#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 -3.74 0.00 -0.00 -1.26 -5.00 115.22 105.22 2gmg n HIS 2 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.36 2gmg n HIS 2 Cb 0.00 -0.24 -0.09 0.00 -0.00 0.00 0.00 29.99 29.66 2gmg n HIS 2 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2gmg s HIS 3 N -2.52 3.33 0.07 4.41 5.65 -1.26 -5.10 115.29 119.87 2gmg s HIS 3 Ca -0.03 0.21 0.09 0.00 0.25 0.00 0.00 55.06 55.57 2gmg s HIS 3 Cb 0.05 -2.21 -0.03 0.00 -1.18 0.00 0.00 32.58 29.21 2gmg s HIS 3 CO 0.36 0.13 -0.21 -1.58 -0.65 0.00 0.00 174.74 172.79 2gmg s HIS 4 N 0.76 2.47 -0.30 3.88 5.04 -1.26 -5.13 115.29 120.76 2gmg s HIS 4 Ca 0.07 -0.31 -0.18 0.00 -1.54 0.00 0.00 55.06 53.10 2gmg s HIS 4 Cb -0.13 -1.39 -0.02 0.00 0.04 0.00 0.00 32.58 31.09 2gmg s HIS 4 CO 0.02 0.27 0.52 -1.58 -2.34 0.00 0.00 174.74 171.63 2gmg s HIS 5 N -0.97 3.23 -0.04 3.88 5.65 -1.26 -5.07 115.29 120.70 2gmg s HIS 5 Ca 0.15 0.47 0.06 0.00 0.25 0.00 0.00 55.06 55.99 2gmg s HIS 5 Cb -0.10 -2.81 -0.02 0.00 -1.18 0.00 0.00 32.58 28.46 2gmg s HIS 5 CO 0.06 -0.39 -0.23 -1.01 -0.65 0.00 0.00 174.74 172.52 2gmg s HIS 6 N 2.37 2.45 -0.12 3.88 4.02 -1.26 -5.14 115.29 121.49 2gmg s HIS 6 Ca 0.21 -0.46 0.01 0.00 1.02 0.00 0.00 55.06 55.84 2gmg s HIS 6 Cb -0.15 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.58 29.83 2gmg s HIS 6 CO 0.11 -0.04 -0.15 -3.38 1.02 0.00 0.00 174.74 172.30 2gmg s HIS 7 N -0.49 2.76 0.00 1.40 0.00 -1.26 -5.01 115.29 112.69 2gmg s HIS 7 Ca 0.06 -0.67 0.00 0.00 -3.00 0.00 0.00 55.06 51.45 2gmg s HIS 7 Cb -0.11 -1.80 0.00 0.00 -4.00 0.00 0.00 32.58 26.66 2gmg s HIS 7 CO 0.01 -0.21 0.00 0.41 -1.00 0.00 0.00 174.74 173.94 2gmg n GLY 8 N 3.43 1.55 0.11 -1.38 0.00 -1.26 -5.02 105.19 102.62 2gmg n GLY 8 Ca -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2gmg n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gmg h SER 9 N 0.00 0.00 1.20 1.61 4.64 -2.00 -3.19 113.55 115.81 2gmg h SER 9 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2gmg h SER 9 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2gmg h SER 9 CO 0.00 0.59 -0.76 0.00 -0.87 0.00 0.00 176.83 175.79 2gmg h ALA 10 N 1.41 0.52 0.21 5.18 0.00 -2.00 -3.15 119.26 121.44 2gmg h ALA 10 Ca -0.10 -0.69 -0.32 0.00 0.00 0.00 0.00 54.91 53.80 2gmg h ALA 10 Cb 1.53 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.22 2gmg h ALA 10 CO 0.06 0.95 -1.53 1.79 0.00 0.00 0.00 179.25 180.52 2gmg h THR 11 N 0.00 1.14 -0.87 0.00 1.35 -1.96 -2.73 112.91 109.84 2gmg h THR 11 Ca -0.01 -2.58 -0.01 0.00 -0.55 0.00 0.00 66.41 63.26 2gmg h THR 11 Cb 1.56 2.92 -0.04 0.00 -1.73 0.00 0.00 68.15 70.86 2gmg h THR 11 CO 0.10 0.81 0.50 0.03 -0.25 0.00 0.00 175.52 176.71 2gmg h ARG 12 N 0.04 1.19 -0.21 4.72 3.08 -1.67 0.98 114.38 122.51 2gmg h ARG 12 Ca -0.29 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.49 2gmg h ARG 12 Cb 2.06 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.86 2gmg h ARG 12 CO 0.21 0.85 -0.50 0.00 -1.07 0.00 0.00 179.97 179.46 2gmg h ARG 13 N 1.20 0.58 -0.20 0.04 3.08 -1.67 -2.96 114.38 114.46 2gmg h ARG 13 Ca 0.31 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2gmg h ARG 13 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2gmg h ARG 13 CO -0.05 0.95 -0.17 0.93 -1.07 0.00 0.00 179.97 180.55 2gmg h GLU 14 N 0.46 0.34 0.00 0.04 5.08 -1.08 -2.62 114.58 116.79 2gmg h GLU 14 Ca 0.02 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2gmg h GLU 14 Cb 1.