#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 0.51 -2.55 -1.46 0.00 -1.26 -4.86 120.64 111.02 2gw6 n GLU 2 Ca 0.00 0.20 -0.41 0.00 0.00 0.00 0.00 57.16 56.95 2gw6 n GLU 2 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 31.44 30.04 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 -6.95 6.27 -0.33 -1.84 -4.77 -1.26 -4.73 116.67 103.07 2gw6 s ASP 3 Ca -0.33 -0.78 -0.08 0.00 -3.30 0.00 0.00 52.55 48.07 2gw6 s ASP 3 Cb 0.12 -2.56 0.19 0.00 -1.09 0.00 0.00 42.92 39.57 2gw6 s ASP 3 CO 0.44 -1.73 1.00 0.00 0.70 0.00 0.00 175.17 175.58 2gw6 s ALA 4 N 5.49 -4.15 0.31 2.11 0.00 -1.26 -4.72 121.76 119.55 2gw6 s ALA 4 Ca 0.39 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.55 2gw6 s ALA 4 Cb -0.05 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2gw6 s ALA 4 CO 0.07 -2.38 0.00 0.91 0.00 0.00 0.00 175.76 174.36 2gw6 n TRP 5 N 4.08 -3.18 -3.44 0.00 7.02 -1.26 -5.06 117.44 115.60 2gw6 n TRP 5 Ca 0.07 0.84 -0.16 0.00 -1.02 0.00 0.00 57.50 57.22 2gw6 n TRP 5 Cb 0.61 1.93 -0.11 0.00 -2.42 0.00 0.00 31.31 31.32 2gw6 n TRP 5 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2gw6 s MET 6 N -1.80 0.26 0.00 -0.99 0.23 -1.26 -4.99 119.30 110.75 2gw6 s MET 6 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 55.69 54.81 2gw6 s MET 6 Cb 0.00 -0.91 0.00 0.00 -1.53 0.00 0.00 34.83 32.39 2gw6 s MET 6 CO 0.00 -0.77 0.00 0.41 -2.03 0.00 0.00 175.02 172.63 2gw6 n GLY 7 N 5.32 2.69 2.80 3.16 0.00 -1.26 -4.71 105.19 113.19 2gw6 n GLY 7 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.00 -3.34 2.61 -2.24 -1.26 -4.98 114.28 105.07 2gw6 n THR 8 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 2gw6 n THR 8 Cb 0.00 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.28 3.22 0.30 4.78 3.76 -1.26 -4.97 115.29 118.83 2gw6 s HIS 9 Ca 0.00 0.21 0.05 0.00 -0.15 0.00 0.00 55.06 55.17 2gw6 s HIS 9 Cb 0.00 -2.71 0.74 0.00 1.11 0.00 0.00 32.58 31.72 2gw6 s HIS 9 CO 0.00 -0.39 1.72 -1.35 -0.85 0.00 0.00 174.74 173.88 2gw6 h PRO 10 N 8.34 0.50 -0.51 8.40 0.11 -1.98 0.28 132.00 147.14 2gw6 h PRO 10 Ca -0.30 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 2gw6 h PRO 10 Cb 1.14 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2gw6 h PRO 10 CO 0.70 0.33 -0.10 0.87 -0.21 0.00 0.00 178.00 179.59 2gw6 h LYS 11 N 0.52 0.95 -0.24 1.05 1.57 -1.98 0.16 116.57 118.59 2gw6 h LYS 11 Ca 0.57 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 2gw6 h LYS 11 Cb 1.03 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 2gw6 h LYS 11 CO -0.47 1.00 -0.29 -0.92 -0.57 0.00 0.00 179.45 178.20 2gw6 h TYR 12 N 0.85 0.75 -0.71 -1.35 3.20 -1.49 -2.09 116.97 116.12 2gw6 h TYR 12 Ca 0.14 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 2gw6 h TYR 12 Cb 0.64 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2gw6 h TYR 12 CO 0.04 0.96 0.29 1.25 -1.64 0.00 0.00 178.16 179.06 2gw6 h LEU 13 N 0.32 0.98 -1.40 2.82 5.85 -0.36 -0.31 115.31 123.21 2gw6 h LEU 13 Ca 0.03 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.73 2gw6 h LEU 13 Cb 0.86 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2gw6 h LEU 13 CO 0.07 0.88 0.55 -0.08 -0.34 0.00 0.00 178.44 179.51 2gw6 h GLU 14 N 1.02 0.58 -0.04 1.25 4.81 -0.60 0.23 114.58 121.83 2gw6 h GLU 14 Ca 0.24 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 2gw6 h GLU 14 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2gw6 h GLU 14 CO -0.02 0.38 -0.65 1.98 -0.73 0.00 0.00 179.01 179.97 2gw6 h MET 15 N 0.59 0.16 0.00 1.92 4.05 -0.48 -2.95 114.93 118.23 2gw6 h MET 15 Ca 0.41 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 2gw6 h MET 15 Cb 0.75 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.57 2gw6 h MET 15 CO -0.17 0.76 -0.04 0.52 0.23 0.00 0.00 176.91 178.21 2gw6 h MET 16 N 0.11 0.00 0.00 0.39 2.86 0.66 -0.92 114.93 118.03 2gw6 h MET 16 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2gw6 h MET 16 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2gw6 h MET 16 CO 0.10 0.04 0.00 0.39 1.06 0.00 0.00 176.91 178.50 2gw6 n GLU 17 N -3.32 0.04 -2.73 1.72 -0.58 -0.94 -4.48 120.64 110.35 2gw6 n GLU 17 Ca -0.02 0.42 -0.42 