#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmg n HIS 2 N 0.00 0.00 -4.10 0.00 -0.00 -1.26 -4.98 115.22 104.88 2gmg n HIS 2 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 2gmg n HIS 2 Cb 0.00 -0.62 -0.16 0.00 -0.00 0.00 0.00 29.99 29.21 2gmg n HIS 2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2gmg s HIS 3 N -2.32 2.87 -0.05 4.41 4.02 -1.26 -5.12 115.29 117.85 2gmg s HIS 3 Ca -0.21 -1.75 0.02 0.00 1.02 0.00 0.00 55.06 54.14 2gmg s HIS 3 Cb 0.05 -1.93 0.01 0.00 -1.02 0.00 0.00 32.58 29.70 2gmg s HIS 3 CO 0.38 -0.81 -0.08 -1.01 1.02 0.00 0.00 174.74 174.23 2gmg s HIS 4 N 1.26 1.06 -0.07 1.40 3.76 -1.26 -5.15 115.29 116.30 2gmg s HIS 4 Ca 0.03 -0.33 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 2gmg s HIS 4 Cb -0.14 -0.82 -0.00 0.00 1.11 0.00 0.00 32.58 32.73 2gmg s HIS 4 CO -0.11 -0.20 -0.21 -1.01 -0.85 0.00 0.00 174.74 172.36 2gmg s HIS 5 N 0.64 2.12 0.18 1.40 4.02 -1.26 -5.02 115.29 117.36 2gmg s HIS 5 Ca -0.11 -0.72 0.00 0.00 1.02 0.00 0.00 55.06 55.25 2gmg s HIS 5 Cb -0.14 -1.42 0.00 0.00 -1.02 0.00 0.00 32.58 30.00 2gmg s HIS 5 CO 0.02 -0.27 0.00 0.72 1.02 0.00 0.00 174.74 176.23 2gmg n HIS 6 N 3.29 -4.33 -4.81 1.40 -0.00 -1.26 -5.01 115.22 104.51 2gmg n HIS 6 Ca -0.19 2.61 -0.33 0.00 -0.00 0.00 0.00 57.72 59.81 2gmg n HIS 6 Cb 0.52 -3.48 -0.14 0.00 -0.00 0.00 0.00 29.99 26.89 2gmg n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2gmg s HIS 7 N -0.45 2.78 0.00 4.41 3.76 -1.26 -4.67 115.29 119.86 2gmg s HIS 7 Ca 0.00 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2gmg s HIS 7 Cb 0.00 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.90 2gmg s HIS 7 CO 0.00 -0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 2gmg n GLY 8 N 3.25 1.22 0.08 -2.22 0.00 -1.26 -4.93 105.19 101.34 2gmg n GLY 8 Ca -0.18 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 2gmg n GLY 8 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2gmg h SER 9 N 0.00 0.15 0.72 1.61 0.87 -2.00 -2.96 113.55 111.93 2gmg h SER 9 Ca 0.00 -0.19 -0.20 0.00 -1.23 0.00 0.00 61.79 60.17 2gmg h SER 9 Cb 0.00 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 2gmg h SER 9 CO 0.00 1.15 -0.91 0.00 -0.53 0.00 0.00 176.83 176.54 2gmg h ALA 10 N 0.82 0.50 0.00 6.23 0.00 -1.92 -3.21 119.26 121.68 2gmg h ALA 10 Ca -0.14 -0.77 -0.17 0.00 0.00 0.00 0.00 54.91 53.84 2gmg h ALA 10 Cb 1.90 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 2gmg h ALA 10 CO 0.14 1.00 -1.05 1.79 0.00 0.00 0.00 179.25 181.12 2gmg h THR 11 N 0.06 0.88 -0.15 0.00 1.35 -1.87 -3.26 112.91 109.92 2gmg h THR 11 Ca -0.04 -2.41 -0.07 0.00 -0.55 0.00 0.00 66.41 63.35 2gmg h THR 11 Cb 1.57 2.36 -0.00 0.00 -1.73 0.00 0.00 68.15 70.34 2gmg h THR 11 CO 0.13 0.50 -0.18 0.03 -0.25 0.00 0.00 175.52 175.76 2gmg h ARG 12 N 0.00 0.38 -0.54 4.72 3.08 -1.61 -1.31 114.38 119.11 2gmg h ARG 12 Ca -0.09 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.64 2gmg h ARG 12 Cb 1.60 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 2gmg h ARG 12 CO 0.07 0.78 -0.09 0.00 -1.07 0.00 0.00 179.97 179.66 2gmg h ARG 13 N 0.01 1.01 -0.47 0.04 3.08 -1.71 -1.88 114.38 114.45 2gmg h ARG 13 Ca 0.02 -0.37 -0.10 0.00 0.07 0.00 0.00 59.98 59.60 2gmg h ARG 13 Cb 0.72 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2gmg h ARG 13 CO 0.04 1.05 -0.09 0.93 -1.07 0.00 0.00 179.97 180.83 2gmg h GLU 14 N 0.89 0.85 -0.00 0.04 5.08 -1.60 -2.71 114.58 117.13 2gmg h GLU 14 Ca 0.14 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 