#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw6 h GLU 2 N 0.00 0.36 -5.69 1.43 4.11 -2.03 -3.40 114.58 109.37 2gw6 h GLU 2 Ca 0.00 -0.32 -0.59 0.00 0.07 0.00 0.00 59.36 58.51 2gw6 h GLU 2 Cb 0.00 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.23 2gw6 h GLU 2 CO 0.00 0.98 0.21 0.16 0.07 0.00 0.00 179.01 180.43 2gw6 s ASP 3 N -6.98 6.73 0.00 3.06 -4.77 -1.26 -4.85 116.67 108.59 2gw6 s ASP 3 Ca -0.05 0.89 0.07 0.00 -3.30 0.00 0.00 52.55 50.16 2gw6 s ASP 3 Cb 0.10 -2.37 0.12 0.00 -1.09 0.00 0.00 42.92 39.68 2gw6 s ASP 3 CO 0.84 -0.34 1.03 0.00 0.70 0.00 0.00 175.17 177.40 2gw6 n ALA 4 N 5.32 3.30 -0.84 2.11 0.00 -1.26 -4.66 120.51 124.47 2gw6 n ALA 4 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2gw6 n ALA 4 Cb 0.49 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2gw6 n ALA 4 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2gw6 n TRP 5 N 0.14 0.00 0.34 0.00 7.02 -1.26 -4.90 117.44 118.77 2gw6 n TRP 5 Ca -0.17 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.41 2gw6 n TRP 5 Cb 0.82 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.56 2gw6 n TRP 5 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2gw6 n MET 6 N -1.30 0.45 -2.70 -0.99 2.81 -1.26 -4.76 117.12 109.37 2gw6 n MET 6 Ca 0.00 -0.13 -0.06 0.00 -1.81 0.00 0.00 57.70 55.70 2gw6 n MET 6 Cb 0.00 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.09 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 1.35 -0.61 0.07 3.03 0.00 -1.26 -4.97 105.19 102.80 2gw6 n GLY 7 Ca -0.01 0.49 0.01 0.00 0.00 0.00 0.00 46.02 46.50 2gw6 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gw6 n THR 8 N 1.01 0.88 -2.52 2.61 5.66 -1.26 -4.70 114.28 115.96 2gw6 n THR 8 Ca 0.03 -0.68 -0.42 0.00 -3.05 0.00 0.00 64.05 59.92 2gw6 n THR 8 Cb 0.70 -0.42 -0.03 0.00 -1.55 0.00 0.00 70.33 69.03 2gw6 n THR 8 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 2gw6 s HIS 9 N -2.98 3.27 0.31 1.09 3.76 -1.26 -4.88 115.29 114.60 2gw6 s HIS 9 Ca -0.06 1.31 0.07 0.00 -0.15 0.00 0.00 55.06 56.23 2gw6 s HIS 9 Cb 0.09 -3.36 0.84 0.00 1.11 0.00 0.00 32.58 31.27 2gw6 s HIS 9 CO 0.84 -1.02 1.66 -1.35 -0.85 0.00 0.00 174.74 174.03 2gw6 h PRO 10 N 7.38 0.28 0.00 8.40 0.11 -1.98 0.27 132.00 146.46 2gw6 h PRO 10 Ca -0.33 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.59 2gw6 h PRO 10 Cb 1.15 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2gw6 h PRO 10 CO 0.88 0.19 -0.82 1.57 -0.21 0.00 0.00 178.00 179.60 2gw6 h LYS 11 N 0.29 0.00 -0.05 1.05 2.10 -1.98 0.26 116.57 118.24 2gw6 h LYS 11 Ca 0.62 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.25 2gw6 h LYS 11 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2gw6 h LYS 11 CO -0.62 0.82 -0.04 -0.92 -2.00 0.00 0.00 179.45 176.69 2gw6 h TYR 12 N 0.00 0.14 -0.98 0.07 3.20 -1.40 -2.45 116.97 115.55 2gw6 h TYR 12 Ca -0.01 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.83 2gw6 h TYR 12 Cb 1.46 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.65 2gw6 h TYR 12 CO 0.00 0.55 0.65 1.25 -1.64 0.00 0.00 178.16 178.96 2gw6 h LEU 13 N -0.31 1.12 -0.68 2.82 5.85 -0.51 0.36 115.31 123.96 2gw6 h LEU 13 Ca 0.01 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.83 2gw6 h LEU 13 Cb 0.52 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 2gw6 h LEU 13 CO 0.01 0.81 0.20 -0.08 -0.34 0.00 0.00 178.44 179.04 2gw6 h GLU 14 N 1.32 0.32 0.01 1.25 4.57 -0.46 0.07 114.58 121.66 2gw6 h GLU 14 Ca 0.36 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.32 2gw6 h GLU 14 Cb -0.15 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 2gw6 h GLU 14 CO -0.08 0.21 -0.88 1.98 -1.18 0.00 0.00 179.01 179.06 2gw6 h MET 15 N 0.33 0.18 -0.61 1.92 4.05 -0.76 -3.25 114.93 116.78 2gw6 h MET 15 Ca 0.37 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.51 2gw6 h MET 15 Cb 0.56 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 2gw6 h MET 15 CO -0.42 0.95 0.08 1.98 0.23 0.00 0.00 176.91 179.73 2gw6 h MET 16 N 0.10 1.01 0.00 0.39 -1.53 0.60 -2.19 114.93 113.30 2gw6 h MET 16 Ca -0.04 -0.26 0.00 0.00 -3.44 0.00 0.00 59.70 55.95 2gw6 h MET 16 Cb 1.52 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 