#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw6 n GLU 2 N 0.00 0.00 -2.50 1.43 0.00 -1.26 -5.03 120.64 113.28 2gw6 n GLU 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 2gw6 n GLU 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 2gw6 n GLU 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2gw6 s ASP 3 N -2.00 6.39 0.00 -1.84 -4.77 -1.26 -4.32 116.67 108.87 2gw6 s ASP 3 Ca 0.00 -1.61 0.00 0.00 -3.30 0.00 0.00 52.55 47.64 2gw6 s ASP 3 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2gw6 s ASP 3 CO 0.00 -1.61 0.00 0.00 0.70 0.00 0.00 175.17 174.26 2gw6 n ALA 4 N 9.49 3.00 0.19 2.11 0.00 -1.26 -3.98 120.51 130.05 2gw6 n ALA 4 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2gw6 n ALA 4 Cb 0.49 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2gw6 n ALA 4 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 2gw6 n TRP 5 N -2.78 0.00 -0.87 0.00 2.14 -1.26 -1.24 117.44 113.44 2gw6 n TRP 5 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 2gw6 n TRP 5 Cb 0.26 -0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.76 2gw6 n TRP 5 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2gw6 n MET 6 N -0.46 0.35 -1.21 -2.67 0.00 -1.26 -5.06 117.12 106.81 2gw6 n MET 6 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 57.70 57.12 2gw6 n MET 6 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 33.22 32.65 2gw6 n MET 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2gw6 n GLY 7 N -0.06 0.74 0.10 3.17 0.00 -0.37 -5.03 105.19 103.75 2gw6 n GLY 7 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.64 2gw6 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gw6 n THR 8 N -0.94 0.66 -1.96 2.61 -2.24 -1.26 -4.79 114.28 106.35 2gw6 n THR 8 Ca 0.00 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.63 2gw6 n THR 8 Cb 0.36 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 2gw6 n THR 8 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2gw6 s HIS 9 N -0.83 2.86 0.23 4.78 3.76 -1.26 -4.84 115.29 119.99 2gw6 s HIS 9 Ca 0.06 0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 55.41 2gw6 s HIS 9 Cb 0.05 -3.91 0.30 0.00 1.11 0.00 0.00 32.58 30.13 2gw6 s HIS 9 CO 0.01 -3.44 1.60 -1.35 -0.85 0.00 0.00 174.74 170.71 2gw6 h PRO 10 N 7.34 -0.01 -0.51 8.40 0.11 -1.96 0.30 132.00 145.67 2gw6 h PRO 10 Ca -0.42 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 2gw6 h PRO 10 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2gw6 h PRO 10 CO 0.91 -0.01 -0.04 0.87 -0.21 0.00 0.00 178.00 179.53 2gw6 h LYS 11 N -0.01 0.92 0.15 1.05 6.56 -1.98 -0.76 116.57 122.50 2gw6 h LYS 11 Ca 0.36 -0.31 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 2gw6 h LYS 11 Cb 0.56 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 2gw6 h LYS 11 CO -0.78 0.96 -0.07 -0.92 -2.06 0.00 0.00 179.45 176.58 2gw6 h TYR 12 N 0.78 -0.18 -0.35 -1.35 3.20 -1.52 0.06 116.97 117.61 2gw6 h TYR 12 Ca 0.14 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2gw6 h TYR 12 Cb 0.58 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 2gw6 h TYR 12 CO 0.04 0.02 0.15 1.25 -1.64 0.00 0.00 178.16 177.98 2gw6 h LEU 13 N -0.36 0.19 -1.35 2.82 5.85 -0.40 0.21 115.31 122.27 2gw6 h LEU 13 Ca -0.02 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.85 2gw6 h LEU 13 Cb 0.29 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2gw6 h LEU 13 CO 0.03 0.15 0.54 -0.33 -0.34 0.00 0.00 178.44 178.49 2gw6 h GLU 14 N 0.31 0.65 -0.03 1.25 4.39 -1.05 -2.48 114.58 117.63 2gw6 h GLU 14 Ca 0.15 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 2gw6 h GLU 14 Cb 0.10 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2gw6 h GLU 14 CO -0.13 0.43 -0.11 1.98 -1.16 0.00 0.00 179.01 180.02 2gw6 h MET 15 N 0.67 0.13 0.00 2.33 4.05 0.53 -3.27 114.93 119.37 2gw6 h MET 15 Ca 0.40 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 2gw6 h MET 15 Cb 0.62 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 2gw6 h MET 15 CO -0.17 0.74 0.00 0.00 0.23 0.00 0.00 176.91 177.71 2gw6 h MET 16 N -0.45 0.00 0.00 0.39 -0.00 -0.26 -0.57 114.93 114.04 2gw6 h MET 16 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2gw6 h MET 16 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 