#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 -4.74 0.00 -0.00 -1.26 -5.00 115.22 104.22 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 -0.60 -0.13 0.00 -0.00 0.00 0.00 29.99 29.26 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 -2.30 2.83 0.01 4.41 0.09 -1.26 -5.13 115.29 113.94 2gmg s HIS 3 Ca -0.09 -0.31 0.06 0.00 -0.00 0.00 0.00 55.06 54.71 2gmg s HIS 3 Cb 0.04 -1.76 -0.03 0.00 -0.00 0.00 0.00 32.58 30.83 2gmg s HIS 3 CO 0.47 0.04 -0.15 -1.01 -0.00 0.00 0.00 174.74 174.09 2gmg s HIS 4 N -0.22 2.64 -0.20 1.40 4.02 -1.26 -5.13 115.29 116.54 2gmg s HIS 4 Ca 0.02 -0.20 -0.09 0.00 1.02 0.00 0.00 55.06 55.80 2gmg s HIS 4 Cb -0.13 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.58 29.86 2gmg s HIS 4 CO 0.03 0.25 0.11 -1.01 1.02 0.00 0.00 174.74 175.14 2gmg s HIS 5 N -0.89 3.36 0.06 1.40 0.09 -1.26 -5.11 115.29 112.95 2gmg s HIS 5 Ca 0.14 0.25 0.07 0.00 -0.00 0.00 0.00 55.06 55.53 2gmg s HIS 5 Cb -0.11 -2.14 -0.04 0.00 -0.00 0.00 0.00 32.58 30.30 2gmg s HIS 5 CO 0.05 0.24 -0.16 -1.01 -0.00 0.00 0.00 174.74 173.86 2gmg s HIS 6 N 0.38 2.61 -0.16 1.40 4.02 -1.26 -5.13 115.29 117.15 2gmg s HIS 6 Ca 0.07 -0.23 -0.14 0.00 1.02 0.00 0.00 55.06 55.78 2gmg s HIS 6 Cb -0.11 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.58 29.96 2gmg s HIS 6 CO -0.01 0.32 0.29 -1.58 1.02 0.00 0.00 174.74 174.78 2gmg s HIS 7 N -1.02 3.46 0.00 1.40 5.65 -1.26 -4.97 115.29 118.55 2gmg s HIS 7 Ca 0.17 0.60 0.00 0.00 0.25 0.00 0.00 55.06 56.07 2gmg s HIS 7 Cb -0.11 -2.34 0.00 0.00 -1.18 0.00 0.00 32.58 28.95 2gmg s HIS 7 CO 0.08 0.24 0.00 0.41 -0.65 0.00 0.00 174.74 174.82 2gmg n GLY 8 N 3.38 1.85 0.13 1.59 0.00 -1.26 -5.01 105.19 105.87 2gmg n GLY 8 Ca -0.12 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.19 2gmg n GLY 8 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gmg h SER 9 N 0.00 0.00 1.19 1.61 0.02 -2.01 -3.29 113.55 111.07 2gmg h SER 9 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2gmg h SER 9 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2gmg h SER 9 CO 0.00 0.41 -0.46 0.00 -1.14 0.00 0.00 176.83 175.64 2gmg h ALA 10 N 1.59 0.80 0.19 3.77 0.00 -2.00 -3.17 119.26 120.43 2gmg h ALA 10 Ca -0.06 -0.42 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 2gmg h ALA 10 Cb 1.37 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.10 2gmg h ALA 10 CO 0.04 0.58 -1.45 1.79 0.00 0.00 0.00 179.25 180.21 2gmg h THR 11 N 0.00 1.29 -0.69 0.00 1.35 -1.95 -2.72 112.91 110.18 2gmg h THR 11 Ca -0.00 -2.81 -0.04 0.00 -0.55 0.00 0.00 66.41 63.01 2gmg h THR 11 Cb 1.18 2.95 -0.03 0.00 -1.73 0.00 0.00 68.15 70.52 2gmg h THR 11 CO 0.06 0.84 0.29 0.03 -0.25 0.00 0.00 175.52 176.49 2gmg h ARG 12 N 0.11 1.02 -0.23 4.72 3.08 -1.63 0.10 114.38 121.55 2gmg h ARG 12 Ca -0.23 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.51 2gmg h ARG 12 Cb 2.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.95 2gmg h ARG 12 CO 0.23 0.82 -0.48 0.00 -1.07 0.00 0.00 179.97 179.47 2gmg h ARG 13 N 1.00 0.62 -0.30 0.04 3.08 -1.65 -2.89 114.38 114.29 2gmg h ARG 13 Ca 0.24 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 2gmg h ARG 13 Cb 0.17 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2gmg h ARG 13 CO -0.02 0.97 -0.11 0.93 -1.07 0.00 0.00 179.97 180.67 2gmg h GLU 14 N 0.49 0.50 -0.04 0.04 5.08 -1.09 -2.70 114.58 116.86 2gmg h GLU 14 Ca 0.03 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2gmg h GLU 14 Cb 1.