0.00 -0.42 0.00 0.00 57.16 56.72 2gw6 n GLU 17 Cb 0.18 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.42 2gw6 n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2gw6 s LEU 18 N -3.36 4.27 -0.75 -4.62 1.43 -0.35 -4.99 118.68 110.31 2gw6 s LEU 18 Ca 0.03 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.50 2gw6 s LEU 18 Cb 0.05 -3.51 0.20 0.00 0.03 0.00 0.00 46.19 42.96 2gw6 s LEU 18 CO 0.16 -0.38 0.69 1.51 0.23 0.00 0.00 176.35 178.56 2gw6 s ASP 19 N 1.07 6.56 0.14 2.29 -4.77 -1.26 -4.62 116.67 116.07 2gw6 s ASP 19 Ca 0.48 -2.51 0.00 0.00 -3.30 0.00 0.00 52.55 47.22 2gw6 s ASP 19 Cb -0.19 -2.19 0.00 0.00 -1.09 0.00 0.00 42.92 39.45 2gw6 s ASP 19 CO 0.20 -0.62 0.00 -0.38 0.70 0.00 0.00 175.17 175.07 2gw6 n ILE 20 N 4.21 0.57 0.00 2.11 5.41 -1.26 -4.83 119.36 125.57 2gw6 n ILE 20 Ca 0.08 0.19 0.00 0.00 1.00 0.00 0.00 62.75 64.01 2gw6 n ILE 20 Cb 0.45 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 2gw6 n ILE 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gw6 n GLY 21 N 2.60 1.25 2.86 7.39 0.00 -1.26 -5.09 105.19 112.94 2gw6 n GLY 21 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2gw6 n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gw6 s ASP 22 N -2.00 3.64 0.39 1.61 -1.08 -1.26 -4.98 116.67 112.99 2gw6 s ASP 22 Ca 0.00 -1.17 0.18 0.00 -0.52 0.00 0.00 52.55 51.04 2gw6 s ASP 22 Cb 0.00 -0.99 0.81 0.00 -1.46 0.00 0.00 42.92 41.28 2gw6 s ASP 22 CO 0.00 -0.28 1.81 0.00 0.52 0.00 0.00 175.17 177.22 2gw6 h ALA 23 N 8.04 1.15 -0.10 3.66 0.00 -1.99 -2.19 119.26 127.83 2gw6 h ALA 23 Ca -0.16 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 2gw6 h ALA 23 Cb 1.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2gw6 h ALA 23 CO 0.40 0.43 -0.55 1.15 0.00 0.00 0.00 179.25 180.68 2gw6 h THR 24 N 0.00 1.36 0.11 0.00 2.02 -1.99 -2.46 112.91 111.94 2gw6 h THR 24 Ca -0.00 -1.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 2gw6 h THR 24 Cb 0.75 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2gw6 h THR 24 CO 0.04 0.56 -0.05 1.56 0.37 0.00 0.00 175.52 178.01 2gw6 h GLN 25 N 0.16 -0.14 -0.73 6.66 1.08 -1.93 -0.89 115.11 119.32 2gw6 h GLN 25 Ca -0.04 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2gw6 h GLN 25 Cb 1.20 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.62 2gw6 h GLN 25 CO 0.11 -0.02 0.48 -0.39 -0.95 0.00 0.00 178.83 178.07 2gw6 h VAL 26 N -0.23 1.11 0.15 -0.54 -1.51 -1.46 0.37 116.25 114.14 2gw6 h VAL 26 Ca -0.01 -0.31 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 2gw6 h VAL 26 Cb 0.19 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.49 2gw6 h VAL 26 CO 0.02 0.16 -0.07 0.22 -1.23 0.00 0.00 177.57 176.67 2gw6 h TYR 27 N 0.89 -0.19 -0.16 5.19 3.20 -1.19 -1.51 116.97 123.21 2gw6 h TYR 27 Ca 0.29 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 62.00 2gw6 h TYR 27 Cb 0.05 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2gw6 h TYR 27 CO -0.00 0.17 -0.56 0.28 -1.64 0.00 0.00 178.16 176.41 2gw6 h VAL 28 N -0.57 1.33 -0.60 1.81 2.07 -0.89 -2.13 116.25 117.28 2gw6 h VAL 28 Ca -0.02 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 2gw6 h VAL 28 Cb 0.44 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 2gw6 h VAL 28 CO 0.03 0.56 0.23 0.00 0.02 0.00 0.00 177.57 178.41 2gw6 h ALA 29 N 1.03 0.78 -0.58 1.67 0.00 -0.31 -1.56 119.26 120.28 2gw6 h ALA 29 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.76 2gw6 h ALA 29 Cb 1.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2gw6 h ALA 29 CO 0.10 0.40 0.37 0.35 0.00 0.00 0.00 179.25 180.47 2gw6 h PHE 30 N 0.83 0.69 -0.66 0.00 3.57 -0.97 0.33 116.94 120.74 2gw6 h PHE 30 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2gw6 h PHE 30 Cb 0.22 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 2gw6 h PHE 30 CO 0.01 0.41 0.38 -0.07 -2.23 0.00 0.00 178.31 176.82 2gw6 h LEU 31 N 0.74 0.80 -0.01 0.59 -0.00 -1.06 -0.31 115.31 116.06 2gw6 h LEU 31 Ca 0.22 -0.07 -0.25 0.00 -0.00 0.00 0.00 57.88 57.78 2gw6 h LEU 31 Cb -0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2gw6 h LEU 31 CO -0.07 0.64 -1.11 -0.37 -0.00 0.00 0.00 178.44 177.53 2gw6 h VAL 