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2gmg h GLU 14 CO 0.10 0.51 -0.28 0.87 -1.00 0.00 0.00 179.01 179.21 2gmg h LYS 15 N 0.31 0.00 -0.15 2.33 1.57 -0.68 -2.86 116.57 117.09 2gmg h LYS 15 Ca 0.06 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2gmg h LYS 15 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 2gmg h LYS 15 CO 0.03 0.28 -0.09 0.82 -0.57 0.00 0.00 179.45 179.92 2gmg h ILE 16 N 0.00 1.32 0.00 1.86 1.08 -1.31 -2.44 117.51 118.02 2gmg h ILE 16 Ca -0.00 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 2gmg h ILE 16 Cb 0.72 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2gmg h ILE 16 CO 0.04 0.34 0.00 2.30 -0.69 0.00 0.00 178.15 180.13 2gmg n ILE 17 N -4.63 0.00 -0.08 -0.67 -6.64 -1.18 -3.02 119.36 103.15 2gmg n ILE 17 Ca -0.06 0.00 -0.11 0.00 -1.77 0.00 0.00 62.75 60.81 2gmg n ILE 17 Cb 0.31 -0.34 -0.07 0.00 -1.44 0.00 0.00 39.64 38.10 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 -0.83 0.39 0.06 6.28 1.02 -1.09 -4.54 120.64 121.93 2gmg n GLU 18 Ca 0.16 0.09 0.06 0.00 -0.02 0.00 0.00 57.16 57.46 2gmg n GLU 18 Cb 0.07 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.13 2gmg n GLU 18 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2gmg n LEU 19 N -2.97 0.77 0.01 -4.62 7.94 -0.93 -4.24 117.00 112.95 2gmg n LEU 19 Ca -0.28 0.32 0.14 0.00 -1.11 0.00 0.00 56.01 55.07 2gmg n LEU 19 Cb 0.79 0.01 0.53 0.00 0.53 0.00 0.00 43.42 45.29 2gmg n LEU 19 CO 0.15 -0.03 0.86 -0.11 -1.11 0.00 0.00 177.39 177.15 2gmg n LEU 20 N -2.73 0.17 0.00 -1.96 0.00 -1.17 -3.28 117.00 108.03 2gmg n LEU 20 Ca -0.05 0.42 0.12 0.00 0.00 0.00 0.00 56.01 56.50 2gmg n LEU 20 Cb 0.68 -0.44 0.32 0.00 0.00 0.00 0.00 43.42 43.99 2gmg n LEU 20 CO 0.42 0.00 0.55 -0.11 0.00 0.00 0.00 177.39 178.26 2gmg n LEU 21 N -1.58 0.41 -0.05 -1.96 7.94 -1.26 -3.85 117.00 116.65 2gmg n LEU 21 Ca 0.07 0.11 -0.01 0.00 -1.11 0.00 0.00 56.01 55.06 2gmg n LEU 21 Cb 0.35 -0.30 -0.13 0.00 0.53 0.00 0.00 43.42 43.87 2gmg n LEU 21 CO 0.29 0.09 -0.89 -0.62 -1.11 0.00 0.00 177.39 175.15 2gmg n GLU 22 N -1.52 1.09 -2.13 1.96 1.02 -1.21 -4.98 120.64 114.88 2gmg n GLU 22 Ca 0.06 -0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2gmg n GLU 22 Cb 0.34 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 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 1.85 1.44 3.33 0.62 0.00 -1.23 -5.17 105.19 106.04 2gmg n GLY 23 Ca -0.17 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.82 3.71 0.01 1.61 -4.77 -1.26 -4.42 116.67 109.74 2gmg s ASP 24 Ca 0.07 -0.39 0.01 0.00 -3.30 0.00 0.00 52.55 48.94 2gmg s ASP 24 Cb -0.02 -1.48 -0.01 0.00 -1.09 0.00 0.00 42.92 40.32 2gmg s ASP 24 CO 0.04 0.18 -0.05 -0.31 0.70 0.00 0.00 175.17 175.73 2gmg s TYR 25 N 0.27 0.42 0.73 2.11 2.02 -1.26 -5.09 117.35 116.54 2gmg s TYR 25 Ca -0.12 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 2gmg s TYR 25 Cb -0.16 -0.26 0.03 0.00 -0.40 0.00 0.00 41.96 41.16 2gmg s TYR 25 CO 0.06 -0.05 1.07 -1.12 -1.57 0.00 0.00 175.55 173.94 2gmg s SER 26 N -0.72 5.02 0.22 2.29 0.01 -1.26 -4.67 113.70 114.59 2gmg s SER 26 Ca -0.04 1.71 -0.08 0.00 1.31 0.00 0.00 55.95 58.84 2gmg s SER 26 Cb -0.05 -2.51 0.33 0.00 0.21 0.00 0.00 66.02 64.00 2gmg s SER 26 CO -0.00 -1.68 1.74 -0.65 0.41 0.00 0.00 173.24 173.05 2gmg h PRO 27 N -0.87 0.41 0.00 12.44 0.11 -1.96 