32.45 2gw6 h MET 16 CO 0.13 0.94 0.00 -1.91 0.14 0.00 0.00 176.91 176.21 2gw6 n GLU 17 N -4.22 0.08 -1.72 0.39 2.13 -0.07 -4.70 120.64 112.54 2gw6 n GLU 17 Ca 0.04 0.24 -0.42 0.00 0.66 0.00 0.00 57.16 57.68 2gw6 n GLU 17 Cb 0.29 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.49 2gw6 n GLU 17 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2gw6 n LEU 18 N -1.40 3.84 -0.80 4.31 7.94 -0.82 -4.84 117.00 125.23 2gw6 n LEU 18 Ca 0.04 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 2gw6 n LEU 18 Cb 0.12 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.55 2gw6 n LEU 18 CO 0.10 -0.30 0.01 0.47 -1.11 0.00 0.00 177.39 176.56 2gw6 n ASP 19 N 0.90 0.03 0.00 1.96 9.92 -1.26 -3.33 116.55 124.77 2gw6 n ASP 19 Ca 0.05 -0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2gw6 n ASP 19 Cb 0.36 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 2gw6 n ASP 19 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2gw6 n ILE 20 N 0.79 0.00 -3.35 0.53 5.41 -1.26 -4.73 119.36 116.75 2gw6 n ILE 20 Ca 0.00 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.49 2gw6 n ILE 20 Cb 0.01 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 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 -0.72 -0.16 3.92 7.39 0.00 -1.21 -4.98 105.19 109.43 2gw6 n GLY 21 Ca 0.00 0.87 -0.28 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.46 6.39 0.35 1.61 -1.08 -1.26 -4.87 116.67 116.36 2gw6 s ASP 22 Ca 0.27 0.42 0.10 0.00 -0.52 0.00 0.00 52.55 52.82 2gw6 s ASP 22 Cb -0.03 -2.02 0.85 0.00 -1.46 0.00 0.00 42.92 40.26 2gw6 s ASP 22 CO 0.65 -0.04 1.83 0.00 0.52 0.00 0.00 175.17 178.13 2gw6 h ALA 23 N 2.07 1.87 0.16 3.66 0.00 -1.98 0.39 119.26 125.43 2gw6 h ALA 23 Ca -0.48 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 2gw6 h ALA 23 Cb 1.19 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.91 2gw6 h ALA 23 CO 0.68 -0.18 -1.01 1.15 0.00 0.00 0.00 179.25 179.89 2gw6 h THR 24 N 0.66 1.40 -0.03 0.00 2.02 -1.99 -2.53 112.91 112.44 2gw6 h THR 24 Ca 0.51 -2.55 0.02 0.00 0.77 0.00 0.00 66.41 65.16 2gw6 h THR 24 Cb 0.91 3.11 -0.02 0.00 -1.74 0.00 0.00 68.15 70.41 2gw6 h THR 24 CO -0.26 0.73 -0.08 -0.61 0.37 0.00 0.00 175.52 175.67 2gw6 h GLN 25 N -0.28 -0.11 -0.90 6.66 -0.00 -1.78 -1.83 115.11 116.88 2gw6 h GLN 25 Ca -0.19 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.46 2gw6 h GLN 25 Cb 1.75 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 29.21 2gw6 h GLN 25 CO 0.16 -0.08 0.53 0.28 0.00 0.00 0.00 178.83 179.72 2gw6 h VAL 26 N -0.12 1.25 -0.35 2.39 2.07 -0.36 -0.37 116.25 120.77 2gw6 h VAL 26 Ca 0.04 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.06 2gw6 h VAL 26 Cb 0.17 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.88 2gw6 h VAL 26 CO -0.10 0.27 -0.09 0.22 0.02 0.00 0.00 177.57 177.89 2gw6 h TYR 27 N 1.24 -0.19 -0.04 1.57 3.20 -1.02 0.31 116.97 122.04 2gw6 h TYR 27 Ca 0.32 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2gw6 h TYR 27 Cb -0.03 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2gw6 h TYR 27 CO 0.00 -0.15 -0.03 0.28 -1.64 0.00 0.00 178.16 176.62 2gw6 h VAL 28 N -0.00 1.37 -0.88 1.81 2.07 -0.81 -2.57 116.25 117.24 2gw6 h VAL 28 Ca 0.17 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 2gw6 h VAL 28 Cb 0.26 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2gw6 h VAL 28 CO -0.36 0.31 0.46 0.00 0.02 0.00 0.00 177.57 178.00 2gw6 h ALA 29 N 0.56 1.13 -0.55 1.67 0.00 -0.96 -2.29 119.26 118.81 2gw6 h ALA 29 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2gw6 h ALA 29 Cb 0.51 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2gw6 h ALA 29 CO 0.01 0.65 0.36 0.35 0.00 0.00 0.00 179.25 180.62 2gw6 h PHE 30 N 1.23 0.70 -0.58 0.00 3.57 -0.35 0.20 116.94 121.71 2gw6 h PHE 30 Ca 0.31 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 2gw6 h PHE 30 Cb 0.06 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2gw6 h PHE 30 CO 0.01 0.45 0.18 -0.07 -2.23 0.00 0.00 178.31 176.65 2gw6 h LEU 31 N 0.75 0.84 -0.27 0.59 -0.00 -1.16 -0.78 115.31 115.28 2gw6 h LEU 31 Ca 0.20 -0.21 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 