#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmg s HIS 2 N 0.00 2.90 -0.08 0.00 0.09 -1.26 -5.13 115.29 111.80 2gmg s HIS 2 Ca 0.00 -0.27 0.02 0.00 -0.00 0.00 0.00 55.06 54.80 2gmg s HIS 2 Cb 0.00 -1.81 -0.02 0.00 -0.00 0.00 0.00 32.58 30.75 2gmg s HIS 2 CO 0.00 0.06 -0.13 -1.01 -0.00 0.00 0.00 174.74 173.67 2gmg s HIS 3 N -0.15 2.78 -0.21 1.40 0.09 -1.26 -5.13 115.29 112.81 2gmg s HIS 3 Ca 0.01 -0.31 -0.09 0.00 -0.00 0.00 0.00 55.06 54.67 2gmg s HIS 3 Cb -0.13 -1.73 -0.05 0.00 -0.00 0.00 0.00 32.58 30.68 2gmg s HIS 3 CO 0.03 0.06 0.11 -1.01 -0.00 0.00 0.00 174.74 173.92 2gmg s HIS 4 N -0.32 3.30 -0.07 1.40 0.09 -1.26 -5.11 115.29 113.32 2gmg s HIS 4 Ca 0.03 0.16 0.01 0.00 -0.00 0.00 0.00 55.06 55.26 2gmg s HIS 4 Cb -0.13 -2.16 -0.03 0.00 -0.00 0.00 0.00 32.58 30.27 2gmg s HIS 4 CO 0.03 0.14 -0.09 -1.01 -0.00 0.00 0.00 174.74 173.80 2gmg s HIS 5 N 0.61 2.87 -0.18 1.40 0.09 -1.26 -5.13 115.29 113.68 2gmg s HIS 5 Ca 0.06 -0.08 -0.11 0.00 -0.00 0.00 0.00 55.06 54.93 2gmg s HIS 5 Cb -0.12 -1.70 -0.05 0.00 -0.00 0.00 0.00 32.58 30.70 2gmg s HIS 5 CO 0.01 0.25 0.17 -1.01 -0.00 0.00 0.00 174.74 174.16 2gmg s HIS 6 N -0.68 3.44 -0.19 1.40 4.02 -1.26 -5.10 115.29 116.93 2gmg s HIS 6 Ca 0.10 0.42 -0.06 0.00 1.02 0.00 0.00 55.06 56.54 2gmg s HIS 6 Cb -0.11 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.58 29.23 2gmg s HIS 6 CO 0.01 0.33 0.03 -1.01 1.02 0.00 0.00 174.74 175.13 2gmg s HIS 7 N 0.23 3.15 0.52 1.40 0.09 -1.26 -5.12 115.29 114.29 2gmg s HIS 7 Ca 0.11 -0.14 0.05 0.00 -0.00 0.00 0.00 55.06 55.07 2gmg s HIS 7 Cb -0.12 -2.07 0.02 0.00 -0.00 0.00 0.00 32.58 30.41 2gmg s HIS 7 CO 0.00 -0.01 0.29 0.20 -0.00 0.00 0.00 174.74 175.22 2gmg s GLY 8 N 0.62 2.52 0.08 -2.22 0.00 -1.26 -5.07 107.32 101.99 2gmg s GLY 8 Ca 0.01 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.64 2gmg s GLY 8 CO 0.02 -1.99 1.14 1.48 0.00 0.00 0.00 173.10 173.74 2gmg h SER 9 N 0.97 0.12 0.25 1.64 4.64 -2.00 -3.10 113.55 116.07 2gmg h SER 9 Ca -0.39 -0.14 -0.24 0.00 -0.47 0.00 0.00 61.79 60.55 2gmg h SER 9 Cb 1.30 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2gmg h SER 9 CO 0.63 1.11 -0.97 0.00 -0.87 0.00 0.00 176.83 176.73 2gmg h ALA 10 N 0.87 0.30 0.14 5.18 0.00 -2.01 -3.30 119.26 120.44 2gmg h ALA 10 Ca -0.09 -0.71 -0.20 0.00 0.00 0.00 0.00 54.91 53.91 2gmg h ALA 10 Cb 1.86 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.68 2gmg h ALA 10 CO 0.14 0.78 -0.88 1.79 0.00 0.00 0.00 179.25 181.08 2gmg h THR 11 N 0.28 1.47 -0.99 0.00 1.35 -2.00 -3.25 112.91 109.77 2gmg h THR 11 Ca -0.09 -2.50 0.19 0.00 -0.55 0.00 0.00 66.41 63.46 2gmg h THR 11 Cb 1.61 3.10 -0.10 0.00 -1.73 0.00 0.00 68.15 71.04 2gmg h THR 11 CO 0.17 0.72 0.61 -0.09 -0.25 0.00 0.00 175.52 176.69 2gmg h ARG 12 N -0.26 0.68 -0.24 4.72 1.12 -1.70 -0.35 114.38 118.35 2gmg h ARG 12 Ca -0.15 -0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 58.50 2gmg h ARG 12 Cb 1.67 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.48 2gmg h ARG 12 CO 0.17 0.45 -0.56 0.00 -3.11 0.00 0.00 179.97 176.91 2gmg h ARG 13 N 0.70 0.73 -0.23 0.20 3.08 -1.71 -3.02 114.38 114.13 2gmg h ARG 13 Ca 0.55 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2gmg h ARG 13 Cb 0.95 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2gmg h ARG 13 CO -0.33 1.09 0.04 0.93 -1.07 0.00 0.00 179.97 180.63 2gmg h GLU 14 N 0.56 0.32 -0.14 0.04 5.08 -1.36 -2.93 114.58 116.15 2gmg h GLU 14 Ca 0.01 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2gmg h GLU 14 Cb 1.