#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrf h PRO 9 N 0.00 0.26 -0.76 -0.24 0.11 -2.05 -1.61 132.00 127.71 1zrf h PRO 9 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1zrf h PRO 9 Cb 0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 1zrf h PRO 9 CO 0.00 0.17 0.42 1.79 -0.21 0.00 0.00 178.00 180.17 1zrf h THR 10 N 0.27 1.23 -0.42 -1.15 1.35 -2.04 0.21 112.91 112.34 1zrf h THR 10 Ca 0.22 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1zrf h THR 10 Cb 0.26 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 1zrf h THR 10 CO -0.26 0.25 0.26 0.25 -0.25 0.00 0.00 175.52 175.77 1zrf h LEU 11 N 1.06 0.50 -0.55 3.87 5.85 -1.85 0.64 115.31 124.83 1zrf h LEU 11 Ca 0.27 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1zrf h LEU 11 Cb 0.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1zrf h LEU 11 CO -0.04 0.40 0.10 -0.33 -0.34 0.00 0.00 178.44 178.23 1zrf h GLU 12 N 0.56 0.90 -0.71 1.25 5.08 -0.95 -0.96 114.58 119.75 1zrf h GLU 12 Ca 0.15 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1zrf h GLU 12 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1zrf h GLU 12 CO -0.03 0.86 0.37 2.35 -1.00 0.00 0.00 179.01 181.56 1zrf h TRP 13 N 0.79 1.00 -0.09 4.33 7.01 -0.02 -1.78 115.95 127.18 1zrf h TRP 13 Ca 0.17 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1zrf h TRP 13 Cb 0.39 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1zrf h TRP 13 CO 0.03 0.72 0.01 0.35 -2.79 0.00 0.00 178.44 176.76 1zrf h PHE 14 N 0.99 0.15 -0.06 2.65 3.57 0.54 -3.12 116.94 121.66 1zrf h PHE 14 Ca 0.25 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1zrf h PHE 14 Cb 0.07 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1zrf h PHE 14 CO 0.00 0.35 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.24 1zrf h LEU 15 N -0.09 0.08 -1.96 0.59 3.38 -1.03 -2.01 115.31 114.27 1zrf h LEU 15 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1zrf h LEU 15 Cb 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1zrf h LEU 15 CO 0.00 0.22 0.00 0.77 0.09 0.00 0.00 178.44 179.52 1zrf h SER 16 N 0.08 0.00 -0.31 -0.43 4.64 -1.26 -1.18 113.55 115.11 1zrf h SER 16 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1zrf h SER 16 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1zrf h SER 16 CO 0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 1zrf n HIS 17 N -2.79 0.39 -3.47 4.77 8.25 -0.76 -5.00 115.22 116.61 1zrf n HIS 17 Ca -0.01 -0.20 -0.20 0.00 -0.26 0.00 0.00 57.72 57.05 1zrf n HIS 17 Cb 0.14 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.45 2.92 -0.15 0.00 5.65 -0.13 -4.89 115.29 116.25 1zrf s HIS 19 Ca 0.49 -0.42 -0.14 0.00 0.25 0.00 0.00 55.06 55.24 1zrf s HIS 19 Cb -0.04 -1.89 -0.05 0.00 -1.18 0.00 0.00 32.58 29.42 1zrf s HIS 19 CO 0.29 -0.08 0.32 0.42 -0.65 0.00 0.00 174.74 175.04 1zrf s ILE 20 N 0.25 5.28 0.23 0.89 -1.09 -1.26 -0.17 121.20 125.34 1zrf s ILE 20 Ca -0.06 0.60 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 1zrf s ILE 20 Cb -0.15 -3.65 