2gw6 h LEU 31 Cb -0.08 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.37 2gw6 h LEU 31 CO -0.04 0.82 -0.79 -0.37 -0.00 0.00 0.00 178.44 178.06 2gw6 h VAL 32 N 0.81 1.34 -0.39 1.22 -1.51 -1.16 -2.08 116.25 114.48 2gw6 h VAL 32 Ca 0.19 -2.12 0.08 0.00 -1.23 0.00 0.00 66.70 63.62 2gw6 h VAL 32 Cb 0.28 2.11 -0.08 0.00 -2.13 0.00 0.00 31.29 31.47 2gw6 h VAL 32 CO -0.01 0.65 -0.12 0.22 -1.23 0.00 0.00 177.57 177.09 2gw6 h TYR 33 N 0.38 -0.26 0.00 5.19 3.20 -0.42 0.18 116.97 125.23 2gw6 h TYR 33 Ca -0.05 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2gw6 h TYR 33 Cb 1.40 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.84 2gw6 h TYR 33 CO 0.06 -0.19 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.16 2gw6 h LEU 34 N -0.03 0.00 0.09 2.82 4.07 -1.08 -1.30 115.31 119.89 2gw6 h LEU 34 Ca 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.15 2gw6 h LEU 34 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2gw6 h LEU 34 CO -0.42 0.17 -0.04 -0.78 -1.08 0.00 0.00 178.44 176.29 2gw6 h ASP 35 N 0.00 -0.10 -0.56 -0.43 1.82 -0.44 0.15 116.42 116.86 2gw6 h ASP 35 Ca -0.00 -0.49 0.11 0.00 -0.39 0.00 0.00 57.03 56.26 2gw6 h ASP 35 Cb 0.30 0.03 -0.10 0.00 0.68 0.00 0.00 39.33 40.24 2gw6 h ASP 35 CO 0.02 0.51 -0.03 -0.07 -1.61 0.00 0.00 179.24 178.06 2gw6 h LEU 36 N -0.79 -0.30 0.10 2.28 3.38 -0.58 0.61 115.31 120.02 2gw6 h LEU 36 Ca -0.01 0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 2gw6 h LEU 36 Cb 0.58 0.26 0.02 0.00 0.09 0.00 0.00 40.66 41.62 2gw6 h LEU 36 CO 0.02 -0.11 -0.88 -0.03 0.09 0.00 0.00 178.44 177.53 2gw6 h MET 37 N 0.09 0.41 0.00 1.13 4.05 -1.28 0.33 114.93 119.66 2gw6 h MET 37 Ca 0.29 -0.58 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 2gw6 h MET 37 Cb 0.45 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 2gw6 h MET 37 CO -0.50 1.24 -1.75 0.39 0.23 0.00 0.00 176.91 176.52 2gw6 n GLU 38 N -4.07 0.50 -0.01 0.39 -0.58 0.04 -3.45 120.64 113.46 2gw6 n GLU 38 Ca -0.13 -0.15 -0.05 0.00 -0.42 0.00 0.00 57.16 56.41 2gw6 n GLU 38 Cb 0.83 -1.51 -0.02 0.00 -0.57 0.00 0.00 31.44 30.17 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 -2.07 1.36 0.00 1.62 2.88 0.15 -4.65 113.62 112.90 2gw6 n SER 39 Ca -0.02 0.20 0.14 0.00 -1.33 0.00 0.00 58.87 57.86 2gw6 n SER 39 Cb 0.51 -0.48 0.66 0.00 -0.75 0.00 0.00 64.21 64.15 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 -3.83 0.15 -3.45 -1.46 0.00 0.16 -4.97 118.16 104.77 2gw6 n LYS 40 Ca -0.08 0.01 -0.13 0.00 0.00 0.00 0.00 58.31 58.11 2gw6 n LYS 40 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.79 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 -1.42 -6.23 -4.81 3.14 7.64 0.85 -4.92 113.62 107.87 2gw6 n SER 41 Ca 0.09 -0.55 -0.36 0.00 1.01 0.00 0.00 58.87 59.07 2gw6 n SER 41 Cb 0.30 -3.40 -0.06 0.00 -1.01 0.00 0.00 64.21 60.03 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 -3.00 3.59 0.26 1.43 0.52 0.58 -4.96 118.94 117.35 2gw6 s TRP 42 Ca 0.01 1.47 0.05 0.00 0.02 0.00 0.00 56.10 57.65 2gw6 s TRP 42 Cb -0.00 -2.70 0.33 0.00 -1.15 0.00 0.00 33.47 29.95 2gw6 s TRP 42 CO 0.83 0.23 1.62 1.25 0.02 0.00 0.00 176.95 180.91 2gw6 h HIS 43 N 3.07 0.34 -2.05 -1.98 -0.00 -1.36 -3.45 115.15 109.71 2gw6 h HIS 43 Ca -0.48 -0.11 -0.00 0.00 -0.00 0.00 0.00 60.37 59.78 2gw6 h HIS 43 Cb 1.19 -0.07 -0.21 0.00 -0.00 0.00 0.00 27.41 28.32 2gw6 h HIS 43 CO 0.63 0.72 0.02 -2.00 -0.00 0.00 0.00 177.93 177.30 2gw6 s GLU 44 N -3.98 0.72 -0.10 5.26 2.56 -0.48 -4.95 118.70 117.73 2gw6 s GLU 44 Ca -0.05 1.14 -0.01 0.00 0.00 0.00 0.00 54.97 56.06 2gw6 s GLU 44 Cb 0.13 0.19 0.03 0.00 2.00 0.00 0.00 34.13 36.47 2gw6 s GLU 44 CO 0.79 -0.14 -0.04 0.08 -0.56 0.00 0.00 175.26 175.39 2gw6 s VAL 45 N 1.33 0.79 0.13 3.70 1.01 -1.26 -0.99 120.40 125.11 2gw6 s VAL 45 Ca -0.08 -0.17 0.11 0.00 0.00 0.00 0.00 61.98 61.84 2gw6 s VAL 45 Cb -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2gw6 s VAL 45 CO -0.15 0.30 -0.27 0.54 0.00 0.00 0.00 175.10 175.53 2gw6 s ASN 46 N 1.80 3.28 -0.07 3.32 2.20 -0.24 -4.96 114.94 120.26 2gw6 s ASN 46 Ca 0.05 -0.75 0.03 0.00 -0.94 0.00 0.00 52.86 51.24 