#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gw6 n GLU 2 N 0.00 0.00 0.00 -1.46 1.02 -1.26 -4.88 120.64 114.06 2gw6 n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2gw6 n GLU 2 Cb 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 2gw6 n GLU 2 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2gw6 n ASP 3 N -2.75 0.00 -0.10 1.62 5.75 -1.26 -3.51 116.55 116.30 2gw6 n ASP 3 Ca 0.00 -0.14 0.04 0.00 -0.01 0.00 0.00 54.79 54.68 2gw6 n ASP 3 Cb 0.30 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.46 2gw6 n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2gw6 n ALA 4 N 1.01 2.15 -0.02 2.12 0.00 -1.26 -1.43 120.51 123.08 2gw6 n ALA 4 Ca 0.00 -1.67 -0.13 0.00 0.00 0.00 0.00 53.44 51.64 2gw6 n ALA 4 Cb 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.16 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 0.19 0.06 0.00 0.00 4.06 -1.99 -3.39 115.95 114.87 2gw6 h TRP 5 Ca 0.00 -0.02 -0.31 0.00 2.06 0.00 0.00 58.89 60.62 2gw6 h TRP 5 Cb 0.74 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.84 2gw6 h TRP 5 CO 0.03 0.47 -2.02 -1.33 -3.56 0.00 0.00 178.44 172.03 2gw6 n MET 6 N -4.84 0.42 0.00 0.49 2.81 -1.26 -5.04 117.12 109.70 2gw6 n MET 6 Ca -0.08 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2gw6 n MET 6 Cb 0.24 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 1.77 1.10 0.00 3.03 0.00 -1.26 -5.09 105.19 104.74 2gw6 n GLY 7 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.00 -4.03 2.61 5.66 -0.51 -4.20 114.28 113.81 2gw6 n THR 8 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2gw6 n THR 8 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 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 0.00 3.02 0.29 1.09 3.76 -1.25 -4.64 115.29 117.55 2gw6 s HIS 9 Ca 0.00 -0.57 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2gw6 s HIS 9 Cb 0.00 -2.10 0.52 0.00 1.11 0.00 0.00 32.58 32.12 2gw6 s HIS 9 CO 0.00 -0.32 1.89 -1.35 -0.85 0.00 0.00 174.74 174.11 2gw6 h PRO 10 N 7.69 1.01 -0.08 8.40 0.11 -1.99 0.30 132.00 147.44 2gw6 h PRO 10 Ca -0.37 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.49 2gw6 h PRO 10 Cb 1.17 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 2gw6 h PRO 10 CO 0.60 0.67 -0.74 0.87 -0.21 0.00 0.00 178.00 179.19 2gw6 h LYS 11 N 1.04 0.42 -0.04 1.05 6.56 -1.97 0.15 116.57 123.78 2gw6 h LYS 11 Ca 0.41 -0.35 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 2gw6 h LYS 11 Cb 0.26 0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.99 2gw6 h LYS 11 CO -0.17 0.98 -0.00 -0.92 -2.06 0.00 0.00 179.45 177.28 2gw6 h TYR 12 N 0.28 0.08 -0.67 -1.35 3.20 -1.71 -1.77 116.97 115.03 2gw6 h TYR 12 Ca -0.03 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2gw6 h TYR 12 Cb 1.32 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 2gw6 h TYR 12 CO 0.05 0.37 0.40 1.25 -1.64 0.00 0.00 178.16 178.59 2gw6 h LEU 13 N -0.24 0.63 -1.13 2.82 5.85 -0.39 0.80 115.31 123.65 2gw6 h LEU 13 Ca 0.01 0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.91 2gw6 h LEU 13 Cb 0.34 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.16 2gw6 h LEU 13 CO 0.00 0.43 0.61 -0.08 -0.34 0.00 0.00 178.44 179.06 2gw6 h GLU 14 N 0.77 0.74 -0.07 1.25 4.22 -0.60 -0.32 114.58 120.57 2gw6 h GLU 14 Ca 0.28 -0.04 -0.21 0.00 0.08 0.00 0.00 59.36 59.46 2gw6 h GLU 14 Cb 0.08 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2gw6 h GLU 14 CO -0.13 0.49 -0.83 1.98 -2.18 0.00 0.00 179.01 178.34 2gw6 h MET 15 N 0.76 0.51 0.00 1.92 4.05 -0.36 -3.14 114.93 118.67 2gw6 h MET 15 Ca 0.52 -0.46 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 2gw6 h MET 15 Cb 0.81 0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 2gw6 h MET 15 CO -0.29 1.10 -0.11 1.98 0.23 0.00 0.00 176.91 179.82 2gw6 h MET 16 N 0.33 0.00 0.00 0.39 1.85 0.75 -1.06 114.93 117.20 2gw6 h MET 16 Ca -0.06 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.03 2gw6 h MET 16 Cb 1.44 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.47 2gw6 h MET 16 CO 0.15 0.11 0.00 0.39 -0.40 0.00 0.00 176.91 177.16 2gw6 n GLU 17 N -4.39 0.14 -1.68 0.39 1.02 -0.49 -4.59 120.64 