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2gmg h GLU 14 CO 0.10 0.61 -0.35 0.87 -1.00 0.00 0.00 179.01 179.24 2gmg h LYS 15 N 0.47 0.09 -0.10 2.33 1.57 -0.62 -2.61 116.57 117.70 2gmg h LYS 15 Ca 0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2gmg h LYS 15 Cb 0.47 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2gmg h LYS 15 CO 0.03 0.43 -0.01 0.82 -0.57 0.00 0.00 179.45 180.15 2gmg h ILE 16 N 0.08 1.26 0.00 1.86 2.04 -1.28 -2.42 117.51 119.05 2gmg h ILE 16 Ca 0.01 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2gmg h ILE 16 Cb 0.66 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2gmg h ILE 16 CO 0.05 0.24 0.00 2.30 0.00 0.00 0.00 178.15 180.74 2gmg n ILE 17 N -4.80 0.03 -0.12 -0.67 -6.64 -1.16 -2.70 119.36 103.30 2gmg n ILE 17 Ca -0.06 0.01 -0.19 0.00 -1.77 0.00 0.00 62.75 60.74 2gmg n ILE 17 Cb 0.21 -0.58 -0.10 0.00 -1.44 0.00 0.00 39.64 37.73 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 -1.05 0.55 0.04 6.28 1.02 -0.99 -4.53 120.64 121.96 2gmg n GLU 18 Ca 0.19 0.16 -0.00 0.00 -0.02 0.00 0.00 57.16 57.49 2gmg n GLU 18 Cb 0.11 -1.43 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.26 0.00 0.00 -4.62 6.46 -1.53 -3.37 115.31 111.98 2gmg h LEU 19 Ca -0.54 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2gmg h LEU 19 Cb 1.72 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.65 2gmg h LEU 19 CO -0.17 0.59 0.00 -0.11 -0.62 0.00 0.00 178.44 178.14 2gmg n LEU 20 N -2.94 0.00 0.02 2.25 7.94 -1.10 -2.85 117.00 120.33 2gmg n LEU 20 Ca -0.09 0.48 0.12 0.00 -1.11 0.00 0.00 56.01 55.42 2gmg n LEU 20 Cb 0.84 -0.48 0.29 0.00 0.53 0.00 0.00 43.42 44.60 2gmg n LEU 20 CO 0.43 -0.04 0.52 0.18 -1.11 0.00 0.00 177.39 177.37 2gmg n LEU 21 N -1.48 0.49 -0.05 -1.96 4.77 -1.26 -3.90 117.00 113.61 2gmg n LEU 21 Ca 0.07 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 2gmg n LEU 21 Cb 0.31 -0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 2gmg n LEU 21 CO 0.25 0.04 -0.90 -0.62 -1.33 0.00 0.00 177.39 174.82 2gmg n GLU 22 N -1.71 1.04 -0.54 3.23 1.02 -1.13 -4.96 120.64 117.59 2gmg n GLU 22 Ca 0.05 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2gmg n GLU 22 Cb 0.37 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 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 1.81 2.38 3.24 0.62 0.00 -1.19 -5.17 105.19 106.89 2gmg n GLY 23 Ca -0.17 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 2gmg n GLY 23 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gmg s ASP 24 N 0.48 2.96 -0.00 1.61 -4.77 -1.26 -4.48 116.67 111.22 2gmg s ASP 24 Ca 0.00 -0.51 -0.01 0.00 -3.30 0.00 0.00 52.55 48.73 2gmg s ASP 24 Cb 0.00 -0.98 -0.00 0.00 -1.09 0.00 0.00 42.92 40.85 2gmg s ASP 24 CO 0.00 0.21 0.03 -0.31 0.70 0.00 0.00 175.17 175.79 2gmg s TYR 25 N 0.01 0.04 0.66 2.11 2.02 -1.26 -5.08 117.35 115.84 2gmg s TYR 25 Ca -0.08 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 2gmg s TYR 25 Cb -0.15 -0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.36 2gmg s TYR 25 CO 0.05 -0.08 1.04 -1.12 -1.57 0.00 0.00 175.55 173.88 2gmg s SER 26 N -0.42 5.81 0.23 2.29 0.01 -1.26 -4.71 113.70 115.64 2gmg s SER 26 Ca -0.05 1.53 -0.06 0.00 1.31 0.00 0.00 55.95 58.68 2gmg s SER 26 Cb -0.03 -2.48 0.41 0.00 0.21 0.00 0.00 66.02 64.12 2gmg s SER 26 CO -0.00 -1.15 1.71 1.55 0.41 0.00 0.00 173.24 175.75 2gmg h PRO 27 N -0.49 0.33 -0.13 