32 N 0.89 1.45 -0.30 1.22 -1.51 -0.93 -1.65 116.25 115.42 2gw6 h VAL 32 Ca 0.23 -2.78 0.06 0.00 -1.23 0.00 0.00 66.70 62.99 2gw6 h VAL 32 Cb -0.00 2.71 -0.06 0.00 -2.13 0.00 0.00 31.29 31.81 2gw6 h VAL 32 CO -0.04 0.82 -0.09 0.22 -1.23 0.00 0.00 177.57 177.24 2gw6 h TYR 33 N 0.14 -0.20 0.00 5.19 3.20 -0.16 0.17 116.97 125.31 2gw6 h TYR 33 Ca -0.11 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 2gw6 h TYR 33 Cb 1.79 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 40.19 2gw6 h TYR 33 CO 0.06 -0.15 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.08 2gw6 h LEU 34 N -0.02 0.00 -0.05 2.82 4.07 -1.07 -0.61 115.31 120.45 2gw6 h LEU 34 Ca 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 2gw6 h LEU 34 Cb 0.25 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 2gw6 h LEU 34 CO -0.32 0.28 -0.03 -0.78 -1.08 0.00 0.00 178.44 176.50 2gw6 h ASP 35 N 0.00 0.11 -0.50 -0.43 3.58 -0.15 0.28 116.42 119.32 2gw6 h ASP 35 Ca -0.00 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2gw6 h ASP 35 Cb 0.57 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2gw6 h ASP 35 CO 0.04 0.53 0.20 -0.07 -2.88 0.00 0.00 179.24 177.06 2gw6 h LEU 36 N -0.31 0.69 0.11 2.28 3.38 -0.61 -0.35 115.31 120.50 2gw6 h LEU 36 Ca 0.01 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.59 2gw6 h LEU 36 Cb 0.50 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.09 2gw6 h LEU 36 CO 0.01 0.67 -0.91 -0.03 0.09 0.00 0.00 178.44 178.27 2gw6 h MET 37 N 0.66 0.42 0.00 1.13 4.05 -1.07 0.32 114.93 120.44 2gw6 h MET 37 Ca 0.16 -0.60 -0.10 0.00 -0.28 0.00 0.00 59.70 58.89 2gw6 h MET 37 Cb 0.20 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 2gw6 h MET 37 CO -0.01 1.25 -1.12 0.93 0.23 0.00 0.00 176.91 178.19 2gw6 h GLU 38 N -0.12 0.00 0.00 0.39 4.39 -0.50 -3.06 114.58 115.68 2gw6 h GLU 38 Ca -0.15 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.37 2gw6 h GLU 38 Cb 1.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.28 2gw6 h GLU 38 CO 0.17 0.19 -1.64 0.43 -1.16 0.00 0.00 179.01 177.01 2gw6 n SER 39 N -2.85 1.11 0.15 1.42 7.64 -0.24 -4.64 113.62 116.20 2gw6 n SER 39 Ca -0.05 0.12 0.12 0.00 1.01 0.00 0.00 58.87 60.07 2gw6 n SER 39 Cb 0.71 -0.32 0.19 0.00 -1.01 0.00 0.00 64.21 63.79 2gw6 n SER 39 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2gw6 h LYS 40 N -0.36 0.00 -6.61 1.43 6.56 -0.95 -3.49 116.57 113.14 2gw6 h LYS 40 Ca -0.29 0.00 -0.42 0.00 -1.06 0.00 0.00 60.65 58.89 2gw6 h LYS 40 Cb 1.27 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.95 2gw6 h LYS 40 CO -0.16 0.00 -1.20 0.45 -2.06 0.00 0.00 179.45 176.48 2gw6 n SER 41 N -2.68 -5.33 -4.91 0.86 2.88 0.11 -4.96 113.62 99.59 2gw6 n SER 41 Ca 0.03 -0.34 -0.27 0.00 -1.33 0.00 0.00 58.87 56.96 2gw6 n SER 41 Cb 0.50 -1.61 -0.03 0.00 -0.75 0.00 0.00 64.21 62.32 2gw6 n SER 41 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2gw6 s TRP 42 N -1.78 3.49 0.20 0.66 0.23 -1.18 -5.01 118.94 115.55 2gw6 s TRP 42 Ca 0.31 0.58 -0.09 0.00 -2.03 0.00 0.00 56.10 54.87 2gw6 s TRP 42 Cb -0.03 -2.06 0.13 0.00 0.03 0.00 0.00 33.47 31.53 2gw6 s TRP 42 CO 0.88 0.14 1.75 1.25 0.96 0.00 0.00 176.95 181.94 2gw6 h HIS 43 N 1.41 1.13 -2.90 -1.98 -0.00 -1.68 -3.44 115.15 107.69 2gw6 h HIS 43 Ca -0.48 -0.09 -0.19 0.00 -0.00 0.00 0.00 60.37 59.60 2gw6 h HIS 43 Cb 1.20 -0.33 -0.31 0.00 -0.00 0.00 0.00 27.41 27.97 2gw6 h HIS 43 CO 0.56 0.87 -0.48 -2.00 -0.00 0.00 0.00 177.93 176.88 2gw6 s GLU 44 N -5.51 0.20 -0.07 5.26 2.56 0.20 -4.96 118.70 116.38 2gw6 s GLU 44 Ca -0.12 0.67 -0.05 0.00 0.00 0.00 0.00 54.97 55.46 2gw6 s GLU 44 Cb 0.15 -0.06 0.03 0.00 2.00 0.00 0.00 34.13 36.25 2gw6 s GLU 44 CO 0.83 -0.22 0.18 0.08 -0.56 0.00 0.00 175.26 175.57 2gw6 s VAL 45 N 1.83 -0.02 0.27 3.70 1.01 -1.26 -0.44 120.40 125.49 2gw6 s VAL 45 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2gw6 s VAL 45 Cb -0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2gw6 s VAL 45 CO -0.09 0.03 0.06 0.20 0.00 0.00 0.00 175.10 175.30 2gw6 s ASN 46 N 0.54 1.64 -0.26 3.32 0.01 -0.47 -4.84 114.94 114.88 2gw6 s ASN 46 Ca -0.04 -1.34 -0.07 0.00 -0.71 0.00 0.00 52.86 50.70 