62 Ca -0.03 -1.61 0.01 0.00 -0.37 0.00 0.00 57.07 55.07 2i7k s TYR 62 Cb 0.13 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 2i7k s TYR 62 CO 0.77 -0.75 0.82 0.00 -1.57 0.00 0.00 175.55 174.82 2i7k n GLN 63 N 4.73 0.11 -4.43 -0.62 10.64 -1.26 -4.74 117.38 121.80 2i7k n GLN 63 Ca -0.12 -0.88 -0.20 0.00 -1.83 0.00 0.00 57.00 53.98 2i7k n GLN 63 Cb 0.45 -0.54 -0.15 0.00 -0.86 0.00 0.00 30.24 29.13 2i7k n GLN 63 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2i7k s SER 64 N -0.69 1.25 0.31 2.61 0.15 -1.26 -5.03 113.70 111.04 2i7k s SER 64 Ca 0.01 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.49 2i7k s SER 64 Cb 0.01 -0.24 0.60 0.00 -1.71 0.00 0.00 66.02 64.68 2i7k s SER 64 CO 0.00 0.10 1.89 0.16 1.20 0.00 0.00 173.24 176.59 2i7k h ILE 65 N 5.13 0.99 -0.38 6.45 3.07 -1.97 0.23 117.51 131.03 2i7k h ILE 65 Ca -0.32 -0.32 -0.15 0.00 1.55 0.00 0.00 64.86 65.61 2i7k h ILE 65 Cb 1.17 -0.04 -0.01 0.00 -0.27 0.00 0.00 36.82 37.68 2i7k h ILE 65 CO 0.49 0.17 -0.37 -0.08 -1.05 0.00 0.00 178.15 177.31 2i7k h GLU 66 N 0.94 0.90 -0.07 0.16 4.22 -1.98 -0.54 114.58 118.22 2i7k h GLU 66 Ca 0.42 -0.47 -0.03 0.00 0.08 0.00 0.00 59.36 59.37 2i7k h GLU 66 Cb 0.37 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2i7k h GLU 66 CO -0.18 1.12 -0.06 0.93 -2.18 0.00 0.00 179.01 178.64 2i7k h GLU 67 N 0.74 0.17 -0.68 1.92 5.08 -1.71 -0.12 114.58 119.98 2i7k h GLU 67 Ca 0.06 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2i7k h GLU 67 Cb 0.96 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2i7k h GLU 67 CO 0.09 0.58 0.24 1.25 -1.00 0.00 0.00 179.01 180.18 2i7k h LEU 68 N -0.25 0.95 -0.23 1.33 5.85 -0.62 -2.52 115.31 119.82 2i7k h LEU 68 Ca 0.01 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.40 2i7k h LEU 68 Cb 0.55 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2i7k h LEU 68 CO 0.02 0.86 -0.58 0.50 -0.34 0.00 0.00 178.44 178.90 2i7k h LYS 69 N 0.99 0.80 -0.44 1.25 3.64 -1.08 -1.61 116.57 120.12 2i7k h LYS 69 Ca 0.23 -0.55 0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2i7k h LYS 69 Cb 0.23 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2i7k h LYS 69 CO -0.01 1.18 0.25 0.22 -2.27 0.00 0.00 179.45 178.81 2i7k h ASP 70 N 0.55 0.39 -0.06 4.20 1.82 -0.81 0.30 116.42 122.80 2i7k h ASP 70 Ca -0.01 0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.57 2i7k h ASP 70 Cb 1.20 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.14 2i7k h ASP 70 CO 0.13 0.28 -0.26 0.78 -1.61 0.00 0.00 179.24 178.55 2i7k h ASN 71 N 0.50 0.33 -0.39 2.28 4.21 -1.50 -1.88 115.58 119.14 2i7k h ASN 71 Ca 0.18 -0.65 0.01 0.00 1.21 0.00 0.00 56.30 57.06 2i7k h ASN 71 Cb 0.04 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.12 2i7k h ASN 71 CO -0.10 0.93 0.24 0.15 -1.29 0.00 0.00 177.43 177.36 2i7k h PHE 72 N -0.24 0.45 -0.50 1.19 3.57 -1.20 -1.73 116.94 118.48 2i7k h PHE 72 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2i7k h PHE 72 Cb 