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2gmg h GLU 14 CO 0.12 0.31 -0.62 0.87 -1.00 0.00 0.00 179.01 178.69 2gmg h LYS 15 N 0.32 0.48 -0.13 2.33 1.57 -1.09 -3.12 116.57 116.93 2gmg h LYS 15 Ca 0.08 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2gmg h LYS 15 Cb 0.15 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2gmg h LYS 15 CO -0.00 0.95 0.07 0.82 -0.57 0.00 0.00 179.45 180.71 2gmg h ILE 16 N 0.35 1.00 0.00 1.86 2.04 -1.38 -2.71 117.51 118.67 2gmg h ILE 16 Ca -0.01 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2gmg h ILE 16 Cb 1.17 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 2gmg h ILE 16 CO 0.11 0.03 0.00 2.30 0.00 0.00 0.00 178.15 180.59 2gmg n ILE 17 N -5.03 0.27 -0.10 -0.67 -6.64 -1.17 -2.86 119.36 103.17 2gmg n ILE 17 Ca -0.04 0.07 -0.21 0.00 -1.77 0.00 0.00 62.75 60.79 2gmg n ILE 17 Cb 0.04 -0.73 -0.12 0.00 -1.44 0.00 0.00 39.64 37.39 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 -1.21 0.66 0.06 6.28 1.02 -1.04 -4.35 120.64 122.07 2gmg n GLU 18 Ca 0.11 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.31 2gmg n GLU 18 Cb 0.14 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 2gmg n GLU 18 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2gmg h LEU 19 N -0.21 0.38 -0.15 -4.62 8.10 -1.59 -3.38 115.31 113.83 2gmg h LEU 19 Ca -0.54 -0.53 0.00 0.00 0.11 0.00 0.00 57.88 56.92 2gmg h LEU 19 Cb 1.85 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 41.95 2gmg h LEU 19 CO -0.11 1.44 0.00 0.18 -4.11 0.00 0.00 178.44 175.84 2gmg n LEU 20 N -3.44 0.17 0.08 0.17 4.77 -1.14 -2.76 117.00 114.85 2gmg n LEU 20 Ca -0.16 0.54 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 2gmg n LEU 20 Cb 1.04 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2gmg n LEU 20 CO 0.50 -0.30 -0.02 0.25 -1.33 0.00 0.00 177.39 176.50 2gmg h LEU 21 N 0.00 0.00 0.00 2.23 5.85 -1.76 -3.22 115.31 118.41 2gmg h LEU 21 Ca 0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 2gmg h LEU 21 Cb 0.30 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2gmg h LEU 21 CO 0.00 0.29 -1.96 -0.62 -0.34 0.00 0.00 178.44 175.81 2gmg n GLU 22 N -2.85 0.66 -1.29 1.25 1.02 -1.17 -4.92 120.64 113.34 2gmg n GLU 22 Ca -0.04 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2gmg n GLU 22 Cb 0.69 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.58 2.81 3.14 0.62 0.00 -1.11 -5.17 105.19 107.06 2gmg n GLY 23 Ca -0.21 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.84 2.74 0.00 1.61 -4.77 -1.26 -4.42 116.67 109.73 2gmg s ASP 24 Ca 0.00 -0.50 0.01 0.00 -3.30 0.00 0.00 52.55 48.76 2gmg s ASP 24 Cb 0.00 -1.25 -0.01 0.00 -1.09 0.00 0.00 42.92 40.57 2gmg s ASP 24 CO 0.00 0.09 -0.05 -0.31 0.70 0.00 0.00 175.17 175.60 2gmg s TYR 25 N 0.65 0.40 0.67 2.11 2.02 -1.26 -5.05 117.35 116.88 2gmg s TYR 25 Ca -0.13 -0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.34 2gmg s TYR 25 Cb -0.16 -0.26 -0.00 0.00 -0.40 0.00 0.00 41.96 41.13 2gmg s TYR 25 CO 0.03 -0.02 1.06 -1.12 -1.57 0.00 0.00 175.55 173.93 2gmg s SER 26 N -0.24 5.51 0.21 2.29 0.01 -1.26 -4.29 113.70 115.93 2gmg s SER 26 Ca 0.00 1.65 -0.10 0.00 1.31 0.00 0.00 55.95 58.81 2gmg s SER 26 Cb -0.02 -2.50 0.30 0.00 0.21 0.00 0.00 66.02 64.00 2gmg s SER 26 CO -0.00 -1.35 1.67 -0.65 0.41 0.00 0.00 173.24 173.32 2gmg h PRO 27 N -0.44 0.15 -0.37 12.44 0.11 -1.96 -0.17 132.00 141.76 2gmg h PRO 27 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2gmg h PRO 27 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2gmg h PRO 27 CO 0.57 0.10 0.19 0.77 -0.21 0.00 0.00 178.00 179.42 2gmg h SER 28 N 0.16 0.44 0.20 -2.05 0.02 -1.95 -3.05 113.55 107.32 2gmg h SER 28 Ca 0.32 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.09 2gmg h SER 28 Cb 0.52 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2gmg h SER 28 CO -0.49 0.37 -0.60 -0.33 -1.14 0.00 0.00 176.83 174.64 2gmg h GLU 29 N 0.51 0.40 0.00 3.45 5.08 -1.57 -2.94 114.58 119.51 2gmg h GLU 29 Ca 0.13 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2gmg h GLU 29 Cb 0.03 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2gmg h GLU 29 CO -0.02 0.88 0.00 1.28 -1.00 0.00 0.00 179.01 180.15 2gmg n LEU 30 N -3.91 0.00 -0.08 1.33 4.77 -0.21 -2.92 117.00 115.99 2gmg n LEU 30 Ca -0.03 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2gmg n LEU 30 Cb 0.62 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 2gmg n LEU 30 CO 0.46 -0.10 -1.01 0.00 -1.33 0.00 0.00 177.39 175.41 2gmg n ALA 31 N -1.19 1.67 -0.12 -1.18 0.00 -1.13 -4.64 120.51 113.92 2gmg n ALA 31 Ca 0.08 -1.03 -0.12 0.00 0.00 0.00 0.00 53.44 52.38 2gmg n ALA 31 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 2gmg n ALA 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2gmg h ARG 32 N 0.00 0.73 -4.89 0.00 0.11 -1.40 -3.36 114.38 105.57 2gmg h ARG 32 Ca -0.41 -0.30 -0.71 0.00 0.10 0.00 0.00 59.98 58.66 2gmg h ARG 32 Cb 1.92 -0.03 -0.11 0.00 1.11 0.00 0.00 29.97 32.85 2gmg h ARG 32 CO 0.02 0.90 2.10 1.51 0.10 0.00 0.00 179.97 184.60 2gmg n ILE 33 N -4.34 4.00 -2.73 0.08 3.06 -1.22 -4.85 119.36 113.36 2gmg n ILE 33 Ca -0.02 -4.14 0.00 0.00 -2.50 0.00 0.00 62.75 56.10 2gmg n ILE 33 Cb 0.37 -2.43 0.00 0.00 0.54 0.00 0.00 39.64 38.12 2gmg n ILE 33 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2gmg n LEU 34 N 6.58 0.00 -4.42 9.51 7.94 -1.26 -4.99 117.00 130.37 2gmg n LEU 34 Ca 0.45 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.99 2gmg n LEU 34 Cb 0.42 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.25 2gmg n LEU 34 CO 0.76 0.00 -0.31 -1.81 -1.11 0.00 0.00 177.39 174.92 2gmg s ASP 35 N -4.00 4.91 0.08 1.96 1.01 -1.26 -5.04 116.67 114.32 2gmg s ASP 35 Ca 0.00 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.06 2gmg s ASP 35 Cb 0.00 -1.87 -0.23 0.00 1.01 0.00 0.00 42.92 41.83 2gmg s ASP 35 CO 0.00 -0.01 1.14 0.24 0.21 0.00 0.00 175.17 176.74 2gmg h MET 36 N 8.06 0.08 0.00 8.23 2.86 -1.95 -3.49 114.93 128.72 2gmg h MET 36 Ca -0.39 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2gmg h MET 36 Cb 1.17 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2gmg h MET 36 CO 0.59 1.00 0.00 -2.13 1.06 0.00 0.00 176.91 177.43 2gmg n ARG 37 N -3.36 0.00 0.00 1.72 0.63 -1.26 -4.54 116.66 109.85 2gmg n ARG 37 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2gmg n ARG 37 Cb 0.98 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.89 2gmg n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2gmg n GLY 38 N 0.00 4.31 3.37 5.14 0.00 -1.26 -5.17 105.19 111.58 2gmg n GLY 38 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 3.22 2.25 0.00 1.61 1.02 -1.26 -4.98 119.74 121.60 2gmg s