2gw6 h MET 16 CO 0.02 0.00 0.00 -1.91 -0.00 0.00 0.00 176.91 175.02 2gw6 n GLU 17 N -3.08 0.76 -0.41 -0.10 2.13 -0.97 -4.75 120.64 114.23 2gw6 n GLU 17 Ca -0.02 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.50 2gw6 n GLU 17 Cb 0.14 -1.30 0.28 0.00 0.27 0.00 0.00 31.44 30.83 2gw6 n GLU 17 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2gw6 s LEU 18 N -1.59 -0.85 0.00 4.31 2.34 -0.22 -4.91 118.68 117.76 2gw6 s LEU 18 Ca 0.22 0.93 0.22 0.00 0.06 0.00 0.00 54.13 55.56 2gw6 s LEU 18 Cb 0.10 -2.42 1.26 0.00 -0.56 0.00 0.00 46.19 44.56 2gw6 s LEU 18 CO 0.17 -5.22 1.71 0.47 -1.06 0.00 0.00 176.35 172.42 2gw6 n ASP 19 N -5.54 0.00 -3.36 1.48 9.92 -1.26 -4.22 116.55 113.56 2gw6 n ASP 19 Ca 0.11 -0.46 -0.16 0.00 -0.53 0.00 0.00 54.79 53.75 2gw6 n ASP 19 Cb 0.59 -0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.89 2gw6 n ASP 19 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2gw6 s ILE 20 N -2.21 -0.36 -1.11 0.53 1.01 -1.26 -4.69 121.20 113.12 2gw6 s ILE 20 Ca 0.29 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 2gw6 s ILE 20 Cb 0.15 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.89 2gw6 s ILE 20 CO 0.29 -0.55 1.71 -0.83 0.00 0.00 0.00 174.94 175.56 2gw6 s GLY 21 N 1.64 0.97 -0.22 6.18 0.00 -1.26 -4.91 107.32 109.72 2gw6 s GLY 21 Ca 0.15 -2.28 0.02 0.00 0.00 0.00 0.00 44.72 42.61 2gw6 s GLY 21 CO -0.10 3.01 -0.12 -0.35 0.00 0.00 0.00 173.10 175.53 2gw6 s ASP 22 N 5.62 3.83 0.49 1.64 -1.08 -1.26 -5.00 116.67 120.92 2gw6 s ASP 22 Ca 0.57 -1.08 0.20 0.00 -0.52 0.00 0.00 52.55 51.72 2gw6 s ASP 22 Cb -0.00 -1.42 1.24 0.00 -1.46 0.00 0.00 42.92 41.28 2gw6 s ASP 22 CO 0.01 -0.14 2.01 0.00 0.52 0.00 0.00 175.17 177.58 2gw6 h ALA 23 N 7.88 2.25 0.22 3.66 0.00 -1.98 0.25 119.26 131.53 2gw6 h ALA 23 Ca -0.27 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.33 2gw6 h ALA 23 Cb 1.08 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.89 2gw6 h ALA 23 CO 0.50 -0.37 -1.30 1.15 0.00 0.00 0.00 179.25 179.23 2gw6 h THR 24 N 0.15 1.33 0.11 0.00 2.02 -1.99 -2.26 112.91 112.27 2gw6 h THR 24 Ca 0.22 -2.64 -0.00 0.00 0.77 0.00 0.00 66.41 64.75 2gw6 h THR 24 Cb 0.68 3.08 -0.00 0.00 -1.74 0.00 0.00 68.15 70.17 2gw6 h THR 24 CO -0.03 0.78 -0.06 -0.61 0.37 0.00 0.00 175.52 175.97 2gw6 h GLN 25 N -0.01 -0.15 -0.51 6.66 -0.00 -1.72 -1.63 115.11 117.74 2gw6 h GLN 25 Ca -0.23 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.45 2gw6 h GLN 25 Cb 2.02 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 29.51 2gw6 h GLN 25 CO 0.24 -0.10 0.34 -0.39 0.00 0.00 0.00 178.83 178.91 2gw6 h VAL 26 N -0.16 1.09 -0.50 2.39 -1.51 -0.62 0.31 116.25 117.26 2gw6 h VAL 26 Ca -0.01 -0.21 -0.01 0.00 -1.23 0.00 0.00 66.70 65.23 2gw6 h VAL 26 Cb 0.13 0.41 -0.02 0.00 -2.13 0.00 0.00 31.29 29.67 2gw6 h VAL 26 CO 0.02 0.11 0.27 0.22 -1.23 0.00 0.00 177.57 176.97 2gw6 h TYR 27 N 0.63 0.68 -0.09 5.19 3.20 -0.78 0.97 116.97 126.76 2gw6 h TYR 27 Ca 0.20 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2gw6 h TYR 27 Cb 0.02 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.08 2gw6 h TYR 27 CO -0.00 0.50 -0.40 0.28 -1.64 0.00 0.00 178.16 176.90 2gw6 h VAL 28 N 0.66 1.40 -0.88 1.81 2.07 -0.38 -2.35 116.25 118.58 2gw6 h VAL 28 Ca 0.17 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2gw6 h VAL 28 Cb 0.05 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2gw6 h VAL 28 CO -0.03 0.52 0.55 0.00 0.02 0.00 0.00 177.57 178.63 2gw6 h ALA 29 N 0.45 1.32 -0.81 1.67 0.00 -0.37 -1.76 119.26 119.76 2gw6 h ALA 29 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2gw6 h ALA 29 Cb 1.05 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2gw6 h ALA 29 CO 0.08 0.60 0.45 0.35 0.00 0.00 0.00 179.25 180.74 2gw6 h PHE 30 N 1.20 1.11 -0.03 0.00 3.57 -0.74 0.16 116.94 122.21 2gw6 h PHE 30 Ca 0.32 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2gw6 h PHE 30 Cb -0.09 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.29 2gw6 h PHE 30 CO 0.00 0.77 0.02 -0.07 -2.23 0.00 0.00 178.31 176.80 2gw6 h LEU 31 N 1.13 0.04 -0.34 0.59 3.38 -0.78 -0.89 115.31 118.43 2gw6 h LEU 31 Ca 0.29 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 