0.91 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2i7k h PHE 72 CO 0.13 0.27 0.27 -0.22 -2.23 0.00 0.00 178.31 176.53 2i7k h LYS 73 N 0.49 0.69 -0.56 1.11 3.64 -0.46 -2.49 116.57 118.99 2i7k h LYS 73 Ca 0.15 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2i7k h LYS 73 Cb -0.03 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 2i7k h LYS 73 CO -0.05 0.51 0.37 -0.07 -2.27 0.00 0.00 179.45 177.94 2i7k h LEU 74 N 0.70 0.64 -0.26 5.20 3.38 -0.46 0.25 115.31 124.76 2i7k h LEU 74 Ca 0.18 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2i7k h LEU 74 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2i7k h LEU 74 CO -0.03 0.46 0.02 -0.03 0.09 0.00 0.00 178.44 178.95 2i7k h MET 75 N 0.75 0.44 -0.65 1.13 4.05 -1.04 0.48 114.93 120.09 2i7k h MET 75 Ca 0.20 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 2i7k h MET 75 Cb -0.09 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 2i7k h MET 75 CO -0.04 0.59 0.19 0.00 0.23 0.00 0.00 176.91 177.87 2i7k h THR 77 N 0.95 1.28 -0.28 0.00 2.02 -0.42 0.27 112.91 116.74 2i7k h THR 77 Ca 0.21 -1.81 -0.15 0.00 0.77 0.00 0.00 66.41 65.43 2i7k h THR 77 Cb 0.31 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2i7k h THR 77 CO -0.00 0.58 -0.44 0.78 0.37 0.00 0.00 175.52 176.80 2i7k h ASN 78 N 0.58 0.77 -0.08 4.18 4.21 0.10 -1.69 115.58 123.65 2i7k h ASN 78 Ca -0.01 -0.36 -0.17 0.00 1.21 0.00 0.00 56.30 56.96 2i7k h ASN 78 Cb 1.23 -0.22 0.01 0.00 -1.12 0.00 0.00 38.32 38.23 2i7k h ASN 78 CO 0.13 1.10 -0.62 0.00 -1.29 0.00 0.00 177.43 176.75 2i7k h ALA 79 N 0.93 0.18 -0.31 -0.83 0.00 -0.14 -2.59 119.26 116.51 2i7k h ALA 79 Ca 0.04 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2i7k h ALA 79 Cb 0.99 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2i7k h ALA 79 CO 0.09 0.45 -0.18 0.00 0.00 0.00 0.00 179.25 179.61 2i7k h MET 80 N 0.16 0.55 -0.28 0.00 -0.00 -0.95 -1.94 114.93 112.47 2i7k h MET 80 Ca -0.06 -0.19 -0.17 0.00 -0.00 0.00 0.00 59.70 59.29 2i7k h MET 80 Cb 1.28 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.83 2i7k h MET 80 CO 0.13 0.71 -0.50 0.97 -0.00 0.00 0.00 176.91 178.22 2i7k h ILE 81 N 0.50 1.29 -0.91 -0.10 6.09 -1.35 -3.06 117.51 119.96 2i7k h ILE 81 Ca 0.08 -1.69 -0.48 0.00 -1.37 0.00 0.00 64.86 61.40 2i7k h ILE 81 Cb 0.60 1.60 -0.28 0.00 0.47 0.00 0.00 36.82 39.21 2i7k h ILE 81 CO 0.04 0.55 0.61 0.00 -3.07 0.00 0.00 178.15 176.27 2i7k n TYR 82 N -4.01 2.81 -3.13 2.19 9.36 -0.98 -4.65 117.16 118.75 2i7k n TYR 82 Ca -0.03 -1.75 -0.00 0.00 3.32 0.00 0.00 57.90 59.43 2i7k n TYR 82 Cb 0.59 -0.90 -0.01 0.00 -0.63 0.00 0.00 39.34 38.40 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 -1.10 -1.48 1.00 2.98 2.47 -0.75 -4.97 114.94 113.09 2i7k s ASN 83 Ca 0.52 -0.98 -0.12 0.00 0.42 0.00 0.00 52.86 52.71 2i7k s ASN 83 Cb 0.44 1.93 0.19 0.00 -1.45 0.00 0.00 41.25 42.36 2i7k s ASN 83 CO 0.10 -0.15 1.08 -0.54 -3.72 0.00 0.00 177.10 173.87 2i7k s LYS 84 N 1.66 