LYS 39 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.14 2gmg s LYS 39 Cb 0.00 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2gmg s LYS 39 CO 0.00 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 2gmg n GLY 40 N 2.39 0.88 0.00 -3.33 0.00 -1.26 -5.12 105.19 98.75 2gmg n GLY 40 Ca -0.16 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 3.33 0.07 1.61 3.41 -1.26 -4.76 113.62 116.02 2gmg n SER 41 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2gmg n SER 41 Cb 0.00 0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.23 -0.09 4.33 1.57 -1.99 -2.90 116.57 117.26 2gmg h LYS 42 Ca 0.00 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2gmg h LYS 42 Cb 0.73 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2gmg h LYS 42 CO 0.00 0.19 -0.64 0.87 -0.57 0.00 0.00 179.45 179.30 2gmg h LYS 43 N -0.82 0.33 -0.20 3.15 1.57 -1.99 -2.77 116.57 115.85 2gmg h LYS 43 Ca -0.02 -0.24 -0.04 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 32.87 2gmg h LYS 43 CO 0.04 0.86 -0.05 0.28 -0.57 0.00 0.00 179.45 180.01 2gmg h VAL 44 N 0.24 1.29 -0.28 0.50 2.07 -1.86 -2.53 116.25 115.68 2gmg h VAL 44 Ca -0.01 -1.04 -0.15 0.00 0.82 0.00 0.00 66.70 66.32 2gmg h VAL 44 Cb 1.17 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2gmg h VAL 44 CO 0.10 0.31 -0.44 -0.29 0.02 0.00 0.00 177.57 177.28 2gmg h ILE 45 N 0.10 1.29 -0.30 4.57 6.09 -1.60 -2.61 117.51 125.06 2gmg h ILE 45 Ca 0.05 -1.63 -0.09 0.00 -1.37 0.00 0.00 64.86 61.82 2gmg h ILE 45 Cb 0.50 1.54 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 2gmg h ILE 45 CO 0.02 0.53 -0.21 -0.07 -3.07 0.00 0.00 178.15 175.35 2gmg h LEU 46 N 0.58 0.55 -0.38 2.19 -0.00 -1.56 -1.75 115.31 114.94 2gmg h LEU 46 Ca 0.04 -0.18 -0.16 0.00 -0.00 0.00 0.00 57.88 57.58 2gmg h LEU 46 Cb 1.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2gmg h LEU 46 CO 0.09 0.76 -0.77 -0.33 -0.00 0.00 0.00 178.44 178.20 2gmg h GLU 47 N 0.49 0.00 -0.30 1.13 5.08 -1.49 -3.18 114.58 116.31 2gmg h GLU 47 Ca 0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2gmg h GLU 47 Cb 0.63 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2gmg h GLU 47 CO 0.04 0.77 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.27 2gmg h ASP 48 N 0.00 0.48 -0.23 1.42 3.32 -1.33 -3.13 116.42 116.96 2gmg h ASP 48 Ca -0.01 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 2gmg h ASP 48 Cb 1.41 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 2gmg h ASP 48 CO 0.10 0.63 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.05 2gmg h LEU 49 N 0.47 0.63 -1.05 1.55 3.38 -1.33 -1.74 115.31 117.22 2gmg h LEU 49 Ca 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2gmg h LEU 49 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2gmg h LEU 49 CO 0.03 0.78 0.10 0.11 0.09 0.00 0.00 178.44 179.55 2gmg h LYS 50 N 0.58 0.78 0.03 1.13 1.57 -1.52 0.16 116.57 119.30 2gmg h LYS 50 Ca 0.10 -0.16 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 2gmg h LYS 50 Cb 0.56 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.78 2gmg h LYS 50 CO 0.04 0.72 -0.99 0.28 -0.57 0.00 0.00 179.45 178.93 2gmg h VAL 51 N 0.75 1.31 -0.28 0.50 2.07 -1.51 -3.34 116.25 115.76 2gmg h VAL 51 Ca 0.16 -2.26 -0.07 0.00 0.82 0.00 0.00 66.70 65.36 2gmg h VAL 51 Cb 0.31 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2gmg h VAL 51 CO 0.00 0.69 -0.08 0.40 0.02 0.00 0.00 177.57 