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1zrf s ILE 20 CO 0.04 0.40 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.07 1zrf s HIS 21 N 0.35 1.74 0.04 3.97 3.76 0.14 -4.98 115.29 120.32 1zrf s HIS 21 Ca 0.18 -0.70 0.06 0.00 -0.15 0.00 0.00 55.06 54.45 1zrf s HIS 21 Cb -0.13 -0.93 -0.02 0.00 1.11 0.00 0.00 32.58 32.60 1zrf s HIS 21 CO 0.05 0.23 -0.18 0.15 -0.85 0.00 0.00 174.74 174.14 1zrf s LYS 22 N -3.73 1.20 -0.04 1.40 -0.14 -1.26 -0.87 119.74 116.31 1zrf s LYS 22 Ca 0.26 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 54.03 1zrf s LYS 22 Cb 0.03 -1.27 0.03 0.00 -1.68 0.00 0.00 37.83 34.93 1zrf s LYS 22 CO 0.09 0.32 -0.00 0.71 -0.76 0.00 0.00 175.35 175.71 1zrf s TYR 23 N -0.79 0.39 0.71 3.18 1.51 -0.55 -4.99 117.35 116.81 1zrf s TYR 23 Ca 0.05 -0.03 -0.11 0.00 -1.01 0.00 0.00 57.07 55.97 1zrf s TYR 23 Cb -0.08 -0.48 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 1zrf s TYR 23 CO 0.01 -0.16 1.06 -1.25 -1.11 0.00 0.00 175.55 174.11 1zrf s PRO 24 N 1.14 2.85 0.31 -1.71 0.04 -1.26 -0.50 135.00 135.88 1zrf s PRO 24 Ca -0.08 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 1zrf s PRO 24 Cb -0.13 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 1zrf s PRO 24 CO -0.02 -1.14 1.22 0.45 0.04 0.00 0.00 177.00 177.55 1zrf n SER 25 N -3.15 2.32 0.00 6.66 2.88 -1.25 -2.29 113.62 118.79 1zrf n SER 25 Ca 0.07 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1zrf n SER 25 Cb 0.54 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 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 0.81 0.00 -1.60 -1.46 5.02 0.35 -4.98 118.16 116.30 1zrf n LYS 26 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 1zrf n LYS 26 Cb 0.34 -1.29 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 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 -3.45 5.06 -0.29 4.39 1.04 -0.97 -4.70 113.70 114.79 1zrf s SER 27 Ca 0.00 1.45 -0.14 0.00 0.48 0.00 0.00 55.95 57.74 1zrf s SER 27 Cb 0.00 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 1zrf s SER 27 CO 0.00 -1.62 0.33 -0.89 0.98 0.00 0.00 173.24 172.03 1zrf s THR 28 N -3.12 5.20 -0.14 2.02 2.01 -1.26 -1.17 115.64 119.19 1zrf s THR 28 Ca 0.59 0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.79 1zrf s THR 28 Cb -0.14 -3.69 -0.25 0.00 0.01 0.00 0.00 72.50 68.44 1zrf s THR 28 CO 0.54 0.12 0.43 -0.07 -0.69 0.00 0.00 174.62 174.96 1zrf h LEU 29 N 8.58 0.26 -8.11 4.42 4.07 -1.32 -3.47 115.31 119.74 1zrf h LEU 29 Ca -0.32 -0.78 -0.53 0.00 0.08 0.00 0.00 57.88 56.33 1zrf h LEU 29 Cb 1.16 -0.08 -0.32 0.00 1.08 0.00 0.00 40.66 42.50 1zrf h LEU 29 CO 0.63 1.60 -0.82 -0.63 -1.08 0.00 0.00 178.44 178.14 1zrf s ILE 30 N -2.45 1.24 -0.20 1.22 1.01 -1.04 -4.97 121.20 116.01 1zrf s ILE 30 Ca -0.23 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 1zrf s ILE 30 Cb 0.05 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1zrf s ILE 30 CO 0.71 0.37 0.10 -1.00 0.00 0.00 0.00 174.94 175.12 1zrf s HIS 31 N 0.29 3.27 0.26 3.97 3.76 -1.26 -1.34 115.29 124.24 1zrf s HIS 31 Ca -0.08 