12.44 0.13 -1.93 0.26 132.00 142.61 2gmg h PRO 27 Ca -0.44 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2gmg h PRO 27 Cb 1.20 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2gmg h PRO 27 CO 0.59 0.22 0.00 0.77 -0.23 0.00 0.00 178.00 179.35 2gmg h SER 28 N 0.34 0.16 0.17 1.44 0.02 -1.94 -2.38 113.55 111.35 2gmg h SER 28 Ca 0.38 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 61.11 2gmg h SER 28 Cb 0.60 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2gmg h SER 28 CO -0.43 0.19 -0.84 -0.33 -1.14 0.00 0.00 176.83 174.27 2gmg h GLU 29 N 0.17 0.52 0.00 3.45 5.08 -1.58 -2.04 114.58 120.19 2gmg h GLU 29 Ca 0.04 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2gmg h GLU 29 Cb 0.12 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2gmg h GLU 29 CO 0.00 1.11 0.00 1.28 -1.00 0.00 0.00 179.01 180.40 2gmg n LEU 30 N -3.83 0.00 -0.08 1.33 4.77 0.78 -1.08 117.00 118.89 2gmg n LEU 30 Ca -0.06 0.09 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 2gmg n LEU 30 Cb 0.78 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.64 2gmg n LEU 30 CO 0.51 -0.04 -1.02 0.00 -1.33 0.00 0.00 177.39 175.51 2gmg n ALA 31 N -1.09 1.69 -0.12 -1.18 0.00 -0.94 -4.47 120.51 114.41 2gmg n ALA 31 Ca 0.11 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.41 2gmg n ALA 31 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 2gmg n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gmg h ARG 32 N 0.00 0.56 -5.57 0.00 3.08 -0.39 -3.34 114.38 108.72 2gmg h ARG 32 Ca -0.41 -0.14 -0.67 0.00 0.07 0.00 0.00 59.98 58.83 2gmg h ARG 32 Cb 1.92 -0.07 -0.12 0.00 0.08 0.00 0.00 29.97 31.78 2gmg h ARG 32 CO 0.02 0.62 1.60 -1.50 -1.07 0.00 0.00 179.97 179.64 2gmg s ILE 33 N -5.27 4.34 0.00 2.04 2.07 -0.98 -4.05 121.20 119.35 2gmg s ILE 33 Ca -0.13 -1.66 0.00 0.00 -1.41 0.00 0.00 60.65 57.44 2gmg s ILE 33 Cb 0.09 -5.03 0.00 0.00 0.13 0.00 0.00 42.46 37.65 2gmg s ILE 33 CO 0.76 -1.83 0.00 -0.11 -1.91 0.00 0.00 174.94 171.84 2gmg n LEU 34 N 7.69 0.00 -2.34 8.50 7.94 -1.25 -4.92 117.00 132.62 2gmg n LEU 34 Ca 0.38 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.07 2gmg n LEU 34 Cb 0.47 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.41 2gmg n LEU 34 CO 0.66 0.00 -0.25 0.47 -1.11 0.00 0.00 177.39 177.16 2gmg n ASP 35 N -0.08 -5.74 -4.11 1.96 8.00 -1.26 -5.01 116.55 110.32 2gmg n ASP 35 Ca 0.00 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.33 2gmg n ASP 35 Cb 0.00 -4.81 -0.14 0.00 -0.02 0.00 0.00 41.12 36.15 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 -4.95 1.00 -0.11 -1.24 -1.94 -1.26 -5.15 119.30 105.66 2gmg s MET 36 Ca 0.00 -0.59 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 2gmg s MET 36 Cb 0.00 -0.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.83 2gmg s MET 36 CO 0.00 0.26 -0.08 1.03 -0.01 0.00 0.00 175.02 176.22 2gmg s ARG 37 N -0.65 3.19 0.00 2.03 0.52 -1.26 -4.94 118.95 117.83 2gmg s ARG 37 Ca 0.04 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 2gmg s ARG 37 Cb -0.06 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.71 2gmg s ARG 37 CO 0.00 0.42 0.00 0.41 0.02 0.00 0.00 175.30 176.15 2gmg n GLY 38 N 2.95 1.49 3.52 -3.53 0.00 -1.26 -5.15 105.19 103.21 2gmg n GLY 38 Ca -0.18 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2gmg n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gmg s LYS 39 N -2.00 3.55 0.00 1.61 1.02 -1.26 -4.90 119.74 