111.04 2gw6 n GLU 17 Ca -0.03 0.56 -0.38 0.00 -0.02 0.00 0.00 57.16 57.30 2gw6 n GLU 17 Cb 0.18 -1.90 0.05 0.00 -0.02 0.00 0.00 31.44 29.75 2gw6 n GLU 17 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2gw6 n LEU 18 N -2.19 4.71 -1.40 -4.62 4.77 -0.40 -4.81 117.00 113.05 2gw6 n LEU 18 Ca -0.00 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 2gw6 n LEU 18 Cb 0.09 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 2gw6 n LEU 18 CO 0.12 -1.27 0.35 0.47 -1.33 0.00 0.00 177.39 175.73 2gw6 n ASP 19 N -1.02 1.95 0.22 -1.43 8.00 -1.26 -3.10 116.55 119.91 2gw6 n ASP 19 Ca 0.13 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2gw6 n ASP 19 Cb 0.46 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2gw6 n ASP 19 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2gw6 n ILE 20 N 1.29 0.00 -2.36 0.53 -5.35 -1.26 -4.70 119.36 107.50 2gw6 n ILE 20 Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 2gw6 n ILE 20 Cb 0.23 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.14 2gw6 n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gw6 n GLY 21 N -1.44 -1.34 3.48 3.28 0.00 -1.18 -4.97 105.19 103.02 2gw6 n GLY 21 Ca 0.00 0.73 -0.43 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.95 6.14 0.42 1.61 2.15 -1.26 -4.94 116.67 118.83 2gw6 s ASP 22 Ca 0.15 -0.71 0.21 0.00 0.43 0.00 0.00 52.55 52.62 2gw6 s ASP 22 Cb -0.04 -2.18 1.17 0.00 -0.30 0.00 0.00 42.92 41.56 2gw6 s ASP 22 CO 0.50 -0.46 1.78 0.00 -0.17 0.00 0.00 175.17 176.82 2gw6 h ALA 23 N 8.63 2.35 -0.06 3.66 0.00 -1.97 0.70 119.26 132.57 2gw6 h ALA 23 Ca -0.27 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 2gw6 h ALA 23 Cb 1.12 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2gw6 h ALA 23 CO 0.74 -0.74 -0.44 1.15 0.00 0.00 0.00 179.25 179.96 2gw6 h THR 24 N 0.34 1.41 -0.03 0.00 2.02 -1.99 -1.23 112.91 113.43 2gw6 h THR 24 Ca 0.58 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 2gw6 h THR 24 Cb 1.57 2.37 -0.00 0.00 -1.74 0.00 0.00 68.15 70.36 2gw6 h THR 24 CO -0.25 0.54 0.01 1.56 0.37 0.00 0.00 175.52 177.76 2gw6 h GLN 25 N -0.07 0.05 -0.97 6.66 1.08 -1.43 -2.00 115.11 118.42 2gw6 h GLN 25 Ca -0.04 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 2gw6 h GLN 25 Cb 1.11 -0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.47 2gw6 h GLN 25 CO 0.09 0.20 0.62 0.28 -0.95 0.00 0.00 178.83 179.07 2gw6 h VAL 26 N -0.10 1.06 -0.13 -0.54 2.07 0.27 0.64 116.25 119.51 2gw6 h VAL 26 Ca 0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2gw6 h VAL 26 Cb 0.16 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 2gw6 h VAL 26 CO -0.00 0.20 0.06 0.22 0.02 0.00 0.00 177.57 178.07 2gw6 h TYR 27 N 1.12 0.19 -0.26 1.57 3.20 -1.10 0.23 116.97 121.92 2gw6 h TYR 27 Ca 0.43 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.14 2gw6 h TYR 27 Cb 0.20 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2gw6 h TYR 27 CO -0.01 0.25 -0.43 0.28 -1.64 0.00 0.00 178.16 176.61 2gw6 h VAL 28 N 0.08 1.30 -0.84 1.81 2.07 -0.66 -2.00 116.25 118.01 2gw6 h VAL 28 Ca 0.04 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 2gw6 h VAL 28 Cb 0.13 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2gw6 h VAL 28 CO -0.01 0.52 0.43 0.00 0.02 0.00 0.00 177.57 178.53 2gw6 h ALA 29 N 0.66 1.16 -0.68 1.67 0.00 0.27 -1.40 119.26 120.93 2gw6 h ALA 29 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2gw6 h ALA 29 Cb 1.03 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2gw6 h ALA 29 CO 0.10 0.65 0.35 0.35 0.00 0.00 0.00 179.25 180.70 2gw6 h PHE 30 N 1.20 0.96 0.12 0.00 3.57 -0.80 0.17 116.94 122.16 2gw6 h PHE 30 Ca 0.29 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2gw6 h PHE 30 Cb 0.09 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2gw6 h PHE 30 CO 0.01 0.70 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.61 2gw6 h LEU 31 N 0.94 -0.30 -0.37 0.59 3.38 -0.68 -0.88 115.31 118.00 2gw6 h LEU 31 Ca 0.24 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.06 2gw6 h LEU 31 Cb 0.08 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2gw6 h LEU 31 CO -0.03 -0.18 -0.49 -0.37 0.09 0.00 0.00 