2gw6 s ASN 46 Cb -0.13 -0.22 0.01 0.00 -2.00 0.00 0.00 41.25 38.92 2gw6 s ASN 46 CO -0.07 0.17 -0.15 0.00 -2.94 0.00 0.00 177.10 174.11 2gw6 s VAL 48 N 0.58 0.25 -0.05 0.00 1.01 -0.80 -5.01 120.40 116.37 2gw6 s VAL 48 Ca -0.16 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2gw6 s VAL 48 Cb -0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2gw6 s VAL 48 CO 0.05 -0.12 -0.22 -0.83 0.00 0.00 0.00 175.10 173.98 2gw6 s GLY 49 N -0.58 1.36 -0.59 4.51 0.00 -1.26 -0.87 107.32 109.88 2gw6 s GLY 49 Ca -0.04 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.65 2gw6 s GLY 49 CO -0.00 -0.75 0.37 1.08 0.00 0.00 0.00 173.10 173.80 2gw6 s LEU 50 N -0.43 4.71 0.58 0.66 1.43 0.20 -4.89 118.68 120.94 2gw6 s LEU 50 Ca 0.04 -3.09 0.28 0.00 -1.03 0.00 0.00 54.13 50.34 2gw6 s LEU 50 Cb -0.12 -1.72 1.53 0.00 0.03 0.00 0.00 46.19 45.91 2gw6 s LEU 50 CO 0.01 -0.26 1.99 -0.65 0.23 0.00 0.00 176.35 177.68 2gw6 h PRO 51 N 6.53 0.00 -0.22 1.29 0.11 -1.85 0.33 132.00 138.19 2gw6 h PRO 51 Ca -0.03 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 2gw6 h PRO 51 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2gw6 h PRO 51 CO 0.71 0.00 -0.40 0.93 -0.21 0.00 0.00 178.00 179.02 2gw6 h GLU 52 N 0.00 0.67 0.00 1.05 3.07 -1.95 -2.75 114.58 114.67 2gw6 h GLU 52 Ca 0.17 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2gw6 h GLU 52 Cb 0.87 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 2gw6 h GLU 52 CO -0.00 1.04 -0.81 1.28 -1.40 0.00 0.00 179.01 179.12 2gw6 n LEU 53 N -4.22 0.63 -2.84 1.33 4.32 -1.02 -4.93 117.00 110.28 2gw6 n LEU 53 Ca -0.05 -0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.72 2gw6 n LEU 53 Cb 0.54 -0.15 0.01 0.00 -1.62 0.00 0.00 43.42 42.21 2gw6 n LEU 53 CO 0.46 0.06 -0.10 1.67 -1.22 0.00 0.00 177.39 178.27 2gw6 n GLN 54 N -1.83 -3.54 -3.76 3.23 7.27 0.11 -4.96 117.38 113.90 2gw6 n GLN 54 Ca 0.03 0.84 -0.36 0.00 0.07 0.00 0.00 57.00 57.58 2gw6 n GLN 54 Cb 0.40 -5.60 -0.07 0.00 2.41 0.00 0.00 30.24 27.38 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2gw6 s LEU 55 N -6.37 4.31 -0.07 1.69 1.43 -0.90 -4.89 118.68 113.88 2gw6 s LEU 55 Ca 0.20 0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2gw6 s LEU 55 Cb -0.09 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 2gw6 s LEU 55 CO 0.25 0.28 0.07 -0.63 0.23 0.00 0.00 176.35 176.55 2gw6 s ILE 56 N -0.31 4.85 -0.07 -0.59 -1.09 -1.26 -0.63 121.20 122.10 2gw6 s ILE 56 Ca 0.13 -0.15 -0.00 0.00 -2.23 0.00 0.00 60.65 58.40 2gw6 s ILE 56 Cb -0.12 -3.13 0.02 0.00 -1.58 0.00 0.00 42.46 37.66 2gw6 s ILE 56 CO 0.02 0.52 -0.03 0.00 -1.23 0.00 0.00 174.94 174.22 2gw6 s LEU 58 N 1.55 4.35 -0.01 0.00 2.96 -0.83 -1.91 118.68 124.79 2gw6 s LEU 58 Ca -0.01 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2gw6 s LEU 58 Cb -0.13 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 2gw6 s LEU 58 CO -0.04 -0.22 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.99 2gw6 s VAL 59 N 1.84 0.75 0.00 1.68 1.01 0.09 -1.43 120.40 124.35 2gw6 s VAL 59 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2gw6 s VAL 59 Cb -0.17 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2gw6 s VAL 59 CO 0.11 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2gw6 n GLY 60 N 2.96 2.62 3.32 4.51 0.00 -1.22 -1.08 105.19 116.31 2gw6 n GLY 60 Ca -0.15 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.85 4.39 0.29 2.61 -4.23 -0.16 -3.86 115.64 111.83 2gw6 s THR 61 Ca 0.00 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 2gw6 s THR 61 Cb 0.00 -3.58 0.17 0.00 1.34 0.00 0.00 72.50 70.44 2gw6 s THR 61 CO 0.00 -0.38 1.85 -0.08 -0.54 0.00 0.00 174.62 175.47 2gw6 h GLU 62 N 8.43 0.87 -3.96 3.99 4.22 -1.78 -1.10 114.58 125.24 2gw6 h GLU 62 Ca -0.24 -0.15 -0.43 0.00 0.08 0.00 0.00 59.36 58.62 2gw6 h GLU 62 Cb 1.09 -0.14 -0.35 0.00 0.50 0.00 0.00 28.75 29.85 2gw6 h GLU 62 CO 0.72 0.74 -0.77 0.42 -2.18 0.00 0.00 179.01 177.93 2gw6 s ILE 63 N -5.33 0.54 -0.26 2.32 -1.09 -1.26 -3.22 121.20 112.90 2gw6 s ILE 63 Ca -0.10 -0.08 -0.37 0.00 -2.23 0.00 0.00 60.65 57.87 2gw6 s ILE 63 Cb 0.16 -0.60 -0.13 0.00 -1.58 0.00 0.00 42.46 40.31 2gw6 