#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrf n ASP 8 N 0.00 -0.83 0.28 1.09 5.68 -1.26 -5.03 116.55 116.48 1zrf n ASP 8 Ca 0.00 -2.68 0.13 0.00 -0.50 0.00 0.00 54.79 51.73 1zrf n ASP 8 Cb 0.00 1.70 0.79 0.00 -1.14 0.00 0.00 41.12 42.48 1zrf n ASP 8 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1zrf h PRO 9 N 0.00 0.00 0.04 0.11 0.11 -2.05 -1.81 132.00 128.40 1zrf h PRO 9 Ca -0.21 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.71 1zrf h PRO 9 Cb 0.98 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.11 1zrf h PRO 9 CO 0.29 0.06 -0.79 1.15 -0.21 0.00 0.00 178.00 178.50 1zrf h THR 10 N 0.00 1.40 -0.39 -1.15 2.02 -1.98 -1.70 112.91 111.11 1zrf h THR 10 Ca -0.00 -2.22 -0.03 0.00 0.77 0.00 0.00 66.41 64.93 1zrf h THR 10 Cb 0.14 2.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1zrf h THR 10 CO 0.01 0.65 0.13 0.25 0.37 0.00 0.00 175.52 176.93 1zrf h LEU 11 N -0.01 0.56 -0.68 2.58 5.85 -1.92 -0.52 115.31 121.17 1zrf h LEU 11 Ca -0.11 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1zrf h LEU 11 Cb 1.50 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 1zrf h LEU 11 CO 0.15 0.60 0.31 -0.33 -0.34 0.00 0.00 178.44 178.83 1zrf h GLU 12 N 0.48 0.99 -0.27 1.25 4.39 -1.40 0.17 114.58 120.20 1zrf h GLU 12 Ca 0.13 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1zrf h GLU 12 Cb 0.24 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1zrf h GLU 12 CO -0.01 0.80 0.14 2.35 -1.16 0.00 0.00 179.01 181.14 1zrf h TRP 13 N 0.95 0.27 0.06 4.33 7.01 -1.05 -1.57 115.95 125.96 1zrf h TRP 13 Ca 0.23 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 1zrf h TRP 13 Cb 0.15 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1zrf h TRP 13 CO 0.01 0.15 -0.03 0.35 -2.79 0.00 0.00 178.44 176.13 1zrf h PHE 14 N 0.30 -0.08 0.00 2.65 3.57 -0.55 -3.02 116.94 119.81 1zrf h PHE 14 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1zrf h PHE 14 Cb 0.02 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1zrf h PHE 14 CO -0.09 -0.00 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.80 1zrf h LEU 15 N -0.14 0.00 -0.90 0.59 3.38 -0.53 -2.08 115.31 115.64 1zrf h LEU 15 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1zrf h LEU 15 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1zrf h LEU 15 CO 0.01 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 1zrf n SER 16 N -4.23 0.60 -1.02 -0.43 3.41 -0.60 -0.92 113.62 110.43 1zrf n SER 16 Ca -0.03 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1zrf n SER 16 Cb 0.20 -0.80 0.17 0.00 -0.26 0.00 0.00 64.21 63.52 1zrf n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1zrf n HIS 17 N -2.21 0.22 -4.15 7.33 8.25 -0.78 -4.98 115.22 118.89 1zrf n HIS 17 Ca 0.01 -0.11 -0.25 0.00 -0.26 0.00 0.00 57.72 57.11 1zrf n HIS 17 Cb 0.16 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.20 1zrf n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zrf s HIS 19 N -2.61 3.01 -0.19 0.00 3.76 -0.63 -4.92 115.29 113.72 1zrf s HIS 19 Ca 0.40 -0.49 -0.09 0.00 -0.15 0.00 0.00 55.06 54.74 1zrf s HIS 19 Cb 0.04 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.65 1zrf s HIS 19 CO 0.22 -0.22 0.10 0.42 -0.85 0.00 0.00 174.74 174.42 1zrf s ILE 20 N 0.83 5.18 0.07 0.60 1.01 -1.26 -0.88 121.20 126.74 1zrf s ILE 20 Ca -0.00 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.79 1zrf s ILE 20 Cb -0.14 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 1zrf s ILE 20 CO 0.02 0.46 -0.11 -1.00 0.00 0.00 0.00 174.94 174.31 1zrf s HIS 21 N 0.28 0.98 -0.11 3.97 3.76 -0.69 -5.01 115.29 118.48 1zrf s HIS 21 Ca 0.07 -0.53 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 1zrf s HIS 21 Cb -0.12 -0.56 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 1zrf s HIS 21 CO -0.01 -0.01 -0.13 0.15 -0.85 0.00 0.00 174.74 173.89 1zrf s LYS 22 N -1.96 3.15 -0.05 1.40 1.02 -1.26 -0.82 119.74 121.22 1zrf s LYS 22 Ca -0.03 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.34 1zrf s LYS 22 Cb -0.08 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1zrf s LYS 22 CO 0.01 0.34 -0.23 0.71 -0.92 0.00 0.00 175.35 175.26 1zrf s TYR 23 N 0.03 2.48 0.64 3.18 1.51 0.86 -4.98 117.35 121.06 1zrf s TYR 23 Ca -0.04 -0.54 -0.10 0.00 -1.01 0.00 0.00 57.07 55.38 1zrf s TYR 23 Cb -0.14 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1zrf s TYR 23 CO 0.04 -0.10 1.02 -1.25 -1.11 0.00 0.00 175.55 174.15 1zrf s PRO 24 N -0.36 3.16 0.50 -1.71 0.04 -1.26 -0.46 135.00 134.92 1zrf s PRO 24 Ca 0.02 0.45 -0.21 0.00 0.04 0.00 0.00 61.00 61.30 1zrf s PRO 24 Cb -0.12 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1zrf s PRO 24 CO 0.02 -0.76 0.86 0.45 0.04 0.00 0.00 177.00 177.61 1zrf n SER 25 N -2.79 0.48 0.00 6.66 2.88 -1.25 -2.21 113.62 117.39 1zrf n SER 25 Ca 0.06 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1zrf n SER 25 Cb 0.56 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1zrf n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1zrf n LYS 26 N -0.21 0.00 -1.89 -1.46 5.02 -0.00 -4.99 118.16 114.63 1zrf n LYS 26 Ca 0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 1zrf n LYS 26 Cb 0.43 -2.49 0.02 0.00 -0.02 0.00 0.00 35.03 32.97 1zrf n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1zrf s SER 27 N -3.19 5.90 -0.30 4.39 1.04 -0.94 -4.72 113.70 115.88 1zrf s SER 27 Ca 0.00 1.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.89 1zrf s SER 27 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 1zrf s SER 27 CO 0.00 -1.09 0.34 -0.89 0.98 0.00 0.00 173.24 172.58 1zrf s THR 28 N -2.88 5.19 -0.09 2.02 2.01 -1.26 -0.43 115.64 120.20 1zrf s THR 28 Ca 0.59 0.29 -0.07 0.00 0.31 0.00 0.00 61.69 62.81 1zrf s THR 28 Cb -0.13 -3.72 -0.27 0.00 0.01 0.00 0.00 72.50 68.39 1zrf s THR 28 CO 0.47 0.07 0.48 -0.07 -0.69 0.00 0.00 174.62 174.88 1zrf h LEU 29 N 8.62 0.44 -7.86 4.42 4.07 -1.35 -3.47 115.31 120.19 1zrf h LEU 29 Ca -0.31 -0.88 -0.46 0.00 0.08 0.00 0.00 57.88 56.30 1zrf h LEU 29 Cb 1.16 -0.14 -0.34 0.00 1.08 0.00 0.00 40.66 42.42 1zrf h LEU 29 CO 0.65 1.78 -0.79 -0.63 -1.08 0.00 0.00 178.44 178.36 1zrf s ILE 30 N -2.57 0.84 -0.21 1.22 1.01 -1.08 -4.98 121.20 115.43 1zrf s ILE 30 Ca -0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 1zrf s ILE 30 Cb 0.06 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 1zrf s ILE 30 CO 0.80 0.29 0.11 -1.00 0.00 0.00 0.00 174.94 175.14 1zrf s HIS 31 N 0.81 3.31 0.42 3.97 3.76 -1.26 -1.54 115.29 124.76 1zrf s HIS 31 Ca -0.13 0.16 -0.26 0.00 -0.15 0.00 0.00 55.06 54.69 1zrf s HIS 31 Cb -0.15 -2.18 -0.09 0.00 1.11 0.00 0.00 32.58 31.28 1zrf s HIS 31 CO 0.02 0.13 1.39 -1.14 -0.85 0.00 0.00 174.74 174.28 1zrf s GLN 32 N 0.68 3.86 0.00 1.40 0.74 -1.22 -2.85 119.66 122.26 1zrf s GLN 32 Ca 0.06 2.34 0.00 0.00 0.05 0.00 0.00 55.36 57.81 1zrf s GLN 32 Cb -0.13 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1zrf s GLN 32 CO 0.01 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.51 1zrf n GLY 33 N 0.60 3.27 3.81 2.59 0.00 -0.33 -4.93 105.19 110.21 1zrf n GLY 33 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1zrf n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zrf s GLU 34 N -0.58 3.08 0.30 1.61 2.02 -1.13 -4.55 118.70 119.44 1zrf s GLU 34 Ca 0.00 1.