178.44 177.46 2gw6 h VAL 32 N -0.26 1.28 -0.45 1.22 -1.51 -1.12 -2.20 116.25 113.21 2gw6 h VAL 32 Ca 0.00 -1.67 0.08 0.00 -1.23 0.00 0.00 66.70 63.88 2gw6 h VAL 32 Cb 0.24 1.55 -0.07 0.00 -2.13 0.00 0.00 31.29 30.88 2gw6 h VAL 32 CO -0.03 0.55 0.01 0.22 -1.23 0.00 0.00 177.57 177.09 2gw6 h TYR 33 N 0.67 -0.01 0.00 5.19 3.20 -0.52 0.29 116.97 125.79 2gw6 h TYR 33 Ca 0.03 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 2gw6 h TYR 33 Cb 1.08 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2gw6 h TYR 33 CO 0.07 -0.09 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.18 2gw6 h LEU 34 N 0.12 0.00 -0.01 2.82 4.07 -1.05 -0.87 115.31 120.40 2gw6 h LEU 34 Ca 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 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 -0.36 0.25 -0.10 -0.78 -1.08 0.00 0.00 178.44 176.37 2gw6 h ASP 35 N 0.00 0.10 -1.00 -0.43 3.58 -0.52 -1.71 116.42 116.44 2gw6 h ASP 35 Ca -0.00 -0.74 0.12 0.00 0.42 0.00 0.00 57.03 56.83 2gw6 h ASP 35 Cb 0.52 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.45 2gw6 h ASP 35 CO 0.03 0.82 0.63 -0.07 -2.88 0.00 0.00 179.24 177.77 2gw6 h LEU 36 N -0.62 0.92 0.41 2.28 3.38 -0.35 0.56 115.31 121.90 2gw6 h LEU 36 Ca -0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2gw6 h LEU 36 Cb 0.83 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2gw6 h LEU 36 CO 0.02 0.48 -0.20 0.24 0.09 0.00 0.00 178.44 179.08 2gw6 h MET 37 N 0.98 -0.53 0.00 1.13 2.86 -1.17 0.45 114.93 118.64 2gw6 h MET 37 Ca 0.50 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 2gw6 h MET 37 Cb 0.50 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2gw6 h MET 37 CO -0.26 -0.23 -0.96 0.39 1.06 0.00 0.00 176.91 176.90 2gw6 n GLU 38 N -5.21 0.45 -0.02 1.72 -0.58 -0.64 -2.94 120.64 113.41 2gw6 n GLU 38 Ca -0.10 0.06 -0.06 0.00 -0.42 0.00 0.00 57.16 56.64 2gw6 n GLU 38 Cb 0.29 -1.72 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 2gw6 n GLU 38 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2gw6 n SER 39 N -2.33 1.24 0.16 1.62 7.64 0.19 -4.73 113.62 117.41 2gw6 n SER 39 Ca 0.01 0.19 0.03 0.00 1.01 0.00 0.00 58.87 60.11 2gw6 n SER 39 Cb 0.49 -0.45 0.20 0.00 -1.01 0.00 0.00 64.21 63.45 2gw6 n SER 39 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2gw6 h LYS 40 N -0.40 0.00 -6.63 1.43 1.63 -1.27 -3.49 116.57 107.84 2gw6 h LYS 40 Ca -0.09 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 59.26 2gw6 h LYS 40 Cb 0.65 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2gw6 h LYS 40 CO -0.05 0.49 -1.11 0.43 -3.45 0.00 0.00 179.45 175.76 2gw6 n SER 41 N -3.46 -4.79 -4.76 4.20 7.64 0.16 -4.98 113.62 107.63 2gw6 n SER 41 Ca 0.00 -0.74 -0.29 0.00 1.01 0.00 0.00 58.87 58.85 2gw6 n SER 41 Cb 0.62 -1.53 0.14 0.00 -1.01 0.00 0.00 64.21 62.42 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 -2.53 2.47 0.21 1.43 0.51 -1.22 -4.97 118.94 114.82 2gw6 s TRP 42 Ca 0.10 0.94 0.05 0.00 -2.12 0.00 0.00 56.10 55.08 2gw6 s TRP 42 Cb -0.01 -3.31 0.13 0.00 -0.81 0.00 0.00 33.47 29.47 2gw6 s TRP 42 CO 0.86 -2.39 1.48 1.25 -0.51 0.00 0.00 176.95 177.64 2gw6 h HIS 43 N -1.52 0.22 -2.09 -1.98 -0.00 -1.59 -3.46 115.15 104.72 2gw6 h HIS 43 Ca -0.51 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 59.73 2gw6 h HIS 43 Cb 1.32 -0.03 -0.22 0.00 -0.00 0.00 0.00 27.41 28.48 2gw6 h HIS 43 CO 0.32 0.84 0.05 -2.00 -0.00 0.00 0.00 177.93 177.14 2gw6 s GLU 44 N -3.43 0.75 -0.07 5.26 2.56 -0.01 -4.91 118.70 118.85 2gw6 s GLU 44 Ca -0.03 1.02 0.01 0.00 0.00 0.00 0.00 54.97 55.97 2gw6 s GLU 44 Cb 0.11 0.30 0.02 0.00 2.00 0.00 0.00 34.13 36.56 2gw6 s GLU 44 CO 0.80 -0.11 -0.07 0.08 -0.56 0.00 0.00 175.26 175.40 2gw6 s VAL 45 N 0.78 0.77 0.16 3.70 1.01 -1.26 -1.12 120.40 124.44 2gw6 s VAL 45 Ca -0.03 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2gw6 s VAL 45 Cb -0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2gw6 s VAL 45 CO -0.06 0.29 -0.14 0.20 0.00 0.00 0.00 175.10 175.39 2gw6 s ASN 46 N 1.11 2.30 -0.17 3.32 0.01 -0.76 -4.91 114.94 115.83 2gw6 s ASN 46 Ca -0.07 -0.93 -0.04 0.00 -0.71 0.00 0.00 52.86 51.10 2gw6 s ASN 46 Cb -0.14 