0.35 -0.70 0.43 -0.14 -1.26 -4.58 119.74 115.49 2i7k s LYS 84 Ca 0.19 1.03 -0.27 0.00 -1.36 0.00 0.00 55.97 55.55 2i7k s LYS 84 Cb -0.03 -1.69 -0.26 0.00 -1.68 0.00 0.00 37.83 34.17 2i7k s LYS 84 CO -0.07 -2.92 1.90 -0.35 -0.76 0.00 0.00 175.35 173.15 2i7k n PRO 85 N -4.38 0.41 -0.04 -1.68 -0.04 -1.26 -4.59 135.00 123.43 2i7k n PRO 85 Ca 0.07 -1.59 -0.00 0.00 -0.04 0.00 0.00 63.50 61.94 2i7k n PRO 85 Cb 0.54 -3.33 -0.00 0.00 -0.04 0.00 0.00 33.50 30.67 2i7k n PRO 85 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2i7k h GLU 86 N 10.47 -0.01 0.00 0.54 4.81 -1.99 -3.50 114.58 124.90 2i7k h GLU 86 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2i7k h GLU 86 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2i7k h GLU 86 CO 1.48 -0.01 0.00 0.25 -0.73 0.00 0.00 179.01 180.00 2i7k n THR 87 N -4.30 0.00 -0.06 0.32 -2.24 -1.26 -5.01 114.28 101.72 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 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.40 0.00 -0.09 2.28 5.41 -1.26 -4.72 119.36 120.57 2i7k n ILE 88 Ca 0.00 -0.44 -0.08 0.00 1.00 0.00 0.00 62.75 63.23 2i7k n ILE 88 Cb 0.00 1.06 -0.00 0.00 -0.71 0.00 0.00 39.64 39.99 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 0.34 -0.21 1.39 0.05 -1.95 0.31 116.97 116.90 2i7k h TYR 89 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2i7k h TYR 89 Cb 0.03 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 2i7k h TYR 89 CO 0.00 0.19 0.05 -0.92 -1.05 0.00 0.00 178.16 176.44 2i7k h TYR 90 N 0.37 0.35 -0.56 4.88 5.03 -1.81 -2.49 116.97 122.74 2i7k h TYR 90 Ca 0.13 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.37 2i7k h TYR 90 Cb 0.02 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 2i7k h TYR 90 CO -0.08 0.45 0.24 0.87 -1.32 0.00 0.00 178.16 178.31 2i7k h LYS 91 N 0.16 0.81 -0.28 1.82 1.57 -1.79 -1.95 116.57 116.90 2i7k h LYS 91 Ca 0.07 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2i7k h LYS 91 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2i7k h LYS 91 CO 0.00 0.65 0.15 0.00 -0.57 0.00 0.00 179.45 179.68 2i7k h ALA 92 N 1.47 0.37 -0.64 3.86 0.00 -0.17 0.18 119.26 124.33 2i7k h ALA 92 Ca 0.19 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2i7k h ALA 92 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2i7k h ALA 92 CO -0.02 -0.09 0.13 0.00 0.00 0.00 0.00 179.25 179.27 2i7k h ALA 93 N 1.01 0.84 -0.51 0.00 0.00 -1.20 -2.54 119.26 116.87 2i7k h ALA 93 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2i7k h ALA 93 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2i7k h ALA 93 CO -0.01 0.58 0.00 0.87 0.00 0.00 0.00 179.25 180.69 2i7k h LYS 94 N 0.95 0.90 -0.80 0.00 1.79 -1.18 -2.45 116.57 115.78 2i7k h LYS 94 Ca 0.20 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2i7k h LYS 94 Cb 0.39 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 2i7k h LYS 94 CO 0.01 0.92 0.51 -0.22 -1.08 0.00 0.00 179.45 179.59 2i7k h LYS 95 N 0.76 1.07 -0.60 