178.60 2gmg h ILE 52 N 0.25 1.28 -0.41 4.57 2.04 -1.28 -3.29 117.51 120.68 2gmg h ILE 52 Ca -0.13 -1.12 0.10 0.00 1.00 0.00 0.00 64.86 64.71 2gmg h ILE 52 Cb 1.67 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 2gmg h ILE 52 CO 0.19 0.36 0.29 0.28 0.00 0.00 0.00 178.15 179.27 2gmg h SER 53 N 0.30 0.09 0.35 1.72 0.02 -1.11 0.13 113.55 115.06 2gmg h SER 53 Ca 0.07 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.76 2gmg h SER 53 Cb 0.57 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.10 2gmg h SER 53 CO 0.03 0.06 -1.11 0.11 -1.14 0.00 0.00 176.83 174.77 2gmg h LYS 54 N 0.11 0.44 0.13 3.45 1.57 -1.68 -3.32 116.57 117.26 2gmg h LYS 54 Ca 0.19 -0.57 -0.31 0.00 -1.87 0.00 0.00 60.65 58.09 2gmg h LYS 54 Cb 0.63 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 2gmg h LYS 54 CO -0.02 1.22 -1.55 -0.84 -0.57 0.00 0.00 179.45 177.69 2gmg h ILE 55 N 0.21 1.14 -0.19 1.86 -0.00 -1.52 -3.36 117.51 115.65 2gmg h ILE 55 Ca -0.13 -2.76 -0.02 0.00 -0.00 0.00 0.00 64.86 61.95 2gmg h ILE 55 Cb 1.78 2.77 -0.01 0.00 -0.00 0.00 0.00 36.82 41.36 2gmg h ILE 55 CO 0.20 0.82 0.05 0.00 -0.00 0.00 0.00 178.15 179.22 2gmg h ALA 56 N 0.44 1.74 0.00 0.16 0.00 -0.93 -2.24 119.26 118.43 2gmg h ALA 56 Ca -0.25 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 2gmg h ALA 56 Cb 2.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 2gmg h ALA 56 CO 0.17 0.21 -1.00 0.87 0.00 0.00 0.00 179.25 179.50 2gmg h LYS 57 N 0.26 0.00 0.00 0.00 1.57 -1.66 -0.31 116.57 116.43 2gmg h LYS 57 Ca 0.07 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 2gmg h LYS 57 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2gmg h LYS 57 CO -0.00 0.67 -0.73 0.00 -0.57 0.00 0.00 179.45 178.82 2gmg h ARG 58 N 0.00 0.00 -0.19 3.15 3.08 -1.67 -3.21 114.38 115.54 2gmg h ARG 58 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2gmg h ARG 58 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.71 2gmg h ARG 58 CO 0.09 0.73 0.00 -0.85 -1.07 0.00 0.00 179.97 178.87 2gmg n GLU 59 N -3.63 1.59 -2.36 0.04 0.28 -0.85 -4.96 120.64 110.75 2gmg n GLU 59 Ca -0.01 -0.90 -0.14 0.00 -0.16 0.00 0.00 57.16 55.95 2gmg n GLU 59 Cb 0.72 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 32.28 2gmg n GLU 59 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gmg n GLY 60 N 1.01 -0.16 3.49 -1.84 0.00 -1.21 -5.06 105.19 101.43 2gmg n GLY 60 Ca 0.13 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.80 2.27 -0.15 1.61 1.00 -0.13 -4.36 119.30 114.74 2gmg s MET 61 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 55.69 54.86 2gmg s MET 61 Cb -0.02 -2.30 -0.01 0.00 0.00 0.00 0.00 34.83 32.50 2gmg s MET 61 CO 0.05 0.57 -0.12 0.14 0.00 0.00 0.00 175.02 175.66 2gmg s VAL 62 N -0.91 3.01 -0.24 -6.03 -7.23 -0.93 -3.78 120.40 104.28 2gmg s VAL 62 Ca 0.15 -0.66 -0.12 0.00 -1.81 0.00 0.00 61.98 59.54 2gmg s VAL 62 Cb -0.11 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 2gmg s VAL 62 CO 0.05 0.50 0.24 -0.76 -0.31 0.00 0.00 175.10 174.82 2gmg s LEU 63 N 0.67 4.10 -0.23 1.32 1.43 -1.26 -1.54 118.68 123.17 2gmg s LEU 63 Ca -0.06 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.16 2gmg s LEU 63 Cb -0.15 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2gmg s LEU 63 CO 0.02 -0.01 0.07 -0.76 0.23 0.00 0.00 176.35 175.90 2gmg s LEU 64 N 1.31 3.51 -0.17 1.79 1.43 -0.69 -4.99 118.68 120.87 2gmg s LEU 64 Ca 