#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fmg s VAL 2 N 0.00 4.59 -0.29 1.69 1.01 -1.26 -4.38 120.40 121.76 3fmg s VAL 2 Ca 0.00 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.87 3fmg s VAL 2 Cb 0.00 -3.73 0.17 0.00 0.00 0.00 0.00 36.38 32.81 3fmg s VAL 2 CO 0.00 -0.69 1.14 0.00 0.00 0.00 0.00 175.10 175.54 3fmg s GLN 3 N -4.12 0.26 -0.16 2.72 -2.07 -0.02 -4.97 119.66 111.30 3fmg s GLN 3 Ca 0.57 0.40 -0.03 0.00 -1.82 0.00 0.00 55.36 54.48 3fmg s GLN 3 Cb -0.10 0.08 -0.02 0.00 -1.09 0.00 0.00 33.01 31.88 3fmg s GLN 3 CO 0.33 -0.05 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.68 3fmg s LEU 4 N 0.84 2.99 -0.19 2.60 1.43 -1.26 -1.24 118.68 123.85 3fmg s LEU 4 Ca -0.04 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3fmg s LEU 4 Cb -0.04 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.48 3fmg s LEU 4 CO -0.12 0.13 -0.17 -1.58 0.23 0.00 0.00 176.35 174.84 3fmg s GLN 5 N 0.61 3.08 0.36 1.70 0.74 -0.10 -3.99 119.66 122.06 3fmg s GLN 5 Ca -0.04 -0.79 -0.05 0.00 0.05 0.00 0.00 55.36 54.53 3fmg s GLN 5 Cb -0.15 -2.66 -0.05 0.00 1.10 0.00 0.00 33.01 31.25 3fmg s GLN 5 CO 0.03 -0.20 0.64 -0.65 -0.55 0.00 0.00 175.29 174.56 3fmg s GLN 6 N 1.32 3.61 1.21 1.67 -0.21 -1.26 -0.54 119.66 125.46 3fmg s GLN 6 Ca 0.05 0.06 -0.14 0.00 0.02 0.00 0.00 55.36 55.35 3fmg s GLN 6 Cb -0.13 -2.54 0.30 0.00 1.00 0.00 0.00 33.01 31.64 3fmg s GLN 6 CO -0.11 0.06 1.01 -1.54 -2.12 0.00 0.00 175.29 172.60 3fmg s SER 7 N -3.55 0.62 0.93 5.90 1.04 -0.08 -4.94 113.70 113.61 3fmg s SER 7 Ca 0.45 1.41 -0.12 0.00 0.48 0.00 0.00 55.95 58.17 3fmg s SER 7 Cb -0.10 -2.17 0.15 0.00 0.10 0.00 0.00 66.02 63.99 3fmg s SER 7 CO 0.35 -4.41 1.12 -0.83 0.98 0.00 0.00 173.24 170.45 3fmg s GLY 8 N -2.58 1.58 0.53 7.32 0.00 -1.26 -4.61 107.32 108.30 3fmg s GLY 8 Ca 0.69 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.76 3fmg s GLY 8 CO 0.64 0.11 1.09 0.00 0.00 0.00 0.00 173.10 174.94 3fmg s ALA 9 N -3.17 2.75 0.16 3.20 0.00 -1.26 -4.63 121.76 118.81 3fmg s ALA 9 Ca 0.64 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3fmg s ALA 9 Cb -0.16 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3fmg s ALA 9 CO 0.55 -0.64 0.17 -1.21 0.00 0.00 0.00 175.76 174.63 3fmg s GLU 10 N -3.40 1.09 -0.28 0.00 2.02 -0.28 -4.96 118.70 112.90 3fmg s GLU 10 Ca 0.69 -1.39 -0.02 0.00 0.02 0.00 0.00 54.97 54.27 3fmg s GLU 10 Cb -0.20 0.30 0.12 0.00 0.10 0.00 0.00 34.13 34.45 3fmg s GLU 10 CO 0.26 -0.36 0.21 -0.48 0.02 0.00 0.00 175.26 174.91 3fmg s LEU 11 N -3.05 0.13 0.56 1.80 0.05 -1.26 -2.28 118.68 114.63 3fmg s LEU 11 Ca 0.25 -0.97 -0.05 0.00 0.05 0.00 0.00 54.13 53.42 3fmg s LEU 11 Cb 0.06 0.10 0.00 0.00 -2.05 0.00 0.00 46.19 44.29 3fmg s LEU 11 CO 0.04 -0.41 0.86 -0.04 -0.55 0.00 0.00 176.35 176.25 3fmg s MET 12 N 2.24 3.01 0.07 1.48 -1.94 -0.97 -4.93 119.30 118.26 3fmg s MET 12 Ca 0.09 -0.05 -0.14 0.00 -1.71 0.00 0.00 55.69 53.87 3fmg s MET 12 Cb -0.15 -2.32 -0.06 0.00 2.01 0.00 0.00 34.83 34.30 3fmg s MET 12 CO -0.33 -0.58 0.48 0.15 -0.01 0.00 0.00 175.02 174.73 3fmg s LYS 13 N -4.90 3.96 -0.09 2.03 -0.14 -1.26 -2.27 119.74 117.07 3fmg s LYS 13 Ca 0.52 0.45 -0.37 0.00 -1.36 0.00 0.00 55.97 55.21 3fmg s LYS 13 Cb -0.10 -3.09 -0.15 0.00 -1.68 0.00 0.00 37.83 32.81 3fmg s LYS 13 CO 0.44 0.59 1.66 -2.30 -0.76 0.00 0.00 175.35 174.98 3fmg n PRO 14 N 1.30 1.53 0.00 -1.68 -0.02 -1.26 -1.69 135.00 133.19 3fmg n PRO 14 Ca -0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3fmg n PRO 14 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3fmg n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fmg n GLY 15 N 3.74 2.05 1.92 -1.23 0.00 -0.60 -4.96 105.19 106.10 3fmg n GLY 15 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 3fmg n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fmg n ALA 16 N -0.36 -1.13 -2.80 4.61 0.00 -0.68 -4.28 120.51 115.87 3fmg n ALA 16 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 53.44 52.42 3fmg n ALA 16 Cb 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 19.45 19.28 3fmg n ALA 16 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3fmg s LEU 17 N 0.00 2.18 0.34 0.00 2.34 -1.26 -1.66 118.68 120.63 3fmg s LEU 17 Ca 0.38 -0.42 0.08 0.00 0.06 0.00 0.00 54.13 54.23 3fmg s LEU 17 Cb -0.02 -0.27 -0.07 0.00 -0.56 0.00 0.00 46.19 45.27 3fmg s LEU 17 CO 0.27 -0.10 -0.06 0.54 -1.06 0.00 0.00 176.35 175.95 3fmg s VAL 18 N -0.98 2.03 -0.37 1.48 0.11 -1.14 -5.00 120.40 116.53 3fmg s VAL 18 Ca -0.05 -2.14 0.02 0.00 -2.93 0.00 0.00 61.98 56.88 3fmg s VAL 18 Cb -0.08 -2.68 0.11 0.00 -1.53 0.00 0.00 36.38 32.20 3fmg s VAL 18 CO 0.00 -0.17 0.13 -1.59 -3.33 0.00 0.00 175.10 170.14 3fmg s LYS 19 N -3.67 1.23 0.50 1.54 0.00 -1.26 -2.46 119.74 115.62 3fmg s LYS 19 Ca 0.33 -1.72 -0.04 0.00 0.00 0.00 0.00 55.97 54.54 3fmg s LYS 19 Cb 0.04 -2.62 -0.01 0.00 0.00 0.00 0.00 37.83 35.25 3fmg s LYS 19 CO 0.16 -1.02 0.78 0.42 0.00 0.00 0.00 175.35 175.68 3fmg s ILE 20 N 0.89 4.28 0.02 3.79 -1.09 -0.17 -4.94 121.20 123.97 3fmg s ILE 20 Ca 0.13 -0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 3fmg s ILE 20 Cb -0.20 -3.63 -0.00 0.00 -1.58 0.00 0.00 42.46 37.04 3fmg s ILE 20 CO -0.11 -0.57 0.12 -0.94 -1.23 0.00 0.00 174.94 172.20 3fmg s SER 21 N -4.19 0.09 -0.07 3.58 1.04 -1.26 -2.36 113.70 110.53 3fmg s SER 21 Ca 0.49 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.58 3fmg s SER 21 Cb -0.10 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.25 3fmg s SER 21 CO 0.42 -0.43 -0.05 0.00 0.98 0.00 0.00 173.24 174.17 3fmg s LYS 23 N 1.27 3.41 0.15 0.00 2.47 0.30 -0.70 119.74 126.64 3fmg s LYS 23 Ca -0.05 -0.64 -0.15 0.00 -1.56 0.00 0.00 55.97 53.58 3fmg s LYS 23 Cb -0.14 -2.85 -0.07 0.00 -1.46 0.00 0.00 37.83 33.31 3fmg s LYS 23 CO -0.02 0.01 0.57 0.00 0.16 0.00 0.00 175.35 176.06 3fmg s ALA 24 N 0.92 3.56 -0.24 3.13 0.00 0.45 -0.93 121.76 128.66 3fmg s ALA 24 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3fmg s ALA 24 Cb -0.15 -2.55 0.12 0.00 0.00 0.00 0.00 23.12 20.54 3fmg s ALA 24 CO 0.00 0.44 0.46 0.99 0.00 0.00 0.00 175.76 177.65 3fmg s THR 25 N -1.46 -0.72 0.00 0.00 2.01 -0.37 -4.93 115.64 110.16 3fmg s THR 25 Ca 0.38 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.44 3fmg s THR 25 Cb -0.15 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.56 3fmg s THR 25 CO 0.19 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 3fmg n GLY 26 N 5.40 1.32 3.65 4.40 0.00 -1.26 -0.84 105.19 117.86 3fmg n GLY 26 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3fmg n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fmg s TYR 27 N -2.00 -0.20 -0.65 1.61 -0.85 -1.26 -4.52 117.35 109.49 3fmg s TYR 27 Ca 0.00 -0.17 -0.26 0.00 -0.52 0.00 0.00 57.07 56.12 3fmg s TYR 27 Cb 0.00 0.55 -0.01 0.00 0.38 0.00 0.00 41.96 42.87 3fmg s TYR 27 CO 0.00 -1.05 1.77 0.99 -1.52 0.00 0.00 175.55 175.74 3fmg s THR 28 N -3.88 3.42 0.36 -3.49 2.01 -1.26 -4.87 115.64 107.94 3fmg s THR 28 Ca 0.09 0.20 0.17 0.00 0.31 0.00 0.00 61.69 62.47 3fmg s THR 28 Cb -0.03 -4.11 0.36 0.00 0.01 0.00 0.00 72.50 68.73 3fmg s THR 28 CO 0.00 -1.07 1.68 0.15 -0.69 0.00 0.00 174.62 174.69 3fmg h PHE 29 N 14.00 0.84 0.00 4.92 3.57 -1.95 -0.40 116.94 137.91 3fmg h PHE 29 Ca -0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.29 3fmg h PHE 29 Cb 1.14 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3fmg h PHE 29 CO 1.07 -0.12 0.00 0.77 -2.23 0.00 0.00 178.31 177.79 3fmg h SER 30 N 0.32 0.00 -0.21 0.41 0.02 -1.89 -3.32 113.55 108.88 3fmg h SER 30 Ca 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.67 3fmg h SER 30 Cb 1.