#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw6 s GLU 2 N 0.00 0.41 0.00 1.43 -1.05 -1.26 -4.93 118.70 113.31 2gw6 s GLU 2 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 2gw6 s GLU 2 Cb 0.00 0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2gw6 s GLU 2 CO 0.00 -0.09 0.00 -0.25 0.95 0.00 0.00 175.26 175.87 2gw6 n ASP 3 N 2.14 0.00 -0.02 0.83 9.92 -1.26 -4.43 116.55 123.72 2gw6 n ASP 3 Ca -0.18 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.15 2gw6 n ASP 3 Cb 0.57 -0.57 0.36 0.00 -0.64 0.00 0.00 41.12 40.84 2gw6 n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gw6 n ALA 4 N 0.47 2.57 0.07 2.24 0.00 -1.08 -1.97 120.51 122.81 2gw6 n ALA 4 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 2gw6 n ALA 4 Cb 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 2gw6 n ALA 4 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2gw6 h TRP 5 N 0.09 0.31 0.00 0.00 4.06 -1.87 -3.38 115.95 115.17 2gw6 h TRP 5 Ca 0.00 -0.22 -0.42 0.00 2.06 0.00 0.00 58.89 60.30 2gw6 h TRP 5 Cb 0.02 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.10 2gw6 h TRP 5 CO 0.01 1.21 -2.36 -1.33 -3.56 0.00 0.00 178.44 172.40 2gw6 n MET 6 N -3.42 0.60 0.00 0.49 2.81 -0.99 -5.02 117.12 111.59 2gw6 n MET 6 Ca -0.09 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2gw6 n MET 6 Cb 1.01 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 2gw6 n MET 6 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gw6 n GLY 7 N 1.43 2.14 0.00 3.03 0.00 -0.83 -5.16 105.19 105.80 2gw6 n GLY 7 Ca -0.50 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.98 2.61 -2.24 -1.22 -4.39 114.28 106.06 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 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2gw6 n THR 8 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2gw6 s HIS 9 N 0.40 3.61 0.25 4.78 2.46 -1.26 -2.63 115.29 122.89 2gw6 s HIS 9 Ca 0.00 1.35 -0.06 0.00 0.47 0.00 0.00 55.06 56.81 2gw6 s HIS 9 Cb 0.00 -2.86 0.45 0.00 -0.13 0.00 0.00 32.58 30.04 2gw6 s HIS 9 CO 0.00 0.09 1.63 -1.35 -2.47 0.00 0.00 174.74 172.64 2gw6 h PRO 10 N 6.66 0.10 -0.09 2.88 0.11 -1.89 0.34 132.00 140.10 2gw6 h PRO 10 Ca -0.41 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 2gw6 h PRO 10 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2gw6 h PRO 10 CO 0.75 0.07 -0.28 0.87 -0.21 0.00 0.00 178.00 179.19 2gw6 h LYS 11 N 0.10 0.16 0.20 1.05 6.56 -1.97 0.48 116.57 123.15 2gw6 h LYS 11 Ca 0.42 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.95 2gw6 h LYS 11 Cb 0.75 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 2gw6 h LYS 11 CO -0.67 0.44 -0.10 -0.92 -2.06 0.00 0.00 179.45 176.13 2gw6 h TYR 12 N 0.14 -0.25 -0.99 -1.35 3.20 -0.99 -1.94 116.97 114.79 2gw6 h TYR 12 Ca 0.02 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2gw6 h TYR 12 Cb 0.58 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.88 2gw6 h TYR 12 CO 0.01 0.10 0.66 -0.07 -1.64 0.00 0.00 178.16 177.22 2gw6 h LEU 13 N -0.66 1.12 -0.86 2.82 4.07 -0.33 0.19 115.31 121.66 2gw6 h LEU 13 Ca -0.03 -0.02 0.19 0.00 0.08 0.00 0.00 57.88 58.10 2gw6 h LEU 13 Cb 0.47 -0.27 -0.11 0.00 1.08 0.00 0.00 40.66 41.83 2gw6 h LEU 13 CO 0.05 0.80 0.39 -0.33 -1.08 0.00 0.00 178.44 178.26 2gw6 h GLU 14 N 1.31 0.45 -0.08 1.13 4.39 0.01 -1.29 114.58 120.51 2gw6 h GLU 14 Ca 0.37 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.81 2gw6 h GLU 14 Cb -0.10 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2gw6 h GLU 14 CO -0.09 0.30 -0.89 1.98 -1.16 0.00 0.00 179.01 179.14 2gw6 h MET 15 N 0.47 0.74 -1.00 2.33 4.05 -0.51 -3.26 114.93 117.74 2gw6 h MET 15 Ca 0.51 -0.70 0.15 0.00 -0.28 0.00 0.00 59.70 59.38 2gw6 h MET 15 Cb 0.88 0.17 -0.09 0.00 -0.80 0.00 0.00 31.60 31.76 2gw6 h MET 15 CO -0.47 1.29 0.62 0.52 0.23 0.00 0.00 176.91 179.10 2gw6 h MET 16 N 0.45 0.87 0.00 0.39 2.86 0.40 -1.28 114.93 118.62 2gw6 h MET 16 Ca -0.09 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2gw6 h MET 16 Cb 1.54 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.00 2gw6 h MET 16 CO 0.18 0.58 0.00 0.39 1.06 0.00 0.00 176.91 179.12 2gw6 n GLU 17 N -4.66 0.04 -0.31 1.72 1.02 -0.60 -4.76 120.64 113.08 2gw6 n GLU 17 Ca 0.20 0.33 -0.28 0.00 -0.02 0.00 0.00 57.16 57.40 2gw6 n GLU 17 Cb 0.44 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.62 2gw6 n GLU 17 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2gw6 n LEU 18 N -1.41 0.00 0.16 -4.62 -0.00 -0.49 -4.83 117.00 105.81 2gw6 n LEU 18 Ca 0.02 -0.84 0.04 0.00 -0.00 0.00 0.00 56.01 55.24 2gw6 n LEU 18 Cb 0.06 -0.91 0.23 0.00 -0.00 0.00 0.00 43.42 42.80 2gw6 n LEU 18 CO 0.05 -2.63 0.77 0.47 -0.00 0.00 0.00 177.39 176.04 2gw6 n ASP 19 N -5.46 0.22 -3.68 1.45 9.92 -1.26 -4.71 116.55 113.02 2gw6 n ASP 19 Ca 0.13 0.44 -0.11 0.00 -0.53 0.00 0.00 54.79 54.72 2gw6 n ASP 19 Cb 0.54 -0.33 -0.04 0.00 -0.64 0.00 0.00 41.12 40.65 2gw6 n ASP 19 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2gw6 s ILE 20 N -3.17 0.00 -0.63 0.53 -4.36 -1.26 -4.86 121.20 107.45 2gw6 s ILE 20 Ca -0.01 -1.43 0.05 0.00 -0.26 0.00 0.00 60.65 59.00 2gw6 s ILE 20 Cb 0.02 -2.40 0.18 0.00 1.25 0.00 0.00 42.46 41.52 2gw6 s ILE 20 CO 0.08 0.00 0.50 0.61 0.24 0.00 0.00 174.94 176.37 2gw6 n GLY 21 N -0.45 3.74 2.96 6.27 0.00 -1.26 -4.88 105.19 111.57 2gw6 n GLY 21 Ca -0.01 -2.34 -0.31 0.00 0.00 0.00 0.00 46.02 43.36 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 -1.31 3.96 0.37 1.61 -1.08 -1.26 -4.99 116.67 113.97 2gw6 s ASP 22 Ca 0.29 -1.23 0.16 0.00 -0.52 0.00 0.00 52.55 51.24 2gw6 s ASP 22 Cb 0.01 -1.24 0.74 0.00 -1.46 0.00 0.00 42.92 40.97 2gw6 s ASP 22 CO -0.15 -0.23 1.80 0.00 0.52 0.00 0.00 175.17 177.10 2gw6 h ALA 23 N 7.92 1.19 0.17 3.66 0.00 -1.99 -1.61 119.26 128.61 2gw6 h ALA 23 Ca -0.18 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 2gw6 h ALA 23 Cb 1.07 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.82 2gw6 h ALA 23 CO 0.42 0.48 -1.00 1.15 0.00 0.00 0.00 179.25 180.30 2gw6 h THR 24 N 0.00 1.45 0.06 0.00 2.02 -1.98 -2.43 112.91 112.02 2gw6 h THR 24 Ca -0.00 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 64.60 2gw6 h THR 24 Cb 0.76 3.16 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2gw6 h THR 24 CO 0.05 0.74 -0.03 -0.61 0.37 0.00 0.00 175.52 176.04 2gw6 h GLN 25 N -0.24 -0.08 -0.80 6.66 5.75 -1.92 -0.98 115.11 123.50 2gw6 h GLN 25 Ca -0.18 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.36 2gw6 h GLN 25 Cb 1.78 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 30.30 2gw6 h GLN 25 CO 0.18 0.10 0.53 -0.39 -2.65 0.00 0.00 178.83 176.60 2gw6 h VAL 26 N -0.23 1.16 0.09 2.39 -1.51 -1.41 0.12 116.25 116.84 2gw6 h VAL 26 Ca -0.01 -0.35 0.01 0.00 -1.23 0.00 0.00 66.70 65.12 2gw6 h VAL 26 Cb 0.21 0.04 -0.02 0.00 -2.13 0.00 0.00 31.29 29.39 2gw6 h VAL 26 CO 0.01 0.19 -0.13 0.22 -1.23 0.00 0.00 177.57 176.63 2gw6 h TYR 27 N 1.03 -0.34 -0.46 5.19 3.20 -1.10 0.94 116.97 125.43 2gw6 h TYR 27 Ca 0.31 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.06 2gw6 h TYR 27 Cb -0.02 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2gw6 h TYR 27 CO -0.00 -0.20 -0.23 0.28 -1.64 0.00 0.00 178.16 176.37 2gw6 h VAL 28 N -0.26 1.27 -0.87 1.81 2.07 -0.79 -2.40 116.25 117.08 2gw6 h VAL 28 Ca 0.02 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.17 2gw6 h VAL 28 Cb 0.28 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2gw6 h VAL 28 CO -0.07 0.47 0.57 0.00 0.02 0.00 0.00 177.57 178.57 2gw6 h ALA 29 N 0.92 1.11 -0.41 1.67 0.00 -0.62 -1.96 119.26 119.96 2gw6 h ALA 29 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2gw6 h ALA 29 Cb 0.79 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2gw6 h ALA 29 CO 0.07 0.48 0.27 0.35 0.00 0.00 0.00 179.25 180.42 2gw6 h PHE 30 N 1.16 0.52 -0.38 0.00 3.57 -0.47 0.25 116.94 121.59 2gw6 h PHE 30 Ca 0.32 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.85 2gw6 h PHE 30 Cb -0.11 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2gw6 h PHE 30 CO -0.01 0.33 0.22 -0.07 -2.23 0.00 0.00 178.31 176.55 2gw6 h LEU 31 N 0.56 0.37 -0.27 0.59 4.07 -0.99 -0.50 115.31 119.14 2gw6 h LEU 31 Ca 0.15 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.90 2gw6 h LEU 31 Cb -0.06 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2gw6 