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.74 1zrf s GLU 34 Cb 0.00 -2.01 -0.10 0.00 0.10 0.00 0.00 34.13 32.12 1zrf s GLU 34 CO 0.00 -0.99 1.40 0.15 0.02 0.00 0.00 175.26 175.84 1zrf s LYS 35 N -4.70 4.27 -0.33 1.61 -0.14 -1.26 -0.17 119.74 119.02 1zrf s LYS 35 Ca 0.60 2.31 -0.13 0.00 -1.36 0.00 0.00 55.97 57.39 1zrf s LYS 35 Cb -0.15 -3.08 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 1zrf s LYS 35 CO 0.48 -0.36 0.24 0.00 -0.76 0.00 0.00 175.35 174.96 1zrf s ALA 36 N -0.55 3.51 0.00 5.17 0.00 -0.35 -4.77 121.76 124.77 1zrf s ALA 36 Ca 0.55 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1zrf s ALA 36 Cb -0.42 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.06 1zrf s ALA 36 CO 0.49 -0.88 0.08 0.39 0.00 0.00 0.00 175.76 175.85 1zrf n GLU 37 N 5.13 1.24 -4.21 0.00 1.02 -1.26 -4.72 120.64 117.84 1zrf n GLU 37 Ca -0.12 -0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 56.81 1zrf n GLU 37 Cb 0.50 -0.40 -0.10 0.00 -0.02 0.00 0.00 31.44 31.42 1zrf n GLU 37 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1zrf s THR 38 N -0.20 0.97 0.12 2.62 -4.23 -1.26 -1.17 115.64 112.48 1zrf s THR 38 Ca 0.00 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1zrf s THR 38 Cb 0.00 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1zrf s THR 38 CO 0.00 -0.79 -0.26 -0.22 -0.54 0.00 0.00 174.62 172.80 1zrf s LEU 39 N -3.09 2.30 0.16 4.79 2.96 0.27 -4.77 118.68 121.30 1zrf s LEU 39 Ca 0.14 -0.72 0.10 0.00 -0.22 0.00 0.00 54.13 53.42 1zrf s LEU 39 Cb 0.03 -1.21 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1zrf s LEU 39 CO -0.02 0.18 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.68 1zrf s TYR 40 N -1.03 2.00 -0.06 5.38 1.51 0.29 -1.32 117.35 124.11 1zrf s TYR 40 Ca 0.13 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1zrf s TYR 40 Cb -0.10 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.76 1zrf s TYR 40 CO 0.05 0.37 -0.03 -0.47 -1.11 0.00 0.00 175.55 174.36 1zrf s TYR 41 N -1.76 0.81 -0.40 2.71 6.14 0.17 -0.54 117.35 124.49 1zrf s TYR 41 Ca 0.16 -0.25 -0.29 0.00 0.64 0.00 0.00 57.07 57.33 1zrf s TYR 41 Cb -0.07 -0.78 0.02 0.00 0.42 0.00 0.00 41.96 41.55 1zrf s TYR 41 CO 0.07 -0.27 1.19 0.42 0.64 0.00 0.00 175.55 177.60 1zrf s ILE 42 N 1.34 4.23 -0.06 3.14 1.01 -0.45 -0.93 121.20 129.48 1zrf s ILE 42 Ca -0.04 1.32 -0.22 0.00 0.00 0.00 0.00 60.65 61.71 1zrf s ILE 42 Cb -0.13 -4.42 -0.31 0.00 0.01 0.00 0.00 42.46 37.61 1zrf s ILE 42 CO -0.02 -0.74 0.86 0.58 0.00 0.00 0.00 174.94 175.62 1zrf h VAL 43 N 6.09 1.50 -3.05 2.92 2.07 -1.29 0.25 116.25 124.74 1zrf h VAL 43 Ca -0.24 -2.52 -0.13 0.00 0.82 0.00 0.00 66.70 64.63 1zrf h VAL 43 Cb 1.07 3.18 -0.22 0.00 -1.52 0.00 0.00 31.29 33.80 1zrf h VAL 43 CO 1.08 0.71 -0.33 -0.54 0.02 0.00 0.00 177.57 178.51 1zrf s LYS 44 N -2.42 0.51 0.00 1.57 3.01 -0.96 -4.66 119.74 116.80 1zrf s LYS 44 Ca -0.14 0.08 0.00 0.00 -1.01 0.00 0.00 55.97 54.89 1zrf s LYS 44 Cb 0.01 0.23 0.00 0.00 -1.01 0.00 0.00 37.83 37.06 1zrf s LYS 44 CO 0.82 -0.11 0.00 0.41 0.51 0.00 0.00 175.35 176.98 1zrf n GLY 45 N 2.05 -1.76 3.09 -3.33 0.00 -1.26 -1.25 105.19 102.73 1zrf n GLY 45 Ca -0.18 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.55 1zrf n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zrf s SER 46 N -1.41 0.08 0.20 1.61 1.04 -1.26 -2.32 113.70 111.63 1zrf s SER 46 Ca 0.00 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.14 1zrf s SER 46 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 1zrf s SER 46 CO 0.00 -0.39 0.04 0.68 0.98 0.00 0.00 173.24 174.55 1zrf s VAL 47 N -1.60 0.60 -0.08 5.02 -7.23 0.03 -0.48 120.40 116.66 1zrf s VAL 47 Ca -0.13 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.10 1zrf s VAL 47 Cb -0.07 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.55 1zrf s VAL 47 CO 0.00 -0.29 -0.24 0.00 -0.31 0.00 0.00 175.10 174.26 1zrf s ALA 48 N -3.71 2.18 -0.19 1.32 0.00 -0.09 -0.91 121.76 120.36 1zrf s ALA 48 Ca 0.29 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1zrf s ALA 48 Cb 0.07 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1zrf s ALA 48 CO 0.08 0.35 0.25 0.08 0.00 0.00 0.00 175.76 176.52 1zrf s VAL 49 N 0.08 5.32 0.07 0.00 1.01 0.16 -1.48 120.40 125.57 1zrf s VAL 49 Ca -0.11 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 1zrf s VAL 49 Cb -0.16 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1zrf s VAL 49 CO 0.06 0.37 0.16 -1.48 0.00 0.00 0.00 175.10 174.21 1zrf s LEU 50 N 0.69 1.56 0.21 3.92 0.05 0.10 -0.70 118.68 124.51 1zrf s LEU 50 Ca 0.13 -0.65 0.06 0.00 0.05 0.00 0.00 54.13 53.73 1zrf s LEU 50 Cb -0.13 0.91 -0.05 0.00 -2.05 0.00 0.00 46.19 44.87 1zrf s LEU 50 CO 0.03 -0.68 -0.09 0.27 -0.55 0.00 0.00 176.35 175.33 1zrf s ILE 51 N -3.63 1.44 0.06 1.48 -4.36 -0.85 -0.37 121.20 114.97 1zrf s ILE 51 Ca 0.03 -2.12 -0.07 0.00 -0.26 0.00 0.00 60.65 58.23 1zrf s ILE 51 Cb 0.04 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.61 1zrf s ILE 51 CO -0.10 -0.52 0.14 -1.59 0.24 0.00 0.00 174.94 173.12 1zrf s LYS 52 N -3.73 0.71 0.39 0.37 -2.85 -1.26 -1.06 119.74 112.31 1zrf s LYS 52 Ca 0.24 -0.85 -0.02 0.00 -1.00 0.00 0.00 55.97 54.34 1zrf s LYS 52 Cb 0.02 0.29 0.08 0.00 -2.06 0.00 0.00 37.83 36.16 1zrf s LYS 52 CO 0.07 -0.20 0.53 -0.40 0.10 0.00 0.00 175.35 175.45 1zrf n ASP 53 N 0.37 0.54 0.26 0.03 3.85 -0.35 -4.95 116.55 116.31 1zrf n ASP 53 Ca -0.17 -1.50 0.12 0.00 -0.71 0.00 0.00 54.79 52.53 1zrf n ASP 53 Cb 0.60 -0.36 0.72 0.00 -1.35 0.00 0.00 41.12 40.73 1zrf n ASP 53 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1zrf h GLU 54 N 0.00 0.00 -0.54 0.11 9.09 -2.03 -2.48 114.58 118.74 1zrf h GLU 54 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 1zrf h GLU 54 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 1zrf h GLU 54 CO 0.17 0.11 0.00 0.39 0.05 0.00 0.00 179.01 179.73 1zrf n GLU 55 N -3.80 2.45 -0.21 1.06 1.02 -1.26 -4.94 120.64 114.96 1zrf n GLU 55 Ca -0.02 -2.24 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 1zrf n GLU 55 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1zrf n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zrf n GLY 56 N 1.50 0.82 3.77 0.62 0.00 -0.93 -5.04 105.19 105.92 1zrf n GLY 56 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1zrf n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zrf s LYS 57 N -0.65 4.17 -0.01 1.61 1.02 -1.26 -4.74 119.74 119.88 1zrf s LYS 57 Ca 0.00 2.49 0.04 0.00 0.02 0.00 0.00 55.97 58.52 1zrf s LYS 57 Cb 0.00 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1zrf s LYS 57 CO 0.00 -0.50 -0.12 -1.21 -0.92 0.00 0.00 175.35 172.60 1zrf s GLU 58 N -1.39 2.42 -0.12 1.68 2.02 -1.26 -1.21 118.70 120.83 1zrf s GLU 58 Ca 0.56 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.79 1zrf s GLU 58 Cb -0.45 -2.38 0.02 0.00 0.10 0.00 0.00 