0.17 132.00 142.30 2gmg h PRO 27 Ca -0.44 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2gmg h PRO 27 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2gmg h PRO 27 CO 0.55 0.27 -0.24 0.77 -0.21 0.00 0.00 178.00 179.14 2gmg h SER 28 N 0.42 0.00 0.04 -2.05 0.02 -1.94 -2.98 113.55 107.06 2gmg h SER 28 Ca 0.34 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.02 2gmg h SER 28 Cb 0.45 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.01 2gmg h SER 28 CO -0.34 0.24 -1.07 -0.33 -1.14 0.00 0.00 176.83 174.19 2gmg h GLU 29 N 0.00 0.68 0.52 3.45 5.08 -1.58 -2.82 114.58 119.91 2gmg h GLU 29 Ca -0.00 -0.75 -0.03 0.00 -1.00 0.00 0.00 59.36 57.58 2gmg h GLU 29 Cb 0.51 0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.98 2gmg h GLU 29 CO 0.03 1.32 -0.25 -0.07 -1.00 0.00 0.00 179.01 179.04 2gmg h LEU 30 N 0.37 -0.59 -1.74 1.33 3.38 -0.68 -2.86 115.31 114.52 2gmg h LEU 30 Ca -0.13 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2gmg h LEU 30 Cb 1.72 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.62 2gmg h LEU 30 CO 0.21 -0.37 0.44 0.00 0.09 0.00 0.00 178.44 178.80 2gmg h ALA 31 N -1.58 1.51 -0.30 1.53 0.00 -1.67 -0.52 119.26 118.23 2gmg h ALA 31 Ca -0.07 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2gmg h ALA 31 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2gmg h ALA 31 CO 0.12 -0.46 -0.35 0.00 0.00 0.00 0.00 179.25 178.55 2gmg h ARG 32 N 0.00 0.77 -5.86 0.00 3.08 -1.34 -3.37 114.38 107.66 2gmg h ARG 32 Ca 0.02 -0.42 -0.65 0.00 0.07 0.00 0.00 59.98 59.00 2gmg h ARG 32 Cb 0.90 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.87 2gmg h ARG 32 CO -0.00 1.05 1.78 -1.50 -1.07 0.00 0.00 179.97 180.23 2gmg s ILE 33 N -4.30 4.12 0.00 2.04 2.07 -0.20 -3.96 121.20 120.96 2gmg s ILE 33 Ca -0.12 -1.44 0.00 0.00 -1.41 0.00 0.00 60.65 57.68 2gmg s ILE 33 Cb 0.09 -5.10 0.00 0.00 0.13 0.00 0.00 42.46 37.58 2gmg s ILE 33 CO 0.85 -1.94 0.00 0.18 -1.91 0.00 0.00 174.94 172.12 2gmg n LEU 34 N 8.35 0.00 -1.97 8.50 4.77 -1.26 -4.98 117.00 130.41 2gmg n LEU 34 Ca 0.40 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.20 2gmg n LEU 34 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2gmg n LEU 34 CO 0.70 0.01 -0.22 0.47 -1.33 0.00 0.00 177.39 177.01 2gmg n ASP 35 N 0.00 -5.33 -4.22 -1.43 8.00 -1.25 -5.03 116.55 107.29 2gmg n ASP 35 Ca 0.00 0.08 -0.16 0.00 0.71 0.00 0.00 54.79 55.42 2gmg n ASP 35 Cb 0.01 -4.40 -0.11 0.00 -0.02 0.00 0.00 41.12 36.60 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 -4.64 0.97 -0.13 -1.24 -1.94 -1.26 -5.15 119.30 105.91 2gmg s MET 36 Ca 0.00 -1.27 -0.13 0.00 -1.71 0.00 0.00 55.69 52.57 2gmg s MET 36 Cb 0.00 -0.69 -0.05 0.00 2.01 0.00 0.00 34.83 36.10 2gmg s MET 36 CO 0.00 0.11 0.30 1.03 -0.01 0.00 0.00 175.02 176.45 2gmg s ARG 37 N -3.02 4.12 -0.10 2.03 0.52 -1.26 -4.73 118.95 116.50 2gmg s ARG 37 Ca 0.10 0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 2gmg s ARG 37 Cb -0.02 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 32.09 2gmg s ARG 37 CO 0.01 0.36 -0.19 0.20 0.02 0.00 0.00 175.30 175.70 2gmg s GLY 38 N 0.09 1.17 -0.14 -3.53 0.00 -1.26 -5.01 107.32 98.64 2gmg s GLY 38 Ca 0.18 -0.84 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 2gmg s GLY 38 CO 0.05 -0.04 -0.13 0.28 0.00 0.00 0.00 173.10 173.26 2gmg n LYS 39 N 3.87 0.35 -3.52 2.90 5.02 -1.26 -4.91 118.16 120.60 2gmg n LYS 39 Ca -0.20 