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.39 2gw6 s ASN 46 CO -0.01 -0.16 -0.03 0.00 -1.51 0.00 0.00 177.10 175.39 2gw6 s VAL 48 N 0.63 1.06 -0.19 0.00 1.01 0.33 -4.96 120.40 118.27 2gw6 s VAL 48 Ca -0.02 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2gw6 s VAL 48 Cb -0.14 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2gw6 s VAL 48 CO 0.02 0.35 0.08 -0.83 0.00 0.00 0.00 175.10 174.73 2gw6 s GLY 49 N 1.01 1.93 -0.56 4.51 0.00 -1.26 -1.18 107.32 111.76 2gw6 s GLY 49 Ca -0.08 -0.77 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 2gw6 s GLY 49 CO -0.00 0.13 0.41 1.08 0.00 0.00 0.00 173.10 174.72 2gw6 s LEU 50 N 0.51 5.64 0.30 0.66 2.01 0.18 -4.78 118.68 123.20 2gw6 s LEU 50 Ca 0.04 -2.33 -0.01 0.00 0.01 0.00 0.00 54.13 51.85 2gw6 s LEU 50 Cb -0.12 -1.96 0.48 0.00 0.01 0.00 0.00 46.19 44.59 2gw6 s LEU 50 CO 0.00 -0.56 1.95 -0.65 1.01 0.00 0.00 176.35 178.11 2gw6 h PRO 51 N 7.87 1.05 -0.00 1.29 0.11 -1.84 0.39 132.00 140.87 2gw6 h PRO 51 Ca -0.10 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 65.78 2gw6 h PRO 51 Cb 1.03 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 2gw6 h PRO 51 CO 0.78 0.69 -0.81 0.93 -0.21 0.00 0.00 178.00 179.38 2gw6 h GLU 52 N 1.08 0.04 -0.00 1.05 3.07 -1.95 -2.51 114.58 115.35 2gw6 h GLU 52 Ca 0.33 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2gw6 h GLU 52 Cb -0.01 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2gw6 h GLU 52 CO -0.09 0.82 -0.37 -0.11 -1.40 0.00 0.00 179.01 177.85 2gw6 n LEU 53 N -3.61 0.69 -1.08 1.33 7.94 -1.05 -4.92 117.00 116.31 2gw6 n LEU 53 Ca -0.01 -0.09 -0.14 0.00 -1.11 0.00 0.00 56.01 54.66 2gw6 n LEU 53 Cb 0.77 -0.20 -0.06 0.00 0.53 0.00 0.00 43.42 44.46 2gw6 n LEU 53 CO 0.45 0.15 -0.13 1.67 -1.11 0.00 0.00 177.39 178.41 2gw6 n GLN 54 N -1.14 -1.41 -4.53 1.96 -0.06 0.06 -4.94 117.38 107.31 2gw6 n GLN 54 Ca 0.09 0.98 -0.32 0.00 -2.00 0.00 0.00 57.00 55.74 2gw6 n GLN 54 Cb 0.34 -5.28 -0.11 0.00 -4.06 0.00 0.00 30.24 21.13 2gw6 n GLN 54 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2gw6 s LEU 55 N -3.20 3.10 -0.09 1.69 2.96 -0.77 -4.96 118.68 117.41 2gw6 s LEU 55 Ca 0.00 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2gw6 s LEU 55 Cb 0.00 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2gw6 s LEU 55 CO 0.00 0.30 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.65 2gw6 s ILE 56 N -0.94 3.82 -0.07 6.68 -1.09 -1.26 -0.64 121.20 127.69 2gw6 s ILE 56 Ca 0.16 -0.42 -0.12 0.00 -2.23 0.00 0.00 60.65 58.04 2gw6 s ILE 56 Cb -0.11 -2.59 0.02 0.00 -1.58 0.00 0.00 42.46 38.20 2gw6 s ILE 56 CO 0.06 0.58 0.29 0.00 -1.23 0.00 0.00 174.94 174.63 2gw6 s LEU 58 N -0.45 3.48 -0.07 0.00 2.01 0.48 -0.51 118.68 123.62 2gw6 s LEU 58 Ca -0.06 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.05 2gw6 s LEU 58 Cb -0.04 -1.86 0.02 0.00 0.01 0.00 0.00 46.19 44.33 2gw6 s LEU 58 CO 0.02 0.17 -0.05 -0.69 1.01 0.00 0.00 176.35 176.81 2gw6 s VAL 59 N 0.36 0.65 0.00 -1.59 1.01 -0.70 -1.09 120.40 119.04 2gw6 s VAL 59 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2gw6 s VAL 59 Cb -0.13 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 2gw6 s VAL 59 CO 0.02 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2gw6 n GLY 60 N 4.46 3.67 3.31 4.51 0.00 -1.25 -1.84 105.19 118.06 2gw6 n GLY 60 Ca -0.18 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.18 4.09 0.22 2.61 -4.23 -0.28 -4.34 115.64 111.52 2gw6 s THR 61 Ca 0.00 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 2gw6 s THR 61 Cb 0.00 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 2gw6 s THR 61 CO 0.00 -0.19 1.53 -0.08 -0.54 0.00 0.00 174.62 175.34 2gw6 h GLU 62 N 8.30 0.36 -2.63 3.99 4.81 -1.89 0.06 114.58 127.57 2gw6 h GLU 62 Ca -0.24 -0.24 -0.45 0.00 -0.13 0.00 0.00 59.36 58.30 2gw6 h GLU 62 Cb 1.09 0.04 -0.38 0.00 0.63 0.00 0.00 28.75 30.13 2gw6 h GLU 62 CO 0.63 0.85 -0.73 0.42 -0.73 0.00 0.00 179.01 179.45 2gw6 s ILE 63 N -3.82 -0.18 0.64 2.32 -1.09 -1.26 -3.73 121.20 114.08 2gw6 s ILE 63 Ca -0.05 -0.55 -0.18 0.00 -2.23 0.00 0.00 60.65 57.64 2gw6 s ILE 63 Cb 0.12 -0.90 -0.02 0.00 -1.58 0.00 