h LEU 31 CO -0.03 0.27 -0.80 -0.37 -1.08 0.00 0.00 178.44 176.43 2gw6 h VAL 32 N 0.46 1.34 -0.56 1.22 -1.51 -1.16 -2.21 116.25 113.84 2gw6 h VAL 32 Ca 0.15 -2.14 0.10 0.00 -1.23 0.00 0.00 66.70 63.58 2gw6 h VAL 32 Cb -0.00 2.13 -0.08 0.00 -2.13 0.00 0.00 31.29 31.20 2gw6 h VAL 32 CO -0.06 0.65 0.12 0.22 -1.23 0.00 0.00 177.57 177.27 2gw6 h TYR 33 N 0.36 0.19 0.00 5.19 3.20 -0.24 0.37 116.97 126.04 2gw6 h TYR 33 Ca -0.05 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2gw6 h TYR 33 Cb 1.40 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 2gw6 h TYR 33 CO 0.06 -0.02 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.26 2gw6 h LEU 34 N 0.25 0.00 0.14 2.82 4.07 -0.99 -1.47 115.31 120.13 2gw6 h LEU 34 Ca 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.24 2gw6 h LEU 34 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2gw6 h LEU 34 CO -0.37 0.24 -0.07 -0.78 -1.08 0.00 0.00 178.44 176.38 2gw6 h ASP 35 N 0.00 -0.15 -0.82 -0.43 1.82 -0.39 -1.27 116.42 115.18 2gw6 h ASP 35 Ca -0.00 -0.39 0.20 0.00 -0.39 0.00 0.00 57.03 56.44 2gw6 h ASP 35 Cb 0.46 0.04 -0.12 0.00 0.68 0.00 0.00 39.33 40.39 2gw6 h ASP 35 CO 0.03 0.43 0.22 -0.07 -1.61 0.00 0.00 179.24 178.24 2gw6 h LEU 36 N -0.86 0.04 0.11 2.28 3.38 -0.25 0.69 115.31 120.70 2gw6 h LEU 36 Ca -0.02 0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2gw6 h LEU 36 Cb 0.54 0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.52 2gw6 h LEU 36 CO 0.03 -0.08 -0.67 -0.03 0.09 0.00 0.00 178.44 177.79 2gw6 h MET 37 N 0.26 0.23 0.00 1.13 4.05 -1.33 0.70 114.93 119.97 2gw6 h MET 37 Ca 0.49 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2gw6 h MET 37 Cb 0.90 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.85 2gw6 h MET 37 CO -0.57 1.19 -1.82 0.39 0.23 0.00 0.00 176.91 176.32 2gw6 n GLU 38 N -4.23 0.55 -0.03 0.39 -0.58 -0.48 -3.23 120.64 113.04 2gw6 n GLU 38 Ca -0.14 -0.16 -0.07 0.00 -0.42 0.00 0.00 57.16 56.37 2gw6 n GLU 38 Cb 0.75 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.14 1.11 0.23 1.62 2.88 0.20 -4.63 113.62 112.89 2gw6 n SER 39 Ca -0.03 0.17 0.12 0.00 -1.33 0.00 0.00 58.87 57.81 2gw6 n SER 39 Cb 0.53 -0.41 0.24 0.00 -0.75 0.00 0.00 64.21 63.83 2gw6 n SER 39 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2gw6 h LYS 40 N -0.38 0.00 -6.22 -1.46 1.63 -0.42 -3.49 116.57 106.22 2gw6 h LYS 40 Ca -0.13 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.38 2gw6 h LYS 40 Cb 0.78 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.42 2gw6 h LYS 40 CO -0.08 0.02 -0.94 0.45 -3.45 0.00 0.00 179.45 175.46 2gw6 n SER 41 N -3.11 -6.09 -4.95 4.20 2.88 0.14 -4.96 113.62 101.74 2gw6 n SER 41 Ca 0.03 -0.17 -0.22 0.00 -1.33 0.00 0.00 58.87 57.19 2gw6 n SER 41 Cb 0.50 -2.77 -0.02 0.00 -0.75 0.00 0.00 64.21 61.17 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 -2.16 3.42 0.14 0.66 0.23 -0.63 -5.00 118.94 115.60 2gw6 s TRP 42 Ca 0.25 -0.01 -0.12 0.00 -2.03 0.00 0.00 56.10 54.19 2gw6 s TRP 42 Cb -0.03 -1.57 -0.01 0.00 0.03 0.00 0.00 33.47 31.89 2gw6 s TRP 42 CO 0.85 0.46 1.54 1.25 0.96 0.00 0.00 176.95 182.00 2gw6 h HIS 43 N 1.35 1.00 -2.39 -1.98 -0.00 -1.21 -3.45 115.15 108.47 2gw6 h HIS 43 Ca -0.51 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 59.57 2gw6 h HIS 43 Cb 1.23 -0.24 -0.25 0.00 -0.00 0.00 0.00 27.41 28.14 2gw6 h HIS 43 CO 0.47 1.00 -0.27 -2.00 -0.00 0.00 0.00 177.93 177.14 2gw6 s GLU 44 N -4.73 0.42 -0.04 5.26 2.56 0.36 -4.97 118.70 117.56 2gw6 s GLU 44 Ca -0.12 1.09 0.00 0.00 0.00 0.00 0.00 54.97 55.94 2gw6 s GLU 44 Cb 0.11 0.35 0.03 0.00 2.00 0.00 0.00 34.13 36.62 2gw6 s GLU 44 CO 0.84 -0.21 -0.00 0.08 -0.56 0.00 0.00 175.26 175.41 2gw6 s VAL 45 N 2.33 0.25 0.21 3.70 1.01 -1.26 -1.38 120.40 125.26 2gw6 s VAL 45 Ca -0.05 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.11 2gw6 s VAL 45 Cb -0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 2gw6 s VAL 45 CO -0.15 0.18 -0.19 0.20 0.00 0.00 0.00 175.10 175.14 2gw6 s ASN 46 N 1.22 3.08 -0.25 3.32 0.01 -0.61 -4.94 114.94 116.77 2gw6 s ASN 46 Ca -0.07 -0.93 -0.07 0.00 -0.71 0.00 0.00 52.86 51.08 2gw6 