0.11 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2gmg s LEU 64 Cb -0.14 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 2gmg s LEU 64 CO 0.07 0.01 -0.07 -0.63 0.23 0.00 0.00 176.35 175.96 2gmg s ILE 65 N 1.34 3.47 -0.00 -0.59 1.09 -1.25 -2.36 121.20 122.89 2gmg s ILE 65 Ca 0.05 -0.49 -0.28 0.00 -1.10 0.00 0.00 60.65 58.83 2gmg s ILE 65 Cb -0.15 -2.53 -0.04 0.00 -1.06 0.00 0.00 42.46 38.69 2gmg s ILE 65 CO 0.03 0.48 0.89 -0.54 -0.10 0.00 0.00 174.94 175.70 2gmg s LYS 66 N 0.75 4.54 0.11 2.79 1.02 -0.88 -4.92 119.74 123.14 2gmg s LYS 66 Ca -0.03 1.26 -0.31 0.00 0.02 0.00 0.00 55.97 56.91 2gmg s LYS 66 Cb -0.15 -3.44 -0.09 0.00 -0.52 0.00 0.00 37.83 33.62 2gmg s LYS 66 CO 0.02 0.02 1.72 -2.14 -0.92 0.00 0.00 175.35 174.05 2gmg s PRO 67 N 0.80 4.17 0.35 -1.68 0.02 -1.26 -3.84 135.00 133.57 2gmg s PRO 67 Ca 0.47 2.45 -0.28 0.00 0.02 0.00 0.00 61.00 63.66 2gmg s PRO 67 Cb -0.20 -3.53 -0.10 0.00 0.02 0.00 0.00 34.50 30.69 2gmg s PRO 67 CO 0.25 -0.77 1.32 0.00 -0.33 0.00 0.00 177.00 177.48 2gmg s ALA 68 N 2.46 3.44 0.03 -1.55 0.00 -1.23 -4.91 121.76 120.00 2gmg s ALA 68 Ca 0.76 1.28 0.00 0.00 0.00 0.00 0.00 51.96 54.00 2gmg s ALA 68 Cb -0.43 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 2gmg s ALA 68 CO 0.34 -0.72 -0.04 1.14 0.00 0.00 0.00 175.76 176.48 2gmg s GLN 69 N -1.93 0.44 -0.33 0.00 -2.07 -1.24 -1.89 119.66 112.65 2gmg s GLN 69 Ca 0.51 -0.80 -0.23 0.00 -1.82 0.00 0.00 55.36 53.02 2gmg s GLN 69 Cb -0.40 0.05 0.00 0.00 -1.09 0.00 0.00 33.01 31.57 2gmg s GLN 69 CO 0.53 -0.04 0.79 0.00 -1.32 0.00 0.00 175.29 175.24 2gmg n ARG 71 N 6.29 0.09 -0.06 0.00 1.74 -1.13 -2.38 116.66 121.21 2gmg n ARG 71 Ca 0.04 0.06 -0.22 0.00 -0.77 0.00 0.00 57.85 56.95 2gmg n ARG 71 Cb 0.48 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.21 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 -1.74 0.66 0.01 5.56 5.02 -1.26 -4.56 118.16 121.85 2gmg n LYS 72 Ca 0.06 0.41 0.11 0.00 -2.02 0.00 0.00 58.31 56.86 2gmg n LYS 72 Cb 0.37 -1.71 -0.13 0.00 -0.02 0.00 0.00 35.03 33.54 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 1.25 3.08 3.64 0.00 0.00 -1.00 -5.06 105.19 107.09 2gmg n GLY 74 Ca -0.04 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.51 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 1.90 -4.06 1.61 7.35 -1.23 -4.80 117.46 116.22 2gmg n PHE 75 Ca 0.00 0.47 -0.35 0.00 -0.76 0.00 0.00 57.45 56.81 2gmg n PHE 75 Cb 0.00 -2.43 -0.12 0.00 0.35 0.00 0.00 39.48 37.28 2gmg n PHE 75 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2gmg s VAL 76 N 0.38 4.04 0.02 -2.13 1.01 -1.26 -1.11 120.40 121.35 2gmg s VAL 76 Ca 0.77 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 2gmg s VAL 76 Cb -0.77 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2gmg s VAL 76 CO 0.45 0.43 0.22 -0.36 0.00 0.00 0.00 175.10 175.84 2gmg s PHE 77 N 0.97 3.54 0.36 5.22 0.40 -0.79 -5.01 117.98 122.68 2gmg s PHE 77 Ca 0.02 0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 56.46 2gmg s PHE 77 Cb -0.14 -1.86 -0.10 0.00 0.51 0.00 0.00 43.02 41.43 2gmg s PHE 77 CO 0.02 0.61 1.35 0.15 0.70 0.00 0.00 175.22 178.05 2gmg s LYS 78 N -2.07 4.18 -0.16 0.44 1.02 -1.26 -3.56 119.74 118.33 2gmg s LYS 78 Ca 0.30 2.29 -0.36 0.00 0.02 0.00 0.00 55.97 58.22 2gmg s LYS 78 Cb -0.13 -2.96 -0.13 0.00 -0.52 0.00 0.00 37.83 34.10 2gmg s LYS 78 CO 0.21 -0.36 1.85 0.00 -0.92 0.00 0.00 175.35 176.12 2gmg n ALA 79 N 0.52 0.54 -2.39 5.17 0.00 -1.26 -4.60 120.51 118.50 2gmg n ALA 79 Ca 0.01 0.31 -0.20 0.00 0.00 0.00 0.00 53.44 53.57 2gmg n ALA 79 Cb 0.42 -2.