2gw6 h LEU 31 Cb 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2gw6 h LEU 31 CO -0.05 0.04 -0.65 -0.37 0.09 0.00 0.00 178.44 177.51 2gw6 h VAL 32 N 0.03 1.31 -0.30 1.22 -1.51 -1.19 -1.85 116.25 113.96 2gw6 h VAL 32 Ca 0.01 -1.90 0.06 0.00 -1.23 0.00 0.00 66.70 63.65 2gw6 h VAL 32 Cb 0.01 1.86 -0.06 0.00 -2.13 0.00 0.00 31.29 30.97 2gw6 h VAL 32 CO -0.00 0.60 -0.13 0.22 -1.23 0.00 0.00 177.57 177.03 2gw6 h TYR 33 N 0.49 -0.31 0.00 5.19 3.20 -0.53 0.35 116.97 125.37 2gw6 h TYR 33 Ca -0.02 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 2gw6 h TYR 33 Cb 1.24 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 2gw6 h TYR 33 CO 0.06 -0.20 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.07 2gw6 h LEU 34 N -0.08 0.00 0.15 2.82 4.07 -1.11 -2.01 115.31 119.15 2gw6 h LEU 34 Ca 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2gw6 h LEU 34 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 2gw6 h LEU 34 CO -0.35 0.25 -0.07 -0.78 -1.08 0.00 0.00 178.44 176.40 2gw6 h ASP 35 N 0.00 -0.17 -0.73 -0.43 1.82 -0.31 0.06 116.42 116.66 2gw6 h ASP 35 Ca -0.00 -0.38 0.10 0.00 -0.39 0.00 0.00 57.03 56.36 2gw6 h ASP 35 Cb 0.51 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.51 2gw6 h ASP 35 CO 0.03 0.37 0.48 -0.07 -1.61 0.00 0.00 179.24 178.45 2gw6 h LEU 36 N -0.80 0.56 0.06 2.28 3.38 -0.25 0.35 115.31 120.89 2gw6 h LEU 36 Ca -0.02 0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.59 2gw6 h LEU 36 Cb 0.54 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2gw6 h LEU 36 CO 0.03 0.33 -2.21 0.23 0.09 0.00 0.00 178.44 176.92 2gw6 n MET 37 N -4.49 0.71 -0.00 1.13 2.81 -0.77 -0.54 117.12 115.96 2gw6 n MET 37 Ca 0.12 0.20 0.10 0.00 -1.81 0.00 0.00 57.70 56.32 2gw6 n MET 37 Cb 0.35 -1.62 -0.14 0.00 -0.71 0.00 0.00 33.22 31.10 2gw6 n MET 37 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2gw6 n GLU 38 N -3.34 0.33 -0.03 0.03 -0.58 0.01 -2.91 120.64 114.14 2gw6 n GLU 38 Ca -0.37 -0.07 -0.08 0.00 -0.42 0.00 0.00 57.16 56.21 2gw6 n GLU 38 Cb 1.03 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 2gw6 n GLU 38 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2gw6 n SER 39 N -1.78 1.04 0.08 1.62 2.88 0.83 -4.68 113.62 113.61 2gw6 n SER 39 Ca 0.01 0.17 0.13 0.00 -1.33 0.00 0.00 58.87 57.84 2gw6 n SER 39 Cb 0.41 -0.39 0.29 0.00 -0.75 0.00 0.00 64.21 63.77 2gw6 n SER 39 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2gw6 n LYS 40 N -3.64 0.26 -3.05 -1.46 3.00 0.88 -5.00 118.16 109.15 2gw6 n LYS 40 Ca -0.15 0.14 -0.28 0.00 -0.00 0.00 0.00 58.31 58.01 2gw6 n LYS 40 Cb 0.47 -1.73 0.03 0.00 0.00 0.00 0.00 35.03 33.80 2gw6 n LYS 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2gw6 n SER 41 N -2.14 -4.69 -4.99 3.14 7.64 0.30 -4.91 113.62 107.97 2gw6 n SER 41 Ca 0.04 -0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.66 2gw6 n SER 41 Cb 0.43 -1.32 0.02 0.00 -1.01 0.00 0.00 64.21 62.33 2gw6 n SER 41 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2gw6 s TRP 42 N -1.15 2.85 0.16 1.43 0.23 -0.97 -4.98 118.94 116.50 2gw6 s TRP 42 Ca 0.28 -0.19 -0.10 0.00 -2.03 0.00 0.00 56.10 54.06 2gw6 s TRP 42 Cb -0.03 -2.56 0.01 0.00 0.03 0.00 0.00 33.47 30.92 2gw6 s TRP 42 CO 0.63 -0.64 1.55 1.25 0.96 0.00 0.00 176.95 180.70 2gw6 h HIS 43 N 0.35 1.16 -2.20 -1.98 -0.00 -1.58 -3.46 115.15 107.45 2gw6 h HIS 43 Ca -0.41 -0.28 -0.04 0.00 -0.00 0.00 0.00 60.37 59.64 2gw6 h HIS 43 Cb 1.29 -0.27 -0.22 0.00 -0.00 0.00 0.00 27.41 28.20 2gw6 h HIS 43 CO 0.39 1.11 -0.03 -2.00 -0.00 0.00 0.00 177.93 177.40 2gw6 s GLU 44 N -4.68 0.67 -0.02 5.26 2.56 0.05 -4.95 118.70 117.59 2gw6 s GLU 44 Ca -0.11 1.00 -0.01 0.00 0.00 0.00 0.00 54.97 55.85 2gw6 s GLU 44 Cb 0.12 0.21 0.02 0.00 2.00 0.00 0.00 34.13 36.48 2gw6 s GLU 44 CO 0.87 -0.12 0.05 0.08 -0.56 0.00 0.00 175.26 175.57 2gw6 s VAL 45 N 1.03 -0.03 0.22 3.70 1.01 -1.26 -0.98 120.40 124.09 2gw6 s VAL 45 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2gw6 s VAL 45 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2gw6 s VAL 45 CO -0.10 0.04 0.15 0.54 0.00 0.00 0.00 175.10 175.73 2gw6 s ASN 46 N 0.54 0.38 -0.05 3.32 2.20 -0.24 -4.93 114.94 116.16 2gw6 s ASN 46 Ca -0.04 -1.43 0.05 0.00 -0.94 0.00 0.00 52.86 50.49 2gw6 s ASN 46 Cb -0.06 0.39 -0.00 0.00 -2.00 0.00 0.00 41.25 39.58 2gw6 s ASN 46 CO -0.02 -0.86 -0.19 0.00 -2.94 0.00 0.00 177.10 173.09 2gw6 s VAL 48 N 0.03 0.92 -0.15 0.00 1.01 0.03 -4.97 120.40 117.27 2gw6 s VAL 48 Ca -0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2gw6 s VAL 48 Cb -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2gw6 s VAL 48 CO 0.03 0.30 0.14 -0.83 0.00 0.00 0.00 175.10 174.74 2gw6 s GLY 49 N 0.58 2.11 -0.49 4.51 0.00 -1.26 -0.88 107.32 111.89 2gw6 s GLY 49 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 43.98 2gw6 s GLY 49 CO 0.02 -0.14 0.23 1.08 0.00 0.00 0.00 173.10 174.29 2gw6 s LEU 50 N -0.42 4.64 0.57 0.66 2.01 0.56 -4.77 118.68 121.94 2gw6 s LEU 50 Ca 0.12 -2.71 0.32 0.00 0.01 0.00 0.00 54.13 51.87 2gw6 s LEU 50 Cb -0.12 -1.69 1.76 0.00 0.01 0.00 0.00 46.19 46.15 2gw6 s LEU 50 CO 0.02 -0.31 2.19 -0.65 1.01 0.00 0.00 176.35 178.60 2gw6 h PRO 51 N 6.96 0.00 -0.82 1.29 0.11 -1.84 0.99 132.00 138.70 2gw6 h PRO 51 Ca -0.06 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.05 2gw6 h PRO 51 Cb 0.94 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 2gw6 h PRO 51 CO 0.65 0.05 0.53 0.93 -0.21 0.00 0.00 178.00 179.96 2gw6 h GLU 52 N 0.00 1.09 0.00 1.05 5.08 -1.92 -2.80 114.58 117.07 2gw6 h GLU 52 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2gw6 h GLU 52 Cb 0.17 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2gw6 h GLU 52 CO 0.01 0.73 -1.56 1.28 -1.00 0.00 0.00 179.01 178.46 2gw6 n LEU 53 N -4.50 0.41 -1.17 1.33 4.77 -0.93 -4.95 117.00 111.96 2gw6 n LEU 53 Ca 0.08 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.73 2gw6 n LEU 53 Cb 0.02 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2gw6 n LEU 53 CO 0.36 0.10 -0.14 1.67 -1.33 0.00 0.00 177.39 178.06 2gw6 n GLN 54 N -1.93 -0.91 -4.42 3.23 -0.06 0.29 -5.02 117.38 108.56 2gw6 n GLN 54 Ca -0.01 0.75 -0.27 0.00 -2.00 0.00 0.00 57.00 55.48 2gw6 n GLN 54 Cb 0.46 -4.85 -0.12 0.00 -4.06 0.00 0.00 30.24 21.68 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2gw6 s LEU 55 N -3.14 2.46 0.11 1.69 1.02 -0.89 -4.99 118.68 114.93 2gw6 s LEU 55 Ca 0.00 -0.87 0.10 0.00 0.02 0.00 0.00 54.13 53.39 2gw6 s LEU 55 Cb 0.00 -1.18 -0.04 0.00 0.02 0.00 0.00 46.19 44.99 2gw6 s LEU 55 CO 0.00 0.12 -0.26 -0.63 0.02 0.00 0.00 176.35 175.60 2gw6 s ILE 56 N -1.71 2.15 -0.04 -0.59 1.09 -1.26 -0.32 121.20 120.52 2gw6 s ILE 56 Ca 0.21 -1.64 -0.09 0.00 -1.10 0.00 0.00 60.65 58.03 2gw6 s ILE 56 Cb -0.08 -1.89 0.01 0.00 -1.06 0.00 0.00 42.46 39.44 2gw6 s ILE 56 CO 0.10 0.14 0.22 0.00 -0.10 0.00 0.00 174.94 175.30 2gw6 s LEU 58 N -0.80 4.06 -0.04 0.00 1.02 0.03 -0.79 118.68 122.16 2gw6 s LEU 58 Ca -0.09 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.15 2gw6 s LEU 58 Cb -0.05 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 44.06 2gw6 s LEU 58 CO 0.02 0.03 -0.12 -0.69 0.02 0.00 0.00 176.35 175.60 2gw6 s VAL 59 N 1.28 1.06 0.00 -1.59 1.01 -0.58 -1.77 120.40 119.81 2gw6 s VAL 59 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2gw6 s VAL 59 Cb -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.30 2gw6 s VAL 59 CO 0.06 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.09 2gw6 n GLY 60 N 3.28 2.46 3.34 4.51 0.00 -1.23 -1.08 105.19 116.48 2gw6 n GLY 60 Ca -0.19 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 44.35 2gw6 n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gw6 s THR 61 N -2.84 4.99 0.19 2.61 -4.23 -0.15 -3.59 115.64 112.61 2gw6 s THR 61 Ca 0.00 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 2gw6 s THR 61 Cb 0.00 -4.05 0.12 0.00 1.34 0.00 0.00 72.50 69.91 2gw6 s THR 61 CO 0.00 -0.63 1.81 -0.08 -0.54 0.00 0.00 174.62 175.17 2gw6 h GLU 62 N 8.70 0.94 -3.72 3.99 4.81 -1.79 0.18 114.58 127.68 2gw6 h GLU 62 Ca -0.27 -0.11 -0.49 0.00 -0.13 0.00 0.00 59.36 58.35 2gw6 h GLU 62 Cb 1.10 -0.18 -0.39 0.00 0.63 0.00 0.00 28.75 29.91 2gw6 h GLU 62 CO 0.89 0.70 -0.77 0.42 -0.73 0.00 0.00 179.01 179.52 2gw6 s ILE 63 N -5.86 0.58 0.59 2.32 -1.09 -1.26 -3.22 121.20 113.27 2gw6 s ILE 63 Ca -0.13 -0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 57.78 2gw6 s ILE 