0.00 42.46 40.07 2gw6 s ILE 63 CO 0.82 -0.56 1.08 1.21 -1.23 0.00 0.00 174.94 176.26 2gw6 n GLU 64 N 5.28 0.89 0.00 2.79 2.13 -1.26 -2.64 120.64 127.83 2gw6 n GLU 64 Ca -0.05 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.12 2gw6 n GLU 64 Cb 0.45 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.85 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 1.13 2.42 2.19 8.31 0.00 -1.26 -4.64 105.19 113.34 2gw6 n GLY 65 Ca 0.15 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 2.37 -1.48 1.61 1.02 -1.08 -4.98 120.64 118.09 2gw6 n GLU 66 Ca 0.00 -3.12 -0.43 0.00 -0.02 0.00 0.00 57.16 53.59 2gw6 n GLU 66 Cb 0.00 -2.19 -0.10 0.00 -0.02 0.00 0.00 31.44 29.13 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 -1.08 -0.11 3.01 0.62 0.00 -1.14 -4.83 105.19 101.67 2gw6 n GLY 67 Ca 0.59 0.98 -0.06 0.00 0.00 0.00 0.00 46.02 47.53 2gw6 n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gw6 s LEU 68 N 9.37 -0.95 -0.30 0.99 1.98 -1.26 -5.09 118.68 123.41 2gw6 s LEU 68 Ca 1.20 -0.88 -0.11 0.00 -2.89 0.00 0.00 54.13 51.44 2gw6 s LEU 68 Cb -0.91 1.39 0.16 0.00 0.66 0.00 0.00 46.19 47.48 2gw6 s LEU 68 CO 0.44 -0.24 0.82 -1.58 -1.89 0.00 0.00 176.35 173.90 2gw6 s GLN 69 N 1.92 0.42 -0.07 1.98 2.00 -1.26 -4.86 119.66 119.79 2gw6 s GLN 69 Ca 0.15 0.99 -0.01 0.00 -2.00 0.00 0.00 55.36 54.49 2gw6 s GLN 69 Cb -0.10 0.59 0.03 0.00 0.80 0.00 0.00 33.01 34.33 2gw6 s GLN 69 CO -0.11 -0.21 -0.02 0.99 -0.50 0.00 0.00 175.29 175.44 2gw6 s THR 70 N 2.71 0.46 -0.06 -0.34 2.01 -1.26 -3.79 115.64 115.36 2gw6 s THR 70 Ca -0.01 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2gw6 s THR 70 Cb -0.10 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 2gw6 s THR 70 CO -0.18 0.26 -0.21 0.68 -0.69 0.00 0.00 174.62 174.48 2gw6 s VAL 71 N 1.68 1.76 -0.08 3.82 -7.23 -0.25 0.05 120.40 120.15 2gw6 s VAL 71 Ca 0.01 -0.89 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 2gw6 s VAL 71 Cb -0.13 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.34 2gw6 s VAL 71 CO -0.04 0.49 -0.04 0.54 -0.31 0.00 0.00 175.10 175.74 2gw6 s VAL 72 N 0.01 0.69 0.28 1.32 0.11 -0.80 -0.39 120.40 121.62 2gw6 s VAL 72 Ca -0.06 -0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 2gw6 s VAL 72 Cb -0.13 -0.75 -0.11 0.00 -1.53 0.00 0.00 36.38 33.86 2gw6 s VAL 72 CO 0.04 0.29 1.61 -2.16 -3.33 0.00 0.00 175.10 171.55 2gw6 s PRO 73 N 1.52 4.13 -0.13 1.54 0.04 -1.26 -2.11 135.00 138.74 2gw6 s PRO 73 Ca -0.01 2.58 -0.05 0.00 0.04 0.00 0.00 61.00 63.56 2gw6 s PRO 73 Cb -0.13 -3.04 0.06 0.00 0.04 0.00 0.00 34.50 31.43 2gw6 s PRO 73 CO -0.04 -0.65 0.26 0.99 0.04 0.00 0.00 177.00 177.60 2gw6 s THR 74 N 0.22 -0.33 0.64 1.26 2.01 0.69 -4.89 115.64 115.23 2gw6 s THR 74 Ca 0.65 0.25 -0.15 0.00 0.31 0.00 0.00 61.69 62.76 2gw6 s THR 74 Cb -0.48 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 2gw6 s THR 74 CO 0.45 0.10 1.09 -2.16 -0.69 0.00 0.00 174.62 173.41 2gw6 s PRO 75 N 2.17 2.99 0.56 4.92 0.04 -1.26 -1.65 135.00 142.76 2gw6 s PRO 75 Ca -0.01 1.28 0.36 0.00 0.04 0.00 0.00 61.00 62.67 2gw6 s PRO 75 Cb -0.12 -1.98 1.70 0.00 0.04 0.00 0.00 34.50 34.14 2gw6 s PRO 75 CO -0.09 -1.08 2.08 0.97 0.04 0.00 0.00 177.00 178.92 2gw6 h ILE 76 N 0.10 0.00 -0.62 0.56 -0.00 -1.49 -2.11 117.51 113.96 2gw6 h ILE 76 Ca -0.46 -0.28 0.00 0.00 -0.00 0.00 0.00 64.86 64.12 2gw6 h ILE 76 Cb 1.23 1.23 0.00 0.00 -0.00 0.00 0.00 36.82 39.28 2gw6 h ILE 76 CO 0.55 0.00 0.00 1.07 -0.00 0.00 0.00 178.15 179.77 2gw6 n THR 77 N -2.97 1.32 -3.40 2.19 5.66 -1.26 -4.91 114.28 110.91 2gw6 n THR 77 Ca -0.01 -0.98 -0.20 0.00 -3.05 0.00 0.00 64.05 59.82 2gw6 n THR 77 Cb 0.20 0.23 -0.01 0.00 -1.55 0.00 0.00 70.33 69.20 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 -1.53 4.26 -0.05 1.79 0.00 -0.79 -5.12 121.76 120.32 2gw6 s ALA 78 Ca 0.45 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.66 2gw6 s ALA 78 Cb 0.27 -1.