0.09 -0.28 0.00 -2.02 0.00 0.00 58.31 55.90 2gmg n LYS 39 Cb 0.52 -1.24 -0.12 0.00 -0.02 0.00 0.00 35.03 34.17 2gmg n LYS 39 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2gmg s GLY 40 N -5.35 1.30 -0.00 0.72 0.00 -1.26 -4.92 107.32 97.81 2gmg s GLY 40 Ca -0.19 -2.37 0.01 0.00 0.00 0.00 0.00 44.72 42.16 2gmg s GLY 40 CO 0.31 1.92 0.02 -1.26 0.00 0.00 0.00 173.10 174.09 2gmg n SER 41 N 3.35 0.64 0.10 1.64 2.88 -1.26 -4.72 113.62 116.26 2gmg n SER 41 Ca 0.18 -0.45 -0.13 0.00 -1.33 0.00 0.00 58.87 57.14 2gmg n SER 41 Cb 0.40 1.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.78 2gmg n SER 41 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2gmg h LYS 42 N 0.00 -0.22 0.00 -1.46 1.57 -1.91 -0.41 116.57 114.14 2gmg h LYS 42 Ca 0.00 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 2gmg h LYS 42 Cb 0.01 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2gmg h LYS 42 CO 0.00 0.02 -0.71 0.87 -0.57 0.00 0.00 179.45 179.05 2gmg h LYS 43 N -0.43 0.00 -0.41 3.15 1.57 -2.00 -2.98 116.57 115.47 2gmg h LYS 43 Ca -0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 2gmg h LYS 43 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2gmg h LYS 43 CO 0.04 0.71 -0.12 0.28 -0.57 0.00 0.00 179.45 179.79 2gmg h VAL 44 N 0.00 1.28 0.00 0.50 2.07 -1.83 -2.67 116.25 115.59 2gmg h VAL 44 Ca -0.01 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 2gmg h VAL 44 Cb 1.28 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 2gmg h VAL 44 CO 0.09 0.42 -0.19 -0.29 0.02 0.00 0.00 177.57 177.62 2gmg h ILE 45 N 0.63 0.40 0.02 4.57 6.09 -1.08 -2.87 117.51 125.27 2gmg h ILE 45 Ca 0.10 -1.16 -0.23 0.00 -1.37 0.00 0.00 64.86 62.21 2gmg h ILE 45 Cb 0.66 1.86 0.00 0.00 0.47 0.00 0.00 36.82 39.81 2gmg h ILE 45 CO 0.05 0.18 -0.97 -0.07 -3.07 0.00 0.00 178.15 174.27 2gmg h LEU 46 N 0.00 0.49 -0.44 2.19 3.38 -1.36 -2.73 115.31 116.84 2gmg h LEU 46 Ca -0.00 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 2gmg h LEU 46 Cb 0.85 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2gmg h LEU 46 CO 0.02 1.22 -0.60 -0.33 0.09 0.00 0.00 178.44 178.84 2gmg h GLU 47 N 0.20 0.00 -0.28 1.13 5.08 -1.50 -3.07 114.58 116.14 2gmg h GLU 47 Ca -0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2gmg h GLU 47 Cb 1.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 2gmg h GLU 47 CO 0.16 0.60 -0.17 -0.44 -1.00 0.00 0.00 179.01 178.16 2gmg h ASP 48 N 0.00 0.49 0.01 1.42 3.32 -1.52 -2.89 116.42 117.25 2gmg h ASP 48 Ca -0.01 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2gmg h ASP 48 Cb 1.27 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 2gmg h ASP 48 CO 0.08 0.68 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.02 2gmg h LEU 49 N 0.45 0.33 -1.19 1.55 3.38 -1.39 -2.13 115.31 116.31 2gmg h LEU 49 Ca 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2gmg h LEU 49 Cb 0.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2gmg h LEU 49 CO 0.04 0.53 0.18 0.11 0.09 0.00 0.00 178.44 179.39 2gmg h LYS 50 N 0.31 0.74 -0.02 1.13 1.57 -1.47 -0.05 116.57 118.78 2gmg h LYS 50 Ca 0.05 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 2gmg h LYS 50 Cb 0.51 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2gmg h LYS 50 CO 0.03 0.64 -0.55 0.28 -0.57 0.00 0.00 179.45 179.28 2gmg h VAL 51 N 0.73 1.42 -0.09 0.50 2.07 -1.43 -3.29 116.25 116.17 2gmg h VAL 51 Ca 0.17 -2.01 -0.13 0.00 0.82 