34.13 31.42 1zrf s GLU 58 CO 0.55 0.60 -0.15 1.41 0.02 0.00 0.00 175.26 177.68 1zrf s MET 59 N -1.14 2.29 -0.21 1.61 -2.45 -0.22 -4.55 119.30 114.62 1zrf s MET 59 Ca 0.14 -0.58 -0.24 0.00 -1.25 0.00 0.00 55.69 53.77 1zrf s MET 59 Cb -0.11 -1.99 -0.01 0.00 1.25 0.00 0.00 34.83 33.97 1zrf s MET 59 CO 0.04 -0.12 0.77 0.42 1.05 0.00 0.00 175.02 177.18 1zrf s ILE 60 N 1.15 4.90 -0.01 10.11 1.01 0.25 -2.02 121.20 136.60 1zrf s ILE 60 Ca -0.03 1.46 0.09 0.00 0.00 0.00 0.00 60.65 62.17 1zrf s ILE 60 Cb -0.14 -4.07 -0.23 0.00 0.01 0.00 0.00 42.46 38.03 1zrf s ILE 60 CO -0.05 0.01 0.81 -0.07 0.00 0.00 0.00 174.94 175.64 1zrf h LEU 61 N 8.69 0.06 -7.00 2.97 3.38 -1.24 -3.44 115.31 118.72 1zrf h LEU 61 Ca -0.27 -0.10 0.29 0.00 0.09 0.00 0.00 57.88 57.89 1zrf h LEU 61 Cb 1.12 -0.02 -0.19 0.00 0.09 0.00 0.00 40.66 41.65 1zrf h LEU 61 CO 0.83 1.09 0.88 -0.55 0.09 0.00 0.00 178.44 180.78 1zrf s SER 62 N -6.36 -0.08 -0.10 -0.43 0.15 -1.18 -4.91 113.70 100.78 1zrf s SER 62 Ca -0.05 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1zrf s SER 62 Cb 0.08 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1zrf s SER 62 CO 0.82 -0.15 -0.10 -0.31 1.20 0.00 0.00 173.24 174.71 1zrf s TYR 63 N -2.26 2.86 0.15 3.44 2.02 -1.26 0.37 117.35 122.68 1zrf s TYR 63 Ca 0.10 -0.29 0.10 0.00 -0.37 0.00 0.00 57.07 56.62 1zrf s TYR 63 Cb -0.01 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1zrf s TYR 63 CO -0.04 0.05 -0.24 -0.51 -1.57 0.00 0.00 175.55 173.25 1zrf s LEU 64 N -0.19 2.38 0.00 -1.29 1.43 -0.09 -4.97 118.68 115.95 1zrf s LEU 64 Ca 0.01 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1zrf s LEU 64 Cb -0.13 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 1zrf s LEU 64 CO 0.03 0.11 0.16 0.59 0.23 0.00 0.00 176.35 177.46 1zrf n ASN 65 N 0.60 0.90 -4.68 2.29 3.02 -1.26 -0.79 115.26 115.34 1zrf n ASN 65 Ca -0.15 -3.02 -0.44 0.00 -0.03 0.00 0.00 54.58 50.93 1zrf n ASN 65 Cb 0.55 1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 40.75 1zrf n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zrf n GLN 66 N -0.81 2.06 0.00 3.52 10.64 -0.98 -1.02 117.38 130.79 1zrf n GLN 66 Ca -0.03 0.73 0.00 0.00 -1.83 0.00 0.00 57.00 55.87 1zrf n GLN 66 Cb 0.57 -2.39 0.00 0.00 -0.86 0.00 0.00 30.24 27.56 1zrf n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1zrf n GLY 67 N 2.05 3.15 3.77 2.61 0.00 0.08 -5.01 105.19 111.84 1zrf n GLY 67 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1zrf n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zrf s ASP 68 N -1.15 7.34 0.41 1.61 1.01 -0.19 -4.84 116.67 120.86 1zrf s ASP 68 Ca 0.00 1.59 -0.11 0.00 0.71 0.00 0.00 52.55 54.74 1zrf s ASP 68 Cb 0.00 -2.48 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 1zrf s ASP 68 CO 0.00 0.19 0.78 -0.36 0.21 0.00 0.00 175.17 175.99 1zrf s PHE 69 N -0.98 3.47 0.02 4.23 0.40 -1.26 -1.34 117.98 122.51 1zrf s PHE 69 Ca 0.36 1.08 -0.00 0.00 -0.60 0.00 0.00 56.93 57.76 1zrf s PHE 69 Cb -0.22 -2.47 -0.02 0.00 0.51 0.00 0.00 43.02 40.82 1zrf s PHE 69 CO 0.25 -0.11 -0.03 0.42 0.70 0.00 0.00 175.22 176.45 1zrf s ILE 70 N -2.37 0.11 -0.65 0.64 1.01 0.30 -4.85 121.20 115.38 1zrf s ILE 70 Ca 0.52 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1zrf s ILE 70 Cb -0.10 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.09 1zrf s ILE 70 CO 0.31 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1zrf n GLY 71 N 1.58 0.31 0.15 6.18 0.00 -1.26 -0.55 105.19 111.60 1zrf n GLY 71 Ca -0.24 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.20 1zrf n GLY 71 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1zrf h GLU 72 N 0.00 0.00 0.00 1.61 9.09 -1.89 -3.37 114.58 120.02 1zrf h GLU 72 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.25 1zrf h GLU 72 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 1zrf h GLU 72 CO 0.20 0.34 0.00 -0.07 0.05 0.00 0.00 179.01 179.54 1zrf h LEU 73 N 0.00 0.00 -0.56 3.06 3.38 -1.96 -1.68 115.31 117.55 1zrf h LEU 73 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1zrf h LEU 73 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1zrf h LEU 73 CO 0.05 0.00 -0.31 0.61 0.09 0.00 0.00 178.44 178.87 1zrf n GLY 74 N -1.10 -0.52 0.31 0.83 0.00 -1.26 -4.43 105.19 99.03 1zrf n GLY 74 Ca -0.03 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1zrf n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1zrf h LEU 75 N 1.36 0.66 -0.34 0.99 5.85 -1.56 -3.26 115.31 119.01 1zrf h LEU 75 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1zrf h LEU 75 Cb 0.55 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1zrf h LEU 75 CO 0.00 0.56 -0.11 0.49 -0.34 0.00 0.00 178.44 179.04 1zrf n PHE 76 N -4.38 0.00 -3.64 1.25 3.01 -1.26 -4.83 117.46 107.60 1zrf n PHE 76 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.43 1zrf n PHE 76 Cb 0.12 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.38 1zrf n PHE 76 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1zrf s GLU 77 N -2.37 0.71 0.83 -1.08 2.12 -1.23 -5.17 118.70 112.50 1zrf s GLU 77 Ca 0.31 1.18 -0.12 0.00 0.36 0.00 0.00 54.97 56.71 1zrf s GLU 77 Cb 0.20 0.16 0.09 0.00 0.26 0.00 0.00 34.13 34.84 1zrf s GLU 77 CO 0.45 -0.14 1.10 -1.21 -0.54 0.00 0.00 175.26 174.92 1zrf s GLU 78 N 1.49 1.85 -0.00 4.30 0.41 -1.26 -3.98 118.70 121.50 1zrf s GLU 78 Ca -0.09 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.12 1zrf s GLU 78 Cb -0.05 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.41 1zrf s GLU 78 CO -0.17 -1.78 0.00 0.41 -0.49 0.00 0.00 175.26 173.22 1zrf n GLY 79 N -1.93 0.48 3.86 -1.39 0.00 -1.26 -5.03 105.19 99.92 1zrf n GLY 79 Ca 0.07 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1zrf n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1zrf s GLN 80 N -0.21 3.90 0.14 1.61 -1.52 -1.26 -4.98 119.66 117.35 1zrf s GLN 80 Ca 0.00 0.62 0.07 0.00 -1.95 0.00 0.00 55.36 54.10 1zrf s GLN 80 Cb 0.00 -2.37 -0.04 0.00 -0.22 0.00 0.00 33.01 30.38 1zrf s GLN 80 CO 0.00 0.02 -0.05 -1.21 -0.25 0.00 0.00 175.29 173.80 1zrf s GLU 81 N -3.50 2.26 0.24 2.91 2.02 -1.26 -1.22 118.70 120.15 1zrf s GLU 81 Ca 0.54 -1.08 -0.31 0.00 0.02 0.00 0.00 54.97 54.13 1zrf s GLU 81 Cb -0.10 -2.32 -0.12 0.00 0.10 0.00 0.00 34.13 31.69 1zrf s GLU 81 CO 0.25 0.48 1.69 0.54 0.02 0.00 0.00 175.26 178.24 1zrf n ARG 82 N 0.25 2.78 0.01 1.61 5.12 0.76 -4.82 116.66 122.38 1zrf n ARG 82 Ca -0.11 1.