2gmg h GLU 14 Cb 0.66 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2gmg h GLU 14 CO 0.05 0.91 -0.33 0.87 -1.00 0.00 0.00 179.01 179.51 2gmg h LYS 15 N 0.77 0.00 -0.07 2.33 1.57 -0.80 -2.57 116.57 117.80 2gmg h LYS 15 Ca 0.13 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2gmg h LYS 15 Cb 0.59 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2gmg h LYS 15 CO 0.04 0.33 0.01 0.82 -0.57 0.00 0.00 179.45 180.08 2gmg h ILE 16 N 0.00 1.23 0.00 1.86 2.04 -1.03 -2.22 117.51 119.40 2gmg h ILE 16 Ca -0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2gmg h ILE 16 Cb 0.59 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2gmg h ILE 16 CO 0.04 0.20 0.00 2.30 0.00 0.00 0.00 178.15 180.69 2gmg n ILE 17 N -4.87 0.07 -0.12 -0.67 -6.64 -1.15 -3.02 119.36 102.97 2gmg n ILE 17 Ca -0.07 0.02 -0.19 0.00 -1.77 0.00 0.00 62.75 60.74 2gmg n ILE 17 Cb 0.18 -0.58 -0.10 0.00 -1.44 0.00 0.00 39.64 37.69 2gmg n ILE 17 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2gmg n GLU 18 N -1.13 0.57 0.10 6.28 1.02 -0.98 -4.55 120.64 121.95 2gmg n GLU 18 Ca 0.17 0.16 0.07 0.00 -0.02 0.00 0.00 57.16 57.54 2gmg n GLU 18 Cb 0.15 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2gmg n GLU 18 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2gmg h LEU 19 N -0.25 0.00 -0.00 -4.62 6.46 -1.52 -3.37 115.31 112.01 2gmg h LEU 19 Ca -0.55 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2gmg h LEU 19 Cb 1.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.67 2gmg h LEU 19 CO -0.17 0.24 -0.09 0.18 -0.62 0.00 0.00 178.44 177.98 2gmg n LEU 20 N -2.87 0.10 0.02 2.25 4.32 -1.17 -3.39 117.00 116.27 2gmg n LEU 20 Ca -0.02 0.40 0.12 0.00 -0.02 0.00 0.00 56.01 56.49 2gmg n LEU 20 Cb 0.66 -0.45 0.29 0.00 -1.62 0.00 0.00 43.42 42.31 2gmg n LEU 20 CO 0.40 0.02 0.52 0.18 -1.22 0.00 0.00 177.39 177.29 2gmg n LEU 21 N -1.49 0.48 -0.06 2.23 4.32 -1.26 -3.86 117.00 117.36 2gmg n LEU 21 Ca 0.07 0.15 -0.03 0.00 -0.02 0.00 0.00 56.01 56.18 2gmg n LEU 21 Cb 0.34 -0.27 -0.14 0.00 -1.62 0.00 0.00 43.42 41.72 2gmg n LEU 21 CO 0.28 0.05 -0.95 -0.62 -1.22 0.00 0.00 177.39 174.93 2gmg n GLU 22 N -1.67 0.99 -1.02 3.23 1.02 -1.22 -4.90 120.64 117.06 2gmg n GLU 22 Ca 0.05 -0.06 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2gmg n GLU 22 Cb 0.36 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2gmg n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gmg n GLY 23 N 1.78 1.96 3.26 0.62 0.00 -1.23 -5.17 105.19 106.40 2gmg n GLY 23 Ca -0.20 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 2gmg n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gmg s ASP 24 N -1.00 3.15 0.01 1.61 -1.08 -1.26 -4.52 116.67 113.58 2gmg s ASP 24 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 2gmg s ASP 24 Cb -0.00 -1.14 -0.01 0.00 -1.46 0.00 0.00 42.92 40.31 2gmg s ASP 24 CO 0.00 0.20 -0.03 -0.31 0.52 0.00 0.00 175.17 175.56 2gmg s TYR 25 N 0.08 0.24 0.62 -5.34 2.02 -1.26 -5.08 117.35 108.63 2gmg s TYR 25 Ca -0.11 -0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.15 2gmg s TYR 25 Cb -0.16 -0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.21 2gmg s TYR 25 CO 0.06 -0.10 1.04 -1.12 -1.57 0.00 0.00 175.55 173.86 2gmg s SER 26 N -0.89 5.91 0.27 2.29 0.01 -1.26 -4.78 113.70 115.24 2gmg s SER 26 Ca -0.09 1.61 -0.00 0.00 1.31 0.00 0.00 55.95 58.78 2gmg s SER 26 Cb -0.06 -2.50 0.55 0.00 0.21 0.00 0.00 66.02 64.21 2gmg s SER 26 CO -0.00 -1.08 1.77 -0.65 