0.00 0.00 66.70 65.55 2gmg h VAL 51 Cb 0.19 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2gmg h VAL 51 CO -0.01 0.58 -0.53 0.40 0.02 0.00 0.00 177.57 178.04 2gmg h ILE 52 N -0.09 1.36 -0.14 4.57 2.04 -1.30 -3.04 117.51 120.90 2gmg h ILE 52 Ca -0.06 -1.80 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 2gmg h ILE 52 Cb 1.25 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2gmg h ILE 52 CO 0.11 0.53 -0.13 0.28 0.00 0.00 0.00 178.15 178.94 2gmg h SER 53 N 0.19 0.20 0.24 1.72 0.02 -1.09 0.15 113.55 114.99 2gmg h SER 53 Ca 0.00 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.75 2gmg h SER 53 Cb 0.99 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2gmg h SER 53 CO 0.08 0.36 -0.62 0.11 -1.14 0.00 0.00 176.83 175.62 2gmg h LYS 54 N 0.21 0.37 0.18 3.45 1.57 -1.59 -3.05 116.57 117.70 2gmg h LYS 54 Ca 0.04 -0.26 -0.34 0.00 -1.87 0.00 0.00 60.65 58.23 2gmg h LYS 54 Cb 0.36 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2gmg h LYS 54 CO 0.02 0.87 -1.67 0.82 -0.57 0.00 0.00 179.45 178.93 2gmg h ILE 55 N 0.27 0.98 -0.01 1.86 2.04 -1.53 -3.19 117.51 117.93 2gmg h ILE 55 Ca -0.01 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 2gmg h ILE 55 Cb 1.15 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 40.01 2gmg h ILE 55 CO 0.10 0.83 0.02 0.00 0.00 0.00 0.00 178.15 179.10 2gmg h ALA 56 N 0.08 1.56 0.08 1.87 0.00 -0.78 0.81 119.26 122.87 2gmg h ALA 56 Ca -0.33 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 2gmg h ALA 56 Cb 2.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2gmg h ALA 56 CO 0.16 -0.02 -1.75 0.87 0.00 0.00 0.00 179.25 178.51 2gmg h LYS 57 N 0.00 0.17 0.00 0.00 1.57 -1.64 0.16 116.57 116.83 2gmg h LYS 57 Ca 0.01 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2gmg h LYS 57 Cb 0.04 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2gmg h LYS 57 CO -0.00 0.94 0.00 0.00 -0.57 0.00 0.00 179.45 179.82 2gmg h ARG 58 N 0.05 0.00 -0.31 3.15 3.08 -1.46 -2.72 114.38 116.17 2gmg h ARG 58 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 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 0.11 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.10 2gmg n GLU 59 N -2.97 1.94 -2.86 0.04 2.13 0.25 -4.95 120.64 114.21 2gmg n GLU 59 Ca 0.01 -1.43 -0.20 0.00 0.66 0.00 0.00 57.16 56.20 2gmg n GLU 59 Cb 0.28 -1.38 0.03 0.00 0.27 0.00 0.00 31.44 30.64 2gmg n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2gmg n GLY 60 N 1.20 -0.40 3.36 8.31 0.00 -1.03 -5.02 105.19 111.61 2gmg n GLY 60 Ca 0.16 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -5.49 1.51 -0.16 1.61 -1.94 0.56 -4.66 119.30 110.73 2gmg s MET 61 Ca 0.23 -1.22 -0.00 0.00 -1.71 0.00 0.00 55.69 52.99 2gmg s MET 61 Cb -0.10 -1.86 -0.00 0.00 2.01 0.00 0.00 34.83 34.88 2gmg s MET 61 CO 0.29 0.46 -0.14 0.14 -0.01 0.00 0.00 175.02 175.75 2gmg s VAL 62 N -0.96 2.74 -0.21 -6.03 -7.23 -1.26 -3.86 120.40 103.59 2gmg s VAL 62 Ca 0.12 -0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 2gmg s VAL 62 Cb -0.10 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2gmg s VAL 62 CO 0.04 0.51 0.19 -0.76 -0.31 0.00 0.00 175.10 174.77 2gmg s LEU 63 N 0.81 4.18 -0.18 1.32 1.43 -1.26 -3.81 118.68 121.17 2gmg s LEU 63 Ca -0.05 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.27 2gmg s LEU 63 Cb -0.15 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 2gmg s LEU 63 CO 