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.94 1zrf n ARG 82 Cb 0.54 -2.83 0.45 0.00 -1.16 0.00 0.00 32.46 29.45 1zrf n ARG 82 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1zrf n SER 83 N 3.39 0.28 -3.49 0.55 3.41 -1.26 -1.19 113.62 115.30 1zrf n SER 83 Ca 0.13 0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 58.90 1zrf n SER 83 Cb 0.36 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1zrf n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zrf s ALA 84 N -3.02 -1.24 0.13 7.33 0.00 -1.26 -4.93 121.76 118.78 1zrf s ALA 84 Ca 0.12 -0.34 -0.07 0.00 0.00 0.00 0.00 51.96 51.67 1zrf s ALA 84 Cb 0.18 0.74 -0.06 0.00 0.00 0.00 0.00 23.12 23.98 1zrf s ALA 84 CO 0.61 -1.03 0.41 -1.58 0.00 0.00 0.00 175.76 174.16 1zrf s TRP 85 N -3.05 3.51 -0.11 0.00 0.52 0.50 -3.45 118.94 116.86 1zrf s TRP 85 Ca 0.14 0.68 0.00 0.00 0.02 0.00 0.00 56.10 56.94 1zrf s TRP 85 Cb -0.04 -2.09 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 1zrf s TRP 85 CO 0.07 0.44 -0.09 0.08 0.02 0.00 0.00 176.95 177.47 1zrf s VAL 86 N -1.59 1.08 -0.05 4.03 1.01 -0.59 -0.72 120.40 123.58 1zrf s VAL 86 Ca 0.39 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.09 1zrf s VAL 86 Cb -0.13 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1zrf s VAL 86 CO 0.22 0.37 -0.25 -0.60 0.00 0.00 0.00 175.10 174.84 1zrf s ARG 87 N 1.49 2.37 0.06 2.72 3.52 -0.55 -0.82 118.95 127.73 1zrf s ARG 87 Ca 0.01 -0.89 -0.31 0.00 -0.13 0.00 0.00 55.73 54.41 1zrf s ARG 87 Cb -0.13 -2.08 -0.07 0.00 -1.56 0.00 0.00 34.95 31.11 1zrf s ARG 87 CO -0.06 0.42 1.50 0.00 -0.81 0.00 0.00 175.30 176.35 1zrf s ALA 88 N -0.28 3.63 -0.03 6.12 0.00 0.43 -0.91 121.76 130.73 1zrf s ALA 88 Ca 0.00 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1zrf s ALA 88 Cb -0.12 -3.62 -0.26 0.00 0.00 0.00 0.00 23.12 19.11 1zrf s ALA 88 CO 0.02 -0.92 0.73 -0.22 0.00 0.00 0.00 175.76 175.37 1zrf h LYS 89 N 7.76 0.17 0.00 0.00 3.64 -1.10 0.03 116.57 127.08 1zrf h LYS 89 Ca -0.41 -0.30 -0.14 0.00 -1.27 0.00 0.00 60.65 58.54 1zrf h LYS 89 Cb 1.19 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1zrf h LYS 89 CO 0.91 0.97 -0.12 0.25 -2.27 0.00 0.00 179.45 179.19 1zrf n THR 90 N -3.35 0.00 -2.25 1.00 -2.24 -1.13 -4.61 114.28 101.70 1zrf n THR 90 Ca -0.19 -0.60 -0.37 0.00 -2.27 0.00 0.00 64.05 60.62 1zrf n THR 90 Cb 1.04 0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1zrf n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zrf s ALA 91 N -2.29 2.94 0.02 6.98 0.00 -1.26 -3.80 121.76 124.36 1zrf s ALA 91 Ca 0.06 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1zrf s ALA 91 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1zrf s ALA 91 CO 0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 175.76 175.05 1zrf s GLU 93 N -0.96 2.81 -0.04 0.00 2.12 -0.38 -0.10 118.70 122.15 1zrf s GLU 93 Ca -0.05 -0.98 0.04 0.00 0.36 0.00 0.00 54.97 54.34 1zrf s GLU 93 Cb -0.07 -2.87 -0.00 0.00 0.26 0.00 0.00 34.13 31.45 1zrf s GLU 93 CO 0.00 -0.37 -0.17 0.08 -0.54 0.00 0.00 175.26 174.26 1zrf s VAL 94 N 1.29 1.40 -0.07 3.70 1.01 0.00 -0.75 120.40 126.99 1zrf s VAL 94 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1zrf s VAL 94 Cb -0.16 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 1zrf s VAL 94 CO -0.06 0.41 0.29 0.00 0.00 0.00 0.00 175.10 175.73 1zrf s ALA 95 N 0.01 3.75 0.00 5.51 0.00 -0.11 -1.70 121.76 129.22 1zrf s ALA 95 Ca -0.03 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.58 1zrf s ALA 95 Cb -0.11 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 1zrf s ALA 95 CO 0.02 0.47 -0.19 -2.00 0.00 0.00 0.00 175.76 174.06 1zrf s GLU 96 N -0.82 1.45 -0.11 0.00 2.12 -0.06 -0.66 118.70 120.62 1zrf s GLU 96 Ca 0.19 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.68 1zrf s GLU 96 Cb -0.14 -1.44 0.03 0.00 0.26 0.00 0.00 34.13 32.84 1zrf s GLU 96 CO 0.08 0.39 0.34 -1.50 -0.54 0.00 0.00 175.26 174.03 1zrf s ILE 97 N -0.53 0.01 0.64 -3.70 2.07 -0.44 -1.60 121.20 117.64 1zrf s ILE 97 Ca 0.07 -0.08 -0.17 0.00 -1.41 0.00 0.00 60.65 59.06 1zrf s ILE 97 Cb -0.08 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 1zrf s ILE 97 CO -0.00 -0.04 1.18 -0.94 -1.91 0.00 0.00 174.94 173.23 1zrf s SER 98 N -0.06 4.97 0.29 4.50 1.04 -1.26 -0.56 113.70 122.61 1zrf s SER 98 Ca -0.02 2.29 -0.02 0.00 0.48 0.00 0.00 55.95 58.68 1zrf s SER 98 Cb -0.03 -2.59 0.43 0.00 0.10 0.00 0.00 66.02 63.93 1zrf s SER 98 CO 0.01 -1.74 1.93 1.88 0.98 0.00 0.00 173.24 176.30 1zrf h TYR 99 N 0.45 1.00 -0.38 5.02 0.05 -1.47 -1.16 116.97 120.48 1zrf h TYR 99 Ca -0.49 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.32 1zrf h TYR 99 Cb 1.28 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.66 1zrf h TYR 99 CO 0.49 0.68 0.14 -0.22 -1.05 0.00 0.00 178.16 178.20 1zrf h LYS 100 N 1.04 0.30 0.00 4.88 3.64 -1.91 -1.49 116.57 123.02 1zrf h LYS 100 Ca 0.27 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.43 1zrf h LYS 100 Cb -0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1zrf h LYS 100 CO -0.05 0.20 -0.87 -0.22 -2.27 0.00 0.00 179.45 176.24 1zrf h LYS 101 N 0.31 0.17 -0.82 1.90 1.63 -1.87 -3.17 116.57 114.72 1zrf h LYS 101 Ca 0.17 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1zrf h LYS 101 Cb 0.14 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 1zrf h LYS 101 CO -0.17 0.93 0.47 0.35 -3.45 0.00 0.00 179.45 177.59 1zrf h PHE 102 N 0.09 1.10 -0.09 1.91 3.57 -0.88 -1.38 116.94 121.27 1zrf h PHE 102 Ca -0.04 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1zrf h PHE 102 Cb 1.50 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1zrf h PHE 102 CO 0.03 0.75 -0.28 0.00 -2.23 0.00 0.00 178.31 176.58 1zrf h ARG 103 N 1.14 0.16 -0.43 1.11 3.08 -1.26 -1.49 114.38 116.69 1zrf h ARG 103 Ca 0.29 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 60.15 1zrf h ARG 103 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1zrf h ARG 103 CO -0.05 0.43 -0.28 1.96 -1.07 0.00 0.00 179.97 180.95 1zrf h GLN 104 N 0.14 0.95 -0.28 0.04 4.20 -1.27 -2.65 115.11 116.24 1zrf h GLN 104 Ca 0.02 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 58.25 1zrf h GLN 104 Cb 0.57 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1zrf h GLN 104 CO 0.04 1.11 0.01 -0.07 -0.67 0.00 0.00 178.83 179.25 1zrf h LEU 105 N 0.78 0.39 -1.00 1.46 3.38 -0.75 -1.86 115.31 117.71 1zrf h LEU 105 Ca 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1zrf h LEU 105 Cb 0.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1zrf h LEU 105 CO 0.08 0.45 -0.09 0.40 0.09 0.00 0.00 178.44 179.37 1zrf h ILE 106 N 0.41 1.24 -0.81 1.22 2.04 -1.04 -0.45 117.51 120.12 1zrf h ILE 106 Ca 0.09 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1zrf h ILE 106 Cb 0.26 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1zrf h ILE 106 CO 0.01 0.35 0.53 -0.61 0.00 0.00 0.00 178.15 178.43 1zrf h GLN 107 N 0.57 1.07 0.00 2.37 4.15 -0.99 -2.02 115.11 120.26 1zrf h GLN 107 Ca 0.11 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 1zrf h GLN 107 Cb 0.50 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1zrf h GLN 107 CO 0.03 0.71 -0.81 -0.39 -1.93 0.00 0.00 178.83 176.44 1zrf h VAL 108 N 1.10 0.58 -1.75 2.39 -1.51 -1.31 -3.42 116.25 112.32 1zrf h VAL 108 Ca 0.30 -1.91 -0.36 0.00 -1.23 0.00 0.00 66.70 63.50 1zrf h VAL 108 Cb -0.12 2.16 -0.28 0.00 -2.13 0.00 0.00 31.29 30.92 1zrf h VAL 108 CO -0.06 0.33 -0.71 0.21 -1.23 0.00 0.00 177.57 176.10 1zrf s ASN 109 N -6.10 0.32 0.23 4.19 2.47 -0.21 -5.02 114.94 110.82 1zrf s ASN 109 Ca 0.02 -2.07 0.14 0.00 0.42 0.00 0.00 52.86 51.37 1zrf s ASN 109 Cb 0.08 0.71 0.79 0.00 -1.45 0.00 0.00 41.25 41.38 1zrf s ASN 109 CO 0.76 -0.16 1.43 -0.81 -3.72 0.00 0.00 177.10 174.60 1zrf n PRO 110 N 3.41 0.09 0.11 0.43 -0.04 -0.78 -2.39 135.00 135.83 1zrf n PRO 110 Ca 0.19 0.58 0.09 0.00 -0.04 0.00 0.00 63.50 64.32 1zrf n PRO 110 Cb 0.50 -1.84 0.56 0.00 -0.04 0.00 0.00 33.50 32.68 1zrf n PRO 110 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zrf h ASP 111 N 0.00 0.19 -0.26 3.54 3.32 -1.95 -1.31 116.42 119.95 1zrf h ASP 111 Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1zrf h ASP 111 Cb 0.07 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1zrf h ASP 111 CO 0.00 0.13 0.13 0.16 -1.72 0.00 0.00 179.24 177.94 1zrf h ILE 112 N 0.22 1.11 -0.05 0.35 3.07 -1.85 -1.44 117.51 118.93 1zrf h ILE 112 Ca 0.11 -0.34 -0.17 0.00 1.55 0.00 0.00 64.86 66.01 1zrf h ILE 112 Cb 0.17 0.75 -0.01 0.00 -0.27 0.00 0.00 36.82 37.46 1zrf h ILE 112 CO -0.02 0.13 -0.71 0.25 -1.05 0.00 0.00 178.15 176.75 1zrf h LEU 113 N 0.42 0.31 -0.66 0.16 5.85 -1.47 -2.54 115.31 117.38 1zrf h LEU 113 Ca 0.11 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1zrf h LEU 113 Cb 0.07 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1zrf h LEU 113 CO -0.01 0.92 0.23 -0.03 -0.34 0.00 0.00 178.44 179.21 1zrf h MET 114 N 0.18 1.00 -0.31 1.25 4.05 -1.13 0.75 114.93 120.72 1zrf h MET 114 Ca -0.02 -0.20 -0.04 0.00 -0.28 0.00 0.00 59.70 59.16 1zrf h MET 114 Cb 1.27 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.90 1zrf h MET 114 CO 0.11 0.86 0.05 -0.09 0.23 0.00 0.00 176.91 178.07 1zrf h ARG 115 N 0.94 0.52 -0.72 0.39 9.65 -1.32 -1.41 114.38 122.42 1zrf h ARG 115 Ca 0.21 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1zrf h ARG 115 Cb 0.26 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1zrf h ARG 115 CO -0.01 0.62 0.24 1.25 2.80 0.00 0.00 179.97 184.86 1zrf h LEU 116 N 0.34 1.04 -0.58 3.80 6.46 -1.18 -2.40 115.31 122.78 1zrf h LEU 116 Ca 0.09 -0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.59 1zrf h LEU 116 Cb 0.35 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 1zrf h LEU 116 CO 0.01 0.96 0.12 0.28 -0.62 0.00 0.00 178.44 179.19 1zrf h SER 117 N 1.06 0.90 -0.81 1.25 0.02 -0.71 -2.31 113.55 112.95 1zrf h SER 117 Ca 0.23 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1zrf h SER 117 Cb 0.29 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1zrf h SER 117 CO -0.01 0.91 0.50 0.00 -1.14 0.00 0.00 176.83 177.10 1zrf h ALA 118 N 1.02 1.03 -0.68 3.77 0.00 -1.01 -0.91 119.26 122.48 1zrf h ALA 118 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1zrf h ALA 118 Cb 0.38 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1zrf h ALA 118 CO 0.01 0.48 0.23 1.96 0.00 0.00 0.00 179.25 181.92 1zrf h GLN 119 N 1.10 1.05 -0.43 0.00 4.20 -1.19 -1.74 115.11 118.10 1zrf h GLN 119 Ca 0.29 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1zrf h GLN 119 Cb -0.07 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1zrf h GLN 119 CO -0.06 0.91 -0.03 0.52 -0.67 0.00 0.00 178.83 179.49 1zrf h MET 120 N 0.99 0.73 -0.49 1.46 2.86 -1.00 -1.70 114.93 117.78 1zrf h MET 120 Ca 0.22 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1zrf h MET 120 Cb 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1zrf h MET 120 CO -0.01 0.76 0.18 0.00 1.06 0.00 0.00 176.91 178.90 1zrf h ALA 121 N 1.29 0.64 -0.63 6.32 0.00 -0.72 -1.16 119.26 124.99 1zrf h ALA 121 Ca 0.13 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1zrf h ALA 121 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1zrf h ALA 121 CO 0.02 0.26 0.20 -0.09 0.00 0.00 0.00 179.25 179.64 1zrf h ARG 122 N 0.65 0.98 -0.32 0.00 9.65 -1.08 -2.28 114.38 121.98 1zrf h ARG 122 Ca 0.16 -0.21 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 1zrf h ARG 122 Cb 0.22 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1zrf h ARG 122 CO -0.01 0.86 -0.02 0.00 2.80 0.00 0.00 179.97 183.60 1zrf h ARG 123 N 0.90 0.50 -0.37 0.20 3.08 -1.06 -1.76 114.38 115.88 1zrf h ARG 123 Ca 0.20 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 1zrf h ARG 123 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1zrf h ARG 123 CO -0.01 0.54 -0.32 1.25 -1.07 0.00 0.00 179.97 180.37 1zrf h LEU 124 N 0.48 0.92 -0.44 3.04 5.85 -0.90 -1.09 115.31 123.18 1zrf h LEU 124 Ca 0.10 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1zrf h LEU 124 Cb 0.34 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1zrf h LEU 124 CO 0.01 1.18 0.24 1.56 -0.34 0.00 0.00 178.44 181.10 1zrf h GLN 125 N 0.67 0.61 -0.43 1.25 4.20 -1.05 -0.89 115.11 119.48 1zrf h GLN 125 Ca 0.07 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1zrf h GLN 125 Cb 0.90 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1zrf h GLN 125 CO 0.08 0.49 0.13 0.28 -0.67 0.00 0.00 178.83 179.14 1zrf h VAL 126 N 0.57 1.22 -0.12 -0.54 2.07 -1.25 -2.28 116.25 115.93 1zrf h VAL 126 Ca 0.15 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1zrf h VAL 126 Cb 0.05 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1zrf h VAL 126 CO -0.02 0.26 -0.38 0.74 0.02 0.00 0.00 177.57 178.19 1zrf h THR 127 N 0.55 1.30 -0.33 2.57 2.02 -1.09 -2.22 112.91 115.71 1zrf h THR 127 Ca 0.14 -1.44 -0.11 0.00 0.77 0.00 0.00 66.41 65.76 1zrf h THR 127 Cb 0.27 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1zrf h THR 127 CO -0.00 0.43 -0.27 0.28 0.37 0.00 0.00 175.52 176.33 1zrf h SER 128 N 0.21 0.68 -0.15 4.18 0.02 -1.00 -2.43 113.55 115.06 1zrf h SER 128 Ca 0.02 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1zrf h SER 128 Cb 0.77 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1zrf h SER 128 CO 0.06 0.92 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.43 1zrf h GLU 129 N 0.57 0.54 -0.58 3.45 4.81 -1.02 -2.37 114.58 119.98 1zrf h GLU 129 Ca 0.08 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1zrf h GLU 129 Cb 0.75 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 1zrf h GLU 129 CO 0.06 0.68 0.11 0.87 -0.73 0.00 0.00 179.01 180.01 1zrf h LYS 130 N 0.50 0.95 -0.65 1.92 1.57 -1.08 -0.34 116.57 119.42 1zrf h LYS 130 Ca 0.09 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1zrf h LYS 130 Cb 0.56 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1zrf h LYS 130 CO 0.04 0.89 0.37 0.28 -0.57 0.00 0.00 179.45 180.46 1zrf h VAL 131 N 0.85 0.99 -0.08 0.50 2.07 -1.13 -1.20 116.25 118.25 1zrf h VAL 131 Ca 0.18 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1zrf h VAL 131 Cb 0.39 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1zrf h VAL 131 CO 0.01 0.13 0.04 1.23 0.02 0.00 0.00 177.57 178.99 1zrf h GLY 132 N 0.69 0.13 0.60 2.17 0.00 -0.90 -1.67 103.07 104.09 1zrf h GLY 132 Ca 0.29 -0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.61 1zrf h GLY 132 CO -0.16 0.06 0.23 3.43 0.00 0.00 0.00 176.54 180.09 1zrf h ASN 133 N 0.01 0.28 -0.18 0.19 -0.26 -0.73 0.11 115.58 115.00 1zrf h ASN 133 Ca 0.03 0.05 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 1zrf h ASN 133 Cb 0.12 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 1zrf h ASN 133 CO -0.00 0.19 -0.05 -0.07 -1.06 0.00 0.00 177.43 176.44 1zrf h