0.41 0.00 0.00 173.24 173.68 2gmg h PRO 27 N -0.03 0.63 0.00 12.44 0.11 -1.94 0.17 132.00 143.38 2gmg h PRO 27 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2gmg h PRO 27 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2gmg h PRO 27 CO 0.59 0.42 -0.30 0.77 -0.21 0.00 0.00 178.00 179.27 2gmg h SER 28 N 0.65 0.00 0.20 -2.05 0.02 -1.94 -2.59 113.55 107.84 2gmg h SER 28 Ca 0.47 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.20 2gmg h SER 28 Cb 0.66 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.21 2gmg h SER 28 CO -0.36 0.30 -0.90 -0.33 -1.14 0.00 0.00 176.83 174.40 2gmg h GLU 29 N 0.00 0.51 0.30 3.45 5.08 -1.52 -2.38 114.58 120.03 2gmg h GLU 29 Ca -0.00 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 2gmg h GLU 29 Cb 0.55 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2gmg h GLU 29 CO 0.04 1.14 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.97 2gmg h LEU 30 N 0.31 -0.35 -1.40 1.33 4.07 -0.65 -2.41 115.31 116.21 2gmg h LEU 30 Ca -0.08 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.95 2gmg h LEU 30 Cb 1.53 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.35 2gmg h LEU 30 CO 0.16 -0.19 0.61 0.00 -1.08 0.00 0.00 178.44 177.95 2gmg h ALA 31 N -1.69 1.81 -0.23 1.53 0.00 -1.59 0.10 119.26 119.18 2gmg h ALA 31 Ca -0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2gmg h ALA 31 Cb 0.31 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2gmg h ALA 31 CO 0.07 -0.70 -0.29 0.00 0.00 0.00 0.00 179.25 178.33 2gmg h ARG 32 N 0.00 0.61 -5.53 0.00 3.08 -1.18 -3.35 114.38 108.01 2gmg h ARG 32 Ca 0.08 -0.34 -0.67 0.00 0.07 0.00 0.00 59.98 59.13 2gmg h ARG 32 Cb 1.30 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 31.25 2gmg h ARG 32 CO -0.00 0.94 1.50 -1.50 -1.07 0.00 0.00 179.97 179.85 2gmg s ILE 33 N -4.26 4.37 0.10 2.04 2.07 0.36 -4.91 121.20 120.97 2gmg s ILE 33 Ca -0.13 -1.61 -0.26 0.00 -1.41 0.00 0.00 60.65 57.24 2gmg s ILE 33 Cb 0.08 -5.00 0.09 0.00 0.13 0.00 0.00 42.46 37.75 2gmg s ILE 33 CO 0.81 -1.80 1.10 -0.22 -1.91 0.00 0.00 174.94 172.92 2gmg s LEU 34 N 3.60 -0.07 0.00 8.50 0.20 -1.26 -4.93 118.68 124.73 2gmg s LEU 34 Ca 0.44 -0.40 0.25 0.00 0.69 0.00 0.00 54.13 55.12 2gmg s LEU 34 Cb -0.01 1.86 0.54 0.00 -0.43 0.00 0.00 46.19 48.15 2gmg s LEU 34 CO -0.03 -0.72 1.44 0.47 -0.29 0.00 0.00 176.35 177.22 2gmg n ASP 35 N -0.77 1.88 -4.87 3.68 8.00 -1.26 -4.96 116.55 118.25 2gmg n ASP 35 Ca -0.05 -1.49 -0.22 0.00 0.71 0.00 0.00 54.79 53.74 2gmg n ASP 35 Cb 0.61 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 2gmg n ASP 35 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2gmg s MET 36 N -2.22 3.11 0.00 -1.24 -1.94 -1.26 -5.06 119.30 110.69 2gmg s MET 36 Ca 0.28 -0.92 -0.23 0.00 -1.71 0.00 0.00 55.69 53.11 2gmg s MET 36 Cb 0.20 -2.69 -0.18 0.00 2.01 0.00 0.00 34.83 34.16 2gmg s MET 36 CO 0.42 0.42 1.24 0.00 -0.01 0.00 0.00 175.02 177.09 2gmg h ARG 37 N 1.51 0.23 0.00 2.03 3.08 -1.93 -3.47 114.38 115.83 2gmg h ARG 37 Ca -0.50 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.41 2gmg h ARG 37 Cb 1.23 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2gmg h ARG 37 CO 0.61 0.74 0.00 0.41 -1.07 0.00 0.00 179.97 180.66 2gmg n GLY 38 N 0.44 0.70 2.85 0.04 0.00 -1.26 -4.89 105.19 103.08 2gmg n GLY 38 Ca -0.08 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 2gmg n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gmg n LYS 39 N 0.00 2.94 -0.27 1.61 4.81 -1.26 -4.87 118.16 