0.00 0.11 -0.02 -0.76 0.23 0.00 0.00 176.35 175.91 2gmg s LEU 64 N 0.69 3.26 -0.13 1.79 1.02 -1.21 -5.05 118.68 119.05 2gmg s LEU 64 Ca 0.10 -0.17 -0.01 0.00 0.02 0.00 0.00 54.13 54.07 2gmg s LEU 64 Cb -0.12 -1.81 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2gmg s LEU 64 CO 0.02 0.11 -0.08 -0.63 0.02 0.00 0.00 176.35 175.79 2gmg s ILE 65 N 0.72 3.52 0.09 -0.59 1.09 -1.26 -3.35 121.20 121.42 2gmg s ILE 65 Ca -0.01 -0.51 -0.27 0.00 -1.10 0.00 0.00 60.65 58.76 2gmg s ILE 65 Cb -0.14 -2.49 -0.06 0.00 -1.06 0.00 0.00 42.46 38.70 2gmg s ILE 65 CO 0.02 0.53 0.85 -0.54 -0.10 0.00 0.00 174.94 175.70 2gmg s LYS 66 N 0.10 4.60 0.06 2.79 1.02 -0.94 -4.93 119.74 122.43 2gmg s LYS 66 Ca -0.03 1.25 -0.31 0.00 0.02 0.00 0.00 55.97 56.90 2gmg s LYS 66 Cb -0.14 -3.36 -0.07 0.00 -0.52 0.00 0.00 37.83 33.74 2gmg s LYS 66 CO 0.04 0.28 1.44 -1.25 -0.92 0.00 0.00 175.35 174.95 2gmg s PRO 67 N -0.16 4.28 0.34 -1.68 0.04 -1.26 -3.94 135.00 132.62 2gmg s PRO 67 Ca 0.42 2.08 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 2gmg s PRO 67 Cb -0.22 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 30.76 2gmg s PRO 67 CO 0.26 -0.56 1.33 0.00 0.04 0.00 0.00 177.00 178.08 2gmg s ALA 68 N 1.97 3.50 0.03 8.56 0.00 -1.24 -4.92 121.76 129.66 2gmg s ALA 68 Ca 0.66 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.94 2gmg s ALA 68 Cb -0.35 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2gmg s ALA 68 CO 0.29 -0.70 -0.07 -1.14 0.00 0.00 0.00 175.76 174.13 2gmg s GLN 69 N -1.86 0.49 -0.22 0.00 0.74 -1.23 -1.26 119.66 116.32 2gmg s GLN 69 Ca 0.50 -0.64 -0.23 0.00 0.05 0.00 0.00 55.36 55.04 2gmg s GLN 69 Cb -0.41 -0.28 -0.01 0.00 1.10 0.00 0.00 33.01 33.41 2gmg s GLN 69 CO 0.54 0.05 0.73 0.00 -0.55 0.00 0.00 175.29 176.07 2gmg n ARG 71 N 5.57 0.73 -0.12 0.00 1.74 -1.03 -2.64 116.66 120.90 2gmg n ARG 71 Ca 0.02 -0.39 -0.26 0.00 -0.77 0.00 0.00 57.85 56.46 2gmg n ARG 71 Cb 0.49 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.80 0.58 0.04 5.56 5.02 -1.26 -4.61 118.16 122.68 2gmg n LYS 72 Ca 0.12 0.40 0.11 0.00 -2.02 0.00 0.00 58.31 56.92 2gmg n LYS 72 Cb 0.33 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.24 3.03 3.66 0.00 0.00 -1.08 -5.05 105.19 106.98 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 2.09 -4.06 1.61 7.35 -1.25 -4.75 117.46 116.45 2gmg n PHE 75 Ca 0.00 0.41 -0.35 0.00 -0.76 0.00 0.00 57.45 56.76 2gmg n PHE 75 Cb 0.00 -2.46 -0.10 0.00 0.35 0.00 0.00 39.48 37.27 2gmg n PHE 75 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2gmg s VAL 76 N 0.28 4.74 0.06 -2.13 0.11 -1.26 -0.52 120.40 121.69 2gmg s VAL 76 Ca 0.73 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.73 2gmg s VAL 76 Cb -0.70 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 2gmg s VAL 76 CO 0.46 0.49 0.17 -0.36 -3.33 0.00 0.00 175.10 172.53 2gmg s PHE 77 N 0.11 3.41 0.50 1.54 0.40 -0.39 -4.97 117.98 118.58 2gmg s PHE 77 Ca 0.05 0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 56.35 2gmg s PHE 77 Cb -0.12 -1.72 -0.06 0.00 0.51 0.00 0.00 43.02 41.63 2gmg s PHE 77 CO 0.01 0.57 1.24 0.15 0.70 0.00 0.00 175.22 177.89 2gmg s LYS 78 N -2.45 3.50 -0.11 0.44 1.02 -1.26 -3.61 119.74 117.27 2gmg s LYS 78 Ca 0.33 1.96 -0.29 0.00 0.02 0.00 0.00 55.97 57.98 2gmg s LYS 78 Cb -0.13 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 2gmg s LYS 78 CO 0.26 -0.81 1.69 0.00 -0.92 0.00 0.00 175.35 