s ASN 46 Cb -0.13 -0.21 -0.03 0.00 0.41 0.00 0.00 41.25 41.29 2gw6 s ASN 46 CO -0.02 -0.00 0.06 0.00 -1.51 0.00 0.00 177.10 175.63 2gw6 s VAL 48 N 1.60 1.28 -0.15 0.00 1.01 -0.17 -4.99 120.40 118.97 2gw6 s VAL 48 Ca 0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2gw6 s VAL 48 Cb -0.15 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2gw6 s VAL 48 CO 0.03 0.39 0.03 -0.83 0.00 0.00 0.00 175.10 174.72 2gw6 s GLY 49 N 0.60 1.87 -0.44 4.51 0.00 -1.26 -0.74 107.32 111.86 2gw6 s GLY 49 Ca -0.15 -0.76 -0.00 0.00 0.00 0.00 0.00 44.72 43.80 2gw6 s GLY 49 CO 0.04 -0.12 0.21 1.08 0.00 0.00 0.00 173.10 174.31 2gw6 s LEU 50 N 0.03 5.01 0.57 0.66 2.01 0.53 -4.76 118.68 122.72 2gw6 s LEU 50 Ca 0.04 -2.32 0.26 0.00 0.01 0.00 0.00 54.13 52.12 2gw6 s LEU 50 Cb -0.12 -1.76 1.59 0.00 0.01 0.00 0.00 46.19 45.91 2gw6 s LEU 50 CO 0.01 -0.43 2.13 -0.65 1.01 0.00 0.00 176.35 178.42 2gw6 h PRO 51 N 7.57 0.00 -0.35 1.29 0.11 -1.89 0.20 132.00 138.94 2gw6 h PRO 51 Ca -0.08 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 2gw6 h PRO 51 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2gw6 h PRO 51 CO 0.65 0.00 -0.22 1.49 -0.21 0.00 0.00 178.00 179.72 2gw6 h GLU 52 N 0.00 0.76 -0.02 1.05 4.57 -1.95 -3.09 114.58 115.89 2gw6 h GLU 52 Ca 0.07 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2gw6 h GLU 52 Cb 0.35 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2gw6 h GLU 52 CO -0.00 0.97 -0.20 -0.11 -1.18 0.00 0.00 179.01 178.49 2gw6 n LEU 53 N -4.27 2.06 -3.67 1.64 7.94 -1.13 -4.98 117.00 114.60 2gw6 n LEU 53 Ca -0.03 -0.87 -0.22 0.00 -1.11 0.00 0.00 56.01 53.79 2gw6 n LEU 53 Cb 0.43 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.43 2gw6 n LEU 53 CO 0.44 0.38 0.00 0.00 -1.11 0.00 0.00 177.39 177.10 2gw6 n GLN 54 N 0.40 -5.48 -4.39 1.96 6.02 0.66 -5.00 117.38 111.56 2gw6 n GLN 54 Ca 0.09 0.67 -0.24 0.00 -0.01 0.00 0.00 57.00 57.51 2gw6 n GLN 54 Cb 0.40 -5.39 -0.11 0.00 1.02 0.00 0.00 30.24 26.16 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2gw6 s LEU 55 N -6.72 2.46 0.05 1.08 0.05 -0.94 -4.96 118.68 109.71 2gw6 s LEU 55 Ca 0.11 -0.89 0.06 0.00 0.05 0.00 0.00 54.13 53.46 2gw6 s LEU 55 Cb -0.05 -1.00 -0.03 0.00 -2.05 0.00 0.00 46.19 43.05 2gw6 s LEU 55 CO 0.79 0.04 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.86 2gw6 s ILE 56 N -1.99 3.09 -0.04 1.48 -1.09 -1.26 -0.35 121.20 121.04 2gw6 s ILE 56 Ca 0.20 -1.15 -0.05 0.00 -2.23 0.00 0.00 60.65 57.42 2gw6 s ILE 56 Cb -0.06 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2gw6 s ILE 56 CO 0.09 0.28 0.14 0.00 -1.23 0.00 0.00 174.94 174.22 2gw6 s LEU 58 N -0.16 4.06 -0.04 0.00 2.01 0.72 -1.00 118.68 124.27 2gw6 s LEU 58 Ca -0.02 0.04 0.03 0.00 0.01 0.00 0.00 54.13 54.19 2gw6 s LEU 58 Cb -0.02 -2.12 0.00 0.00 0.01 0.00 0.00 46.19 44.07 2gw6 s LEU 58 CO 0.00 -0.00 -0.11 -0.69 1.01 0.00 0.00 176.35 176.57 2gw6 s VAL 59 N 1.46 0.94 0.00 -1.59 1.01 -0.67 -1.18 120.40 120.36 2gw6 s VAL 59 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2gw6 s VAL 59 Cb -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2gw6 s VAL 59 CO 0.08 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2gw6 n GLY 60 N 3.39 1.73 3.00 4.51 0.00 -1.22 -1.58 105.19 115.02 2gw6 n GLY 60 Ca -0.19 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 0.12 1.96 0.32 2.61 -4.23 -0.48 -4.43 115.64 111.51 2gw6 s THR 61 Ca 0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2gw6 s THR 61 Cb 0.00 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 71.86 2gw6 s THR 61 CO 0.00 -0.26 1.98 1.05 -0.54 0.00 0.00 174.62 176.84 2gw6 h GLU 62 N 7.79 0.96 -4.56 3.99 4.11 -1.93 0.10 114.58 125.04 2gw6 h GLU 62 Ca -0.14 -0.06 -0.49 0.00 0.07 0.00 0.00 59.36 58.74 2gw6 h GLU 62 Cb 1.04 -0.22 -0.33 0.00 0.50 0.00 0.00 28.75 29.74 2gw6 h GLU 62 CO 0.47 0.64 -0.81 0.42 0.07 0.00 0.00 179.01 179.80 2gw6 s ILE 63 N -5.84 1.03 0.24 -1.06 -1.09 -1.26 -1.13 121.20 112.09 2gw6 s ILE 63 Ca -0.11 -0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 57.57 2gw6 s ILE 63 Cb 0.18 -0.94 -0.14 0.00 -1.58 0.00 0.00 42.46 39.98 2gw6 s ILE 63 CO 0.78 0.33 