2gw6 s ASN 46 Cb -0.05 0.06 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 2gw6 s ASN 46 CO -0.03 -0.64 0.08 0.00 -1.51 0.00 0.00 177.10 175.00 2gw6 s VAL 48 N 1.60 1.38 -0.17 0.00 1.01 0.13 -4.96 120.40 119.39 2gw6 s VAL 48 Ca 0.06 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2gw6 s VAL 48 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2gw6 s VAL 48 CO 0.04 0.42 0.19 -0.83 0.00 0.00 0.00 175.10 174.91 2gw6 s GLY 49 N 0.92 2.12 -0.61 4.51 0.00 -1.26 -0.00 107.32 113.00 2gw6 s GLY 49 Ca -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 2gw6 s GLY 49 CO -0.00 0.16 0.41 1.08 0.00 0.00 0.00 173.10 174.76 2gw6 s LEU 50 N 0.17 5.01 0.51 0.66 2.01 0.69 -4.96 118.68 122.76 2gw6 s LEU 50 Ca 0.12 -2.96 0.23 0.00 0.01 0.00 0.00 54.13 51.53 2gw6 s LEU 50 Cb -0.12 -1.80 1.37 0.00 0.01 0.00 0.00 46.19 45.65 2gw6 s LEU 50 CO 0.01 -0.32 2.09 -0.65 1.01 0.00 0.00 176.35 178.49 2gw6 h PRO 51 N 6.81 0.00 -0.09 1.29 0.11 -1.88 0.24 132.00 138.47 2gw6 h PRO 51 Ca -0.02 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.90 2gw6 h PRO 51 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 2gw6 h PRO 51 CO 0.71 0.11 -0.73 1.49 -0.21 0.00 0.00 178.00 179.37 2gw6 h GLU 52 N 0.00 0.48 -0.04 1.05 4.81 -1.94 -2.50 114.58 116.43 2gw6 h GLU 52 Ca -0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2gw6 h GLU 52 Cb 0.25 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2gw6 h GLU 52 CO 0.01 1.02 0.00 1.28 -0.73 0.00 0.00 179.01 180.59 2gw6 n LEU 53 N -3.86 2.67 -4.03 1.64 7.99 -1.06 -4.97 117.00 115.38 2gw6 n LEU 53 Ca -0.05 -0.90 -0.34 0.00 -0.01 0.00 0.00 56.01 54.71 2gw6 n LEU 53 Cb 0.71 -0.01 -0.02 0.00 -0.11 0.00 0.00 43.42 43.99 2gw6 n LEU 53 CO 0.49 0.45 -0.25 1.67 -1.51 0.00 0.00 177.39 178.24 2gw6 n GLN 54 N 1.09 -1.49 -4.15 3.23 7.27 0.72 -4.98 117.38 119.07 2gw6 n GLN 54 Ca 0.15 0.25 -0.10 0.00 0.07 0.00 0.00 57.00 57.37 2gw6 n GLN 54 Cb 0.54 -3.67 -0.10 0.00 2.41 0.00 0.00 30.24 29.42 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 2gw6 s LEU 55 N -7.12 1.84 0.01 1.69 0.05 -0.55 -4.98 118.68 109.62 2gw6 s LEU 55 Ca 0.22 -1.19 0.03 0.00 0.05 0.00 0.00 54.13 53.24 2gw6 s LEU 55 Cb -0.11 0.27 -0.03 0.00 -2.05 0.00 0.00 46.19 44.27 2gw6 s LEU 55 CO 0.93 -0.71 -0.06 -0.63 -0.55 0.00 0.00 176.35 175.34 2gw6 s ILE 56 N -4.01 3.73 -0.06 1.48 -1.09 -1.26 -0.22 121.20 119.77 2gw6 s ILE 56 Ca 0.23 -0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 57.82 2gw6 s ILE 56 Cb 0.07 -2.64 0.02 0.00 -1.58 0.00 0.00 42.46 38.33 2gw6 s ILE 56 CO 0.01 0.38 0.18 0.00 -1.23 0.00 0.00 174.94 174.28 2gw6 s LEU 58 N -0.15 3.85 -0.04 0.00 2.01 -0.19 0.21 118.68 124.38 2gw6 s LEU 58 Ca -0.02 -0.03 0.00 0.00 0.01 0.00 0.00 54.13 54.09 2gw6 s LEU 58 Cb -0.02 -2.04 0.03 0.00 0.01 0.00 0.00 46.19 44.16 2gw6 s LEU 58 CO 0.00 0.00 -0.01 -0.69 1.01 0.00 0.00 176.35 176.67 2gw6 s VAL 59 N 1.43 0.28 0.00 -1.59 1.01 -0.60 -1.45 120.40 119.48 2gw6 s VAL 59 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2gw6 s VAL 59 Cb -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.86 2gw6 s VAL 59 CO 0.06 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2gw6 n GLY 60 N 4.26 3.44 3.31 4.51 0.00 -1.23 -1.37 105.19 118.11 2gw6 n GLY 60 Ca -0.23 -1.03 -0.46 0.00 0.00 0.00 0.00 46.02 44.30 2gw6 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gw6 s THR 61 N -2.44 5.21 0.21 2.61 2.01 0.42 -4.25 115.64 119.41 2gw6 s THR 61 Ca 0.00 -1.51 -0.10 0.00 0.31 0.00 0.00 61.69 60.39 2gw6 s THR 61 Cb 0.00 -4.34 0.15 0.00 0.01 0.00 0.00 72.50 68.32 2gw6 s THR 61 CO 0.00 -0.88 1.72 -0.08 -0.69 0.00 0.00 174.62 174.70 2gw6 h GLU 62 N 8.88 0.32 -2.65 4.92 4.81 -1.88 0.60 114.58 129.58 2gw6 h GLU 62 Ca -0.29 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.80 2gw6 h GLU 62 Cb 1.10 -0.07 -0.25 0.00 0.63 0.00 0.00 28.75 30.15 2gw6 h GLU 62 CO 1.04 0.21 -0.26 -1.50 -0.73 0.00 0.00 179.01 177.77 2gw6 s ILE 63 N -6.10 -0.02 0.57 2.32 1.10 -1.26 -3.17 121.20 114.64 2gw6 s ILE 63 Ca -0.13 0.06 -0.20 0.00 -0.51 0.00 0.00 60.65 59.87 2gw6 s ILE 63 Cb 0.17 -0.61 -0.05 0.00 0.15 0.00 0.00 42.46 42.12 