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.35 2gmg n ALA 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2gmg s GLU 80 N 3.97 1.45 0.00 0.00 2.02 -1.26 -5.02 118.70 119.85 2gmg s GLU 80 Ca 0.95 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2gmg s GLU 80 Cb -0.81 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 32.39 2gmg s GLU 80 CO 0.56 0.05 0.00 0.44 0.02 0.00 0.00 175.26 176.33 2gmg n ILE 81 N -0.50 0.00 -1.76 -1.63 -6.64 -1.26 -4.87 119.36 102.70 2gmg n ILE 81 Ca -0.06 0.00 -0.41 0.00 -1.77 0.00 0.00 62.75 60.51 2gmg n ILE 81 Cb 0.63 -0.64 -0.00 0.00 -1.44 0.00 0.00 39.64 38.18 2gmg n ILE 81 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2gmg n ASN 82 N -0.42 3.67 -4.75 7.28 5.15 -1.26 -5.02 115.26 119.90 2gmg n ASN 82 Ca 0.00 1.22 -0.37 0.00 -0.60 0.00 0.00 54.58 54.83 2gmg n ASN 82 Cb 0.00 -1.60 -0.07 0.00 -0.53 0.00 0.00 39.78 37.58 2gmg n ASN 82 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2gmg s ILE 83 N -1.00 5.28 0.36 -1.44 1.10 -1.26 -5.11 121.20 119.13 2gmg s ILE 83 Ca 0.55 0.57 -0.26 0.00 -0.51 0.00 0.00 60.65 61.00 2gmg s ILE 83 Cb -0.49 -3.63 -0.09 0.00 0.15 0.00 0.00 42.46 38.40 2gmg s ILE 83 CO 0.62 0.43 1.07 -2.84 -2.11 0.00 0.00 174.94 172.12 2gmg s PRO 84 N 0.15 4.29 0.41 3.50 0.02 -1.26 -5.01 135.00 137.11 2gmg s PRO 84 Ca 0.18 1.63 0.22 0.00 0.02 0.00 0.00 61.00 63.05 2gmg s PRO 84 Cb -0.13 -2.75 0.29 0.00 0.02 0.00 0.00 34.50 31.93 2gmg s PRO 84 CO 0.05 -0.05 1.57 0.77 -0.33 0.00 0.00 177.00 179.01 2gmg h SER 85 N 2.90 0.00 -4.83 2.53 0.02 -1.99 -3.47 113.55 108.72 2gmg h SER 85 Ca -0.48 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.33 2gmg h SER 85 Cb 1.22 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.54 2gmg h SER 85 CO 0.64 0.06 -0.46 -0.13 -1.14 0.00 0.00 176.83 175.80 2gmg s ARG 86 N -3.18 0.48 0.00 3.45 0.52 -1.26 -4.82 118.95 114.14 2gmg s ARG 86 Ca 0.06 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 2gmg s ARG 86 Cb 0.05 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.68 2gmg s ARG 86 CO 0.68 -0.11 1.24 0.00 0.02 0.00 0.00 175.30 177.13 2gmg h PRO 88 N 7.26 0.00 0.00 0.00 0.13 -2.00 -3.35 132.00 134.04 2gmg h PRO 88 Ca -0.38 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.62 2gmg h PRO 88 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2gmg h PRO 88 CO 0.86 0.06 -1.09 1.63 -0.23 0.00 0.00 178.00 179.23 2gmg n LYS 89 N -3.30 0.52 0.00 0.86 5.02 -1.26 -5.05 118.16 114.94 2gmg n LYS 89 Ca -0.01 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2gmg n LYS 89 Cb 0.24 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2gmg n LYS 89 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gmg n LYS 91 N 0.00 1.47 -1.97 0.00 5.02 -1.26 -4.80 118.16 116.62 2gmg n LYS 91 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2gmg n LYS 91 Cb 0.00 -0.12 -0.02 0.00 -0.02 0.00 0.00 35.03 34.87 2gmg n LYS 91 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2gmg s SER 92 N 0.00 6.60 0.00 4.39 0.01 -1.26 -4.66 113.70 118.78 2gmg s SER 92 Ca 0.00 2.72 0.20 0.00 1.31 0.00 0.00 55.95 60.18 2gmg s SER 92 Cb 0.00 -2.63 0.54 0.00 0.21 0.00 0.00 66.02 64.14 2gmg s SER 92 CO 0.00 -0.74 1.45 -0.62 