1.25 1.21 -1.23 0.00 0.00 174.94 177.27 2gw6 n GLU 64 N 3.69 1.65 0.00 2.79 4.07 -1.26 -1.29 120.64 130.29 2gw6 n GLU 64 Ca -0.22 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.47 2gw6 n GLU 64 Cb 0.52 -2.13 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 2gw6 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gw6 n GLY 65 N 1.79 3.14 0.82 8.31 0.00 -1.26 -5.04 105.19 112.95 2gw6 n GLY 65 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.67 -0.05 0.00 1.61 1.02 -0.41 -5.04 120.64 117.10 2gw6 n GLU 66 Ca 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.66 2gw6 n GLU 66 Cb 0.00 -0.25 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 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 3.22 0.00 2.68 0.62 0.00 -1.26 -4.90 105.19 105.54 2gw6 n GLY 67 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.12 -0.30 0.99 1.02 -1.26 -5.09 118.68 113.92 2gw6 s LEU 68 Ca 0.00 -2.04 -0.12 0.00 0.02 0.00 0.00 54.13 52.00 2gw6 s LEU 68 Cb 0.00 0.74 0.15 0.00 0.02 0.00 0.00 46.19 47.11 2gw6 s LEU 68 CO 0.00 -0.16 0.83 0.00 0.02 0.00 0.00 176.35 177.03 2gw6 s GLN 69 N 0.87 0.42 -0.07 1.70 0.00 -1.26 -5.02 119.66 116.30 2gw6 s GLN 69 Ca 0.26 1.02 0.00 0.00 -0.00 0.00 0.00 55.36 56.64 2gw6 s GLN 69 Cb -0.04 0.61 0.02 0.00 0.00 0.00 0.00 33.01 33.60 2gw6 s GLN 69 CO -0.09 -0.18 -0.05 0.99 0.00 0.00 0.00 175.29 175.96 2gw6 s THR 70 N 2.69 0.68 -0.09 3.63 2.01 -1.26 -3.44 115.64 119.85 2gw6 s THR 70 Ca -0.02 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.87 2gw6 s THR 70 Cb -0.09 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 2gw6 s THR 70 CO -0.18 0.28 -0.16 0.68 -0.69 0.00 0.00 174.62 174.56 2gw6 s VAL 71 N 1.38 2.85 -0.09 3.82 -7.23 -0.32 -1.35 120.40 119.45 2gw6 s VAL 71 Ca -0.03 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2gw6 s VAL 71 Cb -0.13 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.68 2gw6 s VAL 71 CO -0.03 0.56 -0.10 0.54 -0.31 0.00 0.00 175.10 175.76 2gw6 s VAL 72 N -0.09 1.08 0.17 1.32 0.11 -0.77 -0.20 120.40 122.01 2gw6 s VAL 72 Ca -0.03 -0.38 -0.32 0.00 -2.93 0.00 0.00 61.98 58.33 2gw6 s VAL 72 Cb -0.14 -1.04 -0.11 0.00 -1.53 0.00 0.00 36.38 33.56 2gw6 s VAL 72 CO 0.04 0.36 1.68 -2.16 -3.33 0.00 0.00 175.10 171.69 2gw6 s PRO 73 N 1.23 4.16 -0.07 1.54 0.04 -1.26 -1.10 135.00 139.54 2gw6 s PRO 73 Ca -0.04 2.50 -0.03 0.00 0.04 0.00 0.00 61.00 63.48 2gw6 s PRO 73 Cb -0.14 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.23 2gw6 s PRO 73 CO -0.03 -0.72 0.14 0.99 0.04 0.00 0.00 177.00 177.42 2gw6 s THR 74 N 1.51 -0.19 0.65 1.26 2.01 0.15 -4.90 115.64 116.13 2gw6 s THR 74 Ca 0.74 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.95 2gw6 s THR 74 Cb -0.46 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 2gw6 s THR 74 CO 0.32 0.14 1.05 -2.16 -0.69 0.00 0.00 174.62 173.28 2gw6 s PRO 75 N 2.03 3.19 0.64 4.92 0.04 -1.26 -1.58 135.00 142.98 2gw6 s PRO 75 Ca 0.01 0.98 0.28 0.00 0.04 0.00 0.00 61.00 62.30 2gw6 s PRO 75 Cb -0.12 -2.02 1.46 0.00 0.04 0.00 0.00 34.50 33.86 2gw6 s PRO 75 CO -0.05 -0.90 1.84 0.82 0.04 0.00 0.00 177.00 178.75 2gw6 h ILE 76 N -0.30 0.14 -0.36 0.56 1.08 -1.90 -1.72 117.51 115.02 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 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2gw6 h ILE 76 CO 0.58 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 178.39 2gw6 n THR 77 N -3.18 0.83 -3.38 -0.27 -2.24 -1.26 -4.96 114.28 99.82 2gw6 n THR 77 Ca 0.02 -0.91 -0.24 0.00 -2.27 0.00 0.00 64.05 60.65 2gw6 n THR 77 Cb 0.55 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gw6 s ALA 78 N -1.02 3.69 -0.17 6.98 0.00 -0.65 -5.06 121.76 125.53 2gw6 s ALA 78 Ca 0.26 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 2gw6 s ALA 78 Cb 0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2gw6 s ALA 78 CO 0.19 0.01 -0.07 -1.54 0.00 0.00 0.00 175.76 174.35 2gw6 s SER 79 N -3.93 4.34 0.68 0.00 1.04 -1.26 -4.90 113.70 109.67 2gw6 s SER 79 Ca 0.40 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 2gw6 s SER 79 Cb -0.10 -1.71 0.06 0.00 0.10 0.00 0.00 66.02 64.38 2gw6 s SER 79 CO 0.35 