0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.64 1zrf s HIS 31 Cb -0.13 -2.15 -0.10 0.00 1.11 0.00 0.00 32.58 31.31 1zrf s HIS 31 CO 0.03 0.10 1.37 -1.14 -0.85 0.00 0.00 174.74 174.25 1zrf s GLN 32 N 0.65 4.32 0.00 1.40 0.74 -1.23 -3.06 119.66 122.48 1zrf s GLN 32 Ca 0.05 2.22 0.00 0.00 0.05 0.00 0.00 55.36 57.68 1zrf s GLN 32 Cb -0.13 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1zrf s GLN 32 CO 0.01 -0.31 0.00 0.41 -0.55 0.00 0.00 175.29 174.85 1zrf n GLY 33 N 1.84 2.70 3.89 2.59 0.00 -0.71 -4.96 105.19 110.53 1zrf n GLY 33 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.92 3.32 0.18 1.61 2.02 -1.17 -4.64 118.70 119.10 1zrf s GLU 34 Ca 0.00 0.47 -0.31 0.00 0.02 0.00 0.00 54.97 55.16 1zrf s GLU 34 Cb 0.00 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.99 1zrf s GLU 34 CO 0.00 -0.62 1.42 0.21 0.02 0.00 0.00 175.26 176.28 1zrf s LYS 35 N -5.11 4.30 -0.23 1.61 2.20 -1.26 -0.66 119.74 120.59 1zrf s LYS 35 Ca 0.54 2.18 -0.18 0.00 -0.36 0.00 0.00 55.97 58.15 1zrf s LYS 35 Cb -0.11 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1zrf s LYS 35 CO 0.50 -0.42 0.52 0.00 -0.36 0.00 0.00 175.35 175.60 1zrf s ALA 36 N 0.56 3.57 0.00 3.13 0.00 -0.87 -4.82 121.76 123.33 1zrf s ALA 36 Ca 0.62 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1zrf s ALA 36 Cb -0.39 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1zrf s ALA 36 CO 0.36 -0.59 0.00 0.39 0.00 0.00 0.00 175.76 175.92 1zrf n GLU 37 N 5.17 0.00 -4.11 0.00 1.02 -1.26 -4.78 120.64 116.67 1zrf n GLU 37 Ca -0.04 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 1zrf n GLU 37 Cb 0.50 -0.21 -0.12 0.00 -0.02 0.00 0.00 31.44 31.59 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 0.00 0.60 -0.04 2.62 -4.23 -1.26 -1.18 115.64 112.15 1zrf s THR 38 Ca 0.00 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1zrf s THR 38 Cb 0.00 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1zrf s THR 38 CO 0.00 -0.24 0.06 -0.22 -0.54 0.00 0.00 174.62 173.68 1zrf s LEU 39 N -1.27 3.85 0.16 4.79 2.96 0.15 -4.81 118.68 124.52 1zrf s LEU 39 Ca -0.06 0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 1zrf s LEU 39 Cb -0.08 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1zrf s LEU 39 CO 0.00 0.32 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.89 1zrf s TYR 40 N -1.09 2.53 -0.10 5.38 1.51 -0.26 -0.90 117.35 124.42 1zrf s TYR 40 Ca 0.19 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 1zrf s TYR 40 Cb -0.12 -1.27 0.05 0.00 -0.11 0.00 0.00 41.96 40.51 1zrf s TYR 40 CO 0.09 0.47 0.12 -0.47 -1.11 0.00 0.00 175.55 174.66 1zrf s TYR 41 N -1.53 -0.05 -0.23 2.71 6.14 0.43 -1.04 117.35 123.78 1zrf s TYR 41 Ca 0.22 0.31 -0.29 0.00 0.64 0.00 0.00 57.07 57.95 1zrf s TYR 41 Cb -0.09 -0.41 -0.01 0.00 0.42 0.00 0.00 41.96 41.87 1zrf s TYR 41 CO 0.12 -0.32 1.29 0.42 0.64 0.00 0.00 175.55 177.71 1zrf s ILE 42 N 2.23 4.20 -0.09 3.14 1.01 -0.20 -0.23 121.20 131.27 1zrf s ILE 42 Ca 0.04 1.41 0.05 0.00 0.00 0.00 0.00 60.65 62.15 1zrf s ILE 42 Cb -0.13 -4.05 -0.24 0.00 0.01 0.00 0.00 42.46 38.04 1zrf s ILE 42 CO -0.06 -0.29 0.50 0.52 0.00 0.00 0.00 174.94 175.61 1zrf n VAL 43 N 5.77 1.66 -3.69 2.92 0.31 0.52 -0.44 118.33 125.38 1zrf n VAL 43 Ca 0.14 -0.74 -0.14 0.00 -0.01 0.00 0.00 64.34 63.60 1zrf n VAL 43 Cb 0.46 -1.29 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 1zrf n VAL 43 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1zrf s LYS 44 N -2.58 0.63 0.00 5.55 1.02 -0.72 -4.70 119.74 118.94 1zrf s LYS 44 Ca -0.12 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.45 1zrf s LYS 44 Cb 0.07 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 1zrf s LYS 44 CO 0.80 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 1zrf n GLY 45 N 2.53 -2.77 3.09 -3.33 0.00 -1.26 -0.50 105.19 102.95 1zrf n GLY 45 Ca -0.15 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.81 0.14 0.30 1.61 1.04 -1.26 -2.48 113.70 111.24 1zrf s SER 46 Ca 0.00 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.03 1zrf s SER 46 Cb 0.00 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1zrf s SER 46 CO 0.00 -0.42 0.12 0.68 0.98 0.00 0.00 173.24 174.60 1zrf s VAL 47 N -1.98 0.54 -0.02 5.02 -7.23 -0.37 -1.05 120.40 115.31 1zrf s VAL 47 Ca -0.10 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1zrf s VAL 47 Cb -0.05 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 1zrf s VAL 47 CO -0.02 0.00 -0.21 0.00 -0.31 0.00 0.00 175.10 174.56 1zrf s ALA 48 N -3.59 1.76 -0.20 1.32 0.00 0.60 -1.49 121.76 120.17 1zrf s ALA 48 Ca 0.35 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.35 1zrf s ALA 48 Cb 0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1zrf s ALA 48 CO 0.15 0.42 0.04 0.08 0.00 0.00 0.00 175.76 176.46 1zrf s VAL 49 N -0.43 4.46 0.06 0.00 1.01 0.75 -1.02 120.40 125.22 1zrf s VAL 49 Ca 0.06 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1zrf s VAL 49 Cb -0.09 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1zrf s VAL 49 CO -0.00 0.43 0.11 -1.48 0.00 0.00 0.00 175.10 174.16 1zrf s LEU 50 N 0.76 1.77 0.18 3.92 0.05 -0.14 0.06 118.68 125.28 1zrf s LEU 50 Ca 0.02 -0.65 0.10 0.00 0.05 0.00 0.00 54.13 53.66 1zrf s LEU 50 Cb -0.14 0.70 -0.04 0.00 -2.05 0.00 0.00 46.19 44.66 1zrf s LEU 50 CO 0.02 -0.60 -0.21 0.27 -0.55 0.00 0.00 176.35 175.27 1zrf s ILE 51 N -3.28 2.12 0.08 1.48 -4.36 -0.47 -0.88 121.20 115.88 1zrf s ILE 51 Ca 0.01 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.47 1zrf s ILE 51 Cb 0.03 -1.99 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 1zrf s ILE 51 CO -0.08 -0.20 -0.14 -0.54 0.24 0.00 0.00 174.94 174.22 1zrf s LYS 52 N -2.71 0.85 0.60 0.37 1.02 -1.26 -1.34 119.74 117.26 1zrf s LYS 52 Ca 0.18 -0.99 -0.02 0.00 0.02 0.00 0.00 55.97 55.17 1zrf s LYS 52 Cb -0.07 -0.86 0.12 0.00 -0.52 0.00 0.00 37.83 36.51 1zrf s LYS 52 CO 0.08 0.19 0.83 -0.40 -0.92 0.00 0.00 175.35 175.13 1zrf n ASP 53 N 1.20 0.94 0.27 2.83 3.85 -0.46 -4.92 116.55 120.26 1zrf n ASP 53 Ca -0.21 -1.84 0.13 0.00 -0.71 0.00 0.00 54.79 52.16 1zrf n ASP 53 Cb 0.54 -0.55 0.77 0.00 -1.35 0.00 0.00 41.12 40.53 1zrf n ASP 53 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1zrf h GLU 54 N 0.00 0.00 -0.04 0.11 5.08 -2.02 -1.76 114.58 115.95 1zrf h GLU 54 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1zrf h GLU 54 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1zrf h GLU 54 CO 0.28 0.08 0.00 -1.91 -1.00 0.00 0.00 179.01 176.45 1zrf n GLU 55 N -3.82 1.86 -0.40 2.33 2.13 -1.26 -4.94 120.64 116.54 1zrf n GLU 55 Ca -0.02 -1.26 0.00 0.00 0.66 0.00 0.00 57.16 56.54 1zrf n GLU 55 Cb 0.17 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1zrf n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zrf n GLY 56 N 1.23 0.70 3.77 8.31 0.00 -0.66 -5.05 105.19 113.48 1zrf n GLY 56 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.60 3.83 0.12 1.61 1.02 -1.26 -4.73 119.74 119.73 1zrf s LYS 57 Ca 0.00 1.94 0.09 0.00 0.02 0.00 0.00 55.97 58.02 1zrf s LYS 57 Cb 0.00 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1zrf s LYS 57 CO 0.00 -0.54 -0.19 -1.21 -0.92 0.00 0.00 175.35 172.50 1zrf s GLU 58 N -2.48 1.76 -0.05 1.68 2.02 -1.26 -1.36 118.70 119.00 1zrf s GLU 58 Ca 0.61 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1zrf s GLU 58 Cb -0.33 -2.10 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1zrf s GLU 58 CO 0.41 0.48 -0.03 1.41 0.02 0.00 0.00 175.26 177.55 1zrf s MET 59 N -2.13 0.73 -0.18 1.61 -2.45 -0.45 -4.55 119.30 111.88 1zrf s MET 59 Ca 0.18 -0.03 -0.24 0.00 -1.25 0.00 0.00 55.69 54.35 1zrf s MET 59 Cb -0.11 -0.86 -0.02 0.00 1.25 0.00 0.00 34.83 35.09 1zrf s MET 59 CO 0.10 -0.16 0.76 0.42 1.05 0.00 0.00 175.02 177.19 1zrf s ILE 60 N 1.27 4.93 -0.04 10.11 1.01 0.17 -1.37 121.20 137.27 1zrf s ILE 60 Ca -0.06 1.48 0.13 0.00 0.00 0.00 0.00 60.65 62.20 1zrf s ILE 60 Cb -0.14 -4.07 -0.21 0.00 0.01 0.00 0.00 42.46 38.05 1zrf s ILE 60 CO -0.02 0.05 0.76 -0.07 0.00 0.00 0.00 174.94 175.66 1zrf h LEU 61 N 8.31 0.00 -7.00 2.97 3.38 -0.71 -3.45 115.31 118.80 1zrf h LEU 61 Ca -0.30 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.01 1zrf h LEU 61 Cb 1.13 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.69 1zrf h LEU 61 CO 0.82 0.94 0.98 -0.55 0.09 0.00 0.00 178.44 180.72 1zrf s SER 62 N -6.12 -0.02 -0.07 -0.43 0.15 -1.16 -4.93 113.70 101.12 1zrf s SER 62 Ca -0.04 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1zrf s SER 62 Cb 0.08 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 1zrf s SER 62 CO 0.82 -0.03 -0.13 -0.31 1.20 0.00 0.00 173.24 174.79 1zrf s TYR 63 N -2.05 2.76 0.13 3.44 2.02 -1.26 -0.18 117.35 122.20 1zrf s TYR 63 Ca 0.12 -0.23 0.09 0.00 -0.37 0.00 0.00 57.07 56.68 1zrf s TYR 63 Cb 0.00 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 1zrf s TYR 63 CO -0.03 0.12 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.34 1zrf s LEU 64 N -0.51 2.34 0.00 -1.29 1.43 -0.56 -4.98 118.68 115.11 1zrf s LEU 64 Ca 0.07 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1zrf s LEU 64 Cb -0.12 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1zrf s LEU 64 