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.29 3fmg h SER 30 CO -0.52 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 173.97 3fmg n SER 31 N -2.70 2.09 -3.90 3.07 7.64 -0.16 -4.70 113.62 114.96 3fmg n SER 31 Ca 0.02 -1.78 -0.11 0.00 1.01 0.00 0.00 58.87 58.01 3fmg n SER 31 Cb 0.32 -0.14 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 3fmg n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3fmg s TYR 32 N -1.73 0.07 0.42 1.43 2.02 -1.25 -4.96 117.35 113.35 3fmg s TYR 32 Ca 0.33 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.67 3fmg s TYR 32 Cb 0.19 -0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.60 3fmg s TYR 32 CO 0.27 -0.07 1.04 -1.58 -1.57 0.00 0.00 175.55 173.64 3fmg s TRP 33 N -0.48 3.22 -0.21 2.71 0.52 -1.25 -4.50 118.94 118.96 3fmg s TRP 33 Ca -0.05 1.63 -0.06 0.00 0.02 0.00 0.00 56.10 57.64 3fmg s TRP 33 Cb -0.03 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.17 3fmg s TRP 33 CO -0.00 -0.61 0.03 0.42 0.02 0.00 0.00 176.95 176.81 3fmg s ILE 34 N -1.77 4.18 0.30 2.03 -1.09 0.17 -0.88 121.20 124.14 3fmg s ILE 34 Ca 0.60 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.76 3fmg s ILE 34 Cb -0.20 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 3fmg s ILE 34 CO 0.25 0.42 0.53 -1.61 -1.23 0.00 0.00 174.94 173.29 3fmg s GLU 35 N 1.00 3.57 -0.14 2.79 8.01 0.13 -0.98 118.70 133.07 3fmg s GLU 35 Ca 0.02 -0.14 -0.03 0.00 0.01 0.00 0.00 54.97 54.83 3fmg s GLU 35 Cb -0.14 -2.67 0.05 0.00 -4.31 0.00 0.00 34.13 27.05 3fmg s GLU 35 CO 0.02 0.21 0.03 -1.58 0.01 0.00 0.00 175.26 173.96 3fmg s TRP 36 N -2.14 0.74 -0.06 1.61 0.52 -0.91 -2.21 118.94 116.49 3fmg s TRP 36 Ca 0.42 -0.50 0.04 0.00 0.02 0.00 0.00 56.10 56.08 3fmg s TRP 36 Cb -0.10 -0.88 -0.02 0.00 -1.15 0.00 0.00 33.47 31.32 3fmg s TRP 36 CO 0.32 -0.48 -0.16 0.08 0.02 0.00 0.00 176.95 176.72 3fmg s VAL 37 N 1.95 2.84 -0.14 4.03 1.01 -1.03 -0.10 120.40 128.97 3fmg s VAL 37 Ca 0.02 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 3fmg s VAL 37 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3fmg s VAL 37 CO -0.07 0.57 0.03 -0.75 0.00 0.00 0.00 175.10 174.89 3fmg s LYS 38 N -0.44 3.51 -0.26 2.72 2.20 0.94 -0.56 119.74 127.85 3fmg s LYS 38 Ca 0.05 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 3fmg s LYS 38 Cb -0.12 -3.01 0.08 0.00 -1.51 0.00 0.00 37.83 33.27 3fmg s LYS 38 CO 0.02 0.48 0.05 -1.14 -0.36 0.00 0.00 175.35 174.40 3fmg s GLN 39 N -0.23 0.85 0.24 4.03 0.74 0.16 -0.58 119.66 124.86 3fmg s GLN 39 Ca 0.07 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 54.58 3fmg s GLN 39 Cb -0.12 -2.14 -0.05 0.00 1.10 0.00 0.00 33.01 31.80 3fmg s GLN 39 CO 0.02 -0.82 0.47 1.03 -0.55 0.00 0.00 175.29 175.44 3fmg s ARG 40 N 1.65 3.58 0.30 1.67 0.52 -1.26 -1.31 118.95 124.10 3fmg s ARG 40 Ca 0.04 -0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 3fmg s ARG 40 Cb -0.17 -2.75 0.78 0.00 0.52 0.00 0.00 34.95 33.33 3fmg s ARG 40 CO -0.17 0.31 1.66 -1.00 0.02 0.00 0.00 175.30 176.13 3fmg h PRO 41 N 1.87 0.27 -1.22 3.54 0.13 -1.91 -2.93 132.00 131.75 3fmg h PRO 41 Ca -0.48 -0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 3fmg h PRO 41 Cb 1.19 -0.06 -0.42 0.00 0.13 0.00 0.00 31.00 31.84 3fmg h PRO 41 CO 0.67 0.18 -0.81 0.41 -0.23 0.00 0.00 178.00 178.22 3fmg n GLY 42 N -1.35 5.58 0.00 1.56 0.00 -1.26 -4.70 105.19 105.02 3fmg n GLY 42 Ca 0.23 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.70 3fmg n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fmg n HIS 43 N -0.51 0.00 -0.86 1.61 8.25 -1.11 -5.12 115.22 117.47 3fmg n HIS 43 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 3fmg n HIS 43 Cb 0.77 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.89 3fmg n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fmg n GLY 44 N 0.00 2.61 3.12 -1.41 0.00 -1.25 -4.64 105.19 103.61 3fmg n GLY 44 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 3fmg n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fmg s LEU 45 N 0.00 1.90 -0.11 0.99 1.43 -1.26 -4.06 118.68 117.56 3fmg s LEU 45 Ca 0.00 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3fmg s LEU 45 Cb 0.00 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 3fmg s LEU 45 CO 0.00 0.07 -0.07 -1.61 0.23 0.00 0.00 176.35 174.97 3fmg s GLU 46 N 0.70 3.22 0.13 1.70 2.02 0.25 -4.95 118.70 121.78 3fmg s GLU 46 Ca -0.12 -0.57 -0.26 0.00 0.02 0.00 0.00 54.97 54.05 3fmg s GLU 46 Cb -0.16 -2.72 -0.07 0.00 0.10 0.00 0.00 34.13 31.28 3fmg s GLU 46 CO 0.02 0.41 0.80 -0.46 0.02 0.00 0.00 175.26 176.05 3fmg s TRP 47 N -0.13 3.86 -0.19 1.61 -0.00 -1.26 -0.04 118.94 122.77 3fmg s TRP 47 Ca 0.01 1.62 -0.05 0.00 -0.00 0.00 0.00 56.10 57.68 3fmg s TRP 47 Cb -0.13 -2.82 -0.10 0.00 -0.00 0.00 0.00 33.47 30.42 3fmg s TRP 47 CO 0.03 0.42 -0.21 -0.89 -0.00 0.00 0.00 176.95 176.29 3fmg n ILE 48 N 2.03 1.06 -3.52 5.86 5.41 0.85 -4.75 119.36 126.31 3fmg n ILE 48 Ca -0.04 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.38 3fmg n ILE 48 Cb 0.49 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 3fmg n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fmg n GLY 49 N 2.14 -1.02 3.39 7.39 0.00 -1.23 -0.92 105.19 114.94 3fmg n GLY 49 Ca -0.36 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 3fmg n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fmg s GLU 50 N -1.04 1.18 -0.02 1.61 -1.05 -0.19 -2.15 118.70 117.05 3fmg s GLU 50 Ca 0.00 -0.83 -0.07 0.00 -0.15 0.00 0.00 54.97 53.92 3fmg s GLU 50 Cb 0.00 0.47 0.01 0.00 -0.44 0.00 0.00 34.13 34.17 3fmg s GLU 50 CO 0.00 -0.47 0.15 -1.50 0.95 0.00 0.00 175.26 174.39 3fmg s ILE 51 N -3.85 0.06 -0.44 1.83 2.07 -0.15 -1.86 121.20 118.86 3fmg s ILE 51 Ca 0.07 -0.46 -0.03 0.00 -1.41 0.00 0.00 60.65 58.82 3fmg s ILE 51 Cb 0.01 -0.37 0.12 0.00 0.13 0.00 0.00 42.46 42.35 3fmg s ILE 51 CO -0.07 -0.26 0.23 -0.22 -1.91 0.00 0.00 174.94 172.72 3fmg s LEU 52 N -0.90 5.25 0.28 8.50 2.96 0.47 0.44 118.68 135.69 3fmg s LEU 52 Ca -0.10 -2.14 -0.30 0.00 -0.22 0.00 0.00 54.13 51.38 3fmg s LEU 52 Cb -0.05 -1.83 -0.10 0.00 0.50 0.00 0.00 46.19 44.70 3fmg s LEU 52 CO 0.01 -0.52 1.46 -2.16 -1.32 0.00 0.00 176.35 173.82 3fmg s PRO 53 N 0.99 4.23 0.00 0.98 0.04 -1.26 0.54 135.00 140.51 3fmg s PRO 53 Ca 0.09 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3fmg s PRO 53 Cb -0.23 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3fmg s PRO 53 CO -0.04 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.97 3fmg n GLY 55 N 1.83 1.82 0.24 0.56 0.00 -1.26 -4.47 105.19 103.89 3fmg n GLY 55 Ca 0.06 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 3fmg n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3fmg h SER 56 N 0.00 0.69 0.00 1.61 0.87 -1.85 -3.47 113.55 111.40 3fmg h SER 56 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3fmg h SER 56 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 3fmg h SER 56 CO 0.00 0.59 0.00 0.61 -0.53 0.00 0.00 176.83 177.50 3fmg n GLY 57 N -1.02 0.98 3.77 5.77 0.00 0.19 -5.07 105.19 109.81 3fmg n GLY 57 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3fmg n GLY 57 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fmg s SER 58 N -2.01 6.24 0.01 1.61 0.01 -1.19 -4.73 113.70 113.64 3fmg s SER 58 Ca 0.00 2.87 0.00 0.00 1.31 0.00 0.00 55.95 60.13 3fmg s SER 58 Cb 0.00 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 3fmg s SER 58 CO 0.00 -0.92 -0.03 -0.63 0.41 0.00 0.00 173.24 172.08 3fmg s ILE 59 N -1.18 0.14 -0.03 1.44 1.01 -1.26 -0.39 121.20 120.92 3fmg s ILE 59 Ca 0.56 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 3fmg