#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 -0.45 -3.64 1.43 5.08 -2.09 -3.43 114.58 111.49 2gw6 h GLU 2 Ca 0.00 0.03 -0.50 0.00 -1.00 0.00 0.00 59.36 57.89 2gw6 h GLU 2 Cb 0.00 0.10 -0.39 0.00 0.50 0.00 0.00 28.75 28.96 2gw6 h GLU 2 CO 0.00 -0.12 -0.77 0.34 -1.00 0.00 0.00 179.01 177.46 2gw6 s ASP 3 N -5.05 2.61 0.00 1.42 2.15 -1.26 -4.78 116.67 111.75 2gw6 s ASP 3 Ca -0.13 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.21 2gw6 s ASP 3 Cb 0.02 -0.59 0.00 0.00 -0.30 0.00 0.00 42.92 42.04 2gw6 s ASP 3 CO 0.49 -0.27 0.50 0.00 -0.17 0.00 0.00 175.17 175.72 2gw6 n ALA 4 N 5.05 1.91 0.02 3.66 0.00 -1.26 -4.86 120.51 125.03 2gw6 n ALA 4 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2gw6 n ALA 4 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 -0.07 -0.10 0.00 7.02 -1.26 -4.92 117.44 118.11 2gw6 n TRP 5 Ca 0.00 0.01 -0.16 0.00 -1.02 0.00 0.00 57.50 56.33 2gw6 n TRP 5 Cb 0.52 0.05 -0.07 0.00 -2.42 0.00 0.00 31.31 29.39 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 -3.10 0.53 0.00 -0.99 2.81 -1.26 -5.03 117.12 110.09 2gw6 n MET 6 Ca 0.00 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 2gw6 n MET 6 Cb 0.33 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 1.44 1.05 0.00 3.03 0.00 -1.26 -5.05 105.19 104.41 2gw6 n GLY 7 Ca -0.27 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.75 2.61 5.66 -1.26 -4.92 114.28 113.62 2gw6 n THR 8 Ca 0.00 -0.36 -0.41 0.00 -3.05 0.00 0.00 64.05 60.23 2gw6 n THR 8 Cb 0.00 1.12 -0.04 0.00 -1.55 0.00 0.00 70.33 69.86 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 -0.41 3.79 0.18 1.09 3.76 -1.26 -4.94 115.29 117.50 2gw6 s HIS 9 Ca 0.00 1.76 -0.17 0.00 -0.15 0.00 0.00 55.06 56.50 2gw6 s HIS 9 Cb 0.00 -3.04 0.14 0.00 1.11 0.00 0.00 32.58 30.79 2gw6 s HIS 9 CO 0.00 0.19 1.64 -1.35 -0.85 0.00 0.00 174.74 174.37 2gw6 h PRO 10 N 5.74 -0.05 -0.96 8.40 0.11 -1.98 0.20 132.00 143.46 2gw6 h PRO 10 Ca -0.43 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.69 2gw6 h PRO 10 Cb 1.21 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 2gw6 h PRO 10 CO 0.72 -0.03 0.63 0.87 -0.21 0.00 0.00 178.00 179.98 2gw6 h LYS 11 N -0.05 1.27 -0.14 1.05 1.57 -1.98 0.35 116.57 118.64 2gw6 h LYS 11 Ca 0.23 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2gw6 h LYS 11 Cb 0.40 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2gw6 h LYS 11 CO -0.51 0.85 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.23 2gw6 h TYR 12 N 1.31 0.33 -0.15 -1.35 3.20 -1.79 -1.97 116.97 116.55 2gw6 h TYR 12 Ca 0.35 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 62.17 2gw6 h TYR 12 Cb -0.14 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 2gw6 h TYR 12 CO -0.00 0.61 -0.04 1.25 -1.64 0.00 0.00 178.16 178.34 2gw6 h LEU 13 N -0.04 -0.15 -1.41 2.82 5.85 0.04 0.06 115.31 122.48 2gw6 h LEU 13 Ca 0.03 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.96 2gw6 h LEU 13 Cb 0.52 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2gw6 h LEU 13 CO 0.02 -0.05 0.56 -0.33 -0.34 0.00 0.00 178.44 178.29 2gw6 h GLU 14 N -0.00 0.54 -0.12 1.25 5.08 -0.31 -0.22 114.58 120.80 2gw6 h GLU 14 Ca 0.07 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 2gw6 h GLU 14 Cb 0.12 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2gw6 h GLU 14 CO -0.16 0.36 -0.67 1.98 -1.00 0.00 0.00 179.01 179.52 2gw6 h MET 15 N 0.55 0.50 0.00 2.33 4.05 -0.42 -2.92 114.93 119.02 2gw6 h MET 15 Ca 0.43 -0.37 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 2gw6 h MET 15 Cb 0.84 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 2gw6 h MET 15 CO -0.18 1.00 -0.10 0.00 0.23 0.00 0.00 176.91 177.86 2gw6 h MET 16 N 0.36 0.00 0.00 0.39 -0.00 0.38 -2.90 114.93 113.16 2gw6 h MET 16 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.57 2gw6 h MET 16 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.82 2gw6 h MET 16 CO 0.12 0.10 -0.54 0.93 -0.00 0.00 0.00 176.91 177.53 2gw6 h GLU 17 N 0.00 0.00 -6.35 -0.10 5.08 -1.00 -3.32 114.58 108.89 2gw6 h GLU 17 Ca -0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 2gw6 h GLU 17 