3.15 1.63 -0.83 -2.32 116.57 119.43 2i7k h LYS 95 Ca 0.14 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 2i7k h LYS 95 Cb 0.52 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 2i7k h LYS 95 CO 0.03 0.73 0.11 -0.07 -3.45 0.00 0.00 179.45 176.79 2i7k h LEU 96 N 1.09 0.94 -0.42 5.20 -0.00 -1.34 -1.94 115.31 118.83 2i7k h LEU 96 Ca 0.29 -0.25 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2i7k h LEU 96 Cb -0.09 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.29 2i7k h LEU 96 CO -0.06 0.95 0.26 0.25 -0.00 0.00 0.00 178.44 179.85 2i7k h LEU 97 N 0.89 0.44 -0.37 1.67 6.46 -1.06 0.25 115.31 123.58 2i7k h LEU 97 Ca 0.18 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 2i7k h LEU 97 Cb 0.40 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 2i7k h LEU 97 CO 0.01 0.31 0.03 0.45 -0.62 0.00 0.00 178.44 178.63 2i7k h HIS 98 N 0.53 0.68 -0.62 1.25 3.86 -1.33 -2.16 115.15 117.36 2i7k h HIS 98 Ca 0.16 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 2i7k h HIS 98 Cb -0.02 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 2i7k h HIS 98 CO -0.06 0.70 0.06 0.77 0.86 0.00 0.00 177.93 180.26 2i7k h SER 99 N 0.46 1.01 -0.13 2.45 0.02 -1.13 -2.56 113.55 113.67 2i7k h SER 99 Ca 0.11 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2i7k h SER 99 Cb 0.41 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2i7k h SER 99 CO 0.01 1.04 0.08 1.23 -1.14 0.00 0.00 176.83 178.05 2i7k h GLY 100 N 0.95 0.20 0.88 -3.77 0.00 -0.41 -1.97 103.07 98.95 2i7k h GLY 100 Ca 0.18 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.46 2i7k h GLY 100 CO 0.02 0.09 0.56 -0.33 0.00 0.00 0.00 176.54 176.87 2i7k h MET 101 N 0.13 1.06 -0.26 4.80 2.86 -1.35 0.36 114.93 122.54 2i7k h MET 101 Ca 0.05 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2i7k h MET 101 Cb 0.06 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2i7k h MET 101 CO -0.01 0.70 0.15 -0.22 1.06 0.00 0.00 176.91 178.60 2i7k h LYS 102 N 1.09 0.35 -0.14 1.72 3.11 -1.23 -2.31 116.57 119.16 2i7k h LYS 102 Ca 0.34 -0.03 -0.17 0.00 -2.81 0.00 0.00 60.65 57.99 2i7k h LYS 102 Cb -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 2i7k h LYS 102 CO -0.11 0.28 -0.60 0.82 -2.81 0.00 0.00 179.45 177.02 2i7k h ILE 103 N 0.32 1.34 -0.08 2.00 2.04 -1.00 -3.04 117.51 119.09 2i7k h ILE 103 Ca 0.09 -1.90 0.02 0.00 1.00 0.00 0.00 64.86 64.07 2i7k h ILE 103 Cb 0.02 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2i7k h ILE 103 CO -0.02 0.58 0.06 -0.07 0.00 0.00 0.00 178.15 178.70 2i7k h LEU 104 N 0.36 0.03 -2.41 1.44 3.38 -0.06 -0.62 115.31 117.44 2i7k h LEU 104 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2i7k h LEU 104 Cb 1.15 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2i7k h LEU 104 CO 0.11 0.02 -0.03 -1.28 0.09 0.00 0.00 178.44 177.35 2i7k h SER 105 N 0.04 0.00 -0.36 -0.43 0.87 -1.30 -1.38 113.55 110.99 2i7k h SER 105 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2i7k