s ILE 59 Cb -0.43 -0.20 0.03 0.00 0.01 0.00 0.00 42.46 41.87 3fmg s ILE 59 CO 0.56 -0.21 0.03 0.20 0.00 0.00 0.00 174.94 175.52 3fmg s ASN 60 N -0.71 0.66 -0.11 3.58 0.01 -0.78 -5.00 114.94 112.61 3fmg s ASN 60 Ca -0.07 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 3fmg s ASN 60 Cb -0.05 -0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.41 3fmg s ASN 60 CO -0.00 -0.16 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.00 3fmg s TYR 61 N 1.49 2.84 0.17 2.20 4.12 -1.26 -1.02 117.35 125.89 3fmg s TYR 61 Ca -0.04 -0.38 -0.32 0.00 0.02 0.00 0.00 57.07 56.36 3fmg s TYR 61 Cb -0.13 -1.79 -0.10 0.00 -1.52 0.00 0.00 41.96 38.42 3fmg s TYR 61 CO -0.03 -0.01 1.58 1.21 0.02 0.00 0.00 175.55 178.31 3fmg s ASN 62 N -0.06 6.57 0.46 2.29 3.84 -0.09 -4.82 114.94 123.12 3fmg s ASN 62 Ca -0.02 2.64 0.31 0.00 0.21 0.00 0.00 52.86 56.01 3fmg s ASN 62 Cb -0.14 -2.60 1.42 0.00 -0.55 0.00 0.00 41.25 39.39 3fmg s ASN 62 CO 0.03 -0.83 1.66 -0.08 -2.79 0.00 0.00 177.10 175.10 3fmg h GLU 63 N 6.73 0.12 0.00 0.43 4.57 -1.95 0.09 114.58 124.57 3fmg h GLU 63 Ca -0.43 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3fmg h GLU 63 Cb 1.20 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3fmg h GLU 63 CO 0.91 0.08 0.00 1.63 -1.18 0.00 0.00 179.01 180.45 3fmg n LYS 64 N -4.53 0.28 0.00 1.92 5.02 -1.26 -3.48 118.16 116.10 3fmg n LYS 64 Ca 0.35 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3fmg n LYS 64 Cb 1.38 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 3fmg n LYS 64 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3fmg n PHE 65 N -1.32 0.00 -0.22 2.13 3.01 0.01 -4.84 117.46 116.24 3fmg n PHE 65 Ca 0.10 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.59 3fmg n PHE 65 Cb 0.19 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.73 3fmg n PHE 65 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fmg n LYS 66 N -0.87 -0.07 0.06 -1.08 5.02 -1.16 0.44 118.16 120.49 3fmg n LYS 66 Ca 0.00 0.94 -0.12 0.00 -2.02 0.00 0.00 58.31 57.11 3fmg n LYS 66 Cb 0.00 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 3fmg n LYS 66 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3fmg h GLY 67 N 0.00 0.47 0.32 0.72 0.00 -1.88 -3.38 103.07 99.32 3fmg h GLY 67 Ca 0.27 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3fmg h GLY 67 CO -0.62 0.67 -0.05 1.70 0.00 0.00 0.00 176.54 178.24 3fmg h LYS 68 N 0.26 0.04 -5.87 4.80 3.64 -0.33 -3.44 116.57 115.66 3fmg h LYS 68 Ca -0.06 -0.04 -0.63 0.00 -1.27 0.00 0.00 60.65 58.65 3fmg h LYS 68 Cb 1.46 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.24 3fmg h LYS 68 CO 0.15 0.76 -0.51 0.00 -2.27 0.00 0.00 179.45 177.58 3fmg s ALA 69 N -3.32 3.93 -0.19 5.00 0.00 -0.53 -1.12 121.76 125.53 3fmg s ALA 69 Ca -0.17 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 3fmg s ALA 69 Cb -0.00 -1.82 0.09 0.00 0.00 0.00 0.00 23.12 21.39 3fmg s ALA 69 CO 0.69 0.77 0.25 0.95 0.00 0.00 0.00 175.76 178.42 3fmg s THR 70 N -1.38 -0.38 0.31 0.00 -4.23 -1.03 -4.75 115.64 104.19 3fmg s THR 70 Ca 0.29 -0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.69 3fmg s THR 70 Cb -0.13 -0.64 -0.07 0.00 1.34 0.00 0.00 72.50 73.01 3fmg s THR 70 CO 0.21 -0.12 0.64 -0.36 -0.54 0.00 0.00 174.62 174.45 3fmg s PHE 71 N 2.37 3.45 0.23 3.99 0.08 -1.26 -2.07 117.98 124.76 3fmg s PHE 71 Ca 0.07 0.89 -0.13 0.00 0.12 0.00 0.00 56.93 57.88 3fmg s PHE 71 Cb -0.15 -2.30 -0.00 0.00 -0.57 0.00 0.00 43.02 40.00 3fmg s PHE 71 CO -0.12 0.10 0.45 0.95 -0.10 0.00 0.00 175.22 176.50 3fmg s THR 72 N -2.10 0.01 -0.19 0.64 -4.23 -0.57 -5.00 115.64 104.20 3fmg s THR 72 Ca 0.48 -1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 59.48 3fmg s THR 72 Cb -0.11 -2.07 0.05 0.00 1.34 0.00 0.00 72.50 71.72 3fmg s THR 72 CO 0.27 -0.06 0.52 0.00 -0.54 0.00 0.00 174.62 174.80 3fmg s ALA 73 N -3.99 -1.28 -0.22 3.99 0.00 -1.26 -0.80 121.76 118.19 3fmg s ALA 73 Ca 0.20 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 3fmg s ALA 73 Cb 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 3fmg s ALA 73 CO 0.06 -0.25 -0.05 0.34 0.00 0.00 0.00 175.76 175.86 3fmg s ASP 74 N 0.35 4.24 0.09 0.00 3.68 -0.31 -4.89 116.67 119.84 3fmg s ASP 74 Ca -0.01 -0.46 -0.08 0.00 2.13 0.00 0.00 52.55 54.13 3fmg s ASP 74 Cb -0.04 -1.72 -0.20 0.00 -1.45 0.00 0.00 42.92 39.52 3fmg s ASP 74 CO -0.00 -0.03 1.21 0.71 0.13 0.00 0.00 175.17 177.18 3fmg h THR 75 N 5.77 1.38 -0.14 1.71 1.35 -1.98 -0.81 112.91 120.20 3fmg h THR 75 Ca -0.41 -2.57 -0.06 0.00 -0.55 0.00 0.00 66.41 62.83 3fmg h THR 75 Cb 1.15 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 70.17 3fmg h THR 75 CO 0.60 0.77 -0.17 0.77 -0.25 0.00 0.00 175.52 177.24 3fmg h SER 76 N 0.22 0.22 0.58 5.36 4.64 -1.97 -3.04 113.55 119.56 3fmg h SER 76 Ca -0.13 -0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 60.87 3fmg h SER 76 Cb 1.76 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 63.75 3fmg h SER 76 CO 0.20 0.41 -1.58 -1.28 -0.87 0.00 0.00 176.83 173.71 3fmg h SER 77 N 0.21 0.00 -1.81 4.97 0.87 -1.98 -3.48 113.55 112.32 3fmg h SER 77 Ca 0.04 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 3fmg h SER 77 Cb 0.44 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3fmg h SER 77 CO 0.03 0.97 -0.21 0.59 -0.53 0.00 0.00 176.83 177.68 3fmg n ASN 78 N -3.08 -3.08 -3.95 6.23 4.13 -0.33 -4.88 115.26 110.30 3fmg n ASN 78 Ca -0.14 -0.09 -0.16 0.00 1.68 0.00 0.00 54.58 55.86 3fmg n ASN 78 Cb 1.02 -2.03 -0.15 0.00 -1.54 0.00 0.00 39.78 37.09 3fmg n ASN 78 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3fmg s THR 79 N -2.72 0.44 -0.08 3.41 -4.23 -1.07 -0.41 115.64 110.97 3fmg s THR 79 Ca 0.10 -0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.38 3fmg s THR 79 Cb -0.04 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.38 3fmg s THR 79 CO 0.12 0.14 0.00 0.00 -0.54 0.00 0.00 174.62 174.34 3fmg s ALA 80 N 0.03 3.28 0.07 3.99 0.00 0.12 -1.16 121.76 128.10 3fmg s ALA 80 Ca 0.00 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.24 3fmg s ALA 80 Cb -0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3fmg s ALA 80 CO -0.00 0.59 -0.26 0.71 0.00 0.00 0.00 175.76 176.80 3fmg s TYR 81 N -0.90 2.34 -0.03 0.00 2.02 0.02 -0.82 117.35 119.97 3fmg s TYR 81 Ca 0.14 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 3fmg s TYR 81 Cb -0.11 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3fmg s TYR 81 CO 0.03 0.21 -0.18 1.41 -1.57 0.00 0.00 175.55 175.45 3fmg s MET 82 N -1.55 1.75 -0.13 -0.62 -2.45 -0.99 -1.52 119.30 113.80 3fmg s MET 82 Ca 0.13 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.92 3fmg s MET 82 Cb -0.10 -1.57 0.02 0.00 1.25 0.00 0.00 34.83 34.43 3fmg s MET 82 CO 0.04 0.31 -0.11 -1.14 1.05 0.00 0.00 175.02 175.16 3fmg s GLN 83 N -0.14 1.91 -0.34 4.11 0.74 -0.88 -1.00 119.66 124.06 3fmg s GLN 83 Ca -0.00 -0.41 -0.18 0.00 0.05 0.00 0.00 55.36 54.82 3fmg s GLN 83 Cb -0.10 -1.81 -0.01 0.00 1.10 0.00 0.00 33.01 32.19 3fmg s GLN 83 CO 0.01 -0.22 0.48 -0.51 -0.55 0.00 0.00 175.29 174.50 3fmg s LEU 84 N 1.51 4.33 0.23 3.68 1.43 -1.03 -2.48 118.68 126.36 3fmg s LEU 84 Ca 0.03 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 3fmg s LEU 84 Cb -0.13 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 3fmg s LEU 84 CO -0.08 -0.44 0.58 0.20 0.23 0.00 0.00 176.35 176.84 3fmg s ASN 85 N 1.74 6.69 -1.06 2.29 0.01 -0.28 -2.90 114.94 121.44 3fmg s ASN 85 Ca 0.18 1.01 -0.18 0.00 -0.71 0.00 0.00 52.86 53.16 3fmg s ASN 85 Cb -0.16 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.25 3fmg s ASN 85 CO 0.13 -0.06 0.74 -1.20 -1.51 0.00 0.00 177.10 175.19 3fmg n SER 86 N -0.00 -5.33 -4.66 -1.22 7.64 -1.21 -4.82 113.62 104.02 3fmg n SER 86 Ca -0.00 -0.96 -0.44 0.00 1.01 0.00 0.00 58.87 58.48 3fmg n SER 86 Cb 0.52 -3.02 -0.01 0.00 -1.01 0.00 0.00 64.21 60.69 3fmg n SER 86 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fmg n LEU 87 N -3.81 2.94 -4.40 -3.43 4.77 -0.66 -4.71 117.00 107.69 3fmg n LEU 87 Ca -0.12 1.18 -0.25 0.00 -0.03 0.00 0.00 56.01 56.79 3fmg n LEU 87 Cb 0.59 -1.