LEU 134 N 0.43 0.47 0.16 1.61 3.38 -1.14 0.76 115.31 120.99 1zrf h LEU 134 Ca 0.24 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 57.82 1zrf h LEU 134 Cb 0.22 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1zrf h LEU 134 CO -0.21 0.57 -1.35 0.00 0.09 0.00 0.00 178.44 177.54 1zrf h ALA 135 N 1.48 0.05 0.00 1.53 0.00 -0.56 -3.40 119.26 118.36 1zrf h ALA 135 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1zrf h ALA 135 Cb 0.39 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1zrf h ALA 135 CO 0.02 0.92 -1.46 1.19 0.00 0.00 0.00 179.25 179.91 1zrf n PHE 136 N -3.57 0.00 -4.51 0.00 3.72 0.30 -5.01 117.46 108.37 1zrf n PHE 136 Ca -0.12 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.95 1zrf n PHE 136 Cb 1.05 -0.27 -0.11 0.00 -0.94 0.00 0.00 39.48 39.22 1zrf n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1zrf s LEU 137 N -3.74 3.24 0.87 4.37 1.43 0.25 -5.06 118.68 120.04 1zrf s LEU 137 Ca -0.03 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1zrf s LEU 137 Cb 0.10 -1.78 0.11 0.00 0.03 0.00 0.00 46.19 44.66 1zrf s LEU 137 CO 0.64 0.33 1.17 1.51 0.23 0.00 0.00 176.35 180.23 1zrf s ASP 138 N -1.10 3.96 0.34 2.29 3.84 -1.26 -4.74 116.67 120.00 1zrf s ASP 138 Ca 0.15 0.81 0.02 0.00 -0.00 0.00 0.00 52.55 53.53 1zrf s ASP 138 Cb -0.11 -1.30 0.61 0.00 -1.38 0.00 0.00 42.92 40.74 1zrf s ASP 138 CO 0.04 -2.25 1.98 0.58 -0.00 0.00 0.00 175.17 175.53 1zrf h VAL 139 N -1.29 1.13 -0.55 2.11 2.07 -1.96 -1.66 116.25 116.10 1zrf h VAL 139 Ca -0.48 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1zrf h VAL 139 Cb 1.32 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1zrf h VAL 139 CO 0.62 0.17 0.33 0.74 0.02 0.00 0.00 177.57 179.44 1zrf h THR 140 N 0.90 1.17 -0.63 2.57 2.02 -1.99 -0.34 112.91 116.62 1zrf h THR 140 Ca 0.28 -0.39 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1zrf h THR 140 Cb -0.00 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1zrf h THR 140 CO -0.07 0.17 0.05 1.23 0.37 0.00 0.00 175.52 177.28 1zrf h GLY 141 N 0.74 1.14 0.92 2.16 0.00 -1.76 -1.14 103.07 105.14 1zrf h GLY 141 Ca 0.20 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1zrf h GLY 141 CO -0.04 0.73 -0.00 3.21 0.00 0.00 0.00 176.54 180.44 1zrf h ARG 142 N 0.98 0.63 -0.54 4.80 3.08 -0.86 -2.17 114.38 120.30 1zrf h ARG 142 Ca 0.19 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1zrf h ARG 142 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1zrf h ARG 142 CO 0.02 0.74 0.10 0.82 -1.07 0.00 0.00 179.97 180.58 1zrf h ILE 143 N 0.44 1.25 -0.61 2.04 2.04 -1.03 -0.75 117.51 120.89 1zrf h ILE 143 Ca 0.10 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1zrf h ILE 143 Cb 0.46 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1zrf h ILE 143 CO 0.02 0.34 0.36 0.00 0.00 0.00 0.00 178.15 178.86 1zrf h ALA 144 N 1.00 0.79 -0.37 1.87 0.00 -1.10 0.29 119.26 121.74 1zrf h ALA 144 Ca 0.17 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1zrf h ALA 144 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1zrf h ALA 144 CO 0.01 0.07 -0.37 0.37 0.00 0.00 0.00 179.25 179.33 1zrf h GLN 145 N 0.69 0.87 -0.57 0.00 4.15 -1.22 -2.68 115.11 116.35 1zrf h GLN 145 Ca 0.25 -0.45 -0.07 0.00 0.77 0.00 0.00 58.65 59.16 1zrf h GLN 145 Cb 0.07 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1zrf h GLN 145 CO -0.13 1.09 0.09 1.15 -1.93 0.00 0.00 178.83 179.11 1zrf h THR 146 N 0.72 1.26 -0.82 2.39 2.02 -0.72 -1.49 112.91 116.27 1zrf h THR 146 Ca 0.06 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1zrf h THR 146 Cb 0.95 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1zrf h THR 146 CO 0.09 0.36 0.35 -0.07 0.37 0.00 0.00 175.52 176.62 1zrf h LEU 147 N 0.84 1.11 -0.57 2.58 3.38 -0.89 -1.78 115.31 119.98 1zrf h LEU 147 Ca 0.17 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1zrf h LEU 147 Cb 0.41 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1zrf h LEU 147 CO 0.01 0.96 -0.10 -0.07 0.09 0.00 0.00 178.44 179.34 1zrf h LEU 148 N 1.18 1.04 -0.41 1.67 3.38 -1.29 -2.31 115.31 118.57 1zrf h LEU 148 Ca 0.28 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1zrf h LEU 148 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1zrf h LEU 148 CO -0.03 1.14 0.10 -1.13 0.09 0.00 0.00 178.44 178.61 1zrf h ASN 149 N 0.92 0.62 -0.62 -0.43 -0.73 -0.98 -2.95 115.58 111.41 1zrf h ASN 149 Ca 0.14 -0.23 -0.07 0.00 1.87 0.00 0.00 56.30 58.01 1zrf h ASN 149 Cb 0.67 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1zrf h ASN 149 CO 0.05 0.69 0.10 -0.07 -0.37 0.00 0.00 177.43 177.83 1zrf h LEU 150 N 0.52 0.98 -2.14 0.34 3.38 -1.32 -2.66 115.31 114.41 1zrf h LEU 150 Ca 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1zrf h LEU 150 Cb 0.31 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1zrf h LEU 150 CO 0.00 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1zrf h ALA 151 N 1.02 1.00 -0.38 1.53 0.00 -1.28 -1.98 119.26 119.17 1zrf h ALA 151 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1zrf h ALA 151 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1zrf h ALA 151 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1zrf n LYS 152 N -2.67 2.42 -2.02 0.00 5.02 -1.01 -4.81 118.16 115.09 1zrf n LYS 152 Ca -0.02 -2.09 -0.29 0.00 -2.02 0.00 0.00 58.31 53.88 1zrf n LYS 152 Cb 0.07 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 1zrf n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1zrf s GLN 153 N -1.09 2.98 0.49 1.97 -1.52 -0.74 -4.97 119.66 116.77 1zrf s GLN 153 Ca 0.30 0.38 0.33 0.00 -1.95 0.00 0.00 55.36 54.41 1zrf s GLN 153 Cb 0.17 -2.10 1.48 0.00 -0.22 0.00 0.00 33.01 32.34 1zrf s GLN 153 CO 0.22 -0.88 1.97 -1.00 -0.25 0.00 0.00 175.29 175.35 1zrf h PRO 154 N -0.48 0.00 -0.01 2.91 0.13 -1.94 -2.21 132.00 130.40 1zrf h PRO 154 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1zrf h PRO 154 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1zrf h PRO 154 CO 0.63 0.00 -0.16 -0.40 -0.23 0.00 0.00 178.00 177.83 1zrf n ASP 155 N -2.82 0.93 -4.78 1.44 5.75 -1.26 -4.88 116.55 110.93 1zrf n ASP 155 Ca 0.00 -0.92 -0.36 0.00 -0.01 0.00 0.00 54.79 53.50 1zrf n ASP 155 Cb 0.22 0.05 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 1zrf n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1zrf s ALA 156 N -2.39 3.09 0.02 2.12 0.00 -0.83 -4.98 121.76 118.79 1zrf s ALA 156 Ca 0.29 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 1zrf s ALA 156 Cb 0.20 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1zrf s ALA 156 CO 0.47 -0.15 0.20 -1.64 0.00 0.00 0.00 175.76 174.65 1zrf s MET 157 N -2.50 3.45 0.74 0.00 -1.94 0.14 -4.93 119.30 114.25 1zrf s MET 157 Ca 0.57 -0.35 -0.11 0.00 -1.71 0.00 0.00 55.69 54.09 1zrf s MET 157 Cb -0.21 -3.07 0.03 0.00 2.01 0.00 0.00 34.83 33.60 1zrf s MET 157 CO 0.26 0.64 1.08 -0.08 -0.01 0.00 0.00 175.02 176.91 1zrf s THR 158 N -1.41 3.66 -0.20 2.05 -1.32 -1.26 0.42 115.64 117.57 1zrf s THR 158 Ca 0.31 0.54 -0.24 0.00 -1.21 0.00 0.00 61.69 61.08 1zrf s THR 158 Cb -0.13 -3.17 0.06 