s ILE 63 CO 0.80 0.25 1.95 1.21 -1.23 0.00 0.00 174.94 177.92 2gw6 n GLU 64 N 4.40 1.39 0.00 2.79 2.13 -1.26 -0.90 120.64 129.18 2gw6 n GLU 64 Ca -0.19 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2gw6 n GLU 64 Cb 0.51 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.84 2gw6 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gw6 n GLY 65 N 5.15 1.27 2.21 8.31 0.00 -1.26 -4.90 105.19 115.97 2gw6 n GLY 65 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.07 2.59 -2.14 1.61 1.02 -0.08 -4.87 120.64 118.69 2gw6 n GLU 66 Ca 0.00 -3.27 -0.30 0.00 -0.02 0.00 0.00 57.16 53.57 2gw6 n GLU 66 Cb 0.00 -2.23 -0.05 0.00 -0.02 0.00 0.00 31.44 29.14 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2gw6 s GLY 67 N -1.86 0.36 0.00 0.62 0.00 -1.25 -3.86 107.32 101.32 2gw6 s GLY 67 Ca 0.60 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 43.22 2gw6 s GLY 67 CO 0.03 3.42 0.51 -0.10 0.00 0.00 0.00 173.10 176.97 2gw6 n LEU 68 N 13.48 0.00 -4.71 0.66 7.94 -1.25 -4.95 117.00 128.17 2gw6 n LEU 68 Ca 0.44 -0.98 -0.36 0.00 -1.11 0.00 0.00 56.01 54.00 2gw6 n LEU 68 Cb 0.47 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.34 2gw6 n LEU 68 CO 0.67 0.94 -0.14 -1.10 -1.11 0.00 0.00 177.39 176.65 2gw6 s GLN 69 N 0.00 4.17 -0.09 1.96 -1.52 -1.25 -4.80 119.66 118.13 2gw6 s GLN 69 Ca 0.00 -0.16 0.03 0.00 -1.95 0.00 0.00 55.36 53.28 2gw6 s GLN 69 Cb 0.00 -3.46 -0.01 0.00 -0.22 0.00 0.00 33.01 29.32 2gw6 s GLN 69 CO 0.00 0.21 -0.18 0.99 -0.25 0.00 0.00 175.29 176.06 2gw6 s THR 70 N 0.60 2.65 -0.04 -0.19 2.01 -1.25 -3.37 115.64 116.04 2gw6 s THR 70 Ca 0.10 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2gw6 s THR 70 Cb -0.12 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.37 2gw6 s THR 70 CO 0.01 0.56 -0.03 0.68 -0.69 0.00 0.00 174.62 175.15 2gw6 s VAL 71 N -0.04 0.42 -0.11 3.82 -7.23 -0.51 0.03 120.40 116.78 2gw6 s VAL 71 Ca -0.05 -0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 2gw6 s VAL 71 Cb -0.14 -0.47 0.02 0.00 0.56 0.00 0.00 36.38 36.34 2gw6 s VAL 71 CO 0.04 0.20 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.20 2gw6 s VAL 72 N 0.91 1.47 0.09 1.32 1.01 -0.74 -1.97 120.40 122.50 2gw6 s VAL 72 Ca -0.11 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 2gw6 s VAL 72 Cb -0.14 -1.35 -0.10 0.00 0.00 0.00 0.00 36.38 34.79 2gw6 s VAL 72 CO -0.00 0.44 1.89 -2.16 0.00 0.00 0.00 175.10 175.26 2gw6 s PRO 73 N 1.06 4.14 -0.08 2.72 0.04 -1.26 -2.35 135.00 139.26 2gw6 s PRO 73 Ca -0.05 2.61 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 2gw6 s PRO 73 Cb -0.15 -3.80 0.04 0.00 0.04 0.00 0.00 34.50 30.63 2gw6 s PRO 73 CO -0.03 -0.89 0.05 0.99 0.04 0.00 0.00 177.00 177.16 2gw6 s THR 74 N 3.37 0.09 0.67 1.26 2.01 0.64 -4.93 115.64 118.75 2gw6 s THR 74 Ca 0.84 0.16 -0.13 0.00 0.31 0.00 0.00 61.69 62.87 2gw6 s THR 74 Cb -0.45 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 71.66 2gw6 s THR 74 CO 0.38 0.09 1.07 -2.16 -0.69 0.00 0.00 174.62 173.31 2gw6 s PRO 75 N 2.08 2.92 0.63 4.92 0.04 -1.26 -1.96 135.00 142.36 2gw6 s PRO 75 Ca 0.04 1.11 0.29 0.00 0.04 0.00 0.00 61.00 62.48 2gw6 s PRO 75 Cb -0.13 -1.98 1.56 0.00 0.04 0.00 0.00 34.50 33.98 2gw6 s PRO 75 CO -0.05 -1.13 1.92 0.82 0.04 0.00 0.00 177.00 178.60 2gw6 h ILE 76 N -0.37 0.20 -0.07 0.56 1.08 -1.90 -1.07 117.51 115.93 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 1.22 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2gw6 h ILE 76 CO 0.56 0.00 0.00 1.07 -0.69 0.00 0.00 178.15 179.09 2gw6 n THR 77 N -3.31 0.07 -2.60 -0.27 5.66 -1.26 -4.94 114.28 107.63 2gw6 n THR 77 Ca 0.03 -0.54 -0.24 0.00 -3.05 0.00 0.00 64.05 60.25 2gw6 n THR 77 Cb 0.50 1.37 0.03 0.00 -1.55 0.00 0.00 70.33 70.68 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 -1.69 3.59 -0.06 1.79 0.00 -0.41 -5.07 121.76 119.90 2gw6 s ALA 78 Ca 0.26 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2gw6 s ALA 78 Cb 0.18 -2.