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2gw6 s ALA 78 CO 0.25 -0.30 -0.24 -1.54 0.00 0.00 0.00 175.76 173.93 2gw6 s SER 79 N -4.24 3.19 0.59 0.00 1.04 -1.26 -4.98 113.70 108.04 2gw6 s SER 79 Ca 0.50 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 2gw6 s SER 79 Cb -0.05 -0.81 0.03 0.00 0.10 0.00 0.00 66.02 65.29 2gw6 s SER 79 CO 0.30 0.26 0.86 -0.22 0.98 0.00 0.00 173.24 175.41 2gw6 s LEU 80 N -0.25 3.17 -0.06 2.42 2.96 -1.26 -5.07 118.68 120.59 2gw6 s LEU 80 Ca -0.01 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 2gw6 s LEU 80 Cb -0.13 -3.09 0.09 0.00 0.50 0.00 0.00 46.19 43.56 2gw6 s LEU 80 CO 0.03 -1.21 0.78 -0.94 -1.32 0.00 0.00 176.35 173.69 2gw6 s SER 81 N -4.41 -0.55 0.38 3.68 1.04 -1.26 -4.99 113.70 107.59 2gw6 s SER 81 Ca 0.56 0.52 0.09 0.00 0.48 0.00 0.00 55.95 57.60 2gw6 s SER 81 Cb -0.10 0.46 0.84 0.00 0.10 0.00 0.00 66.02 67.32 2gw6 s SER 81 CO 0.41 -0.56 1.93 -0.74 0.98 0.00 0.00 173.24 175.26 2gw6 h HIS 82 N 2.72 0.69 -0.17 5.02 2.76 -1.99 -0.56 115.15 123.62 2gw6 h HIS 82 Ca -0.25 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 57.88 2gw6 h HIS 82 Cb 1.17 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.90 2gw6 h HIS 82 CO 0.33 0.32 -0.14 -0.97 -1.30 0.00 0.00 177.93 176.17 2gw6 h ASN 83 N 0.64 0.42 -0.04 3.26 -1.24 -1.99 -2.35 115.58 114.29 2gw6 h ASN 83 Ca 0.35 -0.46 -0.11 0.00 0.71 0.00 0.00 56.30 56.79 2gw6 h ASN 83 Cb 0.50 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 2gw6 h ASN 83 CO -0.13 0.79 -0.31 0.08 -1.29 0.00 0.00 177.43 176.58 2gw6 h ARG 84 N 0.05 0.50 -0.44 6.67 -0.00 -1.77 -1.56 114.38 117.82 2gw6 h ARG 84 Ca 0.03 -0.21 -0.09 0.00 -0.00 0.00 0.00 59.98 59.71 2gw6 h ARG 84 Cb 0.67 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.61 2gw6 h ARG 84 CO 0.04 0.75 -0.09 -0.84 -0.00 0.00 0.00 179.97 179.83 2gw6 h ILE 85 N 0.43 1.27 -0.99 0.08 3.07 -1.17 0.28 117.51 120.48 2gw6 h ILE 85 Ca 0.05 -1.19 0.11 0.00 1.55 0.00 0.00 64.86 65.39 2gw6 h ILE 85 Cb 0.75 1.14 -0.08 0.00 -0.27 0.00 0.00 36.82 38.37 2gw6 h ILE 85 CO 0.06 0.40 0.63 -0.09 -1.05 0.00 0.00 178.15 178.10 2gw6 h ARG 86 N 0.67 0.96 0.00 0.16 1.12 -1.00 0.99 114.38 117.27 2gw6 h ARG 86 Ca 0.11 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.82 2gw6 h ARG 86 Cb 0.62 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 2gw6 h ARG 86 CO 0.04 0.63 -0.53 1.05 -3.11 0.00 0.00 179.97 178.05 2gw6 h GLU 87 N 0.99 0.00 -0.41 0.20 4.11 -1.04 -2.39 114.58 116.03 2gw6 h GLU 87 Ca 0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.90 2gw6 h GLU 87 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2gw6 h GLU 87 CO -0.24 0.52 0.21 0.82 0.07 0.00 0.00 179.01 180.39 2gw6 h ILE 88 N 0.00 1.16 -0.84 -1.06 2.04 0.57 0.77 117.51 120.15 2gw6 h ILE 88 Ca -0.01 -0.43 0.12 0.00 1.00 0.00 0.00 64.86 65.55 2gw6 h ILE 88 Cb 1.40 0.70 -0.08 0.00 -0.74 0.00 0.00 36.82 38.10 2gw6 h ILE 88 CO 0.07 0.17 0.45 -0.07 0.00 0.00 0.00 178.15 178.77 2gw6 h LEU 89 N 0.52 0.59 -0.39 1.44 3.38 -0.82 0.14 115.31 120.18 2gw6 h LEU 89 Ca 0.14 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.21 2gw6 h LEU 89 Cb 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2gw6 h LEU 89 CO -0.02 0.29 0.21 0.50 0.09 0.00 0.00 178.44 179.51 2gw6 h LYS 90 N 0.69 0.41 0.00 1.13 3.64 -0.84 0.37 116.57 121.98 2gw6 h LYS 90 Ca 0.43 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2gw6 h LYS 90 Cb 0.53 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2gw6 h LYS 90 CO -0.31 0.27 -0.00 0.00 -2.27 0.00 0.00 179.45 177.14 2gw6 h ALA 91 N 1.19 -0.00 0.11 5.00 0.00 0.17 -2.14 119.26 123.59 2gw6 h ALA 91 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2gw6 h ALA 91 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gw6 h ALA 91 CO -0.10 -0.50 -0.05 0.77 0.00 0.00 0.00 179.25 179.38 2gw6 h SER 92 N -0.01 -0.13 -0.36 0.00 0.02 -0.46 -2.53 113.55 110.08 2gw6 h SER 92 Ca -0.00 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.77 2gw6 h SER 92 Cb 0.01 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2gw6 h SER 92 CO 0.00 0.16 0.24 0.08 -1.14 0.00 0.00 176.83 176.17 2gw6 h ARG 93 N -0.42 0.30 -0.15 3.45 0.11 -0.26 0.20 114.38 117.60 2gw6 h ARG 93 Ca -0.02 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2gw6 h ARG 93 Cb 0.34 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 2gw6 