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.16 3fmg n LEU 87 CO 0.66 -0.74 -0.51 -0.89 -1.33 0.00 0.00 177.39 174.58 3fmg s THR 89 N -0.79 2.20 0.55 -5.08 2.01 -1.26 -1.56 115.64 111.71 3fmg s THR 89 Ca 0.60 -2.04 0.26 0.00 0.31 0.00 0.00 61.69 60.82 3fmg s THR 89 Cb -0.63 -2.06 0.26 0.00 0.01 0.00 0.00 72.50 70.08 3fmg s THR 89 CO 0.58 -0.21 1.78 0.77 -0.69 0.00 0.00 174.62 176.85 3fmg h SER 90 N 3.11 0.00 -0.63 3.53 4.64 -1.96 0.24 113.55 122.49 3fmg h SER 90 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3fmg h SER 90 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fmg h SER 90 CO 0.50 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.84 3fmg n GLU 91 N -2.73 3.37 0.00 4.77 1.02 -1.26 -3.73 120.64 122.08 3fmg n GLU 91 Ca -0.02 -2.65 0.11 0.00 -0.02 0.00 0.00 57.16 54.59 3fmg n GLU 91 Cb 0.39 -1.80 0.05 0.00 -0.02 0.00 0.00 31.44 30.07 3fmg n GLU 91 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3fmg n ASP 92 N 1.16 0.76 -4.67 1.62 8.00 0.85 -4.88 116.55 119.39 3fmg n ASP 92 Ca 0.24 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 3fmg n ASP 92 Cb 0.79 0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 42.53 3fmg n ASP 92 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3fmg s SER 93 N -3.04 6.50 0.00 -2.24 0.01 -1.24 -4.86 113.70 108.83 3fmg s SER 93 Ca 0.09 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.94 3fmg s SER 93 Cb 0.17 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.85 3fmg s SER 93 CO 0.79 -1.00 0.00 0.00 0.41 0.00 0.00 173.24 173.44 3fmg n ALA 94 N 6.79 0.00 -2.81 1.44 0.00 -0.57 -4.86 120.51 120.50 3fmg n ALA 94 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 3fmg n ALA 94 Cb 0.41 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 3fmg n ALA 94 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fmg s VAL 95 N -2.51 4.87 -0.13 0.00 1.01 -0.43 -1.80 120.40 121.41 3fmg s VAL 95 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3fmg s VAL 95 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3fmg s VAL 95 CO 0.00 0.49 -0.12 -0.31 0.00 0.00 0.00 175.10 175.16 3fmg s TYR 96 N 0.11 2.84 0.40 5.22 2.02 -0.33 0.36 117.35 127.98 3fmg s TYR 96 Ca 0.06 -0.58 0.08 0.00 -0.37 0.00 0.00 57.07 56.25 3fmg s TYR 96 Cb -0.12 -1.85 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 3fmg s TYR 96 CO 0.00 -0.18 0.24 0.71 -1.57 0.00 0.00 175.55 174.76 3fmg s TYR 97 N 0.32 2.66 -0.14 2.71 1.51 0.28 -0.57 117.35 124.11 3fmg s TYR 97 Ca -0.10 -0.52 -0.04 0.00 -1.01 0.00 0.00 57.07 55.40 3fmg s TYR 97 Cb -0.16 -1.99 0.07 0.00 -0.11 0.00 0.00 41.96 39.77 3fmg s TYR 97 CO 0.05 0.10 0.19 0.00 -1.11 0.00 0.00 175.55 174.78 3fmg s ALA 99 N 2.30 2.73 -0.20 0.00 0.00 -0.94 -0.24 121.76 125.42 3fmg s ALA 99 Ca 0.04 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.15 3fmg s ALA 99 Cb -0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3fmg s ALA 99 CO -0.09 0.39 0.56 0.50 0.00 0.00 0.00 175.76 177.13 3fmg s ARG 100 N -2.98 4.20 -0.37 0.00 3.52 0.62 0.21 118.95 124.14 3fmg s ARG 100 Ca 0.25 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 56.05 3fmg s ARG 100 Cb -0.07 -3.57 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3fmg s ARG 100 CO 0.13 -0.18 1.31 1.21 -0.81 0.00 0.00 175.30 176.96 3fmg s ASN 101 N 1.17 6.55 0.94 -2.12 3.84 -0.06 -2.09 114.94 123.17 3fmg s ASN 101 Ca 0.26 0.94 -0.17 0.00 0.21 0.00 0.00 52.86 54.09 3fmg s ASN 101 Cb -0.16 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 3fmg s ASN 101 CO 0.10 -1.23 -0.45 1.57 -2.79 0.00 0.00 177.10 174.30 3fmg n HIS 102 N 8.07 -1.58 -0.35 0.43 -0.00 -0.97 -3.80 115.22 117.02 3fmg n HIS 102 Ca 0.15 0.38 0.00 0.00 -0.00 0.00 0.00 57.72 58.25 3fmg n HIS 102 Cb 0.47 -1.42 0.00 0.00 -0.00 0.00 0.00 29.99 29.04 3fmg n HIS 102 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3fmg n GLY 103 N 2.80 -1.54 0.23 1.57 0.00 -1.26 -4.70 105.19 102.29 3fmg n GLY 103 Ca 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.49 3fmg n GLY 103 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3fmg h SER 104 N -0.21 0.01 0.00 1.61 0.87 -1.95 -3.22 113.55 110.66 3fmg h SER 104 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3fmg h SER 104 Cb 0.00 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3fmg h SER 104 CO 0.00 0.01 0.00 -2.65 -0.53 0.00 0.00 176.83 173.66 3fmg n PRO 105 N -5.13 0.00 -3.91 2.24 -0.02 -1.26 -4.04 135.00 122.88 3fmg n PRO 105 Ca 0.09 0.30 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 3fmg n PRO 105 Cb 0.32 -0.57 -0.14 0.00 -0.02 0.00 0.00 33.50 33.09 3fmg n PRO 105 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fmg s ASP 106 N -1.77 4.90 0.35 2.55 1.01 -1.22 -5.10 116.67 117.39 3fmg s ASP 106 Ca 0.00 -1.47 -0.27 0.00 0.71 0.00 0.00 52.55 51.52 3fmg s ASP 106 Cb 0.00 -1.71 -0.09 0.00 1.01 0.00 0.00 42.92 42.13 3fmg s ASP 106 CO 0.00 -0.31 1.13 -0.36 0.21 0.00 0.00 175.17 175.84 3fmg s PHE 107 N 1.19 3.30 -1.02 4.23 0.40 -1.26 -3.91 117.98 120.91 3fmg s PHE 107 Ca -0.02 1.62 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 3fmg s PHE 107 Cb -0.20 -3.33 0.00 0.00 0.51 0.00 0.00 43.02 40.00 3fmg s PHE 107 CO -0.02 -0.94 0.00 0.72 0.70 0.00 0.00 175.22 175.68 3fmg n HIS 108 N 0.53 0.00 -3.44 0.36 8.25 -1.26 -4.99 115.22 114.67 3fmg n HIS 108 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 3fmg n HIS 108 Cb 0.46 -2.16 -0.10 0.00 1.12 0.00 0.00 29.99 29.31 3fmg n HIS 108 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3fmg s VAL 109 N -2.13 5.22 -0.32 1.59 1.01 -1.25 -4.96 120.40 119.55 3fmg s VAL 109 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 3fmg s VAL 109 Cb 0.00 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3fmg s VAL 109 CO 0.00 -0.22 1.02 0.00 0.00 0.00 0.00 175.10 175.90 3fmg s MET 110 N 1.83 4.03 -0.10 2.72 0.23 -1.26 -2.29 119.30 124.46 3fmg s MET 110 Ca 0.08 0.95 0.13 0.00 -1.03 0.00 0.00 55.69 55.82 3fmg s MET 110 Cb -0.18 -3.74 -0.24 0.00 -1.53 0.00 0.00 34.83 29.14 3fmg s MET 110 CO 0.11 -0.88 0.46 -0.40 -2.03 0.00 0.00 175.02 172.28 3fmg n ASP 111 N 6.77 0.68 -4.12 -1.18 5.68 -0.89 -4.89 116.55 118.60 3fmg n ASP 111 Ca 0.10 0.27 -0.30 0.00 -0.50 0.00 0.00 54.79 54.37 3fmg n ASP 111 Cb 0.47 0.22 -0.17 0.00 -1.14 0.00 0.00 41.12 40.50 3fmg n ASP 111 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3fmg s TYR 112 N -2.56 2.26 0.03 2.11 1.51 -1.26 -4.98 117.35 114.46 3fmg s TYR 112 Ca -0.07 -1.06 0.02 0.00 -1.01 0.00 0.00 57.07 54.95 3fmg s TYR 112 Cb 0.07 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 3fmg s TYR 112 CO 0.82 -0.50 0.02 -1.58 -1.11 0.00 0.00 175.55 173.20 3fmg s TRP 113 N 0.81 3.10 0.49 2.71 0.52 -1.26 -0.28 118.94 125.03 3fmg s TRP 113 Ca -0.09 0.07 -0.08 0.00 0.02 0.00 0.00 56.10 56.02 3fmg s TRP 113 Cb -0.16 -1.64 0.12 0.00 -1.15 0.00 0.00 33.47 30.64 3fmg s TRP 113 CO 0.00 0.49 0.40 0.41 0.02 0.00 0.00 176.95 178.27 3fmg n GLY 114 N 1.04 -2.80 0.10 0.98 0.00 0.67 -4.59 105.19 100.59 3fmg n GLY 114 Ca -0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 3fmg n GLY 114 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3fmg