2gw6 s ILE 63 CO 0.74 0.02 1.10 -0.62 -2.11 0.00 0.00 174.94 174.07 2gw6 n GLU 64 N 3.75 1.18 0.00 3.50 4.71 -1.26 -2.05 120.64 130.46 2gw6 n GLU 64 Ca -0.20 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 2gw6 n GLU 64 Cb 0.56 -2.28 0.00 0.00 -1.01 0.00 0.00 31.44 28.71 2gw6 n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2gw6 n GLY 65 N 1.11 2.80 0.00 0.62 0.00 -1.26 -4.87 105.19 103.59 2gw6 n GLY 65 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 2.98 0.00 1.61 1.02 -0.87 -5.09 120.64 120.29 2gw6 n GLU 66 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gw6 n GLU 66 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gw6 n GLY 67 N 5.00 0.06 2.64 0.62 0.00 -1.10 -4.78 105.19 107.63 2gw6 n GLY 67 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 0.22 -0.30 0.99 1.02 -1.26 -4.82 118.68 114.53 2gw6 s LEU 68 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 54.13 53.13 2gw6 s LEU 68 Cb 0.00 -0.01 0.16 0.00 0.02 0.00 0.00 46.19 46.36 2gw6 s LEU 68 CO 0.00 -0.40 0.83 -1.58 0.02 0.00 0.00 176.35 175.22 2gw6 s GLN 69 N 2.21 0.42 -0.27 1.70 0.74 -1.26 -4.82 119.66 118.37 2gw6 s GLN 69 Ca 0.08 0.99 -0.02 0.00 0.05 0.00 0.00 55.36 56.46 2gw6 s GLN 69 Cb -0.15 0.59 0.09 0.00 1.10 0.00 0.00 33.01 34.63 2gw6 s GLN 69 CO -0.29 -0.21 0.09 0.99 -0.55 0.00 0.00 175.29 175.32 2gw6 s THR 70 N 2.70 0.57 -0.12 -0.34 2.01 -1.26 -3.57 115.64 115.64 2gw6 s THR 70 Ca -0.01 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.95 2gw6 s THR 70 Cb -0.10 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2gw6 s THR 70 CO -0.18 -0.56 -0.05 0.68 -0.69 0.00 0.00 174.62 173.83 2gw6 s VAL 71 N 1.79 3.85 -0.16 3.82 -7.23 -0.53 -2.25 120.40 119.70 2gw6 s VAL 71 Ca 0.07 -0.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 2gw6 s VAL 71 Cb -0.17 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.15 2gw6 s VAL 71 CO -0.23 0.54 -0.18 0.68 -0.31 0.00 0.00 175.10 175.60 2gw6 s VAL 72 N -0.19 1.88 0.11 1.32 -7.23 -0.87 -1.02 120.40 114.39 2gw6 s VAL 72 Ca 0.03 -0.84 -0.31 0.00 -1.81 0.00 0.00 61.98 59.05 2gw6 s VAL 72 Cb -0.13 -1.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 2gw6 s VAL 72 CO 0.02 0.51 1.72 -2.16 -0.31 0.00 0.00 175.10 174.88 2gw6 s PRO 73 N 1.23 4.17 -0.16 4.82 0.04 -1.26 -2.28 135.00 141.56 2gw6 s PRO 73 Ca 0.02 2.45 -0.04 0.00 0.04 0.00 0.00 61.00 63.47 2gw6 s PRO 73 Cb -0.14 -3.53 0.05 0.00 0.04 0.00 0.00 34.50 30.93 2gw6 s PRO 73 CO -0.09 -0.77 0.06 0.99 0.04 0.00 0.00 177.00 177.24 2gw6 s THR 74 N 2.46 0.12 0.65 1.26 2.01 0.10 -4.92 115.64 117.32 2gw6 s THR 74 Ca 0.76 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.45 2gw6 s THR 74 Cb -0.43 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2gw6 s THR 74 CO 0.34 -0.17 1.05 -2.16 -0.69 0.00 0.00 174.62 172.99 2gw6 s PRO 75 N 2.05 3.16 0.65 4.92 0.04 -1.26 -0.94 135.00 143.62 2gw6 s PRO 75 Ca 0.02 1.02 0.35 0.00 0.04 0.00 0.00 61.00 62.42 2gw6 s PRO 75 Cb -0.16 -2.02 1.91 0.00 0.04 0.00 0.00 34.50 34.27 2gw6 s PRO 75 CO -0.08 -0.93 2.11 0.82 0.04 0.00 0.00 177.00 178.97 2gw6 h ILE 76 N -0.24 0.11 -0.03 0.56 1.08 -1.82 -1.19 117.51 115.98 2gw6 h ILE 76 Ca -0.45 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 2gw6 h ILE 76 Cb 1.21 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 2gw6 h ILE 76 CO 0.58 0.00 -0.11 1.07 -0.69 0.00 0.00 178.15 179.00 2gw6 n THR 77 N -3.17 0.00 -3.37 -0.27 5.66 -1.26 -4.89 114.28 106.98 2gw6 n THR 77 Ca -0.01 -0.44 -0.20 0.00 -3.05 0.00 0.00 64.05 60.35 2gw6 n THR 77 Cb 0.27 1.44 -0.00 0.00 -1.55 0.00 0.00 70.33 70.49 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gw6 s ALA 78 N -2.11 4.15 -0.02 1.79 0.00 -0.45 -5.09 121.76 120.03 2gw6 s ALA 78 Ca 0.26 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2gw6 s ALA 78 Cb 0.20 -1.77 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2gw6 s ALA 78 CO 0.36 -0.11 -0.10 -1.54 0.00 0.00 0.00 175.76 174.37 2gw6 s SER 79 N -4.19 4.35 0.44 0.00 1.04 -1.26 -4.85 113.70 109.24 2gw6 s SER 79 Ca 0.46 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.76 2gw6 s SER 79 Cb -0.10 -0.96 0.01 0.00 0.10 