63 Cb 0.14 -0.89 -0.03 0.00 -1.58 0.00 0.00 42.46 40.10 2gw6 s ILE 63 CO 0.79 0.04 1.30 -0.70 -1.23 0.00 0.00 174.94 175.13 2gw6 s GLU 64 N 1.86 2.88 0.00 2.79 2.12 -1.26 -2.11 118.70 124.98 2gw6 s GLU 64 Ca 0.02 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.42 2gw6 s GLU 64 Cb -0.15 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.22 2gw6 s GLU 64 CO -0.07 -1.35 0.00 0.41 -0.54 0.00 0.00 175.26 173.72 2gw6 n GLY 65 N 0.75 2.50 0.00 -1.50 0.00 -1.26 -5.01 105.19 100.67 2gw6 n GLY 65 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2gw6 n GLY 65 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gw6 n GLU 66 N 0.00 3.24 0.00 1.61 -0.58 -0.89 -5.10 120.64 118.92 2gw6 n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2gw6 n GLU 66 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gw6 n GLY 67 N 5.00 -0.97 2.50 0.62 0.00 -1.26 -4.89 105.19 106.19 2gw6 n GLY 67 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 2gw6 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gw6 s LEU 68 N 0.00 0.82 -0.24 0.99 1.02 -1.26 -4.88 118.68 115.14 2gw6 s LEU 68 Ca 0.00 -1.81 -0.05 0.00 0.02 0.00 0.00 54.13 52.29 2gw6 s LEU 68 Cb 0.00 -0.39 0.12 0.00 0.02 0.00 0.00 46.19 45.95 2gw6 s LEU 68 CO 0.00 -0.36 0.45 -1.58 0.02 0.00 0.00 176.35 174.88 2gw6 s GLN 69 N 1.50 0.39 -0.25 1.70 2.00 -1.24 -4.52 119.66 119.25 2gw6 s GLN 69 Ca 0.14 0.89 0.00 0.00 -2.00 0.00 0.00 55.36 54.40 2gw6 s GLN 69 Cb -0.20 0.13 0.07 0.00 0.80 0.00 0.00 33.01 33.80 2gw6 s GLN 69 CO -0.15 -0.44 -0.01 0.99 -0.50 0.00 0.00 175.29 175.18 2gw6 s THR 70 N 2.65 1.39 -0.07 -0.34 2.01 -1.26 -3.58 115.64 116.44 2gw6 s THR 70 Ca 0.06 -1.27 0.04 0.00 0.31 0.00 0.00 61.69 60.83 2gw6 s THR 70 Cb -0.14 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.61 2gw6 s THR 70 CO -0.16 -0.24 -0.19 0.68 -0.69 0.00 0.00 174.62 174.03 2gw6 s VAL 71 N 1.44 1.59 -0.06 3.82 -7.23 -0.73 -0.42 120.40 118.81 2gw6 s VAL 71 Ca -0.02 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.39 2gw6 s VAL 71 Cb -0.18 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.39 2gw6 s VAL 71 CO -0.09 0.46 -0.05 0.54 -0.31 0.00 0.00 175.10 175.64 2gw6 s VAL 72 N 0.28 0.65 0.22 1.32 0.11 -0.99 -0.79 120.40 121.20 2gw6 s VAL 72 Ca -0.11 -0.15 -0.31 0.00 -2.93 0.00 0.00 61.98 58.47 2gw6 s VAL 72 Cb -0.15 -0.68 -0.12 0.00 -1.53 0.00 0.00 36.38 33.90 2gw6 s VAL 72 CO 0.05 0.27 1.67 -2.16 -3.33 0.00 0.00 175.10 171.60 2gw6 s PRO 73 N 1.15 4.14 -0.06 1.54 0.04 -1.26 -2.12 135.00 138.42 2gw6 s PRO 73 Ca -0.07 2.57 -0.02 0.00 0.04 0.00 0.00 61.00 63.51 2gw6 s PRO 73 Cb -0.14 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.37 2gw6 s PRO 73 CO -0.01 -0.70 0.12 0.99 0.04 0.00 0.00 177.00 177.43 2gw6 s THR 74 N 0.90 -0.13 0.66 1.26 2.01 0.34 -4.91 115.64 115.77 2gw6 s THR 74 Ca 0.71 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.83 2gw6 s THR 74 Cb -0.48 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 2gw6 s THR 74 CO 0.35 0.12 1.21 -2.16 -0.69 0.00 0.00 174.62 173.45 2gw6 s PRO 75 N 1.69 2.59 0.52 4.92 0.04 -1.26 -1.29 135.00 142.21 2gw6 s PRO 75 Ca -0.03 1.78 0.35 0.00 0.04 0.00 0.00 61.00 63.14 2gw6 s PRO 75 Cb -0.12 -1.89 1.87 0.00 0.04 0.00 0.00 34.50 34.40 2gw6 s PRO 75 CO -0.05 -1.49 2.07 0.97 0.04 0.00 0.00 177.00 178.54 2gw6 h ILE 76 N 0.31 0.00 0.00 0.56 -0.00 -1.33 -3.34 117.51 113.71 2gw6 h ILE 76 Ca -0.49 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.33 2gw6 h ILE 76 Cb 1.30 0.84 0.00 0.00 -0.00 0.00 0.00 36.82 38.95 2gw6 h ILE 76 CO 0.53 0.00 0.00 0.35 -0.00 0.00 0.00 178.15 179.03 2gw6 n THR 77 N -2.75 0.00 -0.48 2.19 -2.24 -1.26 -5.02 114.28 104.72 2gw6 n THR 77 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2gw6 n THR 77 Cb 0.08 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gw6 n ALA 78 N -3.00 0.00 -3.54 6.98 0.00 -1.25 -4.81 120.51 114.89 2gw6 n ALA 78 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2gw6 n ALA 78 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2gw6 n ALA 78 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gw6 s SER 79 N -4.00 0.09 0.73 0.00 1.04 -1.26 -5.12 113.70 105.18 2gw6 s SER 79 Ca 0.00 0.60 -0.07 