0.10 0.97 -0.22 0.98 0.00 0.00 173.24 175.42 2gw6 s LEU 80 N 0.77 2.92 -0.07 2.42 1.98 -1.26 -4.92 118.68 120.53 2gw6 s LEU 80 Ca -0.03 0.30 -0.32 0.00 -2.89 0.00 0.00 54.13 51.19 2gw6 s LEU 80 Cb -0.15 -2.97 0.13 0.00 0.66 0.00 0.00 46.19 43.86 2gw6 s LEU 80 CO 0.02 -1.55 1.26 -0.94 -1.89 0.00 0.00 176.35 173.26 2gw6 s SER 81 N -4.52 -0.08 0.29 3.68 1.04 -1.26 -4.83 113.70 108.01 2gw6 s SER 81 Ca 0.60 -0.10 0.24 0.00 0.48 0.00 0.00 55.95 57.18 2gw6 s SER 81 Cb -0.10 0.16 1.05 0.00 0.10 0.00 0.00 66.02 67.22 2gw6 s SER 81 CO 0.43 -0.28 1.72 1.12 0.98 0.00 0.00 173.24 177.22 2gw6 h HIS 82 N 2.00 0.00 0.04 5.02 2.07 -2.00 -1.66 115.15 120.62 2gw6 h HIS 82 Ca -0.24 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.05 2gw6 h HIS 82 Cb 1.19 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.19 2gw6 h HIS 82 CO 0.31 0.00 -0.94 -0.91 -3.07 0.00 0.00 177.93 173.32 2gw6 h ASN 83 N 0.00 0.75 -0.33 3.10 2.35 -1.99 -3.10 115.58 116.35 2gw6 h ASN 83 Ca 0.00 -0.78 0.02 0.00 -0.55 0.00 0.00 56.30 54.98 2gw6 h ASN 83 Cb 0.31 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2gw6 h ASN 83 CO 0.00 1.45 0.18 -0.09 -1.65 0.00 0.00 177.43 177.32 2gw6 h ARG 84 N 0.14 0.37 -0.70 0.81 9.65 -1.73 -1.68 114.38 121.24 2gw6 h ARG 84 Ca -0.13 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.75 2gw6 h ARG 84 Cb 1.63 -0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 30.08 2gw6 h ARG 84 CO 0.18 0.24 0.45 0.97 2.80 0.00 0.00 179.97 184.61 2gw6 h ILE 85 N 0.38 1.12 -0.79 1.20 2.10 -1.42 -1.96 117.51 118.14 2gw6 h ILE 85 Ca 0.13 -0.30 0.15 0.00 1.08 0.00 0.00 64.86 65.92 2gw6 h ILE 85 Cb 0.02 0.16 -0.05 0.00 -1.09 0.00 0.00 36.82 35.85 2gw6 h ILE 85 CO -0.07 0.16 0.52 -0.09 -1.08 0.00 0.00 178.15 177.59 2gw6 h ARG 86 N 0.89 0.46 0.08 2.19 1.12 -1.30 0.44 114.38 118.25 2gw6 h ARG 86 Ca 0.27 -0.03 -0.15 0.00 -1.11 0.00 0.00 59.98 58.96 2gw6 h ARG 86 Cb -0.02 -0.10 0.02 0.00 -0.01 0.00 0.00 29.97 29.85 2gw6 h ARG 86 CO -0.09 0.30 -0.64 0.93 -3.11 0.00 0.00 179.97 177.36 2gw6 h GLU 87 N 0.47 0.30 -0.17 0.20 5.08 -0.72 -2.63 114.58 117.10 2gw6 h GLU 87 Ca 0.39 -0.43 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 2gw6 h GLU 87 Cb 0.84 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2gw6 h GLU 87 CO -0.14 1.16 -0.46 0.82 -1.00 0.00 0.00 179.01 179.39 2gw6 h ILE 88 N -0.35 1.32 -0.02 3.13 2.04 -0.72 -0.97 117.51 121.94 2gw6 h ILE 88 Ca -0.10 -1.66 0.03 0.00 1.00 0.00 0.00 64.86 64.12 2gw6 h ILE 88 Cb 1.45 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.17 2gw6 h ILE 88 CO 0.12 0.51 -0.23 -0.07 0.00 0.00 0.00 178.15 178.48 2gw6 h LEU 89 N 0.36 -0.69 -0.97 1.44 3.38 -0.23 0.32 115.31 118.91 2gw6 h LEU 89 Ca 0.02 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.23 2gw6 h LEU 89 Cb 0.95 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.90 2gw6 h LEU 89 CO 0.08 -0.30 0.59 0.50 0.09 0.00 0.00 178.44 179.40 2gw6 h LYS 90 N -0.36 0.83 0.44 1.13 3.64 -1.06 0.39 116.57 121.58 2gw6 h LYS 90 Ca 0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2gw6 h LYS 90 Cb 0.45 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2gw6 h LYS 90 CO -0.22 0.55 -0.21 0.00 -2.27 0.00 0.00 179.45 177.30 2gw6 h ALA 91 N 1.57 -0.59 -0.94 5.00 0.00 -0.65 -1.81 119.26 121.84 2gw6 h ALA 91 Ca 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2gw6 h ALA 91 Cb 0.63 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2gw6 h ALA 91 CO -0.31 -0.75 0.58 0.66 0.00 0.00 0.00 179.25 179.42 2gw6 h SER 92 N -0.76 1.12 0.76 0.00 4.64 0.57 -1.24 113.55 118.65 2gw6 h SER 92 Ca -0.06 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2gw6 h SER 92 Cb 0.53 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2gw6 h SER 92 CO 0.10 0.85 -0.05 0.08 -0.87 0.00 0.00 176.83 176.94 2gw6 h ARG 93 N 1.30 0.00 -0.16 4.77 0.11 -0.26 0.56 114.38 120.70 2gw6 h ARG 93 Ca 0.34 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.33 2gw6 h ARG 93 Cb -0.07 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.01 2gw6 h ARG 93 CO -0.07 0.05 -0.24 -0.22 0.10 0.00 0.00 179.97 179.60 2gw6 h LYS 94 N 0.00 0.45 0.05 