0.00 0.00 66.02 65.07 2gw6 s SER 79 CO 0.32 0.31 0.62 -0.22 0.98 0.00 0.00 173.24 175.25 2gw6 s LEU 80 N -1.15 3.62 -0.10 2.42 1.98 -1.26 -5.01 118.68 119.18 2gw6 s LEU 80 Ca 0.15 -0.17 -0.32 0.00 -2.89 0.00 0.00 54.13 50.89 2gw6 s LEU 80 Cb -0.11 -2.80 0.12 0.00 0.66 0.00 0.00 46.19 44.07 2gw6 s LEU 80 CO 0.04 -0.79 1.13 -0.94 -1.89 0.00 0.00 176.35 173.91 2gw6 s SER 81 N -4.32 -0.18 0.44 3.68 1.04 -1.26 -4.90 113.70 108.21 2gw6 s SER 81 Ca 0.53 -0.05 0.23 0.00 0.48 0.00 0.00 55.95 57.13 2gw6 s SER 81 Cb -0.10 0.22 0.98 0.00 0.10 0.00 0.00 66.02 67.22 2gw6 s SER 81 CO 0.35 -0.38 1.86 1.12 0.98 0.00 0.00 173.24 177.18 2gw6 h HIS 82 N 2.00 0.00 -0.33 5.02 2.07 -2.01 -2.21 115.15 119.70 2gw6 h HIS 82 Ca -0.16 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.30 2gw6 h HIS 82 Cb 1.19 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.16 2gw6 h HIS 82 CO 0.29 0.25 -0.03 -0.91 -3.07 0.00 0.00 177.93 174.47 2gw6 h ASN 83 N 0.00 0.48 -0.56 3.10 2.35 -2.01 -2.79 115.58 116.15 2gw6 h ASN 83 Ca -0.00 -0.10 0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2gw6 h ASN 83 Cb 0.67 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.82 2gw6 h ASN 83 CO 0.03 0.57 -0.02 0.03 -1.65 0.00 0.00 177.43 176.40 2gw6 h ARG 84 N 0.49 0.10 -0.72 0.81 2.47 -1.74 -1.88 114.38 113.91 2gw6 h ARG 84 Ca 0.10 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 2gw6 h ARG 84 Cb 0.36 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.62 2gw6 h ARG 84 CO 0.01 0.06 0.41 -0.84 0.56 0.00 0.00 179.97 180.17 2gw6 h ILE 85 N 0.10 1.22 -0.52 2.04 -0.00 -1.46 0.19 117.51 119.07 2gw6 h ILE 85 Ca 0.28 -0.52 -0.02 0.00 -0.00 0.00 0.00 64.86 64.61 2gw6 h ILE 85 Cb 0.45 0.26 -0.02 0.00 -0.00 0.00 0.00 36.82 37.50 2gw6 h ILE 85 CO -0.49 0.23 0.27 0.03 -0.00 0.00 0.00 178.15 178.19 2gw6 h ARG 86 N 0.98 0.74 -0.03 0.16 2.47 -1.39 0.26 114.38 117.58 2gw6 h ARG 86 Ca 0.25 -0.10 -0.24 0.00 -1.26 0.00 0.00 59.98 58.63 2gw6 h ARG 86 Cb 0.02 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.21 2gw6 h ARG 86 CO -0.04 0.60 -0.95 1.05 0.56 0.00 0.00 179.97 181.19 2gw6 h GLU 87 N 0.70 0.58 -0.23 0.04 4.11 -0.94 -2.20 114.58 116.64 2gw6 h GLU 87 Ca 0.18 -0.59 -0.20 0.00 0.07 0.00 0.00 59.36 58.82 2gw6 h GLU 87 Cb 0.09 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2gw6 h GLU 87 CO -0.03 1.21 -0.64 0.82 0.07 0.00 0.00 179.01 180.44 2gw6 h ILE 88 N 0.35 1.28 -0.84 -1.06 2.04 -0.54 -0.44 117.51 118.29 2gw6 h ILE 88 Ca -0.09 -1.84 0.05 0.00 1.00 0.00 0.00 64.86 63.98 2gw6 h ILE 88 Cb 1.58 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 39.39 2gw6 h ILE 88 CO 0.18 0.59 0.55 -0.07 0.00 0.00 0.00 178.15 179.40 2gw6 h LEU 89 N 0.60 0.85 -0.32 1.44 3.38 -0.49 0.24 115.31 121.02 2gw6 h LEU 89 Ca -0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2gw6 h LEU 89 Cb 1.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2gw6 h LEU 89 CO 0.14 0.56 -0.23 0.50 0.09 0.00 0.00 178.44 179.50 2gw6 h LYS 90 N 0.98 0.71 0.08 1.13 3.64 -1.17 0.30 116.57 122.24 2gw6 h LYS 90 Ca 0.35 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2gw6 h LYS 90 Cb 0.15 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2gw6 h LYS 90 CO -0.12 0.95 -0.05 0.00 -2.27 0.00 0.00 179.45 177.97 2gw6 h ALA 91 N 0.74 -0.12 0.00 5.00 0.00 -0.44 -2.29 119.26 122.16 2gw6 h ALA 91 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2gw6 h ALA 91 Cb 0.78 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2gw6 h ALA 91 CO 0.06 -0.57 -0.16 0.66 0.00 0.00 0.00 179.25 179.24 2gw6 h SER 92 N -0.12 0.00 -0.64 0.00 4.64 -0.50 -2.10 113.55 114.83 2gw6 h SER 92 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2gw6 h SER 92 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2gw6 h SER 92 CO 0.01 0.16 0.24 -0.09 -0.87 0.00 0.00 176.83 176.28 2gw6 h ARG 93 N 0.00 0.97 0.00 4.77 2.43 0.14 0.40 114.38 123.08 2gw6 h ARG 93 Ca -0.00 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 58.90 2gw6 h ARG 93 Cb 0.69 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2gw6 h ARG 93 CO 0.02 0.82 -0.41 1.57 -1.51 0.00 0.00 179.97 180.46 2gw6 h LYS 94 N 0.91 