h GLN 115 N 0.00 0.00 0.00 1.61 -0.00 -1.89 -3.46 115.11 111.37 3fmg h GLN 115 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 3fmg h GLN 115 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 3fmg h GLN 115 CO 0.10 0.47 0.00 0.41 -0.00 0.00 0.00 178.83 179.82 3fmg n GLY 116 N 1.37 2.82 3.90 0.06 0.00 -1.26 -5.05 105.19 107.02 3fmg n GLY 116 Ca -0.06 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 3fmg n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fmg s THR 117 N 0.00 5.04 -0.10 2.61 2.01 0.26 -4.93 115.64 120.53 3fmg s THR 117 Ca 0.00 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.17 3fmg s THR 117 Cb 0.00 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.92 3fmg s THR 117 CO 0.00 -0.12 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.12 3fmg s SER 118 N -3.27 2.30 -0.03 3.53 0.15 -1.26 -1.18 113.70 113.94 3fmg s SER 118 Ca 0.33 -0.39 0.07 0.00 0.70 0.00 0.00 55.95 56.66 3fmg s SER 118 Cb -0.10 -1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 63.17 3fmg s SER 118 CO 0.27 -0.00 -0.24 -0.63 1.20 0.00 0.00 173.24 173.84 3fmg s ILE 119 N 1.04 2.22 -0.16 6.45 1.01 -0.74 -1.12 121.20 129.90 3fmg s ILE 119 Ca -0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.52 3fmg s ILE 119 Cb -0.15 -1.79 0.05 0.00 0.01 0.00 0.00 42.46 40.59 3fmg s ILE 119 CO -0.02 0.58 0.03 -0.89 0.00 0.00 0.00 174.94 174.64 3fmg s THR 120 N -0.61 0.47 -0.17 2.92 2.01 -0.97 -1.51 115.64 117.78 3fmg s THR 120 Ca 0.10 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 3fmg s THR 120 Cb -0.10 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 3fmg s THR 120 CO -0.01 -0.08 0.28 -0.69 -0.69 0.00 0.00 174.62 173.44 3fmg s VAL 121 N 1.90 5.31 -0.30 3.82 1.01 -1.26 -2.29 120.40 128.58 3fmg s VAL 121 Ca 0.01 0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.36 3fmg s VAL 121 Cb -0.16 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.76 3fmg s VAL 121 CO -0.07 0.37 0.97 -0.55 0.00 0.00 0.00 175.10 175.82 3fmg s SER 122 N 0.57 -0.61 0.00 3.32 0.15 -0.96 -4.70 113.70 111.47 3fmg s SER 122 Ca 0.16 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.65 3fmg s SER 122 Cb -0.13 1.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.88 3fmg s SER 122 CO 0.04 -0.12 0.46 -1.54 1.20 0.00 0.00 173.24 173.28 3fmg n SER 123 N 5.00 0.48 -4.73 5.45 3.41 -1.26 -4.58 113.62 117.38 3fmg n SER 123 Ca -0.09 -1.39 -0.29 0.00 -0.26 0.00 0.00 58.87 56.84 3fmg n SER 123 Cb 0.52 -0.24 0.14 0.00 -0.26 0.00 0.00 64.21 64.37 3fmg n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fmg s ALA 124 N -1.31 1.54 0.13 7.33 0.00 -1.26 -5.04 121.76 123.14 3fmg s ALA 124 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 51.96 51.81 3fmg s ALA 124 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3fmg s ALA 124 CO 0.00 -2.36 -0.19 0.15 0.00 0.00 0.00 175.76 173.36 3fmg s LYS 125 N -5.02 1.17 0.60 0.00 3.01 -1.26 -5.08 119.74 113.15 3fmg s LYS 125 Ca 0.63 -1.26 -0.18 0.00 -1.01 0.00 0.00 55.97 54.16 3fmg s LYS 125 Cb -0.17 -1.31 -0.08 0.00 -1.01 0.00 0.00 37.83 35.26 3fmg s LYS 125 CO 0.56 0.29 0.46 2.41 0.51 0.00 0.00 175.35 179.58 3fmg n THR 126 N 0.72 2.00 -3.49 2.17 -1.04 -1.26 -4.60 114.28 108.78 3fmg n THR 126 Ca -0.17 -0.48 -0.16 0.00 -2.04 0.00 0.00 64.05 61.20 3fmg n THR 126 Cb 0.55 -0.64 -0.05 0.00 -1.82 0.00 0.00 70.33 68.37 3fmg n THR 126 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3fmg s THR 127 N -1.78 0.00 -0.02 12.58 2.01 0.19 -4.85 115.64 123.78 3fmg s THR 127 Ca 0.67 -0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 3fmg s THR 127 Cb -0.42 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 3fmg s THR 127 CO 0.56 -0.00 0.56 0.00 -0.69 0.00 0.00 174.62 175.05 3fmg s ALA 128 N -1.99 3.50 -1.14 7.40 0.00 -1.26 -3.40 121.76 124.86 3fmg s ALA 128 Ca -0.07 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 3fmg s ALA 128 Cb -0.00 -2.70 0.12 0.00 0.00 0.00 0.00 23.12 20.54 3fmg s ALA 128 CO 0.03 0.17 1.45 -1.25 0.00 0.00 0.00 175.76 176.15 3fmg s PRO 129 N -0.15 3.89 -0.32 0.00 0.04 -1.26 -4.66 135.00 132.53 3fmg s PRO 129 Ca 0.30 -2.06 -0.37 0.00 0.04 0.00 0.00 61.00 58.91 3fmg s PRO 129 Cb -0.18 -5.19 -0.13 0.00 0.04 0.00 0.00 34.50 29.04 3fmg s PRO 129 CO 0.16 -1.95 2.06 -0.35 0.04 0.00 0.00 177.00 176.95 3fmg n PRO 130 N 6.98 1.09 -3.32 0.56 -0.04 -1.21 -4.46 135.00 134.60 3fmg n PRO 130 Ca 0.36 0.34 -0.38 0.00 -0.04 0.00 0.00 63.50 63.78 3fmg n PRO 130 Cb 0.46 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 3fmg n PRO 130 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fmg s VAL 131 N 6.07 5.07 -0.06 0.52 1.01 -1.26 -2.72 120.40 129.04 3fmg s VAL 131 Ca 1.07 1.01 0.05 0.00 0.00 0.00 0.00 61.98 64.11 3fmg s VAL 131 Cb -0.95 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 3fmg s VAL 131 CO 0.55 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 175.53 3fmg s TYR 132 N -0.00 2.52 -0.17 5.22 2.02 -0.78 -4.98 117.35 121.17 3fmg s TYR 132 Ca 0.27 -0.53 -0.28 0.00 -0.37 0.00 0.00 57.07 56.16 3fmg s TYR 132 Cb -0.16 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3fmg s TYR 132 CO 0.13 -0.09 0.94 -1.25 -1.57 0.00 0.00 175.55 173.72 3fmg s PRO 133 N -0.32 4.31 -0.57 -1.71 0.04 -1.26 -1.90 135.00 133.59 3fmg s PRO 133 Ca 0.02 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 3fmg s PRO 133 Cb -0.13 -3.59 0.10 0.00 0.04 0.00 0.00 34.50 30.92 3fmg s PRO 133 CO 0.02 -0.43 0.66 -0.51 0.04 0.00 0.00 177.00 176.78 3fmg s LEU 134 N 2.47 5.39 -0.16 -3.56 2.01 0.21 -4.98 118.68 120.06 3fmg s LEU 134 Ca 0.43 -1.36 -0.07 0.00 0.01 0.00 0.00 54.13 53.13 3fmg s LEU 134 Cb -0.16 -2.32 -0.04 0.00 0.01 0.00 0.00 46.19 43.68 3fmg s LEU 134 CO 0.12 -1.03 0.10 0.00 1.01 0.00 0.00 176.35 176.55 3fmg s ALA 135 N 2.54 3.62 0.70 4.21 0.00 -1.26 -1.41 121.76 130.16 3fmg s ALA 135 Ca 0.11 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 3fmg s ALA 135 Cb -0.24 -1.96 -0.10 0.00 0.00 0.00 0.00 23.12 20.83 3fmg s ALA 135 CO 0.07 0.35 0.08 -2.30 0.00 0.00 0.00 175.76 173.96 3fmg n PRO 136 N 2.90 0.15 -2.12 0.00 -0.02 -1.26 -4.88 135.00 129.77 3fmg n PRO 136 Ca -0.18 0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 61.00 3fmg n PRO 136 Cb 0.53 -1.41 0.01 0.00 -0.02 0.00 0.00 33.50 32.61 3fmg n PRO 136 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3fmg s GLY 137 N -1.23 2.80 0.00 -1.23 0.00 -1.26 -4.70 107.32 101.69 3fmg s GLY 137 Ca 0.58 1.04 0.00 0.00 0.00 0.00 0.00 44.72 46.34 3fmg s GLY 137 CO 0.65 1.50 0.64 -1.26 0.00 0.00 0.00 173.10 174.63 3fmg n SER 138 N -0.74 0.00 -3.95 1.64 2.88 -1.26 -4.77 113.62 107.42 3fmg n SER 138 Ca 0.09 0.21 -0.36 0.00 -1.33 0.00 0.00 58.87 57.48 3fmg n SER 138 Cb 0.47 -0.21 0.04 0.00 -0.75 0.00 0.00 64.21 63.77 3fmg n SER 138 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fmg n ALA 139 N -1.14 -5.29 -1.50 -1.46 0.00 -1.26 -4.83 120.51 105.04 3fmg n ALA 139 Ca 0.00 -0.63 -0.39 0.00 0.00 0.00 0.00 53.44 52.42 3fmg n ALA 139 Cb 0.10 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.44 3fmg n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fmg n ALA 140 N -2.38 -0.92 -1.64 0.00 0.00 -1.26 -4.82 120.51 109.48 3fmg n ALA 140 Ca -0.01 0.04 -0.49 0.00 0.00 0.00 0.00 53.44 52.99 3fmg n ALA 140 Cb 0.54 -1.