0.41 0.00 0.00 173.24 173.74 2gmg n GLU 93 N 2.25 2.37 -3.26 12.44 1.02 -1.26 -3.71 120.64 130.49 2gmg n GLU 93 Ca 0.07 -2.11 -0.46 0.00 -0.02 0.00 0.00 57.16 54.64 2gmg n GLU 93 Cb 0.40 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.32 3.83 -0.06 -0.32 0.52 -1.26 -5.00 118.94 115.32 2gmg s TRP 94 Ca 0.40 -2.15 0.05 0.00 0.02 0.00 0.00 56.10 54.42 2gmg s TRP 94 Cb 0.21 -3.91 -0.01 0.00 -1.15 0.00 0.00 33.47 28.61 2gmg s TRP 94 CO 0.29 -1.06 -0.24 0.42 0.02 0.00 0.00 176.95 176.38 2gmg s ILE 95 N 0.11 1.97 -0.03 2.03 1.09 -1.26 -2.85 121.20 122.26 2gmg s ILE 95 Ca 0.25 -1.01 -0.23 0.00 -1.10 0.00 0.00 60.65 58.56 2gmg s ILE 95 Cb -0.09 -1.68 -0.04 0.00 -1.06 0.00 0.00 42.46 39.59 2gmg s ILE 95 CO -0.08 0.55 0.70 -1.61 -0.10 0.00 0.00 174.94 174.39 2gmg s GLU 96 N -0.04 4.43 0.12 2.79 2.02 -0.20 -4.97 118.70 122.85 2gmg s GLU 96 Ca -0.07 0.90 -0.30 0.00 0.02 0.00 0.00 54.97 55.52 2gmg s GLU 96 Cb -0.14 -3.41 -0.07 0.00 0.10 0.00 0.00 34.13 30.61 2gmg s GLU 96 CO 0.04 0.18 1.21 -1.21 0.02 0.00 0.00 175.26 175.51 2gmg s GLU 97 N 0.39 4.45 0.79 1.61 2.02 -1.26 -3.61 118.70 123.09 2gmg s GLU 97 Ca 0.36 1.84 -0.13 0.00 0.02 0.00 0.00 54.97 57.06 2gmg s GLU 97 Cb -0.18 -3.29 0.08 0.00 0.10 0.00 0.00 34.13 30.83 2gmg s GLU 97 CO 0.19 -0.19 1.21 -1.25 0.02 0.00 0.00 175.26 175.23 2gmg s PRO 98 N 0.48 1.72 -0.14 0.39 0.04 -1.26 -4.94 135.00 131.29 2gmg s PRO 98 Ca 0.57 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.32 2gmg s PRO 98 Cb -0.31 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2gmg s PRO 98 CO 0.32 -2.15 -0.03 1.03 0.04 0.00 0.00 177.00 176.22 2gmg s ARG 99 N -4.11 3.56 -0.20 4.56 0.52 -1.25 -4.69 118.95 117.34 2gmg s ARG 99 Ca 0.73 -0.50 -0.05 0.00 -0.52 0.00 0.00 55.73 55.40 2gmg s ARG 99 Cb -0.29 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 2gmg s ARG 99 CO 0.50 0.33 -0.01 -0.06 0.02 0.00 0.00 175.30 176.08 2gmg s PHE 100 N 0.14 3.04 0.03 -0.53 0.08 -1.26 -2.06 117.98 117.40 2gmg s PHE 100 Ca -0.01 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2gmg s PHE 100 Cb -0.13 -2.07 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2gmg s PHE 100 CO 0.03 -0.23 -0.05 0.15 -0.10 0.00 0.00 175.22 175.02 2gmg s LYS 101 N 0.94 0.39 -0.15 0.44 1.02 -0.99 -4.25 119.74 117.14 2gmg s LYS 101 Ca 0.01 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.38 2gmg s LYS 101 Cb -0.14 -0.07 -0.00 0.00 -0.52 0.00 0.00 37.83 37.09 2gmg s LYS 101 CO 0.02 -0.00 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.77 2gmg s LEU 102 N -1.41 2.44 -0.09 3.17 1.02 -1.22 -1.70 118.68 120.89 2gmg s LEU 102 Ca -0.12 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.59 2gmg s LEU 102 Cb -0.09 -1.54 -0.00 0.00 0.02 0.00 0.00 46.19 44.57 2gmg s LEU 102 CO -0.00 0.10 -0.23 -0.70 0.02 0.00 0.00 176.35 175.54 2gmg s GLU 103 N 0.72 2.98 -0.33 1.70 2.12 -0.59 -4.66 118.70 120.65 2gmg s GLU 103 Ca -0.07 -0.86 -0.14 0.00 0.36 0.00 0.00 54.97 54.25 2gmg s GLU 103 Cb -0.16 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.91 2gmg s GLU 103 CO 0.01 0.23 0.31 1.03 -0.54 0.00 0.00 175.26 176.30 2gmg s ARG 104 N 0.23 3.63 0.00 4.30 0.52 -1.26 -2.20 118.95 124.17 2gmg s ARG 104 Ca -0.15 -0.43 0.10 0.00 -0.52 0.00 0.00 55.73 54.73 2gmg s ARG 104 Cb -0.17 -3.78 0.08 0.00 0.52 0.00 0.00 34.95 31.60 2gmg s ARG 104 CO 0.08 -0.44 0.82 1.63 0.02 0.00 0.00 175.30 177.40