117.76 2gmg s LYS 39 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2gmg s LYS 39 Cb 0.00 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2gmg s LYS 39 CO 0.00 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.15 2gmg n GLY 40 N 3.31 0.51 0.00 -3.33 0.00 -1.26 -5.09 105.19 99.34 2gmg n GLY 40 Ca -0.17 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2gmg n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gmg n SER 41 N 0.00 0.93 0.07 1.61 3.41 -1.26 -4.82 113.62 113.57 2gmg n SER 41 Ca 0.00 -0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2gmg n SER 41 Cb 0.00 0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.06 2gmg n SER 41 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2gmg h LYS 42 N 0.00 -0.24 -0.01 4.33 1.57 -1.99 -2.53 116.57 117.70 2gmg h LYS 42 Ca 0.00 0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 2gmg h LYS 42 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2gmg h LYS 42 CO 0.00 0.17 -0.80 0.87 -0.57 0.00 0.00 179.45 179.12 2gmg h LYS 43 N -0.80 0.17 -0.42 3.15 1.57 -2.00 -2.92 116.57 115.32 2gmg h LYS 43 Ca -0.03 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 2gmg h LYS 43 Cb 0.52 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2gmg h LYS 43 CO 0.04 0.88 -0.21 0.28 -0.57 0.00 0.00 179.45 179.87 2gmg h VAL 44 N 0.10 1.27 0.00 0.50 2.07 -1.88 -2.55 116.25 115.77 2gmg h VAL 44 Ca -0.03 -1.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2gmg h VAL 44 Cb 1.40 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2gmg h VAL 44 CO 0.12 0.45 -0.36 -0.29 0.02 0.00 0.00 177.57 177.51 2gmg h ILE 45 N 0.74 0.76 -0.14 4.57 6.09 -1.44 -2.87 117.51 125.21 2gmg h ILE 45 Ca 0.10 -1.60 -0.19 0.00 -1.37 0.00 0.00 64.86 61.79 2gmg h ILE 45 Cb 0.75 2.03 0.00 0.00 0.47 0.00 0.00 36.82 40.07 2gmg h ILE 45 CO 0.06 0.36 -0.70 -0.07 -3.07 0.00 0.00 178.15 174.73 2gmg h LEU 46 N 0.00 0.70 -0.38 2.19 3.38 -1.30 -2.82 115.31 117.08 2gmg h LEU 46 Ca -0.00 -0.44 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2gmg h LEU 46 Cb 1.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2gmg h LEU 46 CO 0.05 1.20 -0.64 -0.33 0.09 0.00 0.00 178.44 178.80 2gmg h GLU 47 N 0.43 0.00 -0.04 1.13 5.08 -1.50 -3.06 114.58 116.61 2gmg h GLU 47 Ca -0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2gmg h GLU 47 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2gmg h GLU 47 CO 0.13 0.64 -0.34 -0.44 -1.00 0.00 0.00 179.01 178.01 2gmg h ASP 48 N 0.00 0.08 0.06 1.42 3.32 -1.53 -2.72 116.42 117.05 2gmg h ASP 48 Ca -0.01 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2gmg h ASP 48 Cb 1.32 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 2gmg h ASP 48 CO 0.08 0.42 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.66 2gmg h LEU 49 N 0.08 0.36 -1.03 1.55 3.38 -1.40 -2.52 115.31 115.73 2gmg h LEU 49 Ca 0.01 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2gmg h LEU 49 Cb 0.63 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2gmg h LEU 49 CO 0.05 0.65 0.07 0.11 0.09 0.00 0.00 178.44 179.40 2gmg h LYS 50 N 0.32 0.76 0.01 1.13 1.57 -1.45 -0.37 116.57 118.53 2gmg h LYS 50 Ca 0.04 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 2gmg h LYS 50 Cb 0.68 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.89 2gmg h LYS 50 CO 0.05 0.73 -0.61 0.28 -0.57 0.00 0.00 179.45 179.32 2gmg h VAL 51 N 0.73 1.44 -0.11 0.50 2.07 -1.47 -3.29 116.25 