175.57 2gmg s ALA 79 N -1.45 3.45 0.46 5.17 0.00 -1.26 -4.52 121.76 123.61 2gmg s ALA 79 Ca 0.67 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.45 2gmg s ALA 79 Cb -0.33 -3.81 -0.02 0.00 0.00 0.00 0.00 23.12 18.96 2gmg s ALA 79 CO 0.40 -1.68 0.06 -1.21 0.00 0.00 0.00 175.76 173.33 2gmg s GLU 80 N 4.41 2.08 0.00 0.00 2.02 -1.26 -5.03 118.70 120.92 2gmg s GLU 80 Ca 0.75 -2.30 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2gmg s GLU 80 Cb -0.31 -1.12 0.00 0.00 0.10 0.00 0.00 34.13 32.80 2gmg s GLU 80 CO 0.30 -0.41 0.00 0.44 0.02 0.00 0.00 175.26 175.61 2gmg n ILE 81 N -1.10 0.00 -1.92 -1.63 -6.64 -1.26 -4.93 119.36 101.87 2gmg n ILE 81 Ca -0.13 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.46 2gmg n ILE 81 Cb 0.66 -0.79 0.01 0.00 -1.44 0.00 0.00 39.64 38.08 2gmg n ILE 81 CO 0.00 0.00 0.00 0.20 -1.77 0.00 0.00 176.55 174.98 2gmg s ASN 82 N -0.34 5.98 0.02 7.28 0.01 -1.26 -5.04 114.94 121.59 2gmg s ASN 82 Ca 0.00 2.76 -0.00 0.00 -0.71 0.00 0.00 52.86 54.91 2gmg s ASN 82 Cb 0.00 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 2gmg s ASN 82 CO 0.00 -1.09 0.12 -0.51 -1.51 0.00 0.00 177.10 174.11 2gmg s ILE 83 N -1.26 4.92 0.62 0.60 1.10 -1.26 -5.13 121.20 120.80 2gmg s ILE 83 Ca 0.61 -0.43 -0.11 0.00 -0.51 0.00 0.00 60.65 60.20 2gmg s ILE 83 Cb -0.40 -3.31 -0.04 0.00 0.15 0.00 0.00 42.46 38.86 2gmg s ILE 83 CO 0.51 0.27 1.03 -2.84 -2.11 0.00 0.00 174.94 171.80 2gmg s PRO 84 N -2.03 3.53 0.17 3.50 0.02 -1.26 -5.02 135.00 133.91 2gmg s PRO 84 Ca 0.27 0.79 0.21 0.00 0.02 0.00 0.00 61.00 62.29 2gmg s PRO 84 Cb -0.12 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 2gmg s PRO 84 CO 0.19 -0.62 0.99 0.77 -0.33 0.00 0.00 177.00 178.00 2gmg h SER 85 N -0.29 0.00 -5.03 2.53 0.02 -2.01 -3.48 113.55 105.29 2gmg h SER 85 Ca -0.44 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 2gmg h SER 85 Cb 1.19 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.56 2gmg h SER 85 CO 0.61 0.18 -0.17 0.00 -1.14 0.00 0.00 176.83 176.32 2gmg s ARG 86 N -3.22 0.84 0.31 3.45 1.70 -1.26 -4.97 118.95 115.80 2gmg s ARG 86 Ca -0.01 -0.33 -0.27 0.00 -0.47 0.00 0.00 55.73 54.64 2gmg s ARG 86 Cb 0.09 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.75 2gmg s ARG 86 CO 0.79 -0.27 1.00 0.00 -1.08 0.00 0.00 175.30 175.75 2gmg h PRO 88 N 3.36 0.00 0.00 0.00 0.11 -2.02 -3.36 132.00 130.09 2gmg h PRO 88 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2gmg h PRO 88 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gmg h PRO 88 CO 0.65 0.00 -0.16 -0.22 -0.21 0.00 0.00 178.00 178.07 2gmg h LYS 89 N 0.00 0.00 0.00 1.05 3.64 -2.01 -3.50 116.57 115.75 2gmg h LYS 89 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gmg h LYS 89 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2gmg h LYS 89 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 2gmg n LYS 91 N 0.00 2.58 -1.88 0.00 5.02 -1.26 -3.43 118.16 119.19 2gmg n LYS 91 Ca 0.00 -3.07 -0.43 0.00 -2.02 0.00 0.00 58.31 52.79 2gmg n LYS 91 Cb 0.00 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.97 2gmg n LYS 91 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2gmg s SER 92 N -1.76 5.98 0.00 4.39 0.15 -1.26 -4.88 113.70 116.31 2gmg s SER 92 Ca 0.50 1.75 0.19 0.00 0.70 0.00 0.00 55.95 59.09 2gmg s SER 92 Cb 0.42 -2.52 0.63 0.00 -1.71 0.00 0.00 66.02 62.84 2gmg s SER 92 CO 0.07 -1.56 1.48 -0.62 1.20 0.00 0.00 