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 3fmg n ALA 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3fmg n GLN 143 N -0.00 1.73 -3.13 0.00 1.13 -1.26 -4.95 117.38 110.89 3fmg n GLN 143 Ca 0.12 0.63 -0.39 0.00 -1.94 0.00 0.00 57.00 55.41 3fmg n GLN 143 Cb 0.45 -2.35 -0.05 0.00 0.11 0.00 0.00 30.24 28.40 3fmg n GLN 143 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3fmg s THR 144 N 0.91 5.02 0.00 5.09 -1.32 -1.26 -5.03 115.64 119.05 3fmg s THR 144 Ca 0.82 1.31 0.00 0.00 -1.21 0.00 0.00 61.69 62.61 3fmg s THR 144 Cb -0.80 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 66.22 3fmg s THR 144 CO 0.42 0.31 0.04 0.59 -2.21 0.00 0.00 174.62 173.77 3fmg n ASN 145 N 3.43 0.00 0.00 8.08 5.03 -1.26 -4.72 115.26 125.82 3fmg n ASN 145 Ca -0.04 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3fmg n ASN 145 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 3fmg n ASN 145 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3fmg n SER 146 N -0.06 0.00 -4.85 6.41 3.41 -1.26 -4.55 113.62 112.73 3fmg n SER 146 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 3fmg n SER 146 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3fmg n SER 146 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3fmg s MET 147 N 0.00 3.92 0.24 4.33 -1.94 -1.26 -0.83 119.30 123.76 3fmg s MET 147 Ca 0.00 0.41 0.10 0.00 -1.71 0.00 0.00 55.69 54.50 3fmg s MET 147 Cb 0.00 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 3fmg s MET 147 CO 0.00 0.47 -0.10 0.08 -0.01 0.00 0.00 175.02 175.46 3fmg s VAL 148 N -1.49 3.04 -0.06 -6.03 1.01 -0.93 -4.83 120.40 111.11 3fmg s VAL 148 Ca 0.38 -1.97 0.03 0.00 0.00 0.00 0.00 61.98 60.42 3fmg s VAL 148 Cb -0.14 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.67 3fmg s VAL 148 CO 0.19 -0.28 -0.14 -0.89 0.00 0.00 0.00 175.10 173.98 3fmg s THR 149 N -2.13 1.26 0.22 3.92 2.01 -1.26 -2.90 115.64 116.76 3fmg s THR 149 Ca 0.28 -0.58 0.10 0.00 0.31 0.00 0.00 61.69 61.80 3fmg s THR 149 Cb -0.07 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 3fmg s THR 149 CO 0.16 0.38 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.60 3fmg s LEU 150 N 0.44 2.89 0.05 4.42 2.01 -0.73 -4.42 118.68 123.33 3fmg s LEU 150 Ca -0.11 -0.70 -0.02 0.00 0.01 0.00 0.00 54.13 53.31 3fmg s LEU 150 Cb -0.14 -1.52 -0.03 0.00 0.01 0.00 0.00 46.19 44.50 3fmg s LEU 150 CO 0.04 0.07 0.00 -0.83 1.01 0.00 0.00 176.35 176.64 3fmg s GLY 151 N -3.10 0.39 -0.02 -3.19 0.00 -0.50 -1.58 107.32 99.33 3fmg s GLY 151 Ca 0.27 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 43.98 3fmg s GLY 151 CO 0.15 -1.17 -0.14 0.00 0.00 0.00 0.00 173.10 171.95 3fmg s LEU 153 N -0.18 3.36 -0.35 0.00 1.98 -0.80 -1.42 118.68 121.27 3fmg s LEU 153 Ca 0.03 -1.83 -0.22 0.00 -2.89 0.00 0.00 54.13 49.22 3fmg s LEU 153 Cb -0.07 -1.22 0.00 0.00 0.66 0.00 0.00 46.19 45.57 3fmg s LEU 153 CO 0.00 -0.39 0.70 -0.69 -1.89 0.00 0.00 176.35 174.09 3fmg s VAL 154 N 1.29 4.83 -0.02 1.68 1.01 0.21 -1.86 120.40 127.53 3fmg s VAL 154 Ca 0.09 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.89 3fmg s VAL 154 Cb -0.18 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3fmg s VAL 154 CO -0.16 -0.35 -0.25 -0.75 0.00 0.00 0.00 175.10 173.59 3fmg s LYS 155 N 2.87 2.15 -0.65 2.72 2.20 -1.10 -0.65 119.74 127.28 3fmg s LYS 155 Ca 0.28 -0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 54.89 3fmg s LYS 155 Cb -0.14 -2.08 0.01 0.00 -1.51 0.00 0.00 37.83 34.12 3fmg s LYS 155 CO 0.15 0.57 0.65 0.41 -0.36 0.00 0.00 175.35 176.77 3fmg n GLY 156 N 2.41 -1.09 3.27 5.54 0.00 -1.04 -3.29 105.19 111.00 3fmg n GLY 156 Ca -0.16 0.78 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 3fmg n GLY 156 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fmg s TYR 157 N -2.70 1.32 -0.19 1.61 1.13 -0.77 -4.43 117.35 113.32 3fmg s TYR 157 Ca 0.11 -0.84 -0.10 0.00 -1.41 0.00 0.00 57.07 54.82 3fmg s TYR 157 Cb -0.02 -0.71 0.06 0.00 -1.10 0.00 0.00 41.96 40.19 3fmg s TYR 157 CO 0.81 0.00 0.46 0.12 -2.51 0.00 0.00 175.55 174.43 3fmg s PHE 158 N -3.41 -0.70 0.00 -3.49 5.36 -1.22 -1.78 117.98 112.75 3fmg s PHE 158 Ca 0.20 1.46 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 3fmg s PHE 158 Cb 0.04 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.06 3fmg s PHE 158 CO 0.03 -0.39 0.00 -0.35 -1.46 0.00 0.00 175.22 173.05 3fmg n PRO 159 N 4.33 2.56 -1.79 10.12 -0.04 -1.26 -0.63 135.00 148.28 3fmg n PRO 159 Ca -0.22 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.87 3fmg n PRO 159 Cb 0.56 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.08 3fmg n PRO 159 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fmg s GLU 160 N -0.86 2.63 0.00 0.54 0.41 -1.26 -4.77 118.70 115.38 3fmg s GLU 160 Ca 0.00 2.01 0.00 0.00 -0.41 0.00 0.00 54.97 56.57 3fmg s GLU 160 Cb 0.00 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.49 3fmg s GLU 160 CO 0.00 -1.52 0.00 -0.35 -0.49 0.00 0.00 175.26 172.90 3fmg n PRO 161 N -1.86 3.14 -3.77 0.39 -0.04 -1.26 -4.99 135.00 126.60 3fmg n PRO 161 Ca 0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 3fmg n PRO 161 Cb 0.48 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 3fmg n PRO 161 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fmg s VAL 162 N 0.85 0.10 -0.25 0.52 1.01 -1.26 -4.47 120.40 116.90 3fmg s VAL 162 Ca 0.00 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3fmg s VAL 162 Cb 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.33 3fmg s VAL 162 CO 0.00 -0.47 -0.08 -0.89 0.00 0.00 0.00 175.10 173.66 3fmg s THR 163 N -3.21 1.85 -0.13 3.92 2.01 -0.51 -4.95 115.64 114.62 3fmg s THR 163 Ca -0.00 -1.43 -0.04 0.00 0.31 0.00 0.00 61.69 60.53 3fmg s THR 163 Cb 0.01 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 3fmg s THR 163 CO -0.07 -0.07 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.09 3fmg s VAL 164 N 1.25 4.25 -0.10 3.82 1.01 -1.24 -1.14 120.40 128.25 3fmg s VAL 164 Ca -0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3fmg s VAL 164 Cb -0.19 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3fmg s VAL 164 CO -0.06 0.54 0.26 0.42 0.00 0.00 0.00 175.10 176.26 3fmg s THR 166 N -0.21 -0.01 -0.34 3.92 -4.23 0.47 -4.96 115.64 110.29 3fmg s THR 166 Ca 0.05 0.02 -0.18 0.00 -1.18 0.00 0.00 61.69 60.40 3fmg s THR 166 Cb -0.12 -0.37 -0.01 0.00 1.34 0.00 0.00 72.50 73.34 3fmg s THR 166 CO 0.02 0.01 0.51 0.26 -0.54 0.00 0.00 174.62 174.89 3fmg s TRP 167 N 0.33 3.19 -1.07 3.99 0.52 -1.26 -0.14 118.94 124.49 3fmg s TRP 167 Ca -0.02 0.23 -0.06 0.00 0.02 0.00 0.00 56.10 56.27 3fmg s TRP 167 Cb -0.03 -2.91 0.01 0.00 -1.15 0.00 0.00 33.47 29.39 3fmg s TRP 167 CO -0.01 -0.51 0.93 0.09 0.02 0.00 0.00 176.95 177.47 3fmg n ASN 172 N 5.73 -5.11 -4.02 2.95 5.03 -0.95 -2.18 115.26 116.70 3fmg n ASN 172 Ca -0.05 -0.44 -0.38 0.00 0.87 0.00 0.00 54.58 54.59 3fmg n ASN 172 Cb 0.49 -4.13 -0.00 0.00 -1.02 0.00 0.00 39.78 35.11 3fmg n ASN 172 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3fmg n SER 173 N -2.18 -2.88 0.00 6.41 7.64 -1.26 -0.64 113.62 120.71 3fmg n SER 173 Ca -0.02 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.66 3fmg n SER 173 Cb 0.56 -2.20 0.00 0.00 -1.01 0.00 0.00 64.21 61.56 3fmg n SER 173 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fmg n GLY 174 N -2.09 3.15 0.19 0.23 0.00 -1.23 -4.90 105.19 100.54 3fmg n GLY 174 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 3fmg n GLY 174 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3fmg h SER 175 N 0.00 -0.64 -3.04 1.61 0.87 -0.94 -3.32 113.55 108.10 3fmg h SER 175 Ca 0.00 0.07 -0.68 0.00 -1.23 0.00 0.00 61.79 59.94 3fmg h SER 175 Cb 0.00 0.24 -0.18 0.00 -0.44 0.00 0.00 62.40 62.01 3fmg h SER 175 CO 0.00 -0.22 0.14 -0.22 -0.53 0.00 0.00 176.83 176.00 3fmg s LEU 176 N -7.01 5.07 0.02 2.23 0.20 -0.93 -4.82 118.68 113.45 3fmg s LEU 176 Ca -0.06 -1.13 -0.05 0.00 0.69 0.00 0.00 54.13 53.57 