0.00 0.19 0.20 5.09 -1.18 -2.20 116.57 119.58 2gw6 h LYS 94 Ca 0.21 0.00 -0.30 0.00 0.09 0.00 0.00 60.65 60.65 2gw6 h LYS 94 Cb 0.23 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.58 2gw6 h LYS 94 CO -0.01 0.38 -1.38 1.25 -2.09 0.00 0.00 179.45 177.59 2gw6 h LEU 95 N 0.00 0.64 0.00 7.07 5.85 -0.80 -3.30 115.31 124.77 2gw6 h LEU 95 Ca -0.01 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.79 2gw6 h LEU 95 Cb 1.30 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2gw6 h LEU 95 CO 0.05 1.65 -0.30 0.00 -0.34 0.00 0.00 178.44 179.50 2gw6 n GLN 96 N -3.82 0.24 -2.09 1.25 1.13 0.13 -4.92 117.38 109.31 2gw6 n GLN 96 Ca -0.19 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 54.87 2gw6 n GLN 96 Cb 1.00 -1.71 -0.01 0.00 0.11 0.00 0.00 30.24 29.63 2gw6 n GLN 96 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gw6 n GLY 97 N 1.35 0.09 3.09 1.08 0.00 -0.93 -5.01 105.19 104.87 2gw6 n GLY 97 Ca 0.05 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.52 5.02 0.57 1.61 1.01 -0.87 -4.94 116.67 116.54 2gw6 s ASP 98 Ca 0.00 -1.94 0.35 0.00 0.71 0.00 0.00 52.55 51.67 2gw6 s ASP 98 Cb 0.00 -1.74 1.59 0.00 1.01 0.00 0.00 42.92 43.78 2gw6 s ASP 98 CO 0.00 -0.44 2.07 -0.65 0.21 0.00 0.00 175.17 176.36 2gw6 h PRO 99 N 7.89 0.00 -1.21 8.23 0.11 -1.95 -3.41 132.00 141.66 2gw6 h PRO 99 Ca -0.11 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.02 2gw6 h PRO 99 Cb 1.04 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.92 2gw6 h PRO 99 CO 0.61 0.03 -0.34 0.34 -0.21 0.00 0.00 178.00 178.42 2gw6 s ASP 100 N -5.64 -1.01 -0.22 -2.05 2.15 -1.26 -5.09 116.67 103.54 2gw6 s ASP 100 Ca -0.01 0.59 -0.17 0.00 0.43 0.00 0.00 52.55 53.40 2gw6 s ASP 100 Cb 0.10 1.89 0.06 0.00 -0.30 0.00 0.00 42.92 44.68 2gw6 s ASP 100 CO 0.52 -0.28 0.57 -0.22 -0.17 0.00 0.00 175.17 175.60 2gw6 s LEU 101 N 2.78 -0.36 -0.50 -1.34 2.96 -1.26 -5.10 118.68 115.86 2gw6 s LEU 101 Ca 0.17 1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 54.99 2gw6 s LEU 101 Cb -0.14 1.95 0.01 0.00 0.50 0.00 0.00 46.19 48.52 2gw6 s LEU 101 CO -0.21 -0.21 1.38 -2.84 -1.32 0.00 0.00 176.35 173.15 2gw6 s PRO 102 N 0.84 3.45 0.00 0.98 0.02 -1.26 -4.92 135.00 134.10 2gw6 s PRO 102 Ca -0.04 0.63 0.00 0.00 0.02 0.00 0.00 61.00 61.61 2gw6 s PRO 102 Cb -0.05 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.41 2gw6 s PRO 102 CO -0.07 -1.74 0.00 -0.12 -0.33 0.00 0.00 177.00 174.74 2gw6 n MET 103 N 8.36 0.21 -3.88 5.54 1.56 -1.26 -5.18 117.12 122.47 2gw6 n MET 103 Ca 0.14 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.53 2gw6 n MET 103 Cb 0.49 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.88 2gw6 n MET 103 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2gw6 s SER 104 N -0.82 0.00 -0.02 6.12 1.04 -1.26 -4.52 113.70 114.24 2gw6 s SER 104 Ca 0.00 -0.69 -0.20 0.00 0.48 0.00 0.00 55.95 55.55 2gw6 s SER 104 Cb 0.00 0.51 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2gw6 s SER 104 CO 0.00 -1.02 0.42 0.72 0.98 0.00 0.00 173.24 174.34 2gw6 s PHE 105 N -2.19 -0.32 -0.21 5.02 -0.71 -1.23 -4.65 117.98 113.69 2gw6 s PHE 105 Ca 0.21 0.49 -0.09 0.00 -1.04 0.00 0.00 56.93 56.51 2gw6 s PHE 105 Cb -0.03 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.93 2gw6 s PHE 105 CO 0.05 -0.47 0.11 0.99 -1.34 0.00 0.00 175.22 174.56 2gw6 s THR 106 N -1.43 5.12 -0.14 -4.49 2.01 -0.95 -2.81 115.64 112.95 2gw6 s THR 106 Ca -0.12 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 2gw6 s THR 106 Cb -0.03 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 2gw6 s THR 106 CO 0.05 0.42 0.81 -0.76 -0.69 0.00 0.00 174.62 174.44 2gw6 s LEU 107 N 0.62 4.21 -0.51 4.42 1.43 -0.54 -2.06 118.68 126.26 2gw6 s LEU 107 Ca 0.06 1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 2gw6 s LEU 107 Cb -0.12 -3.21 0.12 0.00 0.03 0.00 0.00 46.19 43.01 2gw6 s LEU 107 CO 0.01 -0.33 0.44 0.00 0.23 0.00 0.00 176.35 176.70 2gw6 s ALA 108 N 1.80 3.56 -0.22 4.21 0.00 -0.97 -0.71 121.76 129.43 2gw6 s ALA 108 Ca 0.39 -2.52 -0.20 0.00 0.00 0.00 0.00 51.96 49.63 2gw6 s ALA 108 Cb -0.17 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2gw6 s ALA 108 CO 0.14 -1.97 0.60 0.42 0.00 0.00 0.00 175.76 174.96 2gw6 s ILE 109 N 1.52 5.03 -0.18 0.00 1.01 0.69 0.02 121.20 129.30 2gw6 s ILE 109 Ca 0.04 1.