h SER 105 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2i7k h SER 105 CO -0.00 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.33 2i7k n GLN 106 N -3.42 3.20 0.05 2.24 6.02 -0.24 -4.12 117.38 121.11 2i7k n GLN 106 Ca -0.02 -1.88 -0.16 0.00 -0.01 0.00 0.00 57.00 54.93 2i7k n GLN 106 Cb 0.14 -1.88 -0.14 0.00 1.02 0.00 0.00 30.24 29.38 2i7k n GLN 106 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2i7k h GLU 107 N 2.46 0.22 -1.58 -1.09 4.39 -1.37 -3.46 114.58 114.15 2i7k h GLU 107 Ca 0.00 -0.38 0.09 0.00 0.34 0.00 0.00 59.36 59.41 2i7k h GLU 107 Cb 1.29 0.14 -0.21 0.00 -0.10 0.00 0.00 28.75 29.88 2i7k h GLU 107 CO 0.26 1.06 -0.16 0.50 -1.16 0.00 0.00 179.01 179.51 2i7k s ARG 108 N -2.61 0.56 -0.32 2.33 6.06 -1.26 -5.06 118.95 118.65 2i7k s ARG 108 Ca -0.10 1.25 0.05 0.00 -2.50 0.00 0.00 55.73 54.44 2i7k s ARG 108 Cb 0.07 0.74 0.18 0.00 0.06 0.00 0.00 34.95 36.00 2i7k s ARG 108 CO 0.84 -0.34 0.53 -1.17 -2.50 0.00 0.00 175.30 172.66 2i7k s LEU 109 N 2.87 -1.26 -0.15 -0.88 1.98 -1.26 -5.04 118.68 114.94 2i7k s LEU 109 Ca 0.04 -0.27 -0.03 0.00 -2.89 0.00 0.00 54.13 50.97 2i7k s LEU 109 Cb -0.13 1.65 0.05 0.00 0.66 0.00 0.00 46.19 48.42 2i7k s LEU 109 CO -0.19 -0.29 0.04 -0.70 -1.89 0.00 0.00 176.35 173.31 2i7k s GLU 110 N 2.48 0.50 -0.25 1.98 2.56 -1.26 -4.98 118.70 119.72 2i7k s GLU 110 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.97 54.88 2i7k s GLU 110 Cb -0.10 -1.65 0.01 0.00 2.00 0.00 0.00 34.13 34.39 2i7k s GLU 110 CO -0.22 -0.53 0.07 0.72 -0.56 0.00 0.00 175.26 174.73 2i7k n HIS 111 N 5.13 -3.80 -3.18 5.30 8.25 -1.26 -4.96 115.22 120.70 2i7k n HIS 111 Ca -0.08 1.85 -0.40 0.00 -0.26 0.00 0.00 57.72 58.83 2i7k n HIS 111 Cb 0.48 -3.78 -0.07 0.00 1.12 0.00 0.00 29.99 27.74 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 -1.23 3.26 0.08 4.41 2.46 -1.26 -4.94 115.29 118.08 2i7k s HIS 112 Ca -0.08 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.13 2i7k s HIS 112 Cb 0.01 -2.79 0.00 0.00 -0.13 0.00 0.00 32.58 29.66 2i7k s HIS 112 CO 0.72 -0.32 0.00 0.72 -2.47 0.00 0.00 174.74 173.39 2i7k n HIS 113 N 5.64 -2.18 -1.10 3.88 8.25 -1.26 -4.87 115.22 123.57 2i7k n HIS 113 Ca -0.03 0.43 -0.29 0.00 -0.26 0.00 0.00 57.72 57.57 2i7k n HIS 113 Cb 0.49 -0.66 0.20 0.00 1.12 0.00 0.00 29.99 31.15 2i7k n HIS 113 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2i7k s HIS 114 N -0.64 1.49 -0.08 4.41 0.09 -1.26 -5.07 115.29 114.24 2i7k s HIS 114 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 55.06 55.88 2i7k s HIS 114 Cb 0.00 -3.32 0.02 0.00 -0.00 0.00 0.00 32.58 29.28 2i7k s HIS 114 CO 0.00 -3.33 -0.07 -3.38 -0.00 0.00 0.00 174.74 167.96 2i7k s HIS 115 N -2.95 1.25 -2.34 1.40 -0.00 -1.26 -5.18 115.29 106.21 2i7k s HIS 115 Ca 0.67 -0.52 0.29 0.00 -0.00 0.00 0.00 55.06 55.50 2i7k s HIS 115 Cb -0.16 -1.04 1.33 0.00 -0.00 0.00 0.00 32.58 32.71 2i7k s HIS 115 CO 0.57 -0.37 1.90 1.58 -0.00 0.00 0.00 174.74 178.42