CO 0.02 0.08 0.10 0.59 0.23 0.00 0.00 176.35 177.37 1zrf n ASN 65 N 0.86 0.68 -4.62 2.29 4.13 -1.26 -1.23 115.26 116.10 1zrf n ASN 65 Ca -0.18 -2.14 -0.46 0.00 1.68 0.00 0.00 54.58 53.48 1zrf n ASN 65 Cb 0.54 0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 39.39 1zrf n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1zrf n GLN 66 N -0.44 1.59 0.00 3.52 10.64 -1.04 -1.21 117.38 130.45 1zrf n GLN 66 Ca -0.01 0.57 0.00 0.00 -1.83 0.00 0.00 57.00 55.73 1zrf n GLN 66 Cb 0.32 -2.12 0.00 0.00 -0.86 0.00 0.00 30.24 27.58 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 1.92 1.11 3.84 2.61 0.00 0.41 -5.01 105.19 110.07 1zrf n GLY 67 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.70 6.80 0.47 1.61 1.01 -0.35 -4.87 116.67 119.66 1zrf s ASP 68 Ca 0.00 0.98 -0.07 0.00 0.71 0.00 0.00 52.55 54.17 1zrf s ASP 68 Cb 0.00 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.63 1zrf s ASP 68 CO 0.00 0.24 0.81 -0.36 0.21 0.00 0.00 175.17 176.06 1zrf s PHE 69 N -1.24 3.55 0.04 4.23 0.40 -1.26 -1.03 117.98 122.66 1zrf s PHE 69 Ca 0.29 0.92 -0.09 0.00 -0.60 0.00 0.00 56.93 57.46 1zrf s PHE 69 Cb -0.16 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 40.99 1zrf s PHE 69 CO 0.16 -0.27 0.18 0.42 0.70 0.00 0.00 175.22 176.41 1zrf s ILE 70 N -2.69 0.11 -1.00 0.64 1.01 -0.21 -4.89 121.20 114.17 1zrf s ILE 70 Ca 0.49 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1zrf s ILE 70 Cb -0.10 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1zrf s ILE 70 CO 0.42 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1zrf n GLY 71 N 0.75 0.14 0.14 6.18 0.00 -1.26 -1.11 105.19 110.03 1zrf n GLY 71 Ca -0.19 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.90 -3.38 114.58 120.00 1zrf h GLU 72 Ca -0.26 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.14 1zrf h GLU 72 Cb 1.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1zrf h GLU 72 CO 0.32 0.19 -0.05 -0.07 0.05 0.00 0.00 179.01 179.46 1zrf h LEU 73 N 0.00 0.00 -0.67 3.06 3.38 -1.98 -2.46 115.31 116.64 1zrf h LEU 73 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1zrf h LEU 73 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1zrf h LEU 73 CO 0.03 0.05 -0.03 0.61 0.09 0.00 0.00 178.44 179.18 1zrf n GLY 74 N -1.08 -0.33 0.15 0.83 0.00 -1.26 -4.29 105.19 99.22 1zrf n GLY 74 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 1.64 0.00 -0.63 0.99 5.85 -1.70 -3.33 115.31 118.13 1zrf h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1zrf h LEU 75 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1zrf h LEU 75 CO 0.00 0.51 -0.29 0.49 -0.34 0.00 0.00 178.44 178.81 1zrf n PHE 76 N -3.45 0.00 -3.82 1.25 3.01 -1.26 -4.89 117.46 108.29 1zrf n PHE 76 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1zrf n PHE 76 Cb 0.63 -0.09 -0.12 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.47 0.20 0.51 -1.08 2.12 -1.25 -5.15 118.70 111.57 1zrf s GLU 77 Ca 0.24 0.16 -0.19 0.00 0.36 0.00 0.00 54.97 55.54 1zrf s GLU 77 Cb 0.19 0.10 -0.07 0.00 0.26 0.00 0.00 