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2gw6 h GLU 17 CO 0.01 0.54 0.90 -0.48 -1.00 0.00 0.00 179.01 178.98 2gw6 s LEU 18 N -7.64 4.31 0.00 1.33 0.05 -1.10 -4.66 118.68 110.98 2gw6 s LEU 18 Ca -0.01 2.15 0.00 0.00 0.05 0.00 0.00 54.13 56.31 2gw6 s LEU 18 Cb 0.13 -3.55 0.00 0.00 -2.05 0.00 0.00 46.19 40.71 2gw6 s LEU 18 CO 0.74 -0.78 0.00 0.47 -0.55 0.00 0.00 176.35 176.24 2gw6 n ASP 19 N 5.76 0.00 0.09 1.48 9.92 -1.26 -2.94 116.55 129.60 2gw6 n ASP 19 Ca 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.40 2gw6 n ASP 19 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 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 0.00 0.22 -2.11 0.53 5.41 -1.26 -4.68 119.36 117.46 2gw6 n ILE 20 Ca 0.00 0.07 -0.03 0.00 1.00 0.00 0.00 62.75 63.79 2gw6 n ILE 20 Cb 0.00 -0.76 0.01 0.00 -0.71 0.00 0.00 39.64 38.19 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 1.95 0.38 3.42 7.39 0.00 -1.15 -5.05 105.19 112.14 2gw6 n GLY 21 Ca 0.00 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.18 4.80 0.36 1.61 2.15 -1.26 -5.01 116.67 116.14 2gw6 s ASP 22 Ca 0.02 -0.23 0.04 0.00 0.43 0.00 0.00 52.55 52.81 2gw6 s ASP 22 Cb -0.00 -1.83 0.70 0.00 -0.30 0.00 0.00 42.92 41.49 2gw6 s ASP 22 CO 0.12 0.03 2.00 0.00 -0.17 0.00 0.00 175.17 177.15 2gw6 h ALA 23 N 7.74 1.62 0.01 3.66 0.00 -1.98 0.14 119.26 130.46 2gw6 h ALA 23 Ca -0.37 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 2gw6 h ALA 23 Cb 1.17 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.75 2gw6 h ALA 23 CO 0.60 0.32 -0.73 1.15 0.00 0.00 0.00 179.25 180.59 2gw6 h THR 24 N 0.79 1.40 0.04 0.00 2.02 -1.99 -2.03 112.91 113.13 2gw6 h THR 24 Ca 0.25 -2.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 2gw6 h THR 24 Cb 0.02 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 2gw6 h THR 24 CO -0.06 0.64 -0.02 1.56 0.37 0.00 0.00 175.52 178.01 2gw6 h GLN 25 N -0.00 -0.05 -0.55 6.66 1.08 -1.84 -0.82 115.11 119.59 2gw6 h GLN 25 Ca -0.10 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2gw6 h GLN 25 Cb 1.44 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.85 2gw6 h GLN 25 CO 0.14 0.10 0.29 -0.39 -0.95 0.00 0.00 178.83 178.02 2gw6 h VAL 26 N -0.18 1.17 0.27 -0.54 -1.51 -0.81 0.28 116.25 114.93 2gw6 h VAL 26 Ca -0.00 -0.44 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 2gw6 h VAL 26 Cb 0.16 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 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 0.76 -0.33 -0.29 5.19 3.20 -1.22 -2.45 116.97 121.83 2gw6 h TYR 27 Ca 0.19 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2gw6 h TYR 27 Cb 0.03 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 2gw6 h TYR 27 CO 0.00 0.03 0.04 0.28 -1.64 0.00 0.00 178.16 176.87 2gw6 h VAL 28 N -0.78 1.24 -0.43 1.81 2.07 -0.93 -2.55 116.25 116.68 2gw6 h VAL 28 Ca -0.04 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2gw6 h VAL 28 Cb 0.51 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2gw6 h VAL 28 CO 0.06 0.27 0.01 0.00 0.02 0.00 0.00 177.57 177.93 2gw6 h ALA 29 N 0.86 1.22 -0.34 1.67 0.00 -0.55 -2.00 119.26 120.12 2gw6 h ALA 29 Ca 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2gw6 h ALA 29 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2gw6 h ALA 29 CO 0.01 0.52 0.19 0.35 0.00 0.00 0.00 179.25 180.32 2gw6 h PHE 30 N 0.65 0.46 -0.60 0.00 3.57 -1.19 0.25 116.94 120.07 2gw6 h PHE 30 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2gw6 h PHE 30 Cb 0.39 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2gw6 h PHE 30 CO 0.02 0.35 0.35 -0.07 -2.23 0.00 0.00 178.31 176.73 2gw6 h LEU 31 N 0.43 0.73 -0.12 0.59 -0.00 -1.07 -1.25 115.31 114.62 2gw6 h LEU 31 Ca 0.12 -0.07 -0.24 0.00 -0.00 0.00 0.00 57.88 57.69 2gw6 h LEU 31 Cb 0.03 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 40.52 2gw6 h LEU 31 CO -0.02 0.59 -0.86 -0.37 -0.00 0.00 0.00 178.44 177.77 2gw6 h VAL 32 N 0.81 1.28 -0.51 1.22 -1.51 -1.17 -2.08 116.25 114.30 2gw6 h VAL 32 Ca 0.21 -2.07 0.10 0.00 -1.23 0.00 0.00 66.70 63.71 2gw6 h VAL 32 Cb 0.00 2.12 -0.08 0.00 -2.13 0.00 0.00 31.29 31.19 2gw6 h VAL 32 CO -0.04 0.65 0.01 0.22 -1.23 0.00 0.00 177.57 177.18 2gw6 h TYR 33 N 0.48 -0.02 0.00 5.19 3.20 -0.32 0.31 116.97 125.80 2gw6 h TYR 33 Ca -0.08 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 2gw6 h TYR 33 Cb 1.50 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.85 2gw6 h TYR 33 CO 0.09 -0.11 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.09 2gw6 h LEU 34 N 0.12 0.00 -0.00 2.82 4.07 -1.22 -2.31 115.31 118.79 2gw6 h LEU 34 Ca 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.21 2gw6 h LEU 34 Cb 0.