0.08 3.64 -0.33 -3.18 116.57 117.29 2gw6 h LYS 94 Ca -0.00 -0.26 -0.25 0.00 -1.27 0.00 0.00 60.65 58.86 2gw6 h LYS 94 Cb 0.44 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2gw6 h LYS 94 CO 0.01 0.85 -1.25 -0.07 -2.27 0.00 0.00 179.45 176.72 2gw6 h LEU 95 N 0.08 0.18 -0.33 5.20 -0.00 -1.11 -3.35 115.31 115.97 2gw6 h LEU 95 Ca 0.02 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2gw6 h LEU 95 Cb 0.81 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2gw6 h LEU 95 CO 0.06 1.17 -0.04 0.00 -0.00 0.00 0.00 178.44 179.62 2gw6 n GLN 96 N -3.37 1.03 -0.24 1.13 6.02 0.16 -4.92 117.38 117.18 2gw6 n GLN 96 Ca -0.07 -0.33 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 2gw6 n GLN 96 Cb 0.99 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.76 2gw6 n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gw6 n GLY 97 N 1.16 0.69 2.64 1.08 0.00 -1.22 -5.02 105.19 104.53 2gw6 n GLY 97 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.73 3.74 0.00 1.61 1.11 -1.20 -4.99 116.67 114.20 2gw6 s ASP 98 Ca 0.00 -1.67 0.19 0.00 0.18 0.00 0.00 52.55 51.24 2gw6 s ASP 98 Cb 0.00 -0.67 1.11 0.00 1.07 0.00 0.00 42.92 44.42 2gw6 s ASP 98 CO 0.00 -0.40 1.52 -0.81 1.18 0.00 0.00 175.17 176.67 2gw6 n PRO 99 N 4.78 0.67 0.00 8.23 -0.04 -1.23 -2.32 135.00 145.08 2gw6 n PRO 99 Ca -0.01 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.47 2gw6 n PRO 99 Cb 0.41 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2gw6 n PRO 99 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2gw6 n ASP 100 N -0.93 0.66 -4.67 3.54 5.75 -1.26 -4.96 116.55 114.67 2gw6 n ASP 100 Ca 0.14 -0.83 -0.39 0.00 -0.01 0.00 0.00 54.79 53.71 2gw6 n ASP 100 Cb 0.06 0.57 -0.07 0.00 -1.03 0.00 0.00 41.12 40.65 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2gw6 s LEU 101 N -1.36 4.15 -0.13 -2.12 1.43 -0.98 -5.07 118.68 114.60 2gw6 s LEU 101 Ca 0.03 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.60 2gw6 s LEU 101 Cb 0.03 -2.60 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2gw6 s LEU 101 CO 0.10 -0.12 0.23 -2.16 0.23 0.00 0.00 176.35 174.63 2gw6 s PRO 102 N 1.45 3.91 0.00 1.29 0.04 -1.26 -4.63 135.00 135.80 2gw6 s PRO 102 Ca 0.21 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.27 2gw6 s PRO 102 Cb -0.15 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2gw6 s PRO 102 CO 0.09 0.51 0.00 0.00 0.04 0.00 0.00 177.00 177.64 2gw6 n MET 103 N 2.72 0.00 -1.59 4.56 0.00 -1.26 -5.06 117.12 116.49 2gw6 n MET 103 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 2gw6 n MET 103 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 2gw6 n MET 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2gw6 n SER 104 N -1.77 0.00 -3.72 3.17 7.64 -1.26 -4.21 113.62 113.48 2gw6 n SER 104 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2gw6 n SER 104 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2gw6 n SER 104 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2gw6 s PHE 105 N -2.36 -0.10 -0.17 1.43 -0.12 -1.25 -4.54 117.98 110.88 2gw6 s PHE 105 Ca 0.00 -0.24 -0.07 0.00 -0.05 0.00 0.00 56.93 56.58 2gw6 s PHE 105 Cb 0.00 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 2gw6 s PHE 105 CO 0.00 -0.80 0.05 0.99 -0.05 0.00 0.00 175.22 175.41 2gw6 s THR 106 N -3.85 4.74 -0.16 -4.49 2.01 -0.46 -2.80 115.64 110.62 2gw6 s THR 106 Ca 0.07 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 2gw6 s THR 106 Cb 0.01 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 2gw6 s THR 106 CO -0.06 0.49 0.89 -0.76 -0.69 0.00 0.00 174.62 174.49 2gw6 s LEU 107 N 0.12 4.18 -0.60 4.42 1.43 0.12 -1.85 118.68 126.51 2gw6 s LEU 107 Ca 0.05 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 2gw6 s LEU 107 Cb -0.12 -3.34 0.14 0.00 0.03 0.00 0.00 46.19 42.90 2gw6 s LEU 107 CO 0.01 -0.43 0.57 0.00 0.23 0.00 0.00 176.35 176.72 2gw6 s ALA 108 N 2.21 3.70 0.00 4.21 0.00 -0.26 -1.27 121.76 130.35 2gw6 s ALA 108 Ca 0.41 -2.64 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 2gw6 s ALA 108 Cb -0.17 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2gw6 s ALA 108 CO 0.13 -2.10 0.40 0.42 0.00 0.00 0.00 