121.13 2gmg n LYS 39 Ca 0.00 -4.56 0.00 0.00 -0.87 0.00 0.00 58.31 52.88 2gmg n LYS 39 Cb 0.00 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 32.67 2gmg n LYS 39 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2gmg n GLY 40 N 1.59 -0.56 0.00 3.14 0.00 -1.26 -5.08 105.19 103.03 2gmg n GLY 40 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2gmg n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gmg n SER 41 N 0.00 1.16 0.27 1.61 7.64 -1.26 -4.76 113.62 118.28 2gmg n SER 41 Ca 0.00 -0.05 -0.11 0.00 1.01 0.00 0.00 58.87 59.71 2gmg n SER 41 Cb 0.00 0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 63.49 2gmg n SER 41 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2gmg h LYS 42 N 0.00 -0.71 0.00 1.43 1.57 -1.98 -2.03 116.57 114.84 2gmg h LYS 42 Ca 0.00 0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2gmg h LYS 42 Cb 0.00 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2gmg h LYS 42 CO 0.00 -0.47 -0.68 0.87 -0.57 0.00 0.00 179.45 178.60 2gmg h LYS 43 N -1.14 0.00 -0.42 3.15 1.57 -2.00 -3.15 116.57 114.58 2gmg h LYS 43 Ca -0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 2gmg h LYS 43 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2gmg h LYS 43 CO 0.12 0.68 -0.23 0.28 -0.57 0.00 0.00 179.45 179.73 2gmg h VAL 44 N 0.00 1.27 0.00 0.50 2.07 -1.86 -2.65 116.25 115.58 2gmg h VAL 44 Ca -0.01 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 2gmg h VAL 44 Cb 1.32 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2gmg h VAL 44 CO 0.09 0.46 -0.22 -0.29 0.02 0.00 0.00 177.57 177.63 2gmg h ILE 45 N 0.74 0.48 -0.06 4.57 6.09 -1.38 -2.86 117.51 125.09 2gmg h ILE 45 Ca 0.10 -1.25 -0.20 0.00 -1.37 0.00 0.00 64.86 62.14 2gmg h ILE 45 Cb 0.78 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.96 2gmg h ILE 45 CO 0.06 0.22 -0.81 -0.07 -3.07 0.00 0.00 178.15 174.48 2gmg h LEU 46 N 0.00 0.58 -0.34 2.19 3.38 -1.45 -3.02 115.31 116.65 2gmg h LEU 46 Ca -0.00 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 2gmg h LEU 46 Cb 0.87 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2gmg h LEU 46 CO 0.03 1.17 -0.66 -0.33 0.09 0.00 0.00 178.44 178.74 2gmg h GLU 47 N 0.30 0.00 -0.04 1.13 5.08 -1.50 -3.16 114.58 116.39 2gmg h GLU 47 Ca -0.05 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2gmg h GLU 47 Cb 1.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 2gmg h GLU 47 CO 0.14 0.66 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.11 2gmg h ASP 48 N 0.00 0.07 -0.04 1.42 3.32 -1.55 -2.56 116.42 117.07 2gmg h ASP 48 Ca -0.01 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2gmg h ASP 48 Cb 1.36 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2gmg h ASP 48 CO 0.09 0.34 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.69 2gmg h LEU 49 N 0.06 0.41 -1.06 1.55 -0.00 -1.49 -2.60 115.31 112.18 2gmg h LEU 49 Ca 0.01 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.74 2gmg h LEU 49 Cb 0.52 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 2gmg h LEU 49 CO 0.04 0.62 0.26 0.11 -0.00 0.00 0.00 178.44 179.46 2gmg h LYS 50 N 0.38 0.93 0.11 1.13 1.57 -1.49 -0.19 116.57 119.00 2gmg h LYS 50 Ca 0.07 -0.15 -0.23 0.00 -1.87 0.00 0.00 60.65 58.47 2gmg h LYS 50 Cb 0.55 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.72 2gmg h LYS 50 CO 0.04 0.75 -0.96 0.28 -0.57 0.00 0.00 179.45 178.99 2gmg h VAL 51 N 0.91 1.40 -0.07 0.50 2.07 -1.53 -3.29 116.25 116.24 2gmg h VAL 51 Ca 0.22 -2.42 -0.14 0.00 0.82 