0.00 0.48 0.00 0.00 55.95 56.96 2gw6 s SER 79 Cb 0.00 1.13 0.09 0.00 0.10 0.00 0.00 66.02 67.33 2gw6 s SER 79 CO 0.00 -0.26 1.04 -0.22 0.98 0.00 0.00 173.24 174.78 2gw6 s LEU 80 N 2.55 2.84 -0.02 2.42 2.96 -1.26 -5.01 118.68 123.16 2gw6 s LEU 80 Ca 0.05 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.96 2gw6 s LEU 80 Cb -0.13 -2.83 0.10 0.00 0.50 0.00 0.00 46.19 43.83 2gw6 s LEU 80 CO -0.13 -1.77 0.90 -0.94 -1.32 0.00 0.00 176.35 173.09 2gw6 s SER 81 N -4.59 -0.36 0.61 3.68 1.04 -1.26 -4.93 113.70 107.89 2gw6 s SER 81 Ca 0.63 0.02 0.36 0.00 0.48 0.00 0.00 55.95 57.44 2gw6 s SER 81 Cb -0.09 0.38 2.02 0.00 0.10 0.00 0.00 66.02 68.42 2gw6 s SER 81 CO 0.45 -0.60 2.27 1.12 0.98 0.00 0.00 173.24 177.46 2gw6 h HIS 82 N 2.03 0.00 -0.02 5.02 2.07 -1.99 -1.19 115.15 121.06 2gw6 h HIS 82 Ca -0.22 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.24 2gw6 h HIS 82 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2gw6 h HIS 82 CO 0.26 0.02 -0.25 -0.97 -3.07 0.00 0.00 177.93 173.91 2gw6 h ASN 83 N 0.00 0.25 -0.53 3.10 -0.00 -1.99 -2.82 115.58 113.59 2gw6 h ASN 83 Ca -0.00 -0.74 -0.00 0.00 -0.00 0.00 0.00 56.30 55.56 2gw6 h ASN 83 Cb 0.08 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.30 2gw6 h ASN 83 CO 0.00 0.95 0.32 -0.09 -0.00 0.00 0.00 177.43 178.61 2gw6 h ARG 84 N -0.43 0.72 -0.42 6.67 1.12 -1.71 -2.03 114.38 118.31 2gw6 h ARG 84 Ca -0.03 -0.07 -0.09 0.00 -1.11 0.00 0.00 59.98 58.69 2gw6 h ARG 84 Cb 0.98 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.77 2gw6 h ARG 84 CO 0.05 0.53 -0.09 -0.84 -3.11 0.00 0.00 179.97 176.51 2gw6 h ILE 85 N 0.71 1.25 -0.38 1.20 -0.00 -1.35 -2.16 117.51 116.78 2gw6 h ILE 85 Ca 0.19 -1.12 -0.01 0.00 -0.00 0.00 0.00 64.86 63.92 2gw6 h ILE 85 Cb -0.00 1.02 -0.02 0.00 -0.00 0.00 0.00 36.82 37.82 2gw6 h ILE 85 CO -0.03 0.38 0.17 -0.09 -0.00 0.00 0.00 178.15 178.58 2gw6 h ARG 86 N 0.68 0.53 -0.05 0.16 9.65 -1.17 -1.08 114.38 123.10 2gw6 h ARG 86 Ca 0.12 -0.06 -0.20 0.00 -1.10 0.00 0.00 59.98 58.74 2gw6 h ARG 86 Cb 0.55 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 2gw6 h ARG 86 CO 0.03 0.42 -0.81 0.93 2.80 0.00 0.00 179.97 183.34 2gw6 h GLU 87 N 0.53 0.43 -0.38 0.20 5.08 -0.91 -2.78 114.58 116.74 2gw6 h GLU 87 Ca 0.13 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2gw6 h GLU 87 Cb 0.07 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2gw6 h GLU 87 CO -0.02 1.04 0.19 0.82 -1.00 0.00 0.00 179.01 180.04 2gw6 h ILE 88 N 0.28 1.17 -0.55 3.13 2.04 -0.65 -2.12 117.51 120.80 2gw6 h ILE 88 Ca -0.05 -0.47 0.11 0.00 1.00 0.00 0.00 64.86 65.45 2gw6 h ILE 88 Cb 1.42 0.77 -0.10 0.00 -0.74 0.00 0.00 36.82 38.17 2gw6 h ILE 88 CO 0.14 0.18 -0.04 -0.07 0.00 0.00 0.00 178.15 178.36 2gw6 h LEU 89 N 0.48 -0.33 -0.72 1.44 3.38 -1.19 -1.05 115.31 117.32 2gw6 h LEU 89 Ca 0.13 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.31 2gw6 h LEU 89 Cb 0.11 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2gw6 h LEU 89 CO -0.02 -0.12 0.42 0.11 0.09 0.00 0.00 178.44 178.92 2gw6 h LYS 90 N 0.08 0.74 0.66 1.13 1.57 -1.15 0.77 116.57 120.37 2gw6 h LYS 90 Ca 0.28 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2gw6 h LYS 90 Cb 0.44 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.59 2gw6 h LYS 90 CO -0.50 0.49 -0.32 0.00 -0.57 0.00 0.00 179.45 178.55 2gw6 h ALA 91 N 1.37 -0.89 -0.39 3.86 0.00 -0.60 -2.43 119.26 120.18 2gw6 h ALA 91 Ca 0.32 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2gw6 h ALA 91 Cb 0.20 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2gw6 h ALA 91 CO -0.19 -0.99 -0.25 0.66 0.00 0.00 0.00 179.25 178.48 2gw6 h SER 92 N -0.91 0.83 0.07 0.00 4.64 -1.13 -2.61 113.55 114.43 2gw6 h SER 92 Ca -0.09 -0.32 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 2gw6 h SER 92 Cb 0.69 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2gw6 h SER 92 CO 0.15 1.04 -0.28 0.08 -0.87 0.00 0.00 176.83 176.96 2gw6 h ARG 93 N 0.70 0.33 -0.01 4.77 0.11 -0.81 0.46 114.38 119.92 2gw6 h ARG 93 Ca 0.09 -0.12 -0.16 0.00 0.10 0.00 0.00 59.98 59.89 2gw6 h ARG 93 Cb 0.78 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.82 2gw6 h ARG 93 CO 0.06 0.58 -0.73 -0.22 0.10 0.00 0.00 