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2gw6 h LEU 34 CO -0.42 0.34 -0.02 -0.78 -1.08 0.00 0.00 178.44 176.48 2gw6 h ASP 35 N 0.00 0.02 -0.72 -0.43 1.82 -0.33 -2.17 116.42 114.61 2gw6 h ASP 35 Ca -0.00 -0.63 0.14 0.00 -0.39 0.00 0.00 57.03 56.14 2gw6 h ASP 35 Cb 0.68 -0.01 -0.09 0.00 0.68 0.00 0.00 39.33 40.59 2gw6 h ASP 35 CO 0.04 0.65 0.26 -0.07 -1.61 0.00 0.00 179.24 178.52 2gw6 h LEU 36 N -0.61 0.22 0.16 2.28 3.38 -0.40 0.66 115.31 121.00 2gw6 h LEU 36 Ca -0.00 0.11 -0.28 0.00 0.09 0.00 0.00 57.88 57.80 2gw6 h LEU 36 Cb 0.65 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.52 2gw6 h LEU 36 CO 0.00 0.08 -1.36 -0.03 0.09 0.00 0.00 178.44 177.22 2gw6 h MET 37 N 0.40 0.34 -0.01 1.13 4.05 -1.44 0.49 114.93 119.90 2gw6 h MET 37 Ca 0.39 -0.59 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 2gw6 h MET 37 Cb 0.60 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2gw6 h MET 37 CO -0.41 1.28 -0.24 -0.85 0.23 0.00 0.00 176.91 176.93 2gw6 n GLU 38 N -3.86 2.59 -0.01 0.39 0.28 -0.82 -4.00 120.64 115.21 2gw6 n GLU 38 Ca -0.21 -0.45 -0.04 0.00 -0.16 0.00 0.00 57.16 56.30 2gw6 n GLU 38 Cb 0.96 -1.02 -0.01 0.00 1.43 0.00 0.00 31.44 32.79 2gw6 n GLU 38 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2gw6 n SER 39 N -0.48 1.34 -0.06 -1.84 2.88 0.12 -4.67 113.62 110.90 2gw6 n SER 39 Ca 0.03 0.20 0.14 0.00 -1.33 0.00 0.00 58.87 57.91 2gw6 n SER 39 Cb 0.18 -0.47 0.54 0.00 -0.75 0.00 0.00 64.21 63.71 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 -3.81 0.38 -3.34 -1.46 4.81 0.19 -5.00 118.16 109.94 2gw6 n LYS 40 Ca -0.07 -0.13 -0.22 0.00 -0.87 0.00 0.00 58.31 57.02 2gw6 n LYS 40 Cb 0.25 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.82 2gw6 n LYS 40 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2gw6 n SER 41 N -1.19 -6.34 -4.88 3.14 7.64 -0.50 -4.97 113.62 106.52 2gw6 n SER 41 Ca 0.11 -0.15 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 2gw6 n SER 41 Cb 0.30 -3.19 0.01 0.00 -1.01 0.00 0.00 64.21 60.32 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 -2.35 3.60 0.02 1.43 0.52 0.16 -4.98 118.94 117.34 2gw6 s TRP 42 Ca 0.20 1.22 -0.03 0.00 0.02 0.00 0.00 56.10 57.51 2gw6 s TRP 42 Cb -0.03 -2.69 -0.28 0.00 -1.15 0.00 0.00 33.47 29.32 2gw6 s TRP 42 CO 0.83 -0.67 0.93 1.25 0.02 0.00 0.00 176.95 179.32 2gw6 h HIS 43 N -0.27 0.45 -2.31 -1.98 -0.00 -1.30 -3.47 115.15 106.27 2gw6 h HIS 43 Ca -0.44 -0.33 -0.03 0.00 -0.00 0.00 0.00 60.37 59.57 2gw6 h HIS 43 Cb 1.20 -0.02 -0.24 0.00 -0.00 0.00 0.00 27.41 28.34 2gw6 h HIS 43 CO 0.64 1.34 -0.26 -2.00 -0.00 0.00 0.00 177.93 177.65 2gw6 s GLU 44 N -2.63 0.44 -0.07 5.26 2.56 -0.27 -4.94 118.70 119.06 2gw6 s GLU 44 Ca -0.07 1.19 0.01 0.00 0.00 0.00 0.00 54.97 56.09 2gw6 s GLU 44 Cb 0.07 0.50 0.02 0.00 2.00 0.00 0.00 34.13 36.72 2gw6 s GLU 44 CO 0.86 -0.22 -0.07 0.08 -0.56 0.00 0.00 175.26 175.35 2gw6 s VAL 45 N 2.61 0.79 0.13 3.70 1.01 -1.26 -0.99 120.40 126.39 2gw6 s VAL 45 Ca -0.04 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 61.81 2gw6 s VAL 45 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2gw6 s VAL 45 CO -0.15 0.30 -0.26 0.20 0.00 0.00 0.00 175.10 175.18 2gw6 s ASN 46 N 1.11 3.36 -0.23 3.32 0.01 -0.75 -4.96 114.94 116.80 2gw6 s ASN 46 Ca -0.07 -0.74 -0.04 0.00 -0.71 0.00 0.00 52.86 51.30 2gw6 s ASN 46 Cb -0.14 -0.24 -0.00 0.00 0.41 0.00 0.00 41.25 41.28 2gw6 s ASN 46 CO -0.01 0.18 -0.04 0.00 -1.51 0.00 0.00 177.10 175.72 2gw6 s VAL 48 N 1.45 0.54 -0.16 0.00 1.01 -0.54 -5.01 120.40 117.69 2gw6 s VAL 48 Ca 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2gw6 