34.13 34.60 1zrf s GLU 77 CO 0.52 -0.03 1.02 -1.21 -0.54 0.00 0.00 175.26 175.03 1zrf s GLU 78 N -0.04 3.76 -1.36 4.30 0.41 -1.26 -4.00 118.70 120.50 1zrf s GLU 78 Ca -0.01 1.24 -0.03 0.00 -0.41 0.00 0.00 54.97 55.76 1zrf s GLU 78 Cb -0.02 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 1zrf s GLU 78 CO 0.00 -0.45 0.34 0.41 -0.49 0.00 0.00 175.26 175.07 1zrf n GLY 79 N -0.66 -0.32 3.90 -1.39 0.00 -1.26 -5.01 105.19 100.45 1zrf n GLY 79 Ca 0.08 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -5.28 3.64 0.13 1.61 -0.21 -1.26 -5.03 119.66 113.27 1zrf s GLN 80 Ca 0.17 -0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.58 1zrf s GLN 80 Cb -0.07 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 1zrf s GLN 80 CO 0.21 0.34 -0.02 -1.21 -2.12 0.00 0.00 175.29 172.48 1zrf s GLU 81 N -3.12 2.40 0.10 2.91 2.02 -1.26 -2.05 118.70 119.71 1zrf s GLU 81 Ca 0.43 -0.99 -0.33 0.00 0.02 0.00 0.00 54.97 54.09 1zrf s GLU 81 Cb -0.11 -2.42 -0.13 0.00 0.10 0.00 0.00 34.13 31.57 1zrf s GLU 81 CO 0.27 0.50 1.69 0.54 0.02 0.00 0.00 175.26 178.27 1zrf n ARG 82 N 0.29 2.28 0.00 1.61 5.12 0.17 -4.84 116.66 121.28 1zrf n ARG 82 Ca -0.11 0.83 0.13 0.00 -1.93 0.00 0.00 57.85 56.77 1zrf n ARG 82 Cb 0.53 -2.63 0.57 0.00 -1.16 0.00 0.00 32.46 29.77 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 4.44 0.03 -3.64 0.55 3.41 -1.26 -1.74 113.62 115.41 1zrf n SER 83 Ca 0.18 0.50 -0.03 0.00 -0.26 0.00 0.00 58.87 59.27 1zrf n SER 83 Cb 0.30 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -3.00 -1.68 0.23 7.33 0.00 -1.26 -4.94 121.76 118.44 1zrf s ALA 84 Ca 0.13 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 1zrf s ALA 84 Cb 0.17 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.87 1zrf s ALA 84 CO 0.49 -1.05 0.54 -1.58 0.00 0.00 0.00 175.76 174.17 1zrf s TRP 85 N -2.94 3.43 -0.11 0.00 0.52 -0.06 -3.55 118.94 116.23 1zrf s TRP 85 Ca 0.15 0.83 -0.01 0.00 0.02 0.00 0.00 56.10 57.10 1zrf s TRP 85 Cb -0.01 -2.23 0.03 0.00 -1.15 0.00 0.00 33.47 30.10 1zrf s TRP 85 CO 0.03 0.26 -0.06 0.08 0.02 0.00 0.00 176.95 177.28 1zrf s VAL 86 N -1.84 0.94 -0.05 4.03 1.01 -0.45 -0.97 120.40 123.06 1zrf s VAL 86 Ca 0.47 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1zrf s VAL 86 Cb -0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1zrf s VAL 86 CO 0.22 0.32 -0.19 -0.60 0.00 0.00 0.00 175.10 174.85 1zrf s ARG 87 N 1.74 2.51 0.25 2.72 3.52 -0.19 -0.77 118.95 128.72 1zrf s ARG 87 Ca 0.04 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1zrf s ARG 87 Cb -0.13 -2.28 -0.09 0.00 -1.56 0.00 0.00 34.95 30.89 1zrf s ARG 87 CO -0.08 0.52 1.23 0.00 -0.81 0.00 0.00 175.30 176.16 1zrf s ALA 88 N -0.47 3.47 -0.23 6.12 0.00 -0.32 -0.29 121.76 130.04 1zrf s ALA 88 Ca 0.06 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 1zrf s ALA 88 Cb -0.12 -3.43 -0.18 0.00 0.00 0.00 0.00 23.12 19.40 1zrf s ALA 88 CO 0.01 -0.43 -0.04 1.63 0.00 0.00 0.00 175.76 176.93 1zrf n LYS 89 N 1.82 0.63 -4.45 0.00 5.02 -0.22 -0.50 118.16 120.47 1zrf n LYS 89 Ca 0.03 