3fmg s LEU 176 Cb 0.02 -2.39 -0.02 0.00 -0.43 0.00 0.00 46.19 43.37 3fmg s LEU 176 CO 0.24 -1.05 -0.09 -1.54 -0.29 0.00 0.00 176.35 173.61 3fmg n SER 177 N 6.43 1.26 -4.76 3.68 3.41 -1.25 -4.13 113.62 118.26 3fmg n SER 177 Ca -0.07 0.18 -0.39 0.00 -0.26 0.00 0.00 58.87 58.33 3fmg n SER 177 Cb 0.44 -0.43 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 3fmg n SER 177 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3fmg s SER 178 N -5.90 6.00 0.00 4.04 0.15 -1.26 -2.92 113.70 113.81 3fmg s SER 178 Ca -0.08 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.22 3fmg s SER 178 Cb 0.01 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3fmg s SER 178 CO 0.11 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.10 3fmg n GLY 179 N 0.63 0.69 3.48 9.45 0.00 -1.26 -4.96 105.19 113.21 3fmg n GLY 179 Ca 0.06 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3fmg n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fmg s VAL 181 N -2.00 2.83 -0.09 1.61 1.01 -1.15 -1.84 120.40 120.77 3fmg s VAL 181 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 60.62 3fmg s VAL 181 Cb 0.00 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.14 3fmg s VAL 181 CO 0.00 0.20 -0.12 -1.00 0.00 0.00 0.00 175.10 174.17 3fmg s HIS 182 N -1.06 1.66 -0.11 5.22 3.76 0.68 -5.00 115.29 120.45 3fmg s HIS 182 Ca 0.17 -0.73 -0.00 0.00 -0.15 0.00 0.00 55.06 54.34 3fmg s HIS 182 Cb -0.11 -1.24 0.02 0.00 1.11 0.00 0.00 32.58 32.37 3fmg s HIS 182 CO 0.08 -0.41 -0.09 -0.08 -0.85 0.00 0.00 174.74 173.40 3fmg s THR 183 N 1.01 1.10 0.24 1.30 -1.32 -1.26 0.13 115.64 116.84 3fmg s THR 183 Ca -0.07 -0.34 -0.14 0.00 -1.21 0.00 0.00 61.69 59.93 3fmg s THR 183 Cb -0.15 -1.10 -0.08 0.00 -1.51 0.00 0.00 72.50 69.67 3fmg s THR 183 CO -0.01 0.38 0.63 -0.36 -2.21 0.00 0.00 174.62 173.05 3fmg s PHE 184 N 1.60 3.48 0.17 9.09 0.40 -0.34 -5.00 117.98 127.37 3fmg s PHE 184 Ca 0.03 1.09 -0.34 0.00 -0.60 0.00 0.00 56.93 57.12 3fmg s PHE 184 Cb -0.13 -2.42 -0.14 0.00 0.51 0.00 0.00 43.02 40.84 3fmg s PHE 184 CO -0.08 0.26 1.52 -2.30 0.70 0.00 0.00 175.22 175.33 3fmg n PRO 185 N 0.12 2.02 -1.64 0.24 -0.02 -1.26 -4.33 135.00 130.13 3fmg n PRO 185 Ca -0.00 0.73 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 3fmg n PRO 185 Cb 0.52 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3fmg n PRO 185 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fmg n ALA 186 N 3.08 0.44 -3.75 3.55 0.00 -1.26 -4.84 120.51 117.74 3fmg n ALA 186 Ca 0.16 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 3fmg n ALA 186 Cb 0.28 -2.15 -0.17 0.00 0.00 0.00 0.00 19.45 17.41 3fmg n ALA 186 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fmg s VAL 187 N -1.41 0.39 -0.14 0.00 1.01 -0.47 -4.91 120.40 114.86 3fmg s VAL 187 Ca 0.71 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 3fmg s VAL 187 Cb -0.45 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3fmg s VAL 187 CO 0.50 0.25 1.43 -0.22 0.00 0.00 0.00 175.10 177.07 3fmg s LEU 188 N 1.75 4.18 -0.24 3.92 0.20 -1.26 -2.19 118.68 125.04 3fmg s LEU 188 Ca 0.02 1.84 0.02 0.00 0.69 0.00 0.00 54.13 56.70 3fmg s LEU 188 Cb -0.13 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.15 3fmg s LEU 188 CO -0.04 -0.89 -0.13 -1.58 -0.29 0.00 0.00 176.35 173.43 3fmg s GLN 189 N 3.84 2.47 -1.31 1.98 0.74 0.40 -4.82 119.66 122.97 3fmg s GLN 189 Ca 0.63 -1.20 -0.09 0.00 0.05 0.00 0.00 55.36 54.75 3fmg s GLN 189 Cb -0.26 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.03 3fmg s GLN 189 CO 0.22 -0.47 0.55 0.45 -0.55 0.00 0.00 175.29 175.49 3fmg n SER 190 N 4.50 -2.16 0.00 6.67 2.88 -1.26 -0.78 113.62 123.46 3fmg n SER 190 Ca -0.16 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 3fmg n SER 190 Cb 0.44 -3.06 0.00 0.00 -0.75 0.00 0.00 64.21 60.84 3fmg n SER 190 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3fmg n ASP 193 N -2.83 0.00 -4.40 -3.46 -0.08 -1.26 -4.97 116.55 99.55 3fmg n ASP 193 Ca -0.23 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.73 3fmg n ASP 193 Cb 0.65 -0.55 -0.14 0.00 2.34 0.00 0.00 41.12 43.42 3fmg n ASP 193 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3fmg s LEU 194 N 0.00 2.46 0.25 -2.67 1.43 0.04 -4.86 118.68 115.33 3fmg s LEU 194 Ca 0.00 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.54 3fmg s LEU 194 Cb 0.00 -1.47 -0.09 0.00 0.03 0.00 0.00 46.19 44.66 3fmg s LEU 194 CO 0.00 0.33 0.85 -0.31 0.23 0.00 0.00 176.35 177.44 3fmg s TYR 195 N -0.62 3.79 0.00 0.29 1.51 -0.73 -0.45 117.35 121.13 3fmg s TYR 195 Ca 0.09 1.68 0.03 0.00 -1.01 0.00 0.00 57.07 57.86 3fmg s TYR 195 Cb -0.11 -2.82 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 3fmg s TYR 195 CO 0.00 0.36 -0.08 0.99 -1.11 0.00 0.00 175.55 175.71 3fmg s THR 196 N -1.41 0.66 0.03 -0.71 2.01 -0.93 -1.85 115.64 113.45 3fmg s THR 196 Ca 0.43 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.77 3fmg s THR 196 Cb -0.20 -0.58 0.04 0.00 0.01 0.00 0.00 72.50 71.77 3fmg s THR 196 CO 0.25 0.11 0.45 -1.48 -0.69 0.00 0.00 174.62 173.26 3fmg s LEU 197 N -0.39 0.26 0.18 4.42 2.34 0.18 -1.37 118.68 124.29 3fmg s LEU 197 Ca 0.02 0.11 0.06 0.00 0.06 0.00 0.00 54.13 54.39 3fmg s LEU 197 Cb -0.04 1.84 -0.05 0.00 -0.56 0.00 0.00 46.19 47.38 3fmg s LEU 197 CO -0.00 -0.64 -0.13 -0.94 -1.06 0.00 0.00 176.35 173.58 3fmg s SER 198 N -1.83 2.26 -0.06 1.48 1.04 -1.26 -0.62 113.70 114.70 3fmg s SER 198 Ca -0.07 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.31 3fmg s SER 198 Cb -0.01 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.06 3fmg s SER 198 CO -0.00 -0.24 0.14 -0.55 0.98 0.00 0.00 173.24 173.58 3fmg s SER 199 N -3.26 -0.12 0.20 7.02 0.15 -0.50 -1.20 113.70 115.99 3fmg s SER 199 Ca 0.20 0.30 0.08 0.00 0.70 0.00 0.00 55.95 57.23 3fmg s SER 199 Cb 0.01 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.48 3fmg s SER 199 CO 0.04 -0.13 -0.01 -0.94 1.20 0.00 0.00 173.24 173.40 3fmg s SER 200 N 0.96 4.64 -0.07 5.45 1.04 0.34 -1.20 113.70 124.86 3fmg s SER 200 Ca -0.07 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 3fmg s SER 200 Cb -0.09 -0.93 0.02 0.00 0.10 0.00 0.00 66.02 65.12 3fmg s SER 200 CO -0.05 0.06 0.19 0.54 0.98 0.00 0.00 173.24 174.97 3fmg s VAL 201 N -1.89 -0.01 -0.22 5.02 0.11 -0.61 -0.23 120.40 122.57 3fmg s VAL 201 Ca 0.28 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 3fmg s VAL 201 Cb -0.08 -0.28 0.05 0.00 -1.53 0.00 0.00 36.38 34.53 3fmg s VAL 201 CO 0.18 0.01 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.99 3fmg s THR 202 N 0.28 1.62 0.09 5.04 2.01 -0.77 -1.78 115.64 122.14 3fmg s THR 202 Ca -0.01 -1.13 0.07 0.00 0.31 0.00 0.00 61.69 60.92 3fmg s THR 202 Cb -0.03 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 3fmg s THR 202 CO -0.01 0.05 -0.17 0.68 -0.69 0.00 0.00 174.62 174.47 3fmg s VAL 203 N 1.38 1.43 0.80 3.82 -7.23 -1.14 -4.87 120.40 114.58 3fmg s VAL 203 Ca -0.04 -1.48 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 3fmg s VAL 203 Cb -0.18 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.38 3fmg s VAL 203 CO -0.07 -0.18 0.42 -2.65 -0.31 0.00 0.00 175.10 172.31 3fmg n PRO 204 N 1.07 0.10 0.00 4.82 -0.02 -1.26 -2.18 135.00 137.54 3fmg n PRO 204 Ca -0.20 0.08 0.03 0.00 -2.02 0.00 0.00 63.50 61.40 3fmg n PRO 204 Cb 0.54 -1.79 0.15 0.00 -0.02 0.00 0.00 33.50 32.39 3fmg n PRO 204 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fmg n SER 205 N -0.38 0.00 0.28 2.55 2.88 -0.01 -2.86 113.62 116.08 3fmg n SER 205 Ca 0.08 0.44 -0.12 0.00 -1.33 0.00 0.00 58.87 57.94 3fmg n SER 205 Cb 0.51 -0.46 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 