0.00 0.00 66.70 65.18 2gmg h VAL 51 Cb 0.17 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 2gmg h VAL 51 CO -0.02 0.71 -0.59 0.40 0.02 0.00 0.00 177.57 178.09 2gmg h ILE 52 N -0.06 1.38 -0.04 4.57 1.08 -1.42 -2.82 117.51 120.20 2gmg h ILE 52 Ca -0.15 -1.95 -0.02 0.00 -0.39 0.00 0.00 64.86 62.35 2gmg h ILE 52 Cb 1.70 1.98 -0.01 0.00 -3.07 0.00 0.00 36.82 37.42 2gmg h ILE 52 CO 0.18 0.57 -0.09 -1.28 -0.69 0.00 0.00 178.15 176.85 2gmg h SER 53 N 0.17 0.05 0.43 1.72 0.87 -1.12 0.17 113.55 115.84 2gmg h SER 53 Ca -0.00 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.39 2gmg h SER 53 Cb 1.08 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2gmg h SER 53 CO 0.09 0.15 -0.69 0.11 -0.53 0.00 0.00 176.83 175.96 2gmg h LYS 54 N 0.06 0.23 0.17 2.24 1.57 -1.56 -3.01 116.57 116.26 2gmg h LYS 54 Ca 0.01 -0.18 -0.35 0.00 -1.87 0.00 0.00 60.65 58.26 2gmg h LYS 54 Cb 0.20 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2gmg h LYS 54 CO 0.01 0.83 -1.80 0.82 -0.57 0.00 0.00 179.45 178.74 2gmg h ILE 55 N 0.16 0.86 0.00 1.86 2.04 -1.52 -3.20 117.51 117.70 2gmg h ILE 55 Ca -0.02 -2.46 -0.00 0.00 1.00 0.00 0.00 64.86 63.38 2gmg h ILE 55 Cb 1.23 2.70 -0.00 0.00 -0.74 0.00 0.00 36.82 40.01 2gmg h ILE 55 CO 0.11 0.87 -0.00 0.00 0.00 0.00 0.00 178.15 179.12 2gmg h ALA 56 N 0.09 1.36 0.06 1.87 0.00 -0.74 0.78 119.26 122.68 2gmg h ALA 56 Ca -0.36 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.21 2gmg h ALA 56 Cb 2.07 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 2gmg h ALA 56 CO 0.15 0.00 -1.85 1.63 0.00 0.00 0.00 179.25 179.19 2gmg n LYS 57 N -3.61 0.69 0.26 0.00 5.02 -1.14 -0.41 118.16 118.97 2gmg n LYS 57 Ca -0.03 0.28 0.16 0.00 -2.02 0.00 0.00 58.31 56.70 2gmg n LYS 57 Cb 0.08 -1.75 0.57 0.00 -0.02 0.00 0.00 35.03 33.92 2gmg n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gmg h ARG 58 N 0.03 0.00 -0.26 1.97 3.08 -1.47 -2.85 114.38 114.89 2gmg h ARG 58 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2gmg h ARG 58 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.08 2gmg h ARG 58 CO 0.08 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.37 2gmg n GLU 59 N -3.04 1.88 -2.44 0.04 1.02 0.24 -4.94 120.64 113.39 2gmg n GLU 59 Ca 0.01 -1.33 -0.18 0.00 -0.02 0.00 0.00 57.16 55.64 2gmg n GLU 59 Cb 0.35 -1.38 -0.00 0.00 -0.02 0.00 0.00 31.44 30.38 2gmg n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gmg n GLY 60 N 1.17 -0.37 3.53 0.62 0.00 -1.08 -5.02 105.19 104.05 2gmg n GLY 60 Ca 0.16 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2gmg n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gmg s MET 61 N -5.01 1.94 -0.15 1.61 1.00 0.45 -4.83 119.30 114.31 2gmg s MET 61 Ca 0.04 -1.18 0.02 0.00 0.00 0.00 0.00 55.69 54.57 2gmg s MET 61 Cb -0.02 -2.16 0.01 0.00 0.00 0.00 0.00 34.83 32.65 2gmg s MET 61 CO 0.06 0.47 -0.20 0.14 0.00 0.00 0.00 175.02 175.48 2gmg s VAL 62 N -1.35 2.19 -0.23 -6.03 -7.23 -1.26 -4.02 120.40 102.47 2gmg s VAL 62 Ca 0.21 -0.93 -0.10 0.00 -1.81 0.00 0.00 61.98 59.35 2gmg s VAL 62 Cb -0.10 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 2gmg s VAL 62 CO 0.13 0.54 0.16 -0.76 -0.31 0.00 0.00 175.10 174.85 2gmg s LEU 63 N 0.91 4.14 -0.15 1.32 1.43 -1.26 -4.15 118.68 120.91 2gmg s LEU 63 Ca -0.04 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 2gmg s LEU 63 Cb -0.15 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2gmg s LEU 63 CO -0.03 0.09 -0.02 -0.76 0.23 0.00 0.00 176.35 175.85 