0.00 -1.51 0.00 0.00 72.50 67.75 1zrf s THR 158 CO 0.23 -0.70 0.65 -2.28 -2.21 0.00 0.00 174.62 170.31 1zrf s HIS 159 N -2.99 -0.70 0.56 9.09 5.04 -1.06 -4.52 115.29 120.70 1zrf s HIS 159 Ca 0.60 1.60 0.31 0.00 -1.54 0.00 0.00 55.06 56.02 1zrf s HIS 159 Cb -0.15 0.27 1.47 0.00 0.04 0.00 0.00 32.58 34.21 1zrf s HIS 159 CO 0.55 -0.40 1.87 -1.00 -2.34 0.00 0.00 174.74 173.42 1zrf h PRO 160 N 4.64 0.00 -0.09 2.88 0.13 -1.99 -1.37 132.00 136.20 1zrf h PRO 160 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1zrf h PRO 160 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1zrf h PRO 160 CO 0.16 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.68 1zrf n ASP 161 N -4.05 2.92 0.00 1.44 9.92 -1.26 -5.05 116.55 120.47 1zrf n ASP 161 Ca 0.16 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.50 1zrf n ASP 161 Cb 0.89 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 1zrf n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zrf n GLY 162 N 1.25 -0.45 3.07 0.44 0.00 -0.52 -2.92 105.19 106.06 1zrf n GLY 162 Ca 0.14 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1zrf n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1zrf s MET 163 N 0.00 0.55 -0.05 1.61 -1.94 -1.05 -2.58 119.30 115.84 1zrf s MET 163 Ca 0.00 -0.84 0.06 0.00 -1.71 0.00 0.00 55.69 53.20 1zrf s MET 163 Cb 0.00 -0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.61 1zrf s MET 163 CO 0.00 0.02 -0.22 -1.14 -0.01 0.00 0.00 175.02 173.68 1zrf s GLN 164 N -1.95 2.46 0.15 2.03 0.74 0.17 -1.47 119.66 121.78 1zrf s GLN 164 Ca -0.07 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 54.53 1zrf s GLN 164 Cb -0.07 -2.22 -0.04 0.00 1.10 0.00 0.00 33.01 31.78 1zrf s GLN 164 CO -0.01 0.49 -0.06 0.96 -0.55 0.00 0.00 175.29 176.12 1zrf s ILE 165 N -0.42 0.93 -0.18 -2.34 -4.36 -0.73 -0.68 121.20 113.42 1zrf s ILE 165 Ca 0.04 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1zrf s ILE 165 Cb -0.12 -1.91 0.04 0.00 1.25 0.00 0.00 42.46 41.72 1zrf s ILE 165 CO 0.01 -0.68 -0.09 -0.54 0.24 0.00 0.00 174.94 173.88 1zrf s LYS 166 N -3.82 1.86 -0.04 0.37 1.02 -1.26 -1.50 119.74 116.38 1zrf s LYS 166 Ca 0.18 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 1zrf s LYS 166 Cb 0.04 -2.20 0.09 0.00 -0.52 0.00 0.00 37.83 35.24 1zrf s LYS 166 CO 0.01 -0.39 0.78 -1.50 -0.92 0.00 0.00 175.35 173.32 1zrf s ILE 167 N 1.50 0.00 0.42 2.17 2.07 -0.13 -5.01 121.20 122.22 1zrf s ILE 167 Ca 0.01 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.22 1zrf s ILE 167 Cb -0.15 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 1zrf s ILE 167 CO -0.08 0.00 0.68 0.42 -1.91 0.00 0.00 174.94 174.05 1zrf s THR 168 N -1.78 4.99 0.32 4.00 -4.23 -1.26 -4.56 115.64 113.12 1zrf s THR 168 Ca -0.05 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.43 1zrf s THR 168 Cb -0.00 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 70.13 1zrf s THR 168 CO 0.02 -0.71 1.85 0.03 -0.54 0.00 0.00 174.62 175.27 1zrf h ARG 169 N 0.51 0.56 -0.33 3.99 3.08 -1.93 -1.92 114.38 118.33 1zrf h ARG 169 Ca -0.48 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.43 1zrf h ARG 169 Cb 1.21 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1zrf h ARG 169 CO 0.62 0.59 0.15 1.96 -1.07 0.00 0.00 179.97 182.22 1zrf h GLN 170 N 0.53 0.49 -0.43 0.04 4.20 -1.94 -1.30 115.11 116.70 1zrf h GLN 170 Ca 0.11 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1zrf h GLN 170 Cb 0.36 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1zrf h GLN 170 CO 0.01 0.46 -0.07 1.49 -0.67 0.00 0.00 178.83 180.05 1zrf h GLU 171 N 0.40 0.74 -0.79 1.46 4.81 -1.87 -1.22 114.58 118.11 1zrf h GLU 171 Ca 0.11 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1zrf h GLU 171 Cb 0.14 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1zrf h GLU 171 CO -0.01 0.79 0.50 0.82 -0.73 0.00 0.00 179.01 180.38 1zrf h ILE 172 N 0.68 1.22 -0.35 2.32 2.04 -1.13 -1.54 117.51 120.74 1zrf h ILE 172 Ca 0.12 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1zrf h ILE 172 Cb 0.52 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1zrf h ILE 172 CO 0.03 0.22 0.08 1.23 0.00 0.00 0.00 178.15 179.70 1zrf h GLY 173 N 1.08 0.55 2.00 5.37 0.00 -0.50 -0.45 103.07 111.12 1zrf h GLY 173 Ca 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1zrf h GLY 173 CO -0.06 0.27 -0.04 1.46 0.00 0.00 0.00 176.54 178.17 1zrf h GLN 174 N 0.50 0.00 0.01 4.80 4.20 -0.30 0.01 115.11 124.33 1zrf h GLN 174 Ca 0.12 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 1zrf h GLN 174 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1zrf h GLN 174 CO -0.00 0.04 -0.86 0.82 -0.67 0.00 0.00 178.83 178.16 1zrf h ILE 175 N 0.00 1.21 0.00 2.54 2.04 -0.49 0.74 117.51 123.56 1zrf h ILE 175 Ca -0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1zrf h ILE 175 Cb 0.71 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1zrf h ILE 175 CO 0.01 0.43 -0.19 1.33 0.00 0.00 0.00 178.15 179.73 1zrf n VAL 176 N -4.46 0.49 -1.79 1.67 0.24 -0.26 -4.76 118.33 109.46 1zrf n VAL 176 Ca -0.24 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1zrf n VAL 176 Cb 0.63 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1zrf n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1zrf n GLY 177 N 1.33 0.58 3.58 7.63 0.00 -0.06 -4.99 105.19 113.25 1zrf n GLY 177 Ca 0.05 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1zrf n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrf s SER 179 N -3.06 5.72 0.52 0.00 1.04 -1.26 -4.49 113.70 112.17 1zrf s SER 179 Ca 0.23 1.78 0.26 0.00 0.48 0.00 0.00 55.95 58.71 1zrf s SER 179 Cb -0.01 -2.53 1.45 0.00 0.10 0.00 0.00 66.02 65.03 1zrf s SER 179 CO 0.11 -1.21 2.09 0.08 0.98 0.00 0.00 173.24 175.29 1zrf h ARG 180 N 0.25 0.00 -0.25 4.02 0.11 -1.90 -2.42 114.38 114.19 1zrf h ARG 180 Ca -0.46 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.51 1zrf h ARG 180 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 1zrf h ARG 180 CO 0.57 0.11 -0.27 0.93 0.10 0.00 0.00 179.97 181.41 1zrf h GLU 181 N 0.00 0.62 -0.60 0.08 3.07 -1.93 -1.83 114.58 113.99 1zrf h GLU 181 Ca -0.00 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.50 1zrf h GLU 181 Cb 0.27 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1zrf h GLU 181 CO 0.01 0.94 0.30 1.15 -1.40 0.00 0.00 179.01 180.01 1zrf h THR 182 N 0.33 1.21 -0.11 1.13 2.02 -1.84 -1.27 112.91 114.39 1zrf h THR 182 Ca 0.04 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.67 1zrf h THR 182 Cb 0.84 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1zrf h THR 182 CO 0.07 0.23 -0.01 0.58 0.37 0.00 0.00 175.52 176.76 1zrf h VAL 183 N 0.81 0.92 -0.96 3.16 2.07 -1.37 -1.00 116.25 119.88 1zrf h VAL 183 Ca 0.21 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.80 1zrf h VAL 183 Cb 0.10 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 1zrf h VAL 183 CO -0.03 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.40 1zrf h GLY 184 N 0.02 1.49 1.72 2.17 0.00 -1.01 0.38 103.07 107.84 1zrf h GLY 184 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 