s VAL 48 Cb -0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2gw6 s VAL 48 CO -0.03 0.16 0.05 -0.83 0.00 0.00 0.00 175.10 174.45 2gw6 s GLY 49 N 0.00 1.90 -0.43 4.51 0.00 -1.26 -0.71 107.32 111.33 2gw6 s GLY 49 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2gw6 s GLY 49 CO -0.00 -0.07 0.16 1.08 0.00 0.00 0.00 173.10 174.27 2gw6 s LEU 50 N 0.11 4.62 0.45 0.66 1.43 0.18 -4.78 118.68 121.34 2gw6 s LEU 50 Ca 0.04 -2.53 0.18 0.00 -1.03 0.00 0.00 54.13 50.80 2gw6 s LEU 50 Cb -0.12 -1.65 1.13 0.00 0.03 0.00 0.00 46.19 45.58 2gw6 s LEU 50 CO 0.01 -0.33 1.92 -0.65 0.23 0.00 0.00 176.35 177.53 2gw6 h PRO 51 N 7.15 0.32 -0.58 1.29 0.11 -1.83 0.46 132.00 138.92 2gw6 h PRO 51 Ca -0.06 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 2gw6 h PRO 51 Cb 0.97 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 2gw6 h PRO 51 CO 0.60 0.21 -0.01 1.05 -0.21 0.00 0.00 178.00 179.64 2gw6 h GLU 52 N 0.33 1.01 -0.01 1.05 4.11 -1.93 -2.30 114.58 116.84 2gw6 h GLU 52 Ca 0.37 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2gw6 h GLU 52 Cb 0.96 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2gw6 h GLU 52 CO -0.10 1.00 -0.47 1.28 0.07 0.00 0.00 179.01 180.79 2gw6 n LEU 53 N -4.18 1.11 -1.50 3.06 4.32 -0.91 -4.95 117.00 113.95 2gw6 n LEU 53 Ca 0.03 -0.34 -0.15 0.00 -0.02 0.00 0.00 56.01 55.53 2gw6 n LEU 53 Cb 0.35 -0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2gw6 n LEU 53 CO 0.44 0.22 -0.17 1.67 -1.22 0.00 0.00 177.39 178.33 2gw6 n GLN 54 N -0.84 -1.13 -4.44 3.23 -0.06 0.10 -4.98 117.38 109.26 2gw6 n GLN 54 Ca 0.09 0.82 -0.22 0.00 -2.00 0.00 0.00 57.00 55.69 2gw6 n GLN 54 Cb 0.37 -5.08 -0.10 0.00 -4.06 0.00 0.00 30.24 21.37 2gw6 n GLN 54 CO 0.00 0.00 0.00 -0.48 -0.20 0.00 0.00 177.06 176.38 2gw6 s LEU 55 N -3.96 2.45 0.03 1.69 0.05 -0.90 -4.98 118.68 113.06 2gw6 s LEU 55 Ca 0.00 -1.23 0.08 0.00 0.05 0.00 0.00 54.13 53.03 2gw6 s LEU 55 Cb 0.00 -0.61 -0.03 0.00 -2.05 0.00 0.00 46.19 43.50 2gw6 s LEU 55 CO 0.00 -0.39 -0.23 -0.63 -0.55 0.00 0.00 176.35 174.55 2gw6 s ILE 56 N -3.04 2.40 -0.02 1.48 1.09 -1.26 0.47 121.20 122.32 2gw6 s ILE 56 Ca 0.31 -1.24 -0.12 0.00 -1.10 0.00 0.00 60.65 58.50 2gw6 s ILE 56 Cb 0.05 -1.95 0.02 0.00 -1.06 0.00 0.00 42.46 39.52 2gw6 s ILE 56 CO 0.13 0.41 0.26 0.00 -0.10 0.00 0.00 174.94 175.64 2gw6 s LEU 58 N -1.21 3.32 -0.07 0.00 2.01 -0.64 -1.47 118.68 120.62 2gw6 s LEU 58 Ca -0.13 -0.18 0.03 0.00 0.01 0.00 0.00 54.13 53.86 2gw6 s LEU 58 Cb -0.06 -1.85 0.01 0.00 0.01 0.00 0.00 46.19 44.31 2gw6 s LEU 58 CO 0.03 0.06 -0.14 -0.69 1.01 0.00 0.00 176.35 176.62 2gw6 s VAL 59 N 1.03 1.30 0.00 -1.59 1.01 -0.78 -1.34 120.40 120.04 2gw6 s VAL 59 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2gw6 s VAL 59 Cb -0.14 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.07 2gw6 s VAL 59 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2gw6 n GLY 60 N 3.75 1.35 3.15 4.51 0.00 -0.89 -1.81 105.19 115.25 2gw6 n GLY 60 Ca -0.22 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.30 2.43 0.19 2.61 -4.23 -0.16 -1.28 115.64 114.90 2gw6 s THR 61 Ca 0.00 -1.11 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 2gw6 s THR 61 Cb 0.00 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.72 2gw6 s THR 61 CO 0.00 0.28 1.66 -0.08 -0.54 0.00 0.00 174.62 175.94 2gw6 h GLU 62 N 7.93 1.10 -3.36 3.99 4.81 -1.81 -0.58 114.58 126.65 2gw6 h GLU 62 Ca -0.35 -0.32 -0.36 0.00 -0.13 0.00 0.00 59.36 58.20 2gw6 h GLU 62 Cb 1.11 -0.11 -0.38 0.00 0.63 0.00 0.00 28.75 29.99 2gw6 h GLU 62 CO 0.57 1.04 -0.74 0.42 -0.73 0.00 0.00 179.01 179.57 2gw6 s ILE 63 N -5.11 -0.08 0.54 2.32 -1.09 -1.26 -2.86 121.20 113.66 2gw6 s ILE 63 Ca -0.12 0.38 -0.21 0.00 -2.23 0.00 0.00 60.65 58.47 2gw6 s ILE 63 Cb 0.14 -0.16 -0.05 0.00 -1.58 0.00 0.00 42.46 40.81 2gw6 s ILE 63 CO 0.86 0.17 1.23 -0.70 -1.23 0.00 0.00 174.94 175.27 2gw6 s GLU 64 N 1.98 3.28 0.00 2.79 2.12 -1.26 -2.35 118.70 125.26 2gw6 s GLU 64 Ca 0.03 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.27 2gw6 s GLU 64 Cb -0.12 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.10 2gw6 s