175.76 174.61 2gw6 s ILE 109 N 1.47 5.05 -0.07 0.00 1.01 0.07 0.33 121.20 129.06 2gw6 s ILE 109 Ca 0.07 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.54 2gw6 s ILE 109 Cb -0.26 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.52 2gw6 s ILE 109 CO 0.01 0.56 -0.14 0.68 0.00 0.00 0.00 174.94 176.05 2gw6 s VAL 110 N -1.10 1.30 0.47 2.92 -7.23 -0.61 0.41 120.40 116.56 2gw6 s VAL 110 Ca 0.24 -0.57 -0.10 0.00 -1.81 0.00 0.00 61.98 59.73 2gw6 s VAL 110 Cb -0.16 -1.17 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 2gw6 s VAL 110 CO 0.13 0.39 0.84 -0.70 -0.31 0.00 0.00 175.10 175.46 2gw6 s GLU 111 N 0.61 3.73 0.50 4.82 -6.30 -0.47 -2.66 118.70 118.93 2gw6 s GLU 111 Ca -0.15 0.53 0.18 0.00 -2.50 0.00 0.00 54.97 53.03 2gw6 s GLU 111 Cb -0.16 -2.30 1.25 0.00 0.00 0.00 0.00 34.13 32.91 2gw6 s GLU 111 CO 0.05 -0.18 2.06 1.03 0.02 0.00 0.00 175.26 178.24 2gw6 h SER 112 N 0.76 0.09 0.04 -1.70 0.87 -2.00 -3.21 113.55 108.40 2gw6 h SER 112 Ca -0.47 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2gw6 h SER 112 Cb 1.19 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2gw6 h SER 112 CO 0.63 0.06 -0.02 -0.78 -0.53 0.00 0.00 176.83 176.19 2gw6 h ASP 113 N 0.10 -0.04 0.00 6.23 1.82 -2.05 -3.48 116.42 119.01 2gw6 h ASP 113 Ca 0.14 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2gw6 h ASP 113 Cb 0.43 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.45 2gw6 h ASP 113 CO -0.01 0.50 0.00 -1.20 -1.61 0.00 0.00 179.24 176.92 2gw6 n SER 114 N -4.80 0.00 -4.65 2.28 7.64 -1.21 -5.13 113.62 107.75 2gw6 n SER 114 Ca -0.02 -0.12 -0.39 0.00 1.01 0.00 0.00 58.87 59.36 2gw6 n SER 114 Cb 0.07 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 2gw6 n SER 114 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2gw6 s THR 115 N 0.00 5.14 -0.25 0.44 -4.23 -1.26 -4.93 115.64 110.54 2gw6 s THR 115 Ca 0.00 0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 61.19 2gw6 s THR 115 Cb 0.00 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 2gw6 s THR 115 CO 0.00 0.18 0.26 -0.63 -0.54 0.00 0.00 174.62 173.88 2gw6 s ILE 116 N 1.74 5.28 -0.25 2.99 1.09 -1.25 -1.37 121.20 129.43 2gw6 s ILE 116 Ca 0.21 0.35 0.02 0.00 -1.10 0.00 0.00 60.65 60.13 2gw6 s ILE 116 Cb -0.15 -3.59 0.06 0.00 -1.06 0.00 0.00 42.46 37.71 2gw6 s ILE 116 CO 0.09 0.26 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.40 2gw6 s VAL 117 N 1.54 2.01 -0.16 2.92 1.01 0.17 -4.90 120.40 122.99 2gw6 s VAL 117 Ca 0.11 -1.50 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 2gw6 s VAL 117 Cb -0.15 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2gw6 s VAL 117 CO 0.08 -0.01 0.92 -0.31 0.00 0.00 0.00 175.10 175.78 2gw6 s TYR 118 N 1.18 3.44 -0.05 5.22 1.51 -1.25 -0.75 117.35 126.65 2gw6 s TYR 118 Ca -0.07 1.40 0.02 0.00 -1.01 0.00 0.00 57.07 57.40 2gw6 s TYR 118 Cb -0.19 -3.10 0.02 0.00 -0.11 0.00 0.00 41.96 38.57 2gw6 s TYR 118 CO -0.06 -0.27 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.56 2gw6 s TYR 119 N 2.24 1.14 -0.15 2.71 5.04 -0.39 -4.94 117.35 122.99 2gw6 s TYR 119 Ca 0.42 -0.38 -0.08 0.00 -2.44 0.00 0.00 57.07 54.59 2gw6 s TYR 119 Cb -0.17 -0.88 -0.04 0.00 0.35 0.00 0.00 41.96 41.22 2gw6 s TYR 119 CO 0.13 -0.23 0.12 0.21 -1.34 0.00 0.00 175.55 174.44 2gw6 s LYS 120 N 0.74 3.72 0.05 4.97 2.36 -1.26 0.12 119.74 130.43 2gw6 s LYS 120 Ca -0.13 -0.20 0.06 0.00 -2.55 0.00 0.00 55.97 53.14 2gw6 s LYS 120 Cb -0.15 -3.24 -0.02 0.00 -1.05 0.00 0.00 37.83 33.36 2gw6 s LYS 120 CO 0.02 0.56 -0.16 -0.48 1.55 0.00 0.00 175.35 176.84 2gw6 s LEU 121 N -0.40 2.18 0.07 5.43 2.34 -1.12 -4.99 118.68 122.19 2gw6 s LEU 121 Ca 0.11 -0.49 0.04 0.00 0.06 0.00 0.00 54.13 53.84 2gw6 s LEU 121 Cb -0.12 -0.70 -0.03 0.00 -0.56 0.00 0.00 46.19 44.79 2gw6 s LEU 121 CO 0.01 0.06 -0.11 0.28 -1.06 0.00 0.00 176.35 175.53 2gw6 s THR 122 N -0.88 0.85 0.00 5.48 -1.32 -1.26 -3.86 115.64 114.65 2gw6 s THR 122 Ca 0.03 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 2gw6 s THR 122 Cb -0.08 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 2gw6 s THR 122 CO 0.02 -0.40 0.00 -0.67 -2.21 0.00 0.00 174.62 171.36