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 2gw6 s ALA 78 CO 0.26 -0.76 -0.24 -1.54 0.00 0.00 0.00 175.76 173.49 2gw6 s SER 79 N -4.36 2.94 0.21 0.00 1.04 -1.26 -4.90 113.70 107.37 2gw6 s SER 79 Ca 0.55 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.42 2gw6 s SER 79 Cb -0.10 -0.93 -0.06 0.00 0.10 0.00 0.00 66.02 65.03 2gw6 s SER 79 CO 0.41 0.21 0.46 -0.22 0.98 0.00 0.00 173.24 175.08 2gw6 s LEU 80 N -0.02 4.18 -0.18 2.42 2.96 -1.26 -4.89 118.68 121.89 2gw6 s LEU 80 Ca -0.07 0.67 -0.31 0.00 -0.22 0.00 0.00 54.13 54.20 2gw6 s LEU 80 Cb -0.14 -3.43 0.14 0.00 0.50 0.00 0.00 46.19 43.26 2gw6 s LEU 80 CO 0.05 -0.05 1.13 -0.55 -1.32 0.00 0.00 176.35 175.60 2gw6 s SER 81 N -2.72 -0.23 0.63 3.68 0.15 -1.26 -4.90 113.70 109.05 2gw6 s SER 81 Ca 0.43 0.17 0.40 0.00 0.70 0.00 0.00 55.95 57.65 2gw6 s SER 81 Cb -0.11 0.20 2.07 0.00 -1.71 0.00 0.00 66.02 66.47 2gw6 s SER 81 CO 0.26 -0.26 2.25 -0.74 1.20 0.00 0.00 173.24 175.94 2gw6 h HIS 82 N 2.24 0.00 -0.02 3.44 2.76 -1.98 0.59 115.15 122.18 2gw6 h HIS 82 Ca -0.14 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.87 2gw6 h HIS 82 Cb 1.18 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.15 2gw6 h HIS 82 CO 0.26 0.01 -0.60 -0.97 -1.30 0.00 0.00 177.93 175.32 2gw6 h ASN 83 N 0.00 0.56 -0.12 3.26 -0.73 -1.98 0.76 115.58 117.33 2gw6 h ASN 83 Ca -0.00 -0.74 -0.12 0.00 1.87 0.00 0.00 56.30 57.32 2gw6 h ASN 83 Cb 0.17 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 2gw6 h ASN 83 CO 0.00 1.22 -0.31 -0.09 -0.37 0.00 0.00 177.43 177.89 2gw6 h ARG 84 N -0.04 0.61 -0.61 6.67 1.12 -1.53 -1.70 114.38 118.91 2gw6 h ARG 84 Ca -0.07 -0.27 -0.03 0.00 -1.11 0.00 0.00 59.98 58.51 2gw6 h ARG 84 Cb 1.30 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.22 2gw6 h ARG 84 CO 0.12 0.84 0.27 0.82 -3.11 0.00 0.00 179.97 178.91 2gw6 h ILE 85 N 0.52 1.22 -0.85 1.20 2.04 0.14 -2.16 117.51 119.61 2gw6 h ILE 85 Ca 0.06 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.37 2gw6 h ILE 85 Cb 0.79 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2gw6 h ILE 85 CO 0.06 0.26 0.55 -0.09 0.00 0.00 0.00 178.15 178.94 2gw6 h ARG 86 N 0.83 0.78 -0.09 2.37 1.12 0.02 0.55 114.38 119.96 2gw6 h ARG 86 Ca 0.21 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 59.01 2gw6 h ARG 86 Cb 0.16 -0.18 -0.00 0.00 -0.01 0.00 0.00 29.97 29.94 2gw6 h ARG 86 CO -0.02 0.52 -0.03 0.93 -3.11 0.00 0.00 179.97 178.26 2gw6 h GLU 87 N 0.80 0.18 -0.01 0.20 4.39 -0.98 -2.58 114.58 116.59 2gw6 h GLU 87 Ca 0.40 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 2gw6 h GLU 87 Cb 0.45 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2gw6 h GLU 87 CO -0.16 0.51 -0.00 0.82 -1.16 0.00 0.00 179.01 179.01 2gw6 h ILE 88 N -0.16 1.31 -0.27 3.13 2.04 -0.61 -1.25 117.51 121.69 2gw6 h ILE 88 Ca 0.02 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.02 2gw6 h ILE 88 Cb 0.45 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 2gw6 h ILE 88 CO 0.01 0.24 -0.24 -0.07 0.00 0.00 0.00 178.15 178.09 2gw6 h LEU 89 N -0.37 -0.78 -0.93 1.44 3.38 -0.02 0.33 115.31 118.37 2gw6 h LEU 89 Ca 0.00 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2gw6 h LEU 89 Cb 0.40 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2gw6 h LEU 89 CO 0.00 -0.27 0.28 0.50 0.09 0.00 0.00 178.44 179.04 2gw6 h LYS 90 N -0.23 1.06 0.64 1.13 3.64 -1.44 0.17 116.57 121.54 2gw6 h LYS 90 Ca 0.15 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2gw6 h LYS 90 Cb 0.46 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2gw6 h LYS 90 CO -0.41 0.87 -0.31 0.00 -2.27 0.00 0.00 179.45 177.33 2gw6 h ALA 91 N 1.27 -0.87 -0.12 5.00 0.00 -0.53 -2.02 119.26 121.99 2gw6 h ALA 91 Ca 0.24 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2gw6 h ALA 91 Cb 0.20 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2gw6 h ALA 91 CO -0.02 -0.97 -0.45 1.03 0.00 0.00 0.00 179.25 178.85 2gw6 h SER 92 N -0.90 0.30 0.45 0.00 0.87 -0.17 -1.77 113.55 112.33 2gw6 h SER 92 Ca -0.09 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.27 2gw6 h SER 92 Cb 0.68 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2gw6 h SER 92 CO 0.15 0.71 -0.32 0.03 -0.53 0.00 0.00 176.83 176.87 2gw6 h ARG 93 N 0.24 0.00 -0.08 2.24 3.08 -0.65 0.40 114.38 119.60 2gw6 h ARG 93 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 2gw6 h ARG 93 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2gw6 h ARG 93 CO 0.07 0.32 -0.64 -0.22 -1.07 0.00 0.00 179.97 178.44 2gw6 h LYS 94 N 0.00 0.30 0.12 0.04 3.64 -0.95 -2.63 116.57 117.09 2gw6 h LYS 94 Ca -0.00 -0.22 -0.28 0.00 -1.27 0.00 0.00 60.65 58.88 2gw6 h LYS 94 Cb 0.64 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2gw6 h LYS 94 CO 0.04 0.84 -1.30 1.25 -2.27 0.00 0.00 179.45 178.01 2gw6 h LEU 95 N 0.22 0.38 -1.24 5.20 5.85 -0.42 -3.21 115.31 122.10 2gw6 h LEU 95 Ca -0.01 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.23 2gw6 h LEU 95 Cb 1.