h ARG 93 CO 0.02 0.20 0.04 -0.22 0.10 0.00 0.00 179.97 180.11 2gw6 h LYS 94 N 0.30 0.24 0.00 0.08 3.11 -1.27 -0.93 116.57 118.11 2gw6 h LYS 94 Ca 0.15 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.93 2gw6 h LYS 94 Cb 0.22 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.42 2gw6 h LYS 94 CO -0.03 0.39 -0.29 1.37 -2.81 0.00 0.00 179.45 178.07 2gw6 h LEU 95 N 0.05 0.00 -0.85 5.20 8.10 -0.69 -3.33 115.31 123.80 2gw6 h LEU 95 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.04 2gw6 h LEU 95 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 2gw6 h LEU 95 CO -0.00 0.04 -0.42 0.00 -4.11 0.00 0.00 178.44 173.95 2gw6 n GLN 96 N -3.00 1.51 -1.96 0.17 10.64 0.54 -5.00 117.38 120.27 2gw6 n GLN 96 Ca 0.03 -0.80 0.00 0.00 -1.83 0.00 0.00 57.00 54.39 2gw6 n GLN 96 Cb 0.55 -1.34 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 2gw6 n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2gw6 n GLY 97 N 1.25 0.47 3.57 2.61 0.00 -0.40 -5.04 105.19 107.65 2gw6 n GLY 97 Ca 0.07 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.96 4.46 0.97 1.61 1.01 -0.92 -5.07 116.67 115.78 2gw6 s ASP 98 Ca 0.00 -0.24 -0.12 0.00 0.71 0.00 0.00 52.55 52.89 2gw6 s ASP 98 Cb 0.00 -0.96 0.17 0.00 1.01 0.00 0.00 42.92 43.14 2gw6 s ASP 98 CO 0.00 0.25 1.11 -2.16 0.21 0.00 0.00 175.17 174.58 2gw6 s PRO 99 N -1.64 0.65 0.00 8.23 0.04 -1.26 -4.47 135.00 136.55 2gw6 s PRO 99 Ca 0.18 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2gw6 s PRO 99 Cb -0.11 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2gw6 s PRO 99 CO 0.09 -2.55 0.00 -0.25 0.04 0.00 0.00 177.00 174.33 2gw6 n ASP 100 N -4.03 0.00 -4.96 6.66 9.92 -1.26 -4.81 116.55 118.06 2gw6 n ASP 100 Ca 0.06 -0.26 -0.22 0.00 -0.53 0.00 0.00 54.79 53.84 2gw6 n ASP 100 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 2gw6 n ASP 100 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2gw6 s LEU 101 N 0.00 3.81 -0.36 0.64 0.05 -1.26 -5.04 118.68 116.53 2gw6 s LEU 101 Ca 0.00 0.15 -0.29 0.00 0.05 0.00 0.00 54.13 54.04 2gw6 s LEU 101 Cb 0.00 -3.04 -0.01 0.00 -2.05 0.00 0.00 46.19 41.09 2gw6 s LEU 101 CO 0.00 -0.55 1.65 -2.84 -0.55 0.00 0.00 176.35 174.06 2gw6 s PRO 102 N -4.39 3.44 0.00 1.48 0.02 -1.26 -4.99 135.00 129.30 2gw6 s PRO 102 Ca 0.46 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2gw6 s PRO 102 Cb -0.10 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.29 2gw6 s PRO 102 CO 0.35 -1.73 0.00 -0.12 -0.33 0.00 0.00 177.00 175.17 2gw6 n MET 103 N 8.28 2.03 -4.12 5.54 1.56 -1.26 -4.84 117.12 124.30 2gw6 n MET 103 Ca 0.20 0.00 -0.10 0.00 -0.27 0.00 0.00 57.70 57.54 2gw6 n MET 103 Cb 0.47 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.74 2gw6 n MET 103 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2gw6 s SER 104 N -0.75 0.86 0.11 6.12 0.15 -1.26 -1.23 113.70 117.70 2gw6 s SER 104 Ca 0.00 -0.93 -0.24 0.00 0.70 0.00 0.00 55.95 55.49 2gw6 s SER 104 Cb 0.00 0.12 0.06 0.00 -1.71 0.00 0.00 66.02 64.50 2gw6 s SER 104 CO 0.00 -0.47 0.58 0.72 1.20 0.00 0.00 173.24 175.27 2gw6 s PHE 105 N -3.36 -0.51 -0.21 3.44 -0.71 -0.65 -4.61 117.98 111.37 2gw6 s PHE 105 Ca 0.07 0.44 -0.06 0.00 -1.04 0.00 0.00 56.93 56.34 2gw6 s PHE 105 Cb 0.04 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 2gw6 s PHE 105 CO -0.06 -0.77 0.02 0.99 -1.34 0.00 0.00 175.22 174.06 2gw6 s THR 106 N -3.16 4.10 0.24 -4.49 2.01 0.11 -1.11 115.64 113.34 2gw6 s THR 106 Ca -0.02 -0.26 -0.25 0.00 0.31 0.00 0.00 61.69 61.47 2gw6 s THR 106 Cb -0.01 -2.87 -0.09 0.00 0.01 0.00 0.00 72.50 69.55 2gw6 s THR 106 CO -0.08 0.41 0.85 -0.76 -0.69 0.00 0.00 174.62 174.35 2gw6 s LEU 107 N 1.07 4.47 -0.29 4.42 1.43 0.48 -1.90 118.68 128.37 2gw6 s LEU 107 Ca 0.03 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 2gw6 s LEU 107 Cb -0.14 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.51 2gw6 s LEU 107 CO 0.02 0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.63 2gw6 s ALA 108 N -1.38 2.69 -0.13 4.21 0.00 -0.90 -0.33 121.76 125.92 2gw6 s ALA 108 Ca 0.43 -2.