1zrf h GLY 184 CO -0.09 0.25 -0.52 -0.09 0.00 0.00 0.00 176.54 176.09 1zrf h ARG 185 N 1.05 0.30 0.11 4.80 2.43 -0.84 -2.83 114.38 119.38 1zrf h ARG 185 Ca 0.44 -0.18 -0.28 0.00 -0.81 0.00 0.00 59.98 59.15 1zrf h ARG 185 Cb 0.28 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1zrf h ARG 185 CO -0.21 0.75 -1.20 0.82 -1.51 0.00 0.00 179.97 178.62 1zrf h ILE 186 N 0.23 1.34 -0.63 1.20 2.04 -0.64 -2.76 117.51 118.30 1zrf h ILE 186 Ca 0.01 -2.58 -0.00 0.00 1.00 0.00 0.00 64.86 63.28 1zrf h ILE 186 Cb 0.99 2.70 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 1zrf h ILE 186 CO 0.08 0.78 0.38 -0.07 0.00 0.00 0.00 178.15 179.31 1zrf h LEU 187 N 0.23 0.75 -0.61 1.44 3.38 -0.93 0.14 115.31 119.71 1zrf h LEU 187 Ca -0.16 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 1zrf h LEU 187 Cb 1.88 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1zrf h LEU 187 CO 0.22 0.58 -0.36 0.50 0.09 0.00 0.00 178.44 179.47 1zrf h LYS 188 N 0.87 0.70 -0.46 1.13 1.63 -1.52 -0.97 116.57 117.94 1zrf h LYS 188 Ca 0.23 -0.34 -0.11 0.00 -0.85 0.00 0.00 60.65 59.58 1zrf h LYS 188 Cb -0.03 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1zrf h LYS 188 CO -0.04 0.95 -0.14 0.52 -3.45 0.00 0.00 179.45 177.28 1zrf h MET 189 N 0.58 0.91 -0.70 1.90 2.86 -1.00 -0.94 114.93 118.54 1zrf h MET 189 Ca 0.06 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 1zrf h MET 189 Cb 0.88 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 1zrf h MET 189 CO 0.08 1.02 0.31 -0.07 1.06 0.00 0.00 176.91 179.31 1zrf h LEU 190 N 0.76 0.92 -0.66 1.22 3.38 -0.59 -1.04 115.31 119.30 1zrf h LEU 190 Ca 0.11 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1zrf h LEU 190 Cb 0.70 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1zrf h LEU 190 CO 0.05 0.80 -0.41 -0.08 0.09 0.00 0.00 178.44 178.90 1zrf h GLU 191 N 1.00 0.57 -0.35 1.13 4.81 -0.91 -0.94 114.58 119.89 1zrf h GLU 191 Ca 0.24 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1zrf h GLU 191 Cb 0.15 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1zrf h GLU 191 CO -0.03 0.88 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.65 1zrf h ASP 192 N 0.47 0.53 -0.09 1.04 3.45 -0.62 0.48 116.42 121.68 1zrf h ASP 192 Ca 0.04 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.38 1zrf h ASP 192 Cb 0.91 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 1zrf h ASP 192 CO 0.08 0.63 0.00 0.00 -1.57 0.00 0.00 179.24 178.38 1zrf n GLN 193 N -4.25 1.23 -4.03 3.56 6.02 -0.45 -4.89 117.38 114.57 1zrf n GLN 193 Ca 0.01 -0.33 -0.28 0.00 -0.01 0.00 0.00 57.00 56.40 1zrf n GLN 193 Cb 0.28 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.40 1zrf n GLN 193 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1zrf n ASN 194 N -0.21 -0.77 -0.02 1.08 3.02 0.16 -4.86 115.26 113.66 1zrf n ASN 194 Ca 0.03 -1.03 0.06 0.00 -0.03 0.00 0.00 54.58 53.61 1zrf n ASN 194 Cb 0.10 -2.90 -0.12 0.00 -0.61 0.00 0.00 39.78 36.25 1zrf n ASN 194 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1zrf n LEU 195 N -4.42 0.00 -3.98 3.41 4.77 -0.39 -4.98 117.00 111.41 1zrf n LEU 195 Ca -0.24 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 1zrf n LEU 195 Cb 0.65 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1zrf n LEU 195 CO 0.78 0.05 0.25 0.27 -1.33 0.00 0.00 177.39 177.40 1zrf s ILE 196 N -2.97 0.00 -0.03 -0.08 -4.36 -1.24 -2.16 121.20 110.36 1zrf s ILE 196 Ca -0.06 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1zrf s ILE 196 Cb 0.09 -2.34 0.03 0.00 1.25 0.00 0.00 42.46 41.49 1zrf s ILE 196 CO 0.64 0.00 0.01 -0.94 0.24 0.00 0.00 174.94 174.89 1zrf s SER 197 N -3.05 0.43 -0.04 4.36 1.04 -0.82 -4.23 113.70 111.39 1zrf s SER 197 Ca 0.22 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.63 1zrf s SER 197 Cb -0.02 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.93 1zrf s SER 197 CO 0.11 -0.11 0.00 0.00 0.98 0.00 0.00 173.24 174.22 1zrf s ALA 198 N 1.11 0.45 -0.19 5.32 0.00 -1.26 -0.47 121.76 126.71 1zrf s ALA 198 Ca -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 1zrf s ALA 198 Cb -0.13 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.57 1zrf s ALA 198 CO -0.02 -0.22 0.07 -1.01 0.00 0.00 0.00 175.76 174.58 1zrf s HIS 199 N 1.39 0.63 0.00 0.00 3.76 -0.67 -5.03 115.29 115.37 1zrf s HIS 199 Ca -0.04 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1zrf s HIS 199 Cb -0.13 -0.89 0.00 0.00 1.11 0.00 0.00 32.58 32.67 1zrf s HIS 199 CO -0.03 -0.58 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 1zrf n GLY 200 N 5.16 1.42 0.01 -2.22 0.00 -1.26 -2.63 105.19 105.67 1zrf n GLY 200 Ca -0.08 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.40 1zrf n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zrf n LYS 201 N 12.80 0.16 -3.03 1.61 5.02 -1.26 -4.80 118.16 128.66 1zrf n LYS 201 Ca 0.00 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 1zrf n LYS 201 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 1zrf n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1zrf s THR 202 N -2.85 4.89 -0.08 -0.18 2.01 -1.08 -0.95 115.64 117.40 1zrf s THR 202 Ca 0.19 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.37 1zrf s THR 202 Cb 0.19 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1zrf s THR 202 CO 0.52 -0.11 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.51 1zrf s ILE 203 N 2.72 1.73 -0.22 1.82 1.01 -0.56 -1.67 121.20 126.03 1zrf s ILE 203 Ca 0.29 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1zrf s ILE 203 Cb -0.15 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1zrf s ILE 203 CO 0.10 0.49 0.01 -0.69 0.00 0.00 0.00 174.94 174.85 1zrf s VAL 204 N 0.42 3.96 -0.30 2.92 1.01 0.38 -1.77 120.40 127.02 1zrf s VAL 204 Ca -0.17 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1zrf s VAL 204 Cb -0.17 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1zrf s VAL 204 CO 0.07 0.40 0.35 -0.69 0.00 0.00 0.00 175.10 175.23 1zrf s VAL 205 N 1.26 5.18 0.72 2.92 1.01 -0.54 -1.94 120.40 129.01 1zrf s VAL 205 Ca 0.04 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 1zrf s VAL 205 Cb -0.15 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1zrf s VAL 205 CO 0.01 0.05 1.10 -0.31 0.00 0.00 0.00 175.10 175.95 1zrf s TYR 206 N 2.03 3.18 -1.68 5.22 2.02 -0.92 -2.53 117.35 124.68 1zrf s TYR 206 Ca 0.13 0.88 -0.09 0.00 -0.37 0.00 0.00 57.07 57.61 1zrf s TYR 206 Cb -0.16 -3.17 0.09 0.00 -0.40 0.00 0.00 41.96 38.32 1zrf s TYR 206 CO 0.11 -1.33 0.24 0.41 -1.57 0.00 0.00 175.55 173.41 1zrf n GLY 207 N -3.05 -0.23 0.81 0.71 0.00 -1.15 -4.76 105.19 97.53 1zrf n GLY 207 Ca 0.07 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1zrf n GLY 207 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1zrf n THR 208 N -4.39 0.07 -1.05 2.61 5.66 -1.26 -5.11 114.28 110.81 1zrf n THR 208 Ca -0.16 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1zrf n THR 208 Cb 0.60 1.07 0.00 0.00 -1.55 0.00 0.00 70.33 70.45 1zrf n THR 208 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88