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2gw6 h LEU 95 CO 0.10 1.35 0.05 1.56 -0.34 0.00 0.00 178.44 181.16 2gw6 h GLN 96 N 0.07 0.57 0.00 1.25 1.08 -0.21 -3.46 115.11 114.40 2gw6 h GLN 96 Ca -0.15 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2gw6 h GLN 96 Cb 1.97 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.31 2gw6 h GLN 96 CO 0.19 0.56 0.00 0.41 -0.95 0.00 0.00 178.83 179.03 2gw6 n GLY 97 N -0.94 1.26 3.36 3.46 0.00 -1.00 -5.05 105.19 106.28 2gw6 n GLY 97 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.82 5.17 0.08 1.61 1.01 -1.21 -5.02 116.67 116.50 2gw6 s ASP 98 Ca 0.00 -0.65 -0.13 0.00 0.71 0.00 0.00 52.55 52.47 2gw6 s ASP 98 Cb 0.00 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 2gw6 s ASP 98 CO 0.00 -0.18 0.70 -2.65 0.21 0.00 0.00 175.17 173.25 2gw6 n PRO 99 N 4.88 -0.19 -1.40 8.23 -0.02 -1.26 -2.48 135.00 142.77 2gw6 n PRO 99 Ca -0.15 0.69 0.04 0.00 -2.02 0.00 0.00 63.50 62.07 2gw6 n PRO 99 Cb 0.48 -1.02 0.06 0.00 -0.02 0.00 0.00 33.50 33.00 2gw6 n PRO 99 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gw6 n ASP 100 N -4.59 1.19 -4.68 2.55 2.03 -1.26 -4.77 116.55 107.03 2gw6 n ASP 100 Ca 0.01 -2.36 -0.45 0.00 0.52 0.00 0.00 54.79 52.51 2gw6 n ASP 100 Cb 0.13 -0.35 -0.04 0.00 -0.72 0.00 0.00 41.12 40.14 2gw6 n ASP 100 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2gw6 n LEU 101 N 0.15 3.65 -4.70 -2.67 7.94 -1.03 -4.92 117.00 115.42 2gw6 n LEU 101 Ca 0.09 0.99 -0.42 0.00 -1.11 0.00 0.00 56.01 55.55 2gw6 n LEU 101 Cb 1.05 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.52 2gw6 n LEU 101 CO -0.03 -0.00 1.20 -2.84 -1.11 0.00 0.00 177.39 174.61 2gw6 s PRO 102 N 3.13 4.25 0.00 1.96 0.02 -1.26 -4.92 135.00 138.18 2gw6 s PRO 102 Ca 0.86 2.19 0.00 0.00 0.02 0.00 0.00 61.00 64.08 2gw6 s PRO 102 Cb -0.59 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.49 2gw6 s PRO 102 CO 0.44 -0.61 0.00 -0.12 -0.33 0.00 0.00 177.00 176.38 2gw6 n MET 103 N 4.90 0.00 -3.90 5.54 1.56 -1.26 -5.19 117.12 118.77 2gw6 n MET 103 Ca 0.14 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.47 2gw6 n MET 103 Cb 0.41 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 35.78 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 -0.40 0.24 -0.04 6.12 1.04 -1.26 -4.42 113.70 114.97 2gw6 s SER 104 Ca 0.00 -1.19 -0.14 0.00 0.48 0.00 0.00 55.95 55.10 2gw6 s SER 104 Cb 0.00 0.77 0.03 0.00 0.10 0.00 0.00 66.02 66.92 2gw6 s SER 104 CO 0.00 -1.52 0.32 0.72 0.98 0.00 0.00 173.24 173.74 2gw6 s PHE 105 N -2.75 -0.23 -0.16 5.02 -0.12 -1.22 -3.93 117.98 114.59 2gw6 s PHE 105 Ca 0.20 0.44 -0.14 0.00 -0.05 0.00 0.00 56.93 57.38 2gw6 s PHE 105 Cb -0.04 0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 2gw6 s PHE 105 CO 0.13 -0.34 0.29 0.99 -0.05 0.00 0.00 175.22 176.24 2gw6 s THR 106 N -0.93 5.31 -0.33 -4.49 2.01 0.10 -2.38 115.64 114.94 2gw6 s THR 106 Ca -0.10 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 62.16 2gw6 s THR 106 Cb -0.04 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2gw6 s THR 106 CO 0.03 0.39 0.96 -0.76 -0.69 0.00 0.00 174.62 174.56 2gw6 s LEU 107 N 0.48 3.99 -0.62 4.42 1.43 0.12 -1.78 118.68 126.72 2gw6 s LEU 107 Ca 0.16 0.84 -0.20 0.00 -1.03 0.00 0.00 54.13 53.90 2gw6 s LEU 107 Cb -0.13 -3.35 0.09 0.00 0.03 0.00 0.00 46.19 42.83 2gw6 s LEU 107 CO 0.04 -0.80 0.79 0.00 0.23 0.00 0.00 176.35 176.60 2gw6 s ALA 108 N 3.42 3.32 -0.19 4.21 0.00 -0.99 -1.30 121.76 130.24 2gw6 s ALA 108 Ca 0.40 -2.