GLU 64 CO -0.03 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.12 2gw6 n GLY 65 N 0.54 2.56 3.76 -1.50 0.00 -1.26 -5.00 105.19 104.29 2gw6 n GLY 65 Ca 0.11 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2gw6 n GLY 65 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gw6 n GLU 66 N 0.00 -1.45 -1.75 1.61 0.00 -0.99 -5.05 120.64 113.00 2gw6 n GLU 66 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 57.16 54.87 2gw6 n GLU 66 Cb 0.00 -1.37 0.20 0.00 0.00 0.00 0.00 31.44 30.27 2gw6 n GLU 66 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2gw6 s GLY 67 N -5.73 1.74 -0.05 8.31 0.00 -1.26 -4.93 107.32 105.41 2gw6 s GLY 67 Ca 0.74 -1.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.00 2gw6 s GLY 67 CO 0.52 -0.36 0.95 1.08 0.00 0.00 0.00 173.10 175.29 2gw6 s LEU 68 N -6.12 4.32 -0.09 0.66 2.01 -1.26 -4.60 118.68 113.59 2gw6 s LEU 68 Ca 0.74 1.55 -0.06 0.00 0.01 0.00 0.00 54.13 56.37 2gw6 s LEU 68 Cb -0.05 -3.50 -0.04 0.00 0.01 0.00 0.00 46.19 42.61 2gw6 s LEU 68 CO 0.54 -0.31 0.14 -1.10 1.01 0.00 0.00 176.35 176.63 2gw6 s GLN 69 N 1.35 3.42 -0.21 1.70 -1.52 -0.41 -4.80 119.66 119.19 2gw6 s GLN 69 Ca 0.49 -0.19 0.01 0.00 -1.95 0.00 0.00 55.36 53.72 2gw6 s GLN 69 Cb -0.20 -3.15 0.05 0.00 -0.22 0.00 0.00 33.01 29.49 2gw6 s GLN 69 CO 0.23 0.75 -0.09 0.99 -0.25 0.00 0.00 175.29 176.92 2gw6 s THR 70 N -1.09 1.65 -0.13 -0.19 2.01 -1.26 -2.09 115.64 114.54 2gw6 s THR 70 Ca 0.18 -1.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 2gw6 s THR 70 Cb -0.12 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 2gw6 s THR 70 CO 0.07 0.08 -0.06 0.68 -0.69 0.00 0.00 174.62 174.71 2gw6 s VAL 71 N 1.37 3.75 -0.18 3.82 -7.23 -0.45 -1.28 120.40 120.20 2gw6 s VAL 71 Ca -0.03 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2gw6 s VAL 71 Cb -0.17 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.18 2gw6 s VAL 71 CO -0.07 0.52 -0.19 0.68 -0.31 0.00 0.00 175.10 175.73 2gw6 s VAL 72 N 0.08 2.14 0.03 1.32 -7.23 -0.88 -1.62 120.40 114.23 2gw6 s VAL 72 Ca -0.01 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 2gw6 s VAL 72 Cb -0.14 -1.90 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 2gw6 s VAL 72 CO 0.03 0.53 1.96 -2.16 -0.31 0.00 0.00 175.10 175.15 2gw6 s PRO 73 N 1.29 4.13 -0.12 4.82 0.04 -1.26 -1.50 135.00 142.40 2gw6 s PRO 73 Ca 0.05 2.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.66 2gw6 s PRO 73 Cb -0.13 -4.16 0.04 0.00 0.04 0.00 0.00 34.50 30.29 2gw6 s PRO 73 CO -0.12 -0.97 -0.00 0.99 0.04 0.00 0.00 177.00 176.94 2gw6 s THR 74 N 4.51 0.54 0.49 1.26 2.01 0.12 -4.93 115.64 119.65 2gw6 s THR 74 Ca 0.88 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.59 2gw6 s THR 74 Cb -0.42 -0.79 -0.06 0.00 0.01 0.00 0.00 72.50 71.24 2gw6 s THR 74 CO 0.41 0.12 0.89 -2.16 -0.69 0.00 0.00 174.62 173.19 2gw6 s PRO 75 N 1.89 3.75 0.13 4.92 0.04 -1.26 -0.94 135.00 143.53 2gw6 s PRO 75 Ca 0.03 0.62 0.18 0.00 0.04 0.00 0.00 61.00 61.87 2gw6 s PRO 75 Cb -0.14 -2.25 0.77 0.00 0.04 0.00 0.00 34.50 32.92 2gw6 s PRO 75 CO -0.07 -0.24 1.55 -0.89 0.04 0.00 0.00 177.00 177.40 2gw6 n ILE 76 N -1.82 0.98 0.83 0.56 2.08 -1.05 -2.32 119.36 118.62 2gw6 n ILE 76 Ca 0.04 0.28 0.13 0.00 0.56 0.00 0.00 62.75 63.76 2gw6 n ILE 76 Cb 0.54 -1.13 0.36 0.00 -0.75 0.00 0.00 39.64 38.65 2gw6 n ILE 76 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2gw6 n THR 77 N -1.85 0.19 -2.86 1.39 5.66 -1.26 -4.83 114.28 110.71 2gw6 n THR 77 Ca 0.02 -0.12 -0.19 0.00 -3.05 0.00 0.00 64.05 60.71 2gw6 n THR 77 Cb 0.18 -0.19 0.08 0.00 -1.55 0.00 0.00 70.33 68.86 2gw6 n THR 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gw6 n ALA 78 N -1.63 0.78 -2.74 1.79 0.00 -0.98 -5.13 120.51 112.61 2gw6 n ALA 78 Ca 0.05 -1.91 -0.17 0.00 0.00 0.00 0.00 53.44 51.41 2gw6 n ALA 78 Cb 0.38 0.45 -0.14 0.00 0.00 0.00 0.00 19.45 20.14 2gw6 n ALA 78 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gw6 s SER 79 N -4.54 0.99 0.66 0.00 1.04 -1.26 -4.98 113.70 105.61 2gw6 s SER 79 Ca 0.59 -0.28 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 2gw6 s SER 79 Cb -0.04 -0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.10 2gw6 s SER 79 CO 0.38 0.02 0.92 -0.22 0.98 0.00 0.00 173.24 175.32 2gw6 s LEU 80 N -0.64 3.06 -0.17 2.42 2.96 -1.26 -4.99 118.68 120.07 2gw6 s LEU 80 Ca -0.00 -0.17 -0.32 0.00 -0.22 0.00 0.00 54.13 53.42 2gw6 s LEU 80 Cb -0.05 -2.38 0.14 0.00 0.50 0.00 0.00 46.19 44.40 2gw6 s LEU 80 CO 0.00 -1.59 1.13 -0.94 -1.32 0.00 0.00 176.35 173.63 2gw6 s SER 81 N -4.61 -0.22 0.61 3.68 1.04 -1.26 -4.88 113.70 108.06 2gw6 s SER 81 Ca 0.63 0.11 0.38 0.00 0.48 0.00 0.00 55.95 57.55 2gw6 s SER 81 Cb -0.07 0.21 2.00 0.00 0.10 0.00 0.00 66.02 68.25 2gw6 s SER 81 CO 0.42 -0.29 2.23 1.12 0.98 0.00 0.00 173.24 177.71 2gw6 h HIS 82 N 2.16 0.00 -0.05 5.02 2.07 -1.99 0.20 115.15 122.56 2gw6 h HIS 82 Ca -0.13 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.28 2gw6 h HIS 82 Cb 1.18 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.17 2gw6 h HIS 82 CO 0.26 0.02 -0.38 -0.91 -3.07 0.00 0.00 177.93 173.85 2gw6 h ASN 83 N 0.00 0.42 -0.07 3.10 2.35 -1.99 -1.68 115.58 117.71 2gw6 h ASN 83 Ca -0.00 -0.69 -0.07 0.00 -0.55 0.00 0.00 56.30 54.99 2gw6 h ASN 83 Cb 0.16 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2gw6 h ASN 83 CO 0.00 1.05 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.59 2gw6 h ARG 84 N -0.17 0.41 -0.14 0.81 1.12 -1.60 -1.43 114.38 113.38 2gw6 h ARG 84 Ca -0.03 -0.12 0.03 0.00 -1.11 0.00 0.00 59.98 58.75 2gw6 h ARG 84 Cb 1.06 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.94 2gw6 h ARG 84 CO 0.08 0.56 -0.07 0.82 -3.11 0.00 0.00 179.97 178.24 2gw6 h ILE 85 N 0.38 0.77 -0.21 1.20 2.04 -0.55 -1.74 117.51 119.39 2gw6 h ILE 85 Ca 0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.98 2gw6 h ILE 85 Cb 0.49 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2gw6 h ILE 85 CO 0.03 0.00 0.15 0.03 0.00 0.00 0.00 178.15 178.36 2gw6 h ARG 86 N -0.06 0.05 -0.02 2.37 -0.00 -0.30 0.41 114.38 116.82 2gw6 h ARG 86 Ca 0.08 -0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 59.31 2gw6 h ARG 86 Cb 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 29.97 30.15 2gw6 h ARG 86 CO -0.18 0.03 -0.97 1.05 0.00 0.00 0.00 179.97 179.90 2gw6 h GLU 87 N 0.05 0.58 -0.12 0.04 4.11 -1.07 -2.12 114.58 116.04 2gw6 h GLU 87 Ca 0.10 -0.60 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 2gw6 h GLU 87 Cb 0.33 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2gw6 h GLU 87 CO -0.01 1.22 0.04 0.82 0.07 0.00 0.00 179.01 181.15 2gw6 h ILE 88 N 0.34 1.18 -0.22 -1.06 2.04 -0.28 0.47 117.51 119.98 2gw6 h ILE 88 Ca -0.10 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.27 2gw6 h ILE 88 Cb 1.61 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 38.93 2gw6 h ILE 88 CO 0.18 0.16 -0.39 -0.07 0.00 0.00 0.00 178.15 178.03 2gw6 h LEU 89 N 0.01 -1.24 -1.13 1.44 3.38 -0.31 0.93 115.31 118.39 2gw6 h LEU 89 Ca 0.04 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2gw6 h LEU 89 Cb 0.22 0.52 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2gw6 h LEU 89 CO -0.00 -0.39 0.50 0.50 0.09 0.00 0.00 178.44 179.14 2gw6 h LYS 90 N -0.41 1.09 0.37 1.13 1.63 -1.19 0.31 116.57 119.50 2gw6 h LYS 90 Ca 0.10 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2gw6 h LYS 90 Cb 0.59 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2gw6 h LYS 90 CO -0.44 0.76 -0.20 0.00 -3.45 0.00 0.00 179.45 176.12 2gw6 h ALA 91 N 1.43 -0.53 0.00 5.00 0.00 -0.40 -1.49 119.26 123.28 2gw6 h ALA 91 Ca 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2gw6 h ALA 91 Cb -0.06 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2gw6 h ALA 91 CO -0.06 -0.80 -0.26 1.03 0.00 0.00 0.00 179.25 179.16 2gw6 h SER 92 N -0.53 0.00 -0.57 0.00 0.87 -0.46 -1.14 113.55 111.72 2gw6 h SER 92 Ca -0.05 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2gw6 h SER 92 Cb 0.42 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2gw6 h SER 92 CO 0.07 0.26 0.22 0.03 -0.53 0.00 0.00 176.83 176.88 2gw6 h ARG 93 N 0.00 0.90 0.01 2.24 3.08 0.14 0.73 114.38 121.48 2gw6 h ARG 93 Ca -0.00 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.70 2gw6 h ARG 93 Cb 0.70 