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.22 2gw6 s ALA 108 Cb -0.21 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2gw6 s ALA 108 CO 0.25 -1.36 0.35 0.42 0.00 0.00 0.00 175.76 175.42 2gw6 s ILE 109 N 1.05 5.25 -0.28 0.00 1.09 0.83 -0.22 121.20 128.92 2gw6 s ILE 109 Ca -0.02 0.68 -0.07 0.00 -1.10 0.00 0.00 60.65 60.13 2gw6 s ILE 109 Cb -0.20 -3.68 -0.01 0.00 -1.06 0.00 0.00 42.46 37.52 2gw6 s ILE 109 CO -0.06 0.41 0.07 0.68 -0.10 0.00 0.00 174.94 175.94 2gw6 s VAL 110 N 0.24 4.10 0.70 2.92 -7.23 -0.66 0.13 120.40 120.60 2gw6 s VAL 110 Ca 0.20 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 59.79 2gw6 s VAL 110 Cb -0.14 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 33.78 2gw6 s VAL 110 CO 0.07 0.19 1.06 -0.70 -0.31 0.00 0.00 175.10 175.41 2gw6 s GLU 111 N 1.55 2.91 0.46 4.82 -6.30 0.44 -1.14 118.70 121.44 2gw6 s GLU 111 Ca 0.04 0.86 0.14 0.00 -2.50 0.00 0.00 54.97 53.51 2gw6 s GLU 111 Cb -0.16 -1.99 1.09 0.00 0.00 0.00 0.00 34.13 33.06 2gw6 s GLU 111 CO 0.03 -1.09 2.03 0.77 0.02 0.00 0.00 175.26 177.01 2gw6 h SER 112 N -0.71 0.28 0.28 -1.70 0.02 -1.98 -2.93 113.55 106.80 2gw6 h SER 112 Ca -0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 2gw6 h SER 112 Cb 1.22 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2gw6 h SER 112 CO 0.58 0.18 -0.14 -0.78 -1.14 0.00 0.00 176.83 175.53 2gw6 h ASP 113 N 0.31 -0.32 0.00 3.07 3.58 -2.04 -3.47 116.42 117.55 2gw6 h ASP 113 Ca 0.20 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2gw6 h ASP 113 Cb 0.39 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2gw6 h ASP 113 CO -0.04 0.16 0.00 -0.24 -2.88 0.00 0.00 179.24 176.24 2gw6 n SER 114 N -5.03 0.00 -4.65 2.28 2.88 -1.11 -5.15 113.62 102.84 2gw6 n SER 114 Ca -0.07 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.08 2gw6 n SER 114 Cb 0.24 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.00 5.15 -0.23 2.46 2.01 -1.25 -4.89 115.64 118.89 2gw6 s THR 115 Ca 0.00 0.79 -0.18 0.00 0.31 0.00 0.00 61.69 62.61 2gw6 s THR 115 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2gw6 s THR 115 CO 0.00 0.19 0.50 -0.63 -0.69 0.00 0.00 174.62 173.99 2gw6 s ILE 116 N 1.69 5.10 -0.18 1.82 1.09 -1.26 -0.42 121.20 129.04 2gw6 s ILE 116 Ca 0.20 0.90 0.00 0.00 -1.10 0.00 0.00 60.65 60.65 2gw6 s ILE 116 Cb -0.15 -3.82 0.04 0.00 -1.06 0.00 0.00 42.46 37.46 2gw6 s ILE 116 CO 0.09 0.15 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.30 2gw6 s VAL 117 N 1.88 1.42 0.09 2.92 1.01 0.12 -4.95 120.40 122.89 2gw6 s VAL 117 Ca 0.22 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 61.14 2gw6 s VAL 117 Cb -0.15 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 2gw6 s VAL 117 CO 0.09 0.19 0.78 -0.31 0.00 0.00 0.00 175.10 175.86 2gw6 s TYR 118 N 1.50 3.81 -0.04 5.22 1.51 -1.26 -0.12 117.35 127.97 2gw6 s TYR 118 Ca 0.00 1.56 -0.01 0.00 -1.01 0.00 0.00 57.07 57.61 2gw6 s TYR 118 Cb -0.15 -2.82 0.03 0.00 -0.11 0.00 0.00 41.96 38.91 2gw6 s TYR 118 CO -0.08 0.36 0.05 -0.47 -1.11 0.00 0.00 175.55 174.30 2gw6 s TYR 119 N -0.46 0.08 -0.02 2.71 5.04 0.55 -4.97 117.35 120.28 2gw6 s TYR 119 Ca 0.38 0.21 -0.19 0.00 -2.44 0.00 0.00 57.07 55.03 2gw6 s TYR 119 Cb -0.22 -0.43 -0.05 0.00 0.35 0.00 0.00 41.96 41.61 2gw6 s TYR 119 CO 0.25 -0.17 0.54 0.21 -1.34 0.00 0.00 175.55 175.04 2gw6 s LYS 120 N 1.88 4.24 -0.12 4.97 2.20 -1.26 -0.39 119.74 131.27 2gw6 s LYS 120 Ca 0.01 0.63 0.02 0.00 -0.36 0.00 0.00 55.97 56.27 2gw6 s LYS 120 Cb -0.12 -3.33 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 2gw6 s LYS 120 CO -0.03 0.41 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.01 2gw6 s LEU 121 N -0.29 2.32 -0.20 5.43 0.20 -0.27 -4.94 118.68 120.92 2gw6 s LEU 121 Ca 0.29 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.64 2gw6 s LEU 121 Cb -0.17 -1.49 0.04 0.00 -0.43 0.00 0.00 46.19 44.14 2gw6 s LEU 121 CO 0.15 0.15 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.33 2gw6 s THR 122 N 0.42 1.92 -2.77 3.68 2.01 -1.26 -1.64 115.64 117.99 2gw6 s THR 122 Ca -0.15 -1.12 0.22 0.00 0.31 0.00 0.00 61.69 60.96 2gw6 s THR 122 Cb -0.17 -1.89 0.18 0.00 0.01 0.00 0.00 72.50 70.62 2gw6 s THR 122 CO 0.06 0.27 1.20 -0.67 -0.69 0.00 0.00 174.62 174.79