179.97 179.77 2gw6 h LYS 94 N 0.29 0.05 0.20 0.08 3.11 -1.27 0.20 116.57 119.23 2gw6 h LYS 94 Ca 0.04 -0.04 -0.34 0.00 -2.81 0.00 0.00 60.65 57.50 2gw6 h LYS 94 Cb 0.64 0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.90 2gw6 h LYS 94 CO 0.05 0.75 -1.63 -0.07 -2.81 0.00 0.00 179.45 175.74 2gw6 h LEU 95 N 0.03 0.65 0.01 5.20 -0.00 -1.06 -3.40 115.31 116.74 2gw6 h LEU 95 Ca -0.01 -0.86 -0.26 0.00 -0.00 0.00 0.00 57.88 56.75 2gw6 h LEU 95 Cb 1.28 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.69 2gw6 h LEU 95 CO 0.10 1.71 -1.43 1.56 -0.00 0.00 0.00 178.44 180.37 2gw6 h GLN 96 N 0.11 0.03 0.00 1.13 4.20 -0.09 -3.49 115.11 117.00 2gw6 h GLN 96 Ca -0.30 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2gw6 h GLN 96 Cb 2.11 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.91 2gw6 h GLN 96 CO 0.21 0.75 0.00 0.41 -0.67 0.00 0.00 178.83 179.52 2gw6 n GLY 97 N 1.50 0.70 3.04 3.46 0.00 0.61 -5.02 105.19 109.48 2gw6 n GLY 97 Ca -0.11 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 2gw6 n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gw6 s ASP 98 N -1.04 0.69 0.00 1.61 1.01 -0.56 -5.05 116.67 113.33 2gw6 s ASP 98 Ca 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2gw6 s ASP 98 Cb 0.00 0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.99 2gw6 s ASP 98 CO 0.00 -0.24 0.00 -0.81 0.21 0.00 0.00 175.17 174.33 2gw6 n PRO 99 N 1.45 2.52 -0.56 8.23 -0.04 -1.26 -4.51 135.00 140.83 2gw6 n PRO 99 Ca -0.23 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.91 2gw6 n PRO 99 Cb 0.55 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.94 2gw6 n PRO 99 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gw6 n ASP 100 N 0.00 1.51 -3.94 3.54 2.03 -1.26 -4.83 116.55 113.60 2gw6 n ASP 100 Ca 0.00 -2.41 -0.12 0.00 0.52 0.00 0.00 54.79 52.77 2gw6 n ASP 100 Cb 0.00 -0.70 -0.13 0.00 -0.72 0.00 0.00 41.12 39.57 2gw6 n ASP 100 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2gw6 s LEU 101 N 0.27 2.09 -0.25 -2.67 2.34 -1.26 -5.11 118.68 114.09 2gw6 s LEU 101 Ca 0.48 -0.21 -0.28 0.00 0.06 0.00 0.00 54.13 54.18 2gw6 s LEU 101 Cb 0.11 -0.06 -0.04 0.00 -0.56 0.00 0.00 46.19 45.65 2gw6 s LEU 101 CO 0.18 -0.08 1.97 -2.84 -1.06 0.00 0.00 176.35 174.52 2gw6 s PRO 102 N -0.58 3.32 0.00 1.48 0.02 -1.26 -4.98 135.00 133.01 2gw6 s PRO 102 Ca -0.05 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.74 2gw6 s PRO 102 Cb -0.04 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.22 2gw6 s PRO 102 CO -0.00 -1.87 0.00 -0.12 -0.33 0.00 0.00 177.00 174.67 2gw6 n MET 103 N 8.47 0.82 -4.17 5.54 1.56 -1.26 -4.81 117.12 123.27 2gw6 n MET 103 Ca 0.25 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.58 2gw6 n MET 103 Cb 0.46 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.73 2gw6 n MET 103 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2gw6 s SER 104 N -1.00 1.10 0.18 6.12 0.15 -1.26 -3.82 113.70 115.17 2gw6 s SER 104 Ca 0.00 -1.01 -0.21 0.00 0.70 0.00 0.00 55.95 55.44 2gw6 s SER 104 Cb 0.00 0.10 0.05 0.00 -1.71 0.00 0.00 66.02 64.46 2gw6 s SER 104 CO 0.00 -0.48 0.58 0.72 1.20 0.00 0.00 173.24 175.26 2gw6 s PHE 105 N -3.64 -0.34 -0.17 3.44 -0.12 -1.12 -4.61 117.98 111.42 2gw6 s PHE 105 Ca 0.12 0.05 -0.05 0.00 -0.05 0.00 0.00 56.93 56.99 2gw6 s PHE 105 Cb 0.05 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 2gw6 s PHE 105 CO -0.05 -0.91 -0.00 0.99 -0.05 0.00 0.00 175.22 175.20 2gw6 s THR 106 N -3.81 4.22 -0.12 -4.49 2.01 0.44 -2.45 115.64 111.43 2gw6 s THR 106 Ca 0.05 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 2gw6 s THR 106 Cb -0.01 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 2gw6 s THR 106 CO -0.07 0.48 0.93 -0.76 -0.69 0.00 0.00 174.62 174.51 2gw6 s LEU 107 N 0.37 4.23 -0.56 4.42 1.43 0.66 -2.35 118.68 126.87 2gw6 s LEU 107 Ca -0.01 1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 54.32 2gw6 s LEU 107 Cb -0.13 -3.43 0.13 0.00 0.03 0.00 0.00 46.19 42.79 2gw6 s LEU 107 CO 0.02 -0.41 0.54 0.00 0.23 0.00 0.00 176.35 176.72 2gw6 s ALA 108 N 1.99 3.64 -0.35 4.21 0.00 -0.90 -0.86 121.76 129.48 2gw6 s ALA 108 Ca 0.44 -2.53 -0.19 0.00 0.00 0.00 0.00 51.96 49.69 2gw6 s ALA 108 Cb -0.18 