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2gw6 h ARG 93 CO 0.03 0.75 -0.89 -0.22 -1.07 0.00 0.00 179.97 178.57 2gw6 h LYS 94 N 0.88 0.09 0.22 0.04 3.64 -0.82 -1.30 116.57 119.32 2gw6 h LYS 94 Ca 0.20 -0.11 -0.29 0.00 -1.27 0.00 0.00 60.65 59.19 2gw6 h LYS 94 Cb 0.21 0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2gw6 h LYS 94 CO -0.01 0.92 -1.26 1.25 -2.27 0.00 0.00 179.45 178.08 2gw6 h LEU 95 N 0.05 0.72 -0.05 5.20 7.12 -0.23 -3.23 115.31 124.89 2gw6 h LEU 95 Ca -0.03 -0.93 0.00 0.00 0.13 0.00 0.00 57.88 57.05 2gw6 h LEU 95 Cb 1.55 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 2gw6 h LEU 95 CO 0.13 1.61 0.00 1.56 -0.13 0.00 0.00 178.44 181.60 2gw6 h GLN 96 N -0.04 0.00 -0.97 1.25 1.08 0.34 -3.47 115.11 113.31 2gw6 h GLN 96 Ca -0.22 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.78 2gw6 h GLN 96 Cb 1.99 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.38 2gw6 h GLN 96 CO 0.23 0.00 -0.22 0.41 -0.95 0.00 0.00 178.83 178.30 2gw6 n GLY 97 N 1.17 0.50 2.90 3.46 0.00 -0.79 -5.01 105.19 107.41 2gw6 n GLY 97 Ca 0.05 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 2gw6 n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gw6 s ASP 98 N -2.71 2.83 0.00 1.61 -1.08 -0.56 -5.01 116.67 111.76 2gw6 s ASP 98 Ca 0.00 -0.66 0.27 0.00 -0.52 0.00 0.00 52.55 51.64 2gw6 s ASP 98 Cb 0.00 -0.93 0.95 0.00 -1.46 0.00 0.00 42.92 41.48 2gw6 s ASP 98 CO 0.00 -0.18 1.69 -0.81 0.52 0.00 0.00 175.17 176.39 2gw6 n PRO 99 N 4.87 0.67 0.00 4.34 -0.04 -1.26 -4.35 135.00 139.23 2gw6 n PRO 99 Ca -0.12 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 2gw6 n PRO 99 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.89 0.00 -4.68 3.54 5.75 -1.26 -5.05 116.55 113.96 2gw6 n ASP 100 Ca 0.12 -0.47 -0.42 0.00 -0.01 0.00 0.00 54.79 54.01 2gw6 n ASP 100 Cb 0.32 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.00 4.32 -0.29 -2.12 1.43 -1.26 -4.91 118.68 115.84 2gw6 s LEU 101 Ca 0.00 2.19 -0.28 0.00 -1.03 0.00 0.00 54.13 55.00 2gw6 s LEU 101 Cb 0.00 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2gw6 s LEU 101 CO 0.00 -0.79 1.97 -2.84 0.23 0.00 0.00 176.35 174.91 2gw6 s PRO 102 N 2.81 3.23 0.00 1.29 0.02 -1.26 -4.92 135.00 136.16 2gw6 s PRO 102 Ca 0.67 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.33 2gw6 s PRO 102 Cb -0.33 -4.27 0.00 0.00 0.02 0.00 0.00 34.50 29.92 2gw6 s PRO 102 CO 0.27 -1.99 0.00 -0.12 -0.33 0.00 0.00 177.00 174.84 2gw6 n MET 103 N 8.57 2.97 -3.91 5.54 1.56 -1.26 -5.00 117.12 125.59 2gw6 n MET 103 Ca 0.26 0.00 -0.08 0.00 -0.27 0.00 0.00 57.70 57.61 2gw6 n MET 103 Cb 0.46 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.80 2gw6 n MET 103 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2gw6 s SER 104 N -0.03 -0.17 0.02 6.12 0.01 -1.26 -3.20 113.70 115.19 2gw6 s SER 104 Ca 0.00 -0.76 -0.15 0.00 1.31 0.00 0.00 55.95 56.34 2gw6 s SER 104 Cb 0.00 0.68 0.03 0.00 0.21 0.00 0.00 66.02 66.94 2gw6 s SER 104 CO 0.00 -1.29 0.34 0.72 0.41 0.00 0.00 173.24 173.42 2gw6 s PHE 105 N -3.87 -0.17 -0.15 2.43 -0.71 -1.22 -4.40 117.98 109.89 2gw6 s PHE 105 Ca 0.16 0.15 -0.05 0.00 -1.04 0.00 0.00 56.93 56.14 2gw6 s PHE 105 Cb -0.04 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 2gw6 s PHE 105 CO 0.08 -0.48 0.03 0.99 -1.34 0.00 0.00 175.22 174.50 2gw6 s THR 106 N -2.08 4.51 -0.09 -4.49 2.01 -0.40 -2.45 115.64 112.64 2gw6 s THR 106 Ca -0.08 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.53 2gw6 s THR 106 Cb -0.02 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 2gw6 s THR 106 CO -0.00 0.51 0.79 -0.76 -0.69 0.00 0.00 174.62 174.47 2gw6 s LEU 107 N 0.04 4.28 -0.59 4.42 1.43 0.80 -2.08 118.68 126.98 2gw6 s LEU 107 Ca 0.04 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.24 2gw6 s LEU 107 Cb -0.13 -3.22 0.13 0.00 0.03 0.00 0.00 46.19 43.00 2gw6 s LEU 107 CO 0.01 -0.23 0.61 0.00 0.23 0.00 0.00 176.35 176.98 2gw6 s ALA 108 N 1.27 3.59 -0.16 4.21 0.00 -0.56 -2.28 121.76 127.84 2gw6 s ALA 108 Ca 0.40 -2.50 -0.18 0.00 0.00 0.00 0.00 51.96 49.68 2gw6 s ALA 108 Cb -0.18 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2gw6 s