173.24 173.81 2gmg n GLU 93 N 8.18 1.86 -3.21 5.44 1.02 -1.26 -4.30 120.64 128.37 2gmg n GLU 93 Ca 0.23 -1.30 -0.46 0.00 -0.02 0.00 0.00 57.16 55.62 2gmg n GLU 93 Cb 0.45 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.69 3.66 0.04 -0.32 0.51 -1.26 -5.01 118.94 114.86 2gmg s TRP 94 Ca 0.32 -1.95 0.09 0.00 -2.12 0.00 0.00 56.10 52.44 2gmg s TRP 94 Cb 0.17 -3.97 -0.03 0.00 -0.81 0.00 0.00 33.47 28.84 2gmg s TRP 94 CO 0.25 -1.13 -0.26 0.42 -0.51 0.00 0.00 176.95 175.72 2gmg s ILE 95 N 0.68 2.10 -0.08 2.03 1.09 -1.26 -2.47 121.20 123.29 2gmg s ILE 95 Ca 0.25 -1.36 -0.17 0.00 -1.10 0.00 0.00 60.65 58.27 2gmg s ILE 95 Cb -0.08 -1.80 -0.05 0.00 -1.06 0.00 0.00 42.46 39.48 2gmg s ILE 95 CO -0.08 0.38 0.46 -1.61 -0.10 0.00 0.00 174.94 173.98 2gmg s GLU 96 N -1.18 4.25 0.21 2.79 2.02 0.61 -4.98 118.70 122.41 2gmg s GLU 96 Ca 0.11 0.45 -0.29 0.00 0.02 0.00 0.00 54.97 55.27 2gmg s GLU 96 Cb -0.10 -3.38 -0.08 0.00 0.10 0.00 0.00 34.13 30.67 2gmg s GLU 96 CO 0.02 0.30 0.89 -1.21 0.02 0.00 0.00 175.26 175.28 2gmg s GLU 97 N 0.15 4.76 0.84 1.61 2.02 -1.26 -3.58 118.70 123.25 2gmg s GLU 97 Ca 0.25 1.39 -0.10 0.00 0.02 0.00 0.00 54.97 56.53 2gmg s GLU 97 Cb -0.16 -3.28 0.10 0.00 0.10 0.00 0.00 34.13 30.89 2gmg s GLU 97 CO 0.11 0.51 1.12 -1.25 0.02 0.00 0.00 175.26 175.77 2gmg s PRO 98 N -1.07 1.63 -0.06 0.39 0.04 -1.26 -4.89 135.00 129.78 2gmg s PRO 98 Ca 0.40 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.80 2gmg s PRO 98 Cb -0.25 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2gmg s PRO 98 CO 0.30 -2.14 -0.14 1.03 0.04 0.00 0.00 177.00 176.10 2gmg s ARG 99 N -4.78 2.57 -0.12 4.56 0.52 -1.25 -4.91 118.95 115.52 2gmg s ARG 99 Ca 0.64 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2gmg s ARG 99 Cb -0.20 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.86 2gmg s ARG 99 CO 0.57 0.60 -0.16 -0.06 0.02 0.00 0.00 175.30 176.27 2gmg s PHE 100 N -0.67 2.74 0.03 -0.53 0.08 -1.26 -2.22 117.98 116.15 2gmg s PHE 100 Ca 0.10 -0.79 -0.00 0.00 0.12 0.00 0.00 56.93 56.36 2gmg s PHE 100 Cb -0.11 -1.81 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2gmg s PHE 100 CO 0.01 -0.29 -0.03 0.15 -0.10 0.00 0.00 175.22 174.95 2gmg s LYS 101 N 0.39 0.38 -0.09 0.44 1.02 -1.21 -4.48 119.74 116.19 2gmg s LYS 101 Ca -0.13 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.18 2gmg s LYS 101 Cb -0.16 0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.25 2gmg s LYS 101 CO 0.06 -0.06 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.69 2gmg s LEU 102 N -1.73 2.06 -0.05 3.17 1.02 -1.25 -3.34 118.68 118.56 2gmg s LEU 102 Ca -0.11 -0.54 0.07 0.00 0.02 0.00 0.00 54.13 53.56 2gmg s LEU 102 Cb -0.07 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.76 2gmg s LEU 102 CO -0.03 0.17 -0.25 -1.61 0.02 0.00 0.00 176.35 174.66 2gmg s GLU 103 N 0.27 2.36 -0.28 1.70 2.02 -1.25 -4.68 118.70 118.83 2gmg s GLU 103 Ca -0.16 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 53.81 2gmg s GLU 103 Cb -0.17 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 2gmg s GLU 103 CO 0.08 0.42 0.28 1.03 0.02 0.00 0.00 175.26 177.10 2gmg s ARG 104 N -0.28 3.97 0.00 1.61 0.52 -1.26 -4.14 118.95 119.36 2gmg s ARG 104 Ca 0.00 -0.15 0.08 0.00 -0.52 0.00 0.00 55.73 55.14 2gmg s ARG 104 Cb -0.12 -3.66 0.06 0.00 0.52 0.00 0.00 34.95 31.74 2gmg s ARG 104 CO 0.02 -0.24 0.75 1.63 0.02 0.00 0.00 175.30 177.48