2gmg s LEU 64 N 0.89 3.35 -0.11 1.79 1.02 -1.25 -5.05 118.68 119.33 2gmg s LEU 64 Ca 0.08 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.16 2gmg s LEU 64 Cb -0.13 -1.81 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2gmg s LEU 64 CO 0.03 0.20 -0.11 -0.63 0.02 0.00 0.00 176.35 175.85 2gmg s ILE 65 N 0.20 3.23 0.10 -0.59 1.09 -1.26 -3.70 121.20 120.28 2gmg s ILE 65 Ca -0.01 -0.62 -0.28 0.00 -1.10 0.00 0.00 60.65 58.64 2gmg s ILE 65 Cb -0.14 -2.34 -0.06 0.00 -1.06 0.00 0.00 42.46 38.86 2gmg s ILE 65 CO 0.02 0.54 0.88 -0.54 -0.10 0.00 0.00 174.94 175.75 2gmg s LYS 66 N 0.02 4.63 -0.01 2.79 1.02 -1.00 -4.92 119.74 122.28 2gmg s LYS 66 Ca -0.03 1.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.96 2gmg s LYS 66 Cb -0.14 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 2gmg s LYS 66 CO 0.04 0.28 1.55 -2.14 -0.92 0.00 0.00 175.35 174.16 2gmg s PRO 67 N -0.18 4.22 0.35 -1.68 0.02 -1.26 -3.92 135.00 132.55 2gmg s PRO 67 Ca 0.43 2.13 -0.28 0.00 0.02 0.00 0.00 61.00 63.30 2gmg s PRO 67 Cb -0.23 -3.73 -0.10 0.00 0.02 0.00 0.00 34.50 30.47 2gmg s PRO 67 CO 0.27 -0.72 1.26 0.00 -0.33 0.00 0.00 177.00 177.49 2gmg s ALA 68 N 3.06 3.38 0.04 -1.55 0.00 -1.25 -4.90 121.76 120.54 2gmg s ALA 68 Ca 0.69 1.16 -0.00 0.00 0.00 0.00 0.00 51.96 53.81 2gmg s ALA 68 Cb -0.34 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 2gmg s ALA 68 CO 0.29 -0.60 -0.03 1.14 0.00 0.00 0.00 175.76 176.55 2gmg s GLN 69 N -1.92 0.52 -0.23 0.00 -2.07 -1.22 -1.48 119.66 113.25 2gmg s GLN 69 Ca 0.51 -1.01 -0.20 0.00 -1.82 0.00 0.00 55.36 52.84 2gmg s GLN 69 Cb -0.37 0.15 -0.02 0.00 -1.09 0.00 0.00 33.01 31.67 2gmg s GLN 69 CO 0.48 -0.08 0.61 0.00 -1.32 0.00 0.00 175.29 174.98 2gmg n ARG 71 N 5.33 1.98 -0.13 0.00 1.74 -0.33 -2.73 116.66 122.53 2gmg n ARG 71 Ca -0.02 -1.46 -0.26 0.00 -0.77 0.00 0.00 57.85 55.34 2gmg n ARG 71 Cb 0.49 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.37 2gmg n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2gmg n LYS 72 N 0.71 0.61 0.01 5.56 5.02 -1.25 -4.65 118.16 124.16 2gmg n LYS 72 Ca 0.17 0.27 0.10 0.00 -2.02 0.00 0.00 58.31 56.82 2gmg n LYS 72 Cb 0.44 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 2gmg n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gmg n GLY 74 N 1.27 3.32 3.64 0.00 0.00 -1.10 -5.06 105.19 107.26 2gmg n GLY 74 Ca -0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.50 2gmg n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2gmg n PHE 75 N -1.99 1.95 -4.26 1.61 7.35 -1.24 -4.76 117.46 116.12 2gmg n PHE 75 Ca 0.00 0.44 -0.34 0.00 -0.76 0.00 0.00 57.45 56.79 2gmg n PHE 75 Cb 0.00 -2.44 -0.12 0.00 0.35 0.00 0.00 39.48 37.26 2gmg n PHE 75 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2gmg s VAL 76 N 0.49 3.94 0.11 -2.13 -7.23 -1.26 -0.28 120.40 114.04 2gmg s VAL 76 Ca 0.78 -0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.60 2gmg s VAL 76 Cb -0.76 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.38 2gmg s VAL 76 CO 0.44 0.47 0.29 -0.36 -0.31 0.00 0.00 175.10 175.63 2gmg s PHE 77 N 0.62 3.50 0.56 2.82 0.08 -0.55 -4.96 117.98 120.04 2gmg s PHE 77 Ca -0.02 0.36 -0.20 0.00 0.12 0.00 0.00 56.93 57.19 2gmg s PHE 77 Cb -0.14 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2gmg s PHE 77 CO 0.02 0.51 1.21 0.15 -0.10 0.00 0.00 175.22 177.01 2gmg s LYS 78 N -2.71 3.19 -0.18 0.44 1.02 -1.26 -3.90 119.74 116.34 2gmg s LYS 78 Ca 0.37 1.85 -0.29 0.00 0.02 0.00 0.00 55.97 57.92 2gmg