116.11 2gmg h VAL 51 Ca 0.15 -2.11 -0.13 0.00 0.82 0.00 0.00 66.70 65.43 2gmg h VAL 51 Cb 0.35 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2gmg h VAL 51 CO 0.01 0.61 -0.52 0.40 0.02 0.00 0.00 177.57 178.09 2gmg h ILE 52 N -0.13 1.35 -0.05 4.57 1.08 -1.39 -2.93 117.51 120.01 2gmg h ILE 52 Ca -0.08 -1.78 -0.02 0.00 -0.39 0.00 0.00 64.86 62.59 2gmg h ILE 52 Cb 1.33 1.83 -0.00 0.00 -3.07 0.00 0.00 36.82 36.91 2gmg h ILE 52 CO 0.12 0.53 -0.06 0.28 -0.69 0.00 0.00 178.15 178.34 2gmg h SER 53 N 0.25 0.06 0.36 1.72 0.02 -1.15 0.21 113.55 115.02 2gmg h SER 53 Ca 0.01 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2gmg h SER 53 Cb 1.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2gmg h SER 53 CO 0.08 0.13 -0.65 0.11 -1.14 0.00 0.00 176.83 175.36 2gmg h LYS 54 N 0.07 0.27 0.17 3.45 1.57 -1.58 -3.02 116.57 117.50 2gmg h LYS 54 Ca 0.02 -0.20 -0.35 0.00 -1.87 0.00 0.00 60.65 58.24 2gmg h LYS 54 Cb 0.15 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2gmg h LYS 54 CO 0.01 0.83 -1.79 0.82 -0.57 0.00 0.00 179.45 178.75 2gmg h ILE 55 N 0.19 0.89 -0.00 1.86 2.04 -1.52 -3.22 117.51 117.75 2gmg h ILE 55 Ca -0.01 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.35 2gmg h ILE 55 Cb 1.18 2.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2gmg h ILE 55 CO 0.10 0.86 0.00 0.00 0.00 0.00 0.00 178.15 179.12 2gmg h ALA 56 N 0.13 1.42 0.06 1.87 0.00 -0.64 0.81 119.26 122.92 2gmg h ALA 56 Ca -0.36 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.23 2gmg h ALA 56 Cb 2.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2gmg h ALA 56 CO 0.16 -0.00 -1.80 0.87 0.00 0.00 0.00 179.25 178.48 2gmg h LYS 57 N 0.00 0.13 0.00 0.00 1.57 -1.65 0.15 116.57 116.77 2gmg h LYS 57 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2gmg h LYS 57 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2gmg h LYS 57 CO -0.00 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 2gmg h ARG 58 N 0.04 0.00 -0.24 3.15 3.08 -1.48 -2.78 114.38 116.15 2gmg h ARG 58 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2gmg h ARG 58 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2gmg h ARG 58 CO 0.09 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.38 2gmg n GLU 59 N -2.97 1.83 -2.49 0.04 1.02 0.25 -4.94 120.64 113.38 2gmg n GLU 59 Ca 0.02 -1.26 -0.18 0.00 -0.02 0.00 0.00 57.16 55.71 2gmg n GLU 59 Cb 0.34 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 1.15 -0.37 3.51 0.62 0.00 -1.05 -5.02 105.19 104.03 2gmg n GLY 60 Ca 0.16 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.06 1.94 -0.16 1.61 1.00 0.51 -4.79 119.30 114.36 2gmg s MET 61 Ca 0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 55.69 54.66 2gmg s MET 61 Cb -0.03 -2.18 -0.00 0.00 0.00 0.00 0.00 34.83 32.61 2gmg s MET 61 CO 0.08 0.50 -0.13 0.14 0.00 0.00 0.00 175.02 175.61 2gmg s VAL 62 N -1.11 2.84 -0.23 -6.03 -7.23 -1.26 -3.96 120.40 103.43 2gmg s VAL 62 Ca 0.18 -0.