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 2gw6 s ALA 108 CO 0.16 -2.08 0.55 0.42 0.00 0.00 0.00 175.76 174.81 2gw6 s ILE 109 N 1.69 4.98 -0.33 0.00 1.01 0.12 -0.50 121.20 128.17 2gw6 s ILE 109 Ca 0.05 0.40 -0.09 0.00 0.00 0.00 0.00 60.65 61.01 2gw6 s ILE 109 Cb -0.28 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.20 2gw6 s ILE 109 CO 0.03 -0.24 0.16 0.54 0.00 0.00 0.00 174.94 175.42 2gw6 s VAL 110 N 2.47 4.45 0.57 2.92 0.11 -0.41 0.50 120.40 131.02 2gw6 s VAL 110 Ca 0.20 -0.65 -0.16 0.00 -2.93 0.00 0.00 61.98 58.43 2gw6 s VAL 110 Cb -0.15 -3.36 -0.05 0.00 -1.53 0.00 0.00 36.38 31.29 2gw6 s VAL 110 CO 0.14 -0.05 1.05 -0.70 -3.33 0.00 0.00 175.10 172.20 2gw6 s GLU 111 N 1.56 3.44 0.32 1.54 -6.30 0.11 -0.86 118.70 118.52 2gw6 s GLU 111 Ca 0.03 1.20 0.05 0.00 -2.50 0.00 0.00 54.97 53.75 2gw6 s GLU 111 Cb -0.18 -2.05 0.68 0.00 0.00 0.00 0.00 34.13 32.58 2gw6 s GLU 111 CO 0.06 -0.71 1.87 0.66 0.02 0.00 0.00 175.26 177.15 2gw6 h SER 112 N 0.61 0.79 -0.12 -1.70 4.64 -1.97 -2.50 113.55 113.29 2gw6 h SER 112 Ca -0.47 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 2gw6 h SER 112 Cb 1.22 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2gw6 h SER 112 CO 0.58 0.43 -0.06 -0.78 -0.87 0.00 0.00 176.83 176.13 2gw6 h ASP 113 N 0.85 0.26 0.00 4.97 3.58 -2.04 -3.47 116.42 120.57 2gw6 h ASP 113 Ca 0.45 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2gw6 h ASP 113 Cb 0.55 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2gw6 h ASP 113 CO -0.21 0.62 0.00 -0.24 -2.88 0.00 0.00 179.24 176.52 2gw6 n SER 114 N -4.69 0.00 -4.55 2.28 2.88 -0.94 -5.12 113.62 103.47 2gw6 n SER 114 Ca -0.06 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.00 2gw6 n SER 114 Cb 0.28 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.69 2gw6 n SER 114 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2gw6 n THR 115 N 0.00 0.33 -3.56 2.46 -1.04 -1.25 -4.69 114.28 106.52 2gw6 n THR 115 Ca 0.00 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.05 61.36 2gw6 n THR 115 Cb 0.00 -1.95 -0.09 0.00 -1.82 0.00 0.00 70.33 66.47 2gw6 n THR 115 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2gw6 s ILE 116 N 6.78 5.31 -0.26 12.58 1.01 -1.26 0.09 121.20 145.45 2gw6 s ILE 116 Ca 1.03 0.38 0.03 0.00 0.00 0.00 0.00 60.65 62.09 2gw6 s ILE 116 Cb -0.67 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.27 2gw6 s ILE 116 CO 0.46 0.32 -0.11 -0.69 0.00 0.00 0.00 174.94 174.92 2gw6 s VAL 117 N 1.06 2.22 -0.25 2.92 1.01 0.18 -4.94 120.40 122.61 2gw6 s VAL 117 Ca 0.12 -1.57 -0.26 0.00 0.00 0.00 0.00 61.98 60.27 2gw6 s VAL 117 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.96 2gw6 s VAL 117 CO 0.05 0.00 0.91 -0.31 0.00 0.00 0.00 175.10 175.75 2gw6 s TYR 118 N 1.12 3.30 -0.10 5.22 1.51 -1.26 -0.70 117.35 126.45 2gw6 s TYR 118 Ca -0.08 1.22 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 2gw6 s TYR 118 Cb -0.20 -3.17 0.01 0.00 -0.11 0.00 0.00 41.96 38.50 2gw6 s TYR 118 CO -0.05 -0.46 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.30 2gw6 s TYR 119 N 3.01 1.98 -0.06 2.71 5.04 -0.04 -4.95 117.35 125.04 2gw6 s TYR 119 Ca 0.38 -0.89 -0.23 0.00 -2.44 0.00 0.00 57.07 53.89 2gw6 s TYR 119 Cb -0.15 -1.41 -0.04 0.00 0.35 0.00 0.00 41.96 40.71 2gw6 s TYR 119 CO 0.08 -0.44 0.70 0.15 -1.34 0.00 0.00 175.55 174.69 2gw6 s LYS 120 N 0.85 4.44 -0.02 4.97 -0.14 -1.26 -0.25 119.74 128.33 2gw6 s LYS 120 Ca -0.09 0.88 0.04 0.00 -1.36 0.00 0.00 55.97 55.44 2gw6 s LYS 120 Cb -0.15 -3.44 -0.01 0.00 -1.68 0.00 0.00 37.83 32.54 2gw6 s LYS 120 CO 0.01 0.07 -0.14 -1.17 -0.76 0.00 0.00 175.35 173.36 2gw6 s LEU 121 N 0.77 1.98 0.06 3.17 0.20 -1.03 -4.98 118.68 118.85 2gw6 s LEU 121 Ca 0.37 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.95 2gw6 s LEU 121 Cb -0.18 -0.77 -0.03 0.00 -0.43 0.00 0.00 46.19 44.79 2gw6 s LEU 121 CO 0.18 0.16 -0.08 0.28 -0.29 0.00 0.00 176.35 176.60 2gw6 s THR 122 N -0.21 0.65 -0.44 3.68 -1.32 -1.26 -2.80 115.64 113.94 2gw6 s THR 122 Ca 0.03 -1.28 0.03 0.00 -1.21 0.00 0.00 61.69 59.27 2gw6 s THR 122 Cb -0.07 -0.88 0.03 0.00 -1.51 0.00 0.00 72.50 70.07 2gw6 s THR 122 CO 0.00 -0.46 0.61 -0.67 -2.21 0.00 0.00 174.62 171.89