ALA 108 CO 0.18 -2.19 0.48 0.42 0.00 0.00 0.00 175.76 174.65 2gw6 s ILE 109 N 1.90 5.16 -0.11 0.00 1.01 -0.32 0.14 121.20 128.98 2gw6 s ILE 109 Ca 0.08 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.66 2gw6 s ILE 109 Cb -0.25 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.42 2gw6 s ILE 109 CO 0.03 0.27 -0.16 0.54 0.00 0.00 0.00 174.94 175.62 2gw6 s VAL 110 N 1.05 1.52 0.75 2.92 0.11 -0.11 0.13 120.40 126.76 2gw6 s VAL 110 Ca 0.24 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 2gw6 s VAL 110 Cb -0.15 -1.39 0.15 0.00 -1.53 0.00 0.00 36.38 33.46 2gw6 s VAL 110 CO 0.10 0.45 1.02 -1.84 -3.33 0.00 0.00 175.10 171.49 2gw6 n GLU 111 N 4.19 -0.22 0.00 1.54 -0.00 -1.06 -2.52 120.64 122.57 2gw6 n GLU 111 Ca -0.19 -2.64 0.13 0.00 -0.00 0.00 0.00 57.16 54.46 2gw6 n GLU 111 Cb 0.51 -0.72 0.74 0.00 -0.00 0.00 0.00 31.44 31.97 2gw6 n GLU 111 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gw6 n SER 112 N -2.99 0.00 -0.61 -1.84 2.88 -1.26 -1.63 113.62 108.17 2gw6 n SER 112 Ca 0.16 -0.66 0.12 0.00 -1.33 0.00 0.00 58.87 57.16 2gw6 n SER 112 Cb 0.58 -0.06 0.10 0.00 -0.75 0.00 0.00 64.21 64.09 2gw6 n SER 112 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2gw6 n ASP 113 N -1.06 2.17 -0.94 -3.46 2.03 -1.26 -4.95 116.55 109.09 2gw6 n ASP 113 Ca 0.18 -1.59 -0.03 0.00 0.52 0.00 0.00 54.79 53.87 2gw6 n ASP 113 Cb 0.11 0.27 0.01 0.00 -0.72 0.00 0.00 41.12 40.79 2gw6 n ASP 113 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2gw6 n SER 114 N 0.33 -2.43 -4.81 1.67 7.64 -0.65 -5.06 113.62 110.31 2gw6 n SER 114 Ca 0.12 -0.07 -0.37 0.00 1.01 0.00 0.00 58.87 59.56 2gw6 n SER 114 Cb 0.49 -1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 2gw6 n SER 114 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2gw6 s THR 115 N -3.04 5.28 -0.20 0.44 2.01 -1.26 -4.94 115.64 113.94 2gw6 s THR 115 Ca 0.06 0.53 -0.06 0.00 0.31 0.00 0.00 61.69 62.53 2gw6 s THR 115 Cb -0.03 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2gw6 s THR 115 CO 0.09 0.53 0.02 -0.63 -0.69 0.00 0.00 174.62 173.93 2gw6 s ILE 116 N -0.52 4.20 -0.23 1.82 1.09 -1.26 -2.56 121.20 123.74 2gw6 s ILE 116 Ca 0.18 -0.23 0.02 0.00 -1.10 0.00 0.00 60.65 59.52 2gw6 s ILE 116 Cb -0.14 -2.90 0.04 0.00 -1.06 0.00 0.00 42.46 38.41 2gw6 s ILE 116 CO 0.07 0.43 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.51 2gw6 s VAL 117 N 0.84 2.19 -0.09 2.92 1.01 0.12 -4.93 120.40 122.46 2gw6 s VAL 117 Ca 0.02 -1.34 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 2gw6 s VAL 117 Cb -0.14 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2gw6 s VAL 117 CO 0.02 0.19 0.75 -0.31 0.00 0.00 0.00 175.10 175.75 2gw6 s TYR 118 N 1.19 3.53 -0.11 5.22 2.02 -1.26 -1.18 117.35 126.76 2gw6 s TYR 118 Ca -0.03 1.26 -0.07 0.00 -0.37 0.00 0.00 57.07 57.86 2gw6 s TYR 118 Cb -0.17 -2.88 0.04 0.00 -0.40 0.00 0.00 41.96 38.55 2gw6 s TYR 118 CO -0.08 -0.01 0.27 -0.47 -1.57 0.00 0.00 175.55 173.68 2gw6 s TYR 119 N 1.20 -0.35 0.33 2.71 5.04 -0.97 -4.98 117.35 120.34 2gw6 s TYR 119 Ca 0.38 0.81 0.07 0.00 -2.44 0.00 0.00 57.07 55.89 2gw6 s TYR 119 Cb -0.18 0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.20 2gw6 s TYR 119 CO 0.17 -0.22 0.43 0.15 -1.34 0.00 0.00 175.55 174.74 2gw6 s LYS 120 N 0.97 3.04 -0.08 4.97 1.02 -1.26 -0.14 119.74 128.26 2gw6 s LYS 120 Ca -0.07 -1.07 -0.05 0.00 0.02 0.00 0.00 55.97 54.80 2gw6 s LYS 120 Cb -0.08 -2.75 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2gw6 s LYS 120 CO -0.07 0.09 0.20 -0.48 -0.92 0.00 0.00 175.35 174.17 2gw6 s LEU 121 N -4.13 0.80 0.17 3.17 2.34 -1.03 -4.93 118.68 115.08 2gw6 s LEU 121 Ca 0.44 0.42 0.05 0.00 0.06 0.00 0.00 54.13 55.10 2gw6 s LEU 121 Cb -0.09 0.63 -0.04 0.00 -0.56 0.00 0.00 46.19 46.13 2gw6 s LEU 121 CO 0.30 -0.12 0.17 0.42 -1.06 0.00 0.00 176.35 176.06 2gw6 s THR 122 N 0.80 4.64 0.00 5.48 -4.23 -1.26 -3.38 115.64 117.69 2gw6 s THR 122 Ca -0.06 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 2gw6 s THR 122 Cb -0.07 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2gw6 s THR 122 CO -0.05 -0.14 0.14 -0.67 -0.54 0.00 0.00 174.62 173.37