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 2gmg s VAL 62 Cb -0.11 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 2gmg s VAL 62 CO 0.10 0.50 0.17 -0.76 -0.31 0.00 0.00 175.10 174.80 2gmg s LEU 63 N 0.87 4.14 -0.15 1.32 1.43 -1.26 -3.63 118.68 121.41 2gmg s LEU 63 Ca -0.04 0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2gmg s LEU 63 Cb -0.15 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2gmg s LEU 63 CO -0.00 0.09 -0.08 -0.76 0.23 0.00 0.00 176.35 175.83 2gmg s LEU 64 N 0.88 3.02 -0.11 1.79 1.43 -1.12 -5.05 118.68 119.53 2gmg s LEU 64 Ca 0.08 -0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2gmg s LEU 64 Cb -0.13 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2gmg s LEU 64 CO 0.03 0.16 -0.09 -0.63 0.23 0.00 0.00 176.35 176.06 2gmg s ILE 65 N 0.38 3.51 0.10 -0.59 1.09 -1.26 -2.72 121.20 121.70 2gmg s ILE 65 Ca -0.07 -0.52 -0.30 0.00 -1.10 0.00 0.00 60.65 58.66 2gmg s ILE 65 Cb -0.15 -2.47 -0.06 0.00 -1.06 0.00 0.00 42.46 38.73 2gmg s ILE 65 CO 0.04 0.55 1.01 -0.54 -0.10 0.00 0.00 174.94 175.90 2gmg s LYS 66 N -0.18 4.63 0.01 2.79 1.02 -0.23 -4.90 119.74 122.88 2gmg s LYS 66 Ca 0.02 1.53 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 2gmg s LYS 66 Cb -0.13 -3.37 -0.07 0.00 -0.52 0.00 0.00 37.83 33.74 2gmg s LYS 66 CO 0.03 0.10 1.62 -1.25 -0.92 0.00 0.00 175.35 174.93 2gmg s PRO 67 N 0.20 4.20 0.34 -1.68 0.04 -1.26 -3.79 135.00 133.04 2gmg s PRO 67 Ca 0.49 2.22 -0.28 0.00 0.04 0.00 0.00 61.00 63.48 2gmg s PRO 67 Cb -0.25 -3.77 -0.10 0.00 0.04 0.00 0.00 34.50 30.43 2gmg s PRO 67 CO 0.30 -0.76 1.23 0.00 0.04 0.00 0.00 177.00 177.82 2gmg s ALA 68 N 3.23 3.38 0.05 8.56 0.00 -1.24 -4.90 121.76 130.85 2gmg s ALA 68 Ca 0.72 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.80 2gmg s ALA 68 Cb -0.36 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 2gmg s ALA 68 CO 0.30 -0.53 -0.04 1.14 0.00 0.00 0.00 175.76 176.63 2gmg s GLN 69 N -1.86 0.60 -0.19 0.00 -2.07 -1.24 -0.89 119.66 114.00 2gmg s GLN 69 Ca 0.50 -1.12 -0.21 0.00 -1.82 0.00 0.00 55.36 52.71 2gmg s GLN 69 Cb -0.36 0.09 -0.02 0.00 -1.09 0.00 0.00 33.01 31.62 2gmg s GLN 69 CO 0.47 -0.07 0.64 0.00 -1.32 0.00 0.00 175.29 175.00 2gmg n ARG 71 N 5.02 0.04 -0.10 0.00 1.74 -1.18 -2.45 116.66 119.73 2gmg n ARG 71 Ca -0.01 0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 2gmg n ARG 71 Cb 0.50 -1.53 -0.12 0.00 -1.02 0.00 0.00 32.46 30.29 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 -1.59 0.61 0.03 5.56 5.02 -1.26 -4.54 118.16 121.99 2gmg n LYS 72 Ca 0.06 0.42 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 2gmg n LYS 72 Cb 0.35 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 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 1.26 2.44 3.66 0.00 0.00 -1.03 -5.04 105.19 106.48 2gmg n GLY 74 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 2.05 -4.24 1.61 7.35 -1.25 -4.74 117.46 116.25 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 -2.45 -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 0.16 4.03 0.05 -2.13 -7.23 -1.26 -0.19 120.40 113.83 2gmg s VAL 76 Ca 0.72 -0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 60.59 2gmg s VAL 76 Cb -0.70 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2gmg s VAL 76 CO 0.47 0.47 0.20 -0.36 -0.31 0.00 0.00 175.10 175.57 2gmg s PHE 77 N 0.58 3.51 0.54 2.82 0.40 -0.07 -4.97 117.98 120.79 2gmg s PHE 77 Ca -0.01 0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 56.37 2gmg s PHE 77 Cb -0.14 -1.76 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 2gmg s PHE 77 CO 0.02 0.59 1.21 0.15 0.70 0.00 0.00 175.22 177.89 2gmg s LYS 78 N -2.44 3.28 -0.05 0.44 1.02 -1.26 -3.66 119.74 117.06 2gmg s LYS 78 Ca 0.34 1.84 -0.30 0.00 0.02 0.00 0.00 55.97 57.87 2gmg s LYS 78 Cb -0.13 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2gmg s LYS 78 CO 0.27 -0.97 1.61 0.00 -0.92 