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.07 2gw6 s ALA 108 Cb -0.13 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2gw6 s ALA 108 CO 0.15 -2.49 0.43 0.42 0.00 0.00 0.00 175.76 174.27 2gw6 s ILE 109 N 3.10 5.18 -0.08 0.00 1.01 -0.37 -0.26 121.20 129.78 2gw6 s ILE 109 Ca 0.15 0.79 0.04 0.00 0.00 0.00 0.00 60.65 61.63 2gw6 s ILE 109 Cb -0.22 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 2gw6 s ILE 109 CO 0.07 0.25 -0.21 0.54 0.00 0.00 0.00 174.94 175.59 2gw6 s VAL 110 N 1.25 1.83 0.36 2.92 0.11 -0.83 0.17 120.40 126.20 2gw6 s VAL 110 Ca 0.21 -0.90 0.07 0.00 -2.93 0.00 0.00 61.98 58.43 2gw6 s VAL 110 Cb -0.15 -1.58 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 2gw6 s VAL 110 CO 0.08 0.51 0.38 -0.70 -3.33 0.00 0.00 175.10 172.05 2gw6 s GLU 111 N 0.27 2.81 0.05 1.54 2.12 -0.61 -2.77 118.70 122.11 2gw6 s GLU 111 Ca -0.14 -1.25 0.09 0.00 0.36 0.00 0.00 54.97 54.03 2gw6 s GLU 111 Cb -0.16 -2.58 0.40 0.00 0.26 0.00 0.00 34.13 32.05 2gw6 s GLU 111 CO 0.06 0.00 1.28 -1.13 -0.54 0.00 0.00 175.26 174.94 2gw6 n SER 112 N -1.52 0.10 -1.46 -1.70 3.41 -1.26 -1.99 113.62 109.20 2gw6 n SER 112 Ca 0.00 0.54 0.03 0.00 -0.26 0.00 0.00 58.87 59.18 2gw6 n SER 112 Cb 0.60 -0.55 0.26 0.00 -0.26 0.00 0.00 64.21 64.25 2gw6 n SER 112 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gw6 n ASP 113 N -1.62 4.09 -1.77 4.04 9.92 -1.26 -4.86 116.55 125.09 2gw6 n ASP 113 Ca 0.01 -2.65 -0.16 0.00 -0.53 0.00 0.00 54.79 51.45 2gw6 n ASP 113 Cb 0.08 -0.63 -0.02 0.00 -0.64 0.00 0.00 41.12 39.91 2gw6 n ASP 113 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2gw6 n SER 114 N 0.33 -4.89 -4.69 -2.24 7.64 -0.84 -4.98 113.62 103.94 2gw6 n SER 114 Ca 0.20 0.05 -0.37 0.00 1.01 0.00 0.00 58.87 59.76 2gw6 n SER 114 Cb 0.91 -3.97 -0.08 0.00 -1.01 0.00 0.00 64.21 60.07 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 -2.79 5.27 -0.19 0.44 -4.23 -1.21 -4.96 115.64 107.97 2gw6 s THR 115 Ca 0.00 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.05 2gw6 s THR 115 Cb 0.00 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 2gw6 s THR 115 CO 0.00 0.32 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.72 2gw6 s ILE 116 N 0.91 3.43 -0.28 2.99 1.09 -1.26 -1.58 121.20 126.51 2gw6 s ILE 116 Ca 0.16 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.21 2gw6 s ILE 116 Cb -0.14 -2.53 0.04 0.00 -1.06 0.00 0.00 42.46 38.77 2gw6 s ILE 116 CO 0.06 0.45 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.63 2gw6 s VAL 117 N 1.06 2.91 -0.12 2.92 1.01 0.13 -4.92 120.40 123.38 2gw6 s VAL 117 Ca 0.01 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 2gw6 s VAL 117 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 2gw6 s VAL 117 CO -0.00 0.01 1.04 -0.31 0.00 0.00 0.00 175.10 175.84 2gw6 s TYR 118 N 1.27 3.44 -0.11 5.22 1.51 -1.26 -1.23 117.35 126.19 2gw6 s TYR 118 Ca -0.03 1.52 -0.01 0.00 -1.01 0.00 0.00 57.07 57.54 2gw6 s TYR 118 Cb -0.19 -3.23 0.03 0.00 -0.11 0.00 0.00 41.96 38.46 2gw6 s TYR 118 CO -0.02 -0.41 -0.07 -0.47 -1.11 0.00 0.00 175.55 173.47 2gw6 s TYR 119 N 2.28 1.38 -0.00 2.71 5.04 -0.42 -4.97 117.35 123.37 2gw6 s TYR 119 Ca 0.48 -0.67 -0.19 0.00 -2.44 0.00 0.00 57.07 54.26 2gw6 s TYR 119 Cb -0.18 -1.18 -0.06 0.00 0.35 0.00 0.00 41.96 40.89 2gw6 s TYR 119 CO 0.16 -0.49 0.54 0.21 -1.34 0.00 0.00 175.55 174.62 2gw6 s LYS 120 N 1.74 4.22 0.01 4.97 2.36 -1.26 0.12 119.74 131.90 2gw6 s LYS 120 Ca 0.05 0.63 0.07 0.00 -2.55 0.00 0.00 55.97 54.17 2gw6 s LYS 120 Cb -0.13 -3.31 -0.02 0.00 -1.05 0.00 0.00 37.83 33.33 2gw6 s LYS 120 CO -0.08 0.46 -0.21 -1.17 1.55 0.00 0.00 175.35 175.90 2gw6 s LEU 121 N -0.45 2.09 0.18 5.43 0.20 -1.00 -4.94 118.68 120.19 2gw6 s LEU 121 Ca 0.28 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.71 2gw6 s LEU 121 Cb -0.18 -1.04 -0.05 0.00 -0.43 0.00 0.00 46.19 44.50 2gw6 s LEU 121 CO 0.16 0.22 -0.07 0.28 -0.29 0.00 0.00 176.35 176.65 2gw6 s THR 122 N -0.61 1.13 -0.32 3.68 -1.32 -1.26 -3.41 115.64 113.53 2gw6 s THR 122 Ca 0.08 -2.05 0.03 0.00 -1.21 0.00 0.00 61.69 58.53 2gw6 s THR 122 Cb -0.08 -2.03 0.02 0.00 -1.51 0.00 0.00 72.50 68.90 2gw6 s THR 122 CO 0.00 -0.59 0.58 -0.67 -2.21 0.00 0.00 174.62 171.73