3fmg n SER 205 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3fmg h SER 206 N 0.00 -0.64 0.17 -3.46 0.02 -1.86 -3.35 113.55 104.42 3fmg h SER 206 Ca 0.00 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3fmg h SER 206 Cb 0.11 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 3fmg h SER 206 CO 0.00 -0.31 -0.50 -0.65 -1.14 0.00 0.00 176.83 174.23 3fmg h PRO 209 N -1.07 -0.73 -6.35 3.45 0.11 -1.87 -3.39 132.00 122.15 3fmg h PRO 209 Ca -0.08 0.05 -0.55 0.00 0.11 0.00 0.00 66.00 65.53 3fmg h PRO 209 Cb 0.58 0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 3fmg h PRO 209 CO 0.13 -0.48 0.01 1.03 -0.21 0.00 0.00 178.00 178.47 3fmg s ARG 210 N -5.64 4.20 0.00 1.05 1.81 -1.25 -0.45 118.95 118.68 3fmg s ARG 210 Ca -0.16 0.75 0.19 0.00 -1.72 0.00 0.00 55.73 54.80 3fmg s ARG 210 Cb 0.05 -3.10 0.98 0.00 -0.45 0.00 0.00 34.95 32.43 3fmg s ARG 210 CO 0.58 0.55 1.65 -2.30 -0.68 0.00 0.00 175.30 175.10 3fmg n PRO 212 N 1.31 1.25 0.00 3.54 -0.02 -1.26 -4.69 135.00 135.12 3fmg n PRO 212 Ca -0.07 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 3fmg n PRO 212 Cb 0.51 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3fmg n PRO 212 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fmg n SER 213 N -0.41 1.26 0.00 2.55 3.41 0.41 -4.68 113.62 116.15 3fmg n SER 213 Ca 0.15 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 3fmg n SER 213 Cb 0.15 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3fmg n SER 213 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fmg n GLU 214 N 0.48 0.44 -2.89 4.33 -0.58 -0.44 -4.95 120.64 117.04 3fmg n GLU 214 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 3fmg n GLU 214 Cb 0.23 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.13 3fmg n GLU 214 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3fmg n THR 215 N 0.00 -0.15 -2.29 2.62 -1.04 -1.26 -5.00 114.28 107.16 3fmg n THR 215 Ca 0.00 -2.40 -0.42 0.00 -2.04 0.00 0.00 64.05 59.19 3fmg n THR 215 Cb 0.00 0.62 -0.03 0.00 -1.82 0.00 0.00 70.33 69.11 3fmg n THR 215 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3fmg s VAL 216 N -0.22 3.82 0.16 12.58 1.01 -1.26 -4.94 120.40 131.55 3fmg s VAL 216 Ca 0.31 1.22 0.10 0.00 0.00 0.00 0.00 61.98 63.60 3fmg s VAL 216 Cb 0.25 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3fmg s VAL 216 CO -0.14 0.01 -0.21 -0.89 0.00 0.00 0.00 175.10 173.87 3fmg s THR 217 N 2.13 2.00 -0.33 3.92 2.01 -1.26 -2.40 115.64 121.70 3fmg s THR 217 Ca 0.62 -1.87 -0.13 0.00 0.31 0.00 0.00 61.69 60.61 3fmg s THR 217 Cb -0.30 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 3fmg s THR 217 CO 0.26 -0.17 0.27 0.00 -0.69 0.00 0.00 174.62 174.29 3fmg s ASN 219 N 1.73 6.05 -0.11 0.00 0.02 0.80 -2.10 114.94 121.32 3fmg s ASN 219 Ca 0.08 -1.65 -0.01 0.00 -1.02 0.00 0.00 52.86 50.26 3fmg s ASN 219 Cb -0.17 -2.15 -0.02 0.00 0.02 0.00 0.00 41.25 38.92 3fmg s ASN 219 CO 0.11 -0.75 -0.08 0.54 0.02 0.00 0.00 177.10 176.94 3fmg s VAL 220 N 1.56 3.54 -0.08 1.60 0.11 -0.64 -0.40 120.40 126.10 3fmg s VAL 220 Ca 0.04 -0.50 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 3fmg s VAL 220 Cb -0.27 -2.49 0.03 0.00 -1.53 0.00 0.00 36.38 32.11 3fmg s VAL 220 CO 0.03 0.54 -0.01 0.00 -3.33 0.00 0.00 175.10 172.33 3fmg s ALA 221 N -0.08 0.81 -0.81 1.54 0.00 -0.29 -1.20 121.76 121.73 3fmg s ALA 221 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 3fmg s ALA 221 Cb -0.13 -0.77 0.21 0.00 0.00 0.00 0.00 23.12 22.42 3fmg s ALA 221 CO 0.03 -0.45 0.71 -1.58 0.00 0.00 0.00 175.76 174.47 3fmg s HIS 222 N 1.92 3.73 -0.51 0.00 2.46 -0.16 -1.43 115.29 121.30 3fmg s HIS 222 Ca 0.05 -2.49 0.00 0.00 0.47 0.00 0.00 55.06 53.09 3fmg s HIS 222 Cb -0.12 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 3fmg s HIS 222 CO -0.06 -0.90 0.75 -2.30 -2.47 0.00 0.00 174.74 169.77 3fmg n PRO 223 N 3.38 0.00 -0.04 2.88 -0.02 -1.26 -0.65 135.00 139.28 3fmg n PRO 223 Ca 0.14 0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 3fmg n PRO 223 Cb 0.41 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.14 3fmg n PRO 223 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fmg h ALA 224 N 1.01 0.00 -0.35 3.55 0.00 -1.89 -3.36 119.26 118.22 3fmg h ALA 224 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3fmg h ALA 224 Cb 0.49 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3fmg h ALA 224 CO 0.00 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 3fmg n SER 225 N -3.90 2.32 -3.98 0.00 3.41 -1.12 -4.92 113.62 105.43 3fmg n SER 225 Ca -0.03 -2.11 -0.32 0.00 -0.26 0.00 0.00 58.87 56.15 3fmg n SER 225 Cb 0.11 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 3fmg n SER 225 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3fmg n SER 226 N 0.52 -2.03 -4.25 4.04 7.64 0.18 -4.94 113.62 114.77 3fmg n SER 226 Ca 0.13 -1.12 -0.37 0.00 1.01 0.00 0.00 58.87 58.51 3fmg n SER 226 Cb 0.41 -2.58 -0.12 0.00 -1.01 0.00 0.00 64.21 60.91 3fmg n SER 226 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3fmg s THR 227 N -3.84 3.69 -0.21 0.44 2.01 -1.01 -4.95 115.64 111.78 3fmg s THR 227 Ca 0.21 -1.23 -0.07 0.00 0.31 0.00 0.00 61.69 60.92 3fmg s THR 227 Cb -0.10 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 3fmg s THR 227 CO 0.92 -0.22 0.05 -0.75 -0.69 0.00 0.00 174.62 173.94 3fmg s LYS 228 N 1.37 3.78 0.01 4.92 2.47 -1.26 -0.98 119.74 130.05 3fmg s LYS 228 Ca -0.01 -0.43 -0.03 0.00 -1.56 0.00 0.00 55.97 53.94 3fmg s LYS 228 Cb -0.20 -3.22 -0.01 0.00 -1.46 0.00 0.00 37.83 32.94 3fmg s LYS 228 CO 0.02 0.06 0.04 0.08 0.16 0.00 0.00 175.35 175.71 3fmg s VAL 229 N 0.94 0.09 -0.02 4.02 1.01 -0.34 -5.03 120.40 121.07 3fmg s VAL 229 Ca 0.03 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3fmg s VAL 229 Cb -0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 3fmg s VAL 229 CO 0.03 -0.41 -0.11 -1.81 0.00 0.00 0.00 175.10 172.79 3fmg s ASP 230 N -1.30 1.45 -0.07 3.32 1.11 -1.26 -1.62 116.67 118.31 3fmg s ASP 230 Ca -0.14 -0.23 -0.03 0.00 0.18 0.00 0.00 52.55 52.34 3fmg s ASP 230 Cb -0.08 -0.31 0.04 0.00 1.07 0.00 0.00 42.92 43.63 3fmg s ASP 230 CO 0.00 0.11 0.13 -0.54 1.18 0.00 0.00 175.17 176.05 3fmg s LYS 231 N 0.00 0.02 -0.09 8.23 1.02 -0.89 -4.95 119.74 123.08 3fmg s LYS 231 Ca -0.01 0.46 -0.23 0.00 0.02 0.00 0.00 55.97 56.21 3fmg s LYS 231 Cb -0.08 -0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 36.90 3fmg s LYS 231 CO 0.00 -0.27 0.70 0.15 -0.92 0.00 0.00 175.35 175.01 3fmg s LYS 232 N 1.94 4.41 -0.89 1.68 -0.14 -1.26 -0.53 119.74 124.95 3fmg s LYS 232 Ca -0.00 0.85 -0.25 0.00 -1.36 0.00 0.00 55.97 55.21 3fmg s LYS 232 Cb -0.12 -3.47 -0.10 0.00 -1.68 0.00 0.00 37.83 32.46 3fmg s LYS 232 CO -0.05 0.02 2.15 0.96 -0.76 0.00 0.00 175.35 177.67 3fmg s ILE 233 N 0.98 3.24 -0.45 2.17 -5.25 -1.01 -4.92 121.20 115.97 3fmg s ILE 233 Ca 0.36 -0.24 -0.29 0.00 -0.99 0.00 0.00 60.65 59.50 3fmg s ILE 233 Cb -0.17 -3.64 0.03 0.00 2.95 0.00 0.00 42.46 41.63 3fmg s ILE 233 CO 0.17 -0.50 1.13 0.54 -1.79 0.00 0.00 174.94 174.49 3fmg s VAL 236 N 12.63 4.26 1.19 8.37 0.11 -1.26 -4.90 120.40 140.80 3fmg s VAL 236 Ca 0.80 1.32 -0.18 0.00 -2.93 0.00 0.00 61.98 61.00 3fmg s VAL 236 Cb -0.09 -4.56 0.23 0.00 -1.53 0.00 0.00 36.38 30.43 3fmg s VAL 236 CO 0.05 -0.90 0.48 -2.65 -3.33 0.00 0.00 175.10 168.74 3fmg n PRO 237 N 7.66 -2.79 0.00 1.54 -0.02 -1.26 -4.84 135.00 135.29 3fmg n PRO 237 Ca 0.12 -0.81 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 3fmg n PRO 237 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3fmg n PRO 237 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37