0.00 0.00 175.35 175.35 2gmg s ALA 79 N -1.56 3.62 0.44 5.17 0.00 -1.26 -4.54 121.76 123.63 2gmg s ALA 79 Ca 0.72 0.92 0.03 0.00 0.00 0.00 0.00 51.96 53.63 2gmg s ALA 79 Cb -0.30 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 2gmg s ALA 79 CO 0.35 -1.34 0.08 -1.21 0.00 0.00 0.00 175.76 173.64 2gmg s GLU 80 N 3.84 2.01 0.00 0.00 2.02 -1.26 -5.04 118.70 120.27 2gmg s GLU 80 Ca 0.72 -2.24 0.00 0.00 0.02 0.00 0.00 54.97 53.47 2gmg s GLU 80 Cb -0.33 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 32.95 2gmg s GLU 80 CO 0.28 -0.42 0.00 0.44 0.02 0.00 0.00 175.26 175.59 2gmg n ILE 81 N -1.02 0.00 -1.76 -1.63 -6.64 -1.26 -4.98 119.36 102.06 2gmg n ILE 81 Ca -0.10 0.00 -0.40 0.00 -1.77 0.00 0.00 62.75 60.48 2gmg n ILE 81 Cb 0.66 -0.74 0.02 0.00 -1.44 0.00 0.00 39.64 38.13 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 -0.91 3.35 -4.87 7.28 4.13 -1.26 -5.02 115.26 117.96 2gmg n ASN 82 Ca 0.00 1.14 -0.37 0.00 1.68 0.00 0.00 54.58 57.02 2gmg n ASN 82 Cb 0.00 -1.60 -0.06 0.00 -1.54 0.00 0.00 39.78 36.58 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 -1.18 5.35 0.46 2.41 1.10 -1.26 -5.12 121.20 122.97 2gmg s ILE 83 Ca 0.60 0.40 -0.19 0.00 -0.51 0.00 0.00 60.65 60.95 2gmg s ILE 83 Cb -0.46 -3.50 -0.10 0.00 0.15 0.00 0.00 42.46 38.55 2gmg s ILE 83 CO 0.59 0.59 0.95 -2.84 -2.11 0.00 0.00 174.94 172.12 2gmg s PRO 84 N -1.09 4.09 0.22 3.50 0.02 -1.26 -4.99 135.00 135.49 2gmg s PRO 84 Ca 0.18 1.01 0.24 0.00 0.02 0.00 0.00 61.00 62.45 2gmg s PRO 84 Cb -0.13 -2.18 0.27 0.00 0.02 0.00 0.00 34.50 32.47 2gmg s PRO 84 CO 0.08 -0.12 1.33 0.77 -0.33 0.00 0.00 177.00 178.72 2gmg h SER 85 N 1.50 0.00 -4.57 2.53 0.02 -2.01 -3.47 113.55 107.56 2gmg h SER 85 Ca -0.48 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.27 2gmg h SER 85 Cb 1.18 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.50 2gmg h SER 85 CO 0.61 0.04 -0.30 0.00 -1.14 0.00 0.00 176.83 176.04 2gmg s ARG 86 N -3.24 0.56 -0.02 3.45 1.70 -1.26 -4.96 118.95 115.18 2gmg s ARG 86 Ca 0.04 0.05 -0.30 0.00 -0.47 0.00 0.00 55.73 55.05 2gmg s ARG 86 Cb 0.10 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 2gmg s ARG 86 CO 0.72 -0.13 1.20 0.00 -1.08 0.00 0.00 175.30 176.01 2gmg h PRO 88 N 7.28 0.00 0.00 0.00 0.13 -2.01 -2.14 132.00 135.26 2gmg h PRO 88 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2gmg h PRO 88 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2gmg h PRO 88 CO 0.86 0.01 -0.77 1.17 -0.23 0.00 0.00 178.00 179.04 2gmg n LYS 89 N -3.10 0.41 0.02 0.86 4.81 -1.26 -4.78 118.16 115.12 2gmg n LYS 89 Ca -0.01 0.17 0.11 0.00 -0.87 0.00 0.00 58.31 57.72 2gmg n LYS 89 Cb 0.23 -1.23 -0.13 0.00 0.02 0.00 0.00 35.03 33.92 2gmg n LYS 89 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2gmg n LYS 91 N -2.38 -0.57 0.00 0.00 4.81 -0.80 -5.00 118.16 114.22 2gmg n LYS 91 Ca -0.03 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.85 2gmg n LYS 91 Cb 0.57 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.63 2gmg n LYS 91 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2gmg n SER 92 N -2.11 0.00 0.00 3.14 2.88 -1.26 -4.87 113.62 111.40 2gmg n SER 92 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2gmg n SER 92 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2gmg n SER 92 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2gmg n GLU 93 N 0.00 0.00 -3.09 -1.46 1.02 -1.26 -4.79 120.64 111.06 2gmg n GLU 93 Ca 0.00 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.69 2gmg n GLU 93 Cb 0.00 -0.