s LYS 78 Cb -0.12 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 2gmg s LYS 78 CO 0.27 -1.04 1.78 0.00 -0.92 0.00 0.00 175.35 175.44 2gmg s ALA 79 N -1.56 3.23 0.45 5.17 0.00 -1.26 -4.48 121.76 123.30 2gmg s ALA 79 Ca 0.74 0.67 0.03 0.00 0.00 0.00 0.00 51.96 53.40 2gmg s ALA 79 Cb -0.31 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 2gmg s ALA 79 CO 0.34 -2.03 0.03 -1.21 0.00 0.00 0.00 175.76 172.90 2gmg s GLU 80 N 4.93 2.03 0.00 0.00 2.02 -1.26 -5.02 118.70 121.39 2gmg s GLU 80 Ca 0.79 -2.23 0.00 0.00 0.02 0.00 0.00 54.97 53.55 2gmg s GLU 80 Cb -0.29 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.63 2gmg s GLU 80 CO 0.32 -0.29 0.00 0.44 0.02 0.00 0.00 175.26 175.75 2gmg n ILE 81 N -1.06 0.00 -1.75 -1.63 -6.64 -1.26 -4.95 119.36 102.08 2gmg n ILE 81 Ca -0.11 0.00 -0.41 0.00 -1.77 0.00 0.00 62.75 60.45 2gmg n ILE 81 Cb 0.67 -0.83 -0.00 0.00 -1.44 0.00 0.00 39.64 38.03 2gmg n ILE 81 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2gmg n ASN 82 N -1.03 3.38 -4.91 7.28 4.13 -1.26 -5.02 115.26 117.83 2gmg n ASN 82 Ca 0.00 1.21 -0.32 0.00 1.68 0.00 0.00 54.58 57.15 2gmg n ASN 82 Cb 0.00 -1.57 -0.05 0.00 -1.54 0.00 0.00 39.78 36.62 2gmg n ASN 82 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2gmg s ILE 83 N -1.12 5.36 0.53 2.41 1.10 -1.26 -5.12 121.20 123.10 2gmg s ILE 83 Ca 0.55 -0.18 -0.15 0.00 -0.51 0.00 0.00 60.65 60.36 2gmg s ILE 83 Cb -0.50 -3.59 -0.07 0.00 0.15 0.00 0.00 42.46 38.44 2gmg s ILE 83 CO 0.63 0.22 0.98 -2.84 -2.11 0.00 0.00 174.94 171.81 2gmg s PRO 84 N -2.23 3.87 0.02 3.50 0.02 -1.26 -5.01 135.00 133.90 2gmg s PRO 84 Ca 0.32 0.88 0.22 0.00 0.02 0.00 0.00 61.00 62.44 2gmg s PRO 84 Cb -0.13 -2.14 -0.25 0.00 0.02 0.00 0.00 34.50 32.00 2gmg s PRO 84 CO 0.23 -0.31 0.60 0.43 -0.33 0.00 0.00 177.00 177.61 2gmg n SER 85 N -1.79 0.22 -3.75 2.53 7.64 -1.26 -4.99 113.62 112.22 2gmg n SER 85 Ca 0.06 0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.90 2gmg n SER 85 Cb 0.54 1.52 -0.10 0.00 -1.01 0.00 0.00 64.21 65.17 2gmg n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gmg s ARG 86 N -3.40 0.54 0.05 1.43 1.70 -1.26 -4.95 118.95 113.06 2gmg s ARG 86 Ca -0.06 0.18 -0.31 0.00 -0.47 0.00 0.00 55.73 55.07 2gmg s ARG 86 Cb 0.12 0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 2gmg s ARG 86 CO 0.87 -0.11 1.34 0.00 -1.08 0.00 0.00 175.30 176.32 2gmg h PRO 88 N 7.21 0.00 0.00 0.00 0.13 -2.01 -3.35 132.00 133.98 2gmg h PRO 88 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2gmg h PRO 88 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2gmg h PRO 88 CO 0.87 0.03 -0.54 0.87 -0.23 0.00 0.00 178.00 179.00 2gmg h LYS 89 N 0.00 0.00 0.00 0.86 1.57 -2.08 -3.49 116.57 113.43 2gmg h LYS 89 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gmg h LYS 89 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2gmg h LYS 89 CO 0.00 0.86 0.00 0.00 -0.57 0.00 0.00 179.45 179.74 2gmg s LYS 91 N 1.19 0.40 -0.02 0.00 1.02 -1.26 -4.58 119.74 116.48 2gmg s LYS 91 Ca 0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 55.97 55.43 2gmg s LYS 91 Cb 0.00 -0.17 0.01 0.00 -0.52 0.00 0.00 37.83 37.15 2gmg s LYS 91 CO 0.00 0.03 0.06 0.45 -0.92 0.00 0.00 175.35 174.96 2gmg s SER 92 N -1.15 -0.03 0.03 2.83 0.15 -1.26 -4.74 113.70 109.53 2gmg s SER 92 Ca -0.09 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2gmg s SER 92 Cb -0.08 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2gmg s SER 92 CO -0.00 -0.05 0.00 -0.62 1.20 0.00 0.00 173.24 173.76 2gmg n GLU 93 N 3.41 0.00 -3.39 5.44 1.02 -1.26 -4.74 120.64 121.12 2gmg n GLU 93 Ca -0.17 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.52 2gmg n GLU 93 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.94 2gmg n GLU 93 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2gmg s TRP 94 N -2.00 3.55 0.06 -0.32 0.52 -1.26 -5.05 118.94 114.44 2gmg s TRP 94 Ca 0.00 -1.87 0.07 0.00 0.02 0.00 0.00 56.10 54.32 2gmg s TRP 94 Cb 0.00 -3.71 -0.03 0.00 -1.15 0.00 0.00 33.47 28.58 2gmg s TRP 94 CO 0.00 -0.98 -0.19 0.96 0.02 0.00 0.00 176.95 176.76 2gmg s ILE 95 N 0.67 1.50 -0.08 2.03 -4.36 -1.26 -1.18 121.20 118.51 2gmg s ILE 95 Ca 0.12 -1.27 -0.20 0.00 -0.26 0.00 0.00 60.65 59.05 2gmg s ILE 95 Cb -0.19 -1.34 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 2gmg s ILE 95 CO -0.04 0.04 0.54 -1.61 0.24 0.00 0.00 174.94 174.11 2gmg s GLU 96 N -1.44 4.34 0.24 0.37 2.02 0.14 -4.96 118.70 119.41 2gmg s GLU 96 Ca 0.05 0.59 -0.30 0.00 0.02 0.00 0.00 54.97 55.33 2gmg s GLU 96 Cb -0.09 -3.41 -0.09 0.00 0.10 0.00 0.00 34.13 30.64 2gmg s GLU 96 CO 0.02 0.20 0.93 -1.21 0.02 0.00 0.00 175.26 175.23 2gmg s GLU 97 N 0.44 4.83 0.81 1.61 2.02 -1.26 -3.46 118.70 123.69 2gmg s GLU 97 Ca 0.29 1.46 -0.12 0.00 0.02 0.00 0.00 54.97 56.62 2gmg s GLU 97 Cb -0.16 -3.25 0.09 0.00 0.10 0.00 0.00 34.13 30.91 2gmg s GLU 97 CO 0.13 0.51 1.16 -1.25 0.02 0.00 0.00 175.26 175.83 2gmg s PRO 98 N -1.24 1.68 -0.11 0.39 0.04 -1.26 -4.88 135.00 129.62 2gmg s PRO 98 Ca 0.41 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.02 2gmg s PRO 98 Cb -0.25 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2gmg s PRO 98 CO 0.31 -2.15 -0.05 1.03 0.04 0.00 0.00 177.00 176.18 2gmg s ARG 99 N -4.38 3.15 -0.13 4.56 0.52 -1.25 -4.93 118.95 116.49 2gmg s ARG 99 Ca 0.69 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 2gmg s ARG 99 Cb -0.25 -2.73 -0.00 0.00 0.52 0.00 0.00 34.95 32.49 2gmg s ARG 99 CO 0.52 0.49 -0.18 -0.06 0.02 0.00 0.00 175.30 176.09 2gmg s PHE 100 N -0.33 2.71 0.04 -0.53 0.40 -1.26 -2.38 117.98 116.63 2gmg s PHE 100 Ca 0.05 -1.02 -0.02 0.00 -0.60 0.00 0.00 56.93 55.34 2gmg s PHE 100 Cb -0.12 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.56 2gmg s PHE 100 CO 0.02 -0.43 0.01 0.21 0.70 0.00 0.00 175.22 175.73 2gmg s LYS 101 N 0.59 0.56 -0.04 0.44 2.20 -1.24 -4.63 119.74 117.61 2gmg s LYS 101 Ca -0.10 -0.99 0.05 0.00 -0.36 0.00 0.00 55.97 54.57 2gmg s LYS 101 Cb -0.16 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.35 2gmg s LYS 101 CO 0.03 -0.11 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.20 2gmg s LEU 102 N -2.46 1.97 -0.08 5.43 1.02 -1.26 -3.75 118.68 119.56 2gmg s LEU 102 Ca -0.00 -0.39 0.05 0.00 0.02 0.00 0.00 54.13 53.81 2gmg s LEU 102 Cb 0.02 -1.07 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 2gmg s LEU 102 CO -0.07 0.19 -0.24 -1.83 0.02 0.00 0.00 176.35 174.42 2gmg s GLU 103 N -0.11 2.77 -0.25 1.70 -1.05 -1.26 -4.77 118.70 115.73 2gmg s GLU 103 Ca -0.01 -0.88 -0.09 0.00 -0.15 0.00 0.00 54.97 53.84 2gmg s GLU 103 Cb -0.11 -2.24 -0.04 0.00 -0.44 0.00 0.00 34.13 31.30 2gmg s GLU 103 CO 0.02 0.31 0.12 1.03 0.95 0.00 0.00 175.26 177.69 2gmg s ARG 104 N 0.03 3.85 0.00 -4.83 0.52 -1.26 -4.45 118.95 112.81 2gmg s ARG 104 Ca -0.09 -0.38 0.09 0.00 -0.52 0.00 0.00 55.73 54.83 2gmg s ARG 104 Cb -0.15 -3.46 0.07 0.00 0.52 0.00 0.00 34.95 31.93 2gmg s ARG 104 CO 0.06 -0.10 0.79 1.63 0.02 0.00 0.00 175.30 177.70