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 2gw6 s ILE 109 Cb -0.28 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.27 2gw6 s ILE 109 CO 0.02 0.10 -0.13 0.68 0.00 0.00 0.00 174.94 175.61 2gw6 s VAL 110 N 2.03 2.76 0.26 2.92 -7.23 -0.11 0.50 120.40 121.54 2gw6 s VAL 110 Ca 0.27 -0.72 0.09 0.00 -1.81 0.00 0.00 61.98 59.80 2gw6 s VAL 110 Cb -0.16 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2gw6 s VAL 110 CO 0.10 0.49 0.06 -0.70 -0.31 0.00 0.00 175.10 174.74 2gw6 s GLU 111 N 1.08 2.49 -0.17 4.82 2.12 0.14 -2.20 118.70 126.98 2gw6 s GLU 111 Ca -0.00 -1.31 0.00 0.00 0.36 0.00 0.00 54.97 54.02 2gw6 s GLU 111 Cb -0.14 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 31.96 2gw6 s GLU 111 CO -0.04 0.37 0.00 0.45 -0.54 0.00 0.00 175.26 175.50 2gw6 n SER 112 N -0.99 -3.63 -3.81 -1.70 2.88 -1.26 -0.28 113.62 104.82 2gw6 n SER 112 Ca -0.07 0.04 -0.28 0.00 -1.33 0.00 0.00 58.87 57.24 2gw6 n SER 112 Cb 0.59 -2.44 0.04 0.00 -0.75 0.00 0.00 64.21 61.65 2gw6 n SER 112 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2gw6 n ASP 113 N 0.43 -4.85 0.00 -3.46 9.92 -1.26 -4.57 116.55 112.76 2gw6 n ASP 113 Ca -0.02 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 2gw6 n ASP 113 Cb 0.32 -4.21 0.00 0.00 -0.64 0.00 0.00 41.12 36.59 2gw6 n ASP 113 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2gw6 n SER 114 N -2.90 0.00 -4.66 -2.24 2.88 -0.83 -5.07 113.62 100.80 2gw6 n SER 114 Ca -0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2gw6 n SER 114 Cb 0.55 0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2gw6 n SER 114 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2gw6 s THR 115 N -1.04 4.11 -0.17 2.46 2.01 0.62 -4.92 115.64 118.71 2gw6 s THR 115 Ca 0.00 1.36 -0.02 0.00 0.31 0.00 0.00 61.69 63.35 2gw6 s THR 115 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 2gw6 s THR 115 CO 0.00 -0.10 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.11 2gw6 s ILE 116 N 3.43 3.25 -0.23 1.82 1.01 -1.26 -0.68 121.20 128.54 2gw6 s ILE 116 Ca 0.59 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2gw6 s ILE 116 Cb -0.25 -2.41 0.06 0.00 0.01 0.00 0.00 42.46 39.87 2gw6 s ILE 116 CO 0.19 0.49 -0.06 -0.69 0.00 0.00 0.00 174.94 174.87 2gw6 s VAL 117 N 0.76 1.50 -0.06 2.92 1.01 0.18 -4.94 120.40 121.77 2gw6 s VAL 117 Ca -0.04 -1.16 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 2gw6 s VAL 117 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2gw6 s VAL 117 CO 0.02 -0.07 0.94 -0.31 0.00 0.00 0.00 175.10 175.68 2gw6 s TYR 118 N 1.42 3.58 -0.07 5.22 1.51 -1.26 -0.22 117.35 127.53 2gw6 s TYR 118 Ca -0.05 1.57 0.03 0.00 -1.01 0.00 0.00 57.07 57.61 2gw6 s TYR 118 Cb -0.18 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.58 2gw6 s TYR 118 CO -0.06 -0.09 -0.15 -0.47 -1.11 0.00 0.00 175.55 173.66 2gw6 s TYR 119 N 1.41 1.71 -0.13 2.71 5.04 0.12 -4.98 117.35 123.23 2gw6 s TYR 119 Ca 0.48 -0.63 -0.23 0.00 -2.44 0.00 0.00 57.07 54.25 2gw6 s TYR 119 Cb -0.19 -1.21 -0.03 0.00 0.35 0.00 0.00 41.96 40.89 2gw6 s TYR 119 CO 0.22 -0.28 0.73 0.21 -1.34 0.00 0.00 175.55 175.09 2gw6 s LYS 120 N 0.48 4.33 -0.12 4.97 2.36 -1.26 -1.46 119.74 129.05 2gw6 s LYS 120 Ca -0.13 0.87 0.03 0.00 -2.55 0.00 0.00 55.97 54.19 2gw6 s LYS 120 Cb -0.15 -3.52 0.01 0.00 -1.05 0.00 0.00 37.83 33.11 2gw6 s LYS 120 CO 0.04 -0.15 -0.22 -1.17 1.55 0.00 0.00 175.35 175.41 2gw6 s LEU 121 N 1.55 2.04 0.10 5.43 0.20 -1.12 -4.99 118.68 121.88 2gw6 s LEU 121 Ca 0.36 -0.55 0.09 0.00 0.69 0.00 0.00 54.13 54.72 2gw6 s LEU 121 Cb -0.17 -1.36 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 2gw6 s LEU 121 CO 0.14 0.11 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.21 2gw6 s THR 122 N 0.61 2.60 -2.00 3.68 2.01 -1.26 -3.50 115.64 117.78 2gw6 s THR 122 Ca -0.13 -1.52 0.23 0.00 0.31 0.00 0.00 61.69 60.59 2gw6 s THR 122 Cb -0.17 -2.15 0.67 0.00 0.01 0.00 0.00 72.50 70.86 2gw6 s THR 122 CO 0.03 0.16 1.76 -0.90 -0.69 0.00 0.00 174.62 174.99