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.96 2gmg n GLU 93 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 2gmg s TRP 94 N -1.00 3.22 -0.02 -0.32 -0.11 -1.26 -5.03 118.94 114.43 2gmg s TRP 94 Ca 0.00 -1.36 0.08 0.00 1.22 0.00 0.00 56.10 56.04 2gmg s TRP 94 Cb 0.00 -4.07 -0.02 0.00 -1.50 0.00 0.00 33.47 27.88 2gmg s TRP 94 CO 0.00 -1.30 -0.25 0.42 -4.62 0.00 0.00 176.95 171.20 2gmg s ILE 95 N 2.10 1.98 -0.07 5.86 1.01 -1.26 -3.12 121.20 127.70 2gmg s ILE 95 Ca 0.21 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 59.63 2gmg s ILE 95 Cb -0.13 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 2gmg s ILE 95 CO -0.03 0.56 0.41 -1.61 0.00 0.00 0.00 174.94 174.27 2gmg s GLU 96 N -0.58 4.12 0.35 2.79 2.02 0.26 -4.95 118.70 122.70 2gmg s GLU 96 Ca 0.10 0.37 -0.24 0.00 0.02 0.00 0.00 54.97 55.22 2gmg s GLU 96 Cb -0.10 -3.33 -0.10 0.00 0.10 0.00 0.00 34.13 30.70 2gmg s GLU 96 CO -0.01 0.43 0.92 -1.21 0.02 0.00 0.00 175.26 175.42 2gmg s GLU 97 N -0.24 4.44 0.80 1.61 2.02 -1.26 -3.71 118.70 122.36 2gmg s GLU 97 Ca 0.23 1.21 -0.11 0.00 0.02 0.00 0.00 54.97 56.32 2gmg s GLU 97 Cb -0.16 -2.62 0.07 0.00 0.10 0.00 0.00 34.13 31.53 2gmg s GLU 97 CO 0.11 0.20 1.09 -2.14 0.02 0.00 0.00 175.26 174.53 2gmg s PRO 98 N -2.40 2.03 -0.06 0.39 0.02 -1.26 -4.84 135.00 128.87 2gmg s PRO 98 Ca 0.53 0.89 0.02 0.00 0.02 0.00 0.00 61.00 62.47 2gmg s PRO 98 Cb -0.15 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 2gmg s PRO 98 CO 0.20 -1.72 -0.12 1.03 -0.33 0.00 0.00 177.00 176.06 2gmg s ARG 99 N -5.00 2.69 -0.15 5.54 0.52 -1.25 -4.96 118.95 116.34 2gmg s ARG 99 Ca 0.61 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2gmg s ARG 99 Cb -0.16 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 2gmg s ARG 99 CO 0.56 0.59 -0.10 -0.06 0.02 0.00 0.00 175.30 176.31 2gmg s PHE 100 N -0.63 2.88 0.03 -0.53 0.08 -1.26 -1.07 117.98 117.48 2gmg s PHE 100 Ca 0.09 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.51 2gmg s PHE 100 Cb -0.11 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2gmg s PHE 100 CO 0.01 -0.25 -0.06 0.15 -0.10 0.00 0.00 175.22 174.98 2gmg s LYS 101 N 0.57 0.43 -0.09 0.44 1.02 -1.10 -4.50 119.74 116.50 2gmg s LYS 101 Ca -0.06 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.28 2gmg s LYS 101 Cb -0.15 -0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2gmg s LYS 101 CO 0.03 0.00 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.72 2gmg s LEU 102 N -1.53 2.05 -0.07 3.17 1.02 -1.25 -2.77 118.68 119.30 2gmg s LEU 102 Ca -0.13 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 53.55 2gmg s LEU 102 Cb -0.10 -1.35 -0.01 0.00 0.02 0.00 0.00 46.19 44.75 2gmg s LEU 102 CO -0.00 0.17 -0.23 -0.70 0.02 0.00 0.00 176.35 175.61 2gmg s GLU 103 N 0.24 2.72 -0.27 1.70 2.12 -1.24 -4.76 118.70 119.21 2gmg s GLU 103 Ca -0.15 -0.87 -0.10 0.00 0.36 0.00 0.00 54.97 54.21 2gmg s GLU 103 Cb -0.17 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 2gmg s GLU 103 CO 0.07 0.34 0.16 1.03 -0.54 0.00 0.00 175.26 176.32 2gmg s ARG 104 N -0.05 3.89 0.00 4.30 0.52 -1.26 -4.15 118.95 122.20 2gmg s ARG 104 Ca -0.06 -0.35 0.08 0.00 -0.52 0.00 0.00 55.73 54.87 2gmg s ARG 104 Cb -0.15 -3.56 0.06 0.00 0.52 0.00 0.00 34.95 31.82 2gmg s ARG 104 CO 0.05 -0.16 0.75 1.63 0.02 0.00 0.00 175.30 177.59