0.32 -0.30 0.00 -2.02 0.00 0.00 58.31 56.34 1zrf n LYS 89 Cb 0.43 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1zrf n LYS 89 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1zrf s THR 90 N -2.48 1.45 0.23 -0.18 -4.23 -1.12 -4.42 115.64 104.89 1zrf s THR 90 Ca -0.32 -1.83 -0.30 0.00 -1.18 0.00 0.00 61.69 58.06 1zrf s THR 90 Cb 0.10 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.57 1zrf s THR 90 CO 0.59 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.94 1zrf s ALA 91 N -2.81 3.49 0.14 3.99 0.00 -1.26 -3.90 121.76 121.41 1zrf s ALA 91 Ca 0.19 1.09 0.11 0.00 0.00 0.00 0.00 51.96 53.34 1zrf s ALA 91 Cb 0.01 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1zrf s ALA 91 CO 0.11 -0.49 -0.25 0.00 0.00 0.00 0.00 175.76 175.13 1zrf s GLU 93 N -2.23 2.85 -0.03 0.00 2.12 0.35 -1.49 118.70 120.28 1zrf s GLU 93 Ca 0.15 -0.93 0.04 0.00 0.36 0.00 0.00 54.97 54.58 1zrf s GLU 93 Cb -0.09 -2.71 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 1zrf s GLU 93 CO 0.07 -0.30 -0.14 0.08 -0.54 0.00 0.00 175.26 174.43 1zrf s VAL 94 N 1.27 1.15 0.00 3.70 1.01 -0.05 -0.35 120.40 127.13 1zrf s VAL 94 Ca 0.02 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 1zrf s VAL 94 Cb -0.15 -0.99 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 1zrf s VAL 94 CO -0.10 0.34 0.55 0.00 0.00 0.00 0.00 175.10 175.89 1zrf s ALA 95 N 0.01 3.54 -0.02 5.51 0.00 0.68 -0.68 121.76 130.80 1zrf s ALA 95 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1zrf s ALA 95 Cb -0.09 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 1zrf s ALA 95 CO 0.01 0.25 -0.13 -1.21 0.00 0.00 0.00 175.76 174.68 1zrf s GLU 96 N -0.46 1.13 -0.04 0.00 2.02 0.76 -0.43 118.70 121.69 1zrf s GLU 96 Ca 0.29 -0.45 -0.12 0.00 0.02 0.00 0.00 54.97 54.71 1zrf s GLU 96 Cb -0.18 -1.07 0.02 0.00 0.10 0.00 0.00 34.13 33.00 1zrf s GLU 96 CO 0.16 0.24 0.27 -1.50 0.02 0.00 0.00 175.26 174.45 1zrf s ILE 97 N -0.16 0.04 0.54 -1.63 2.07 -0.08 -0.96 121.20 121.03 1zrf s ILE 97 Ca 0.02 -0.36 -0.19 0.00 -1.41 0.00 0.00 60.65 58.71 1zrf s ILE 97 Cb -0.07 -0.51 -0.06 0.00 0.13 0.00 0.00 42.46 41.96 1zrf s ILE 97 CO 0.00 -0.20 1.09 -0.94 -1.91 0.00 0.00 174.94 172.98 1zrf s SER 98 N -0.84 5.87 0.21 4.50 1.04 -1.26 0.33 113.70 123.55 1zrf s SER 98 Ca -0.09 2.05 -0.09 0.00 0.48 0.00 0.00 55.95 58.29 1zrf s SER 98 Cb -0.05 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.71 1zrf s SER 98 CO 0.02 -1.11 1.85 1.88 0.98 0.00 0.00 173.24 176.87 1zrf h TYR 99 N 1.14 0.87 -0.18 5.02 0.05 -1.49 -1.05 116.97 121.33 1zrf h TYR 99 Ca -0.49 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.36 1zrf h TYR 99 Cb 1.24 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.63 1zrf h TYR 99 CO 0.54 0.50 -0.29 -0.22 -1.05 0.00 0.00 178.16 177.64 1zrf h LYS 100 N 0.91 -0.33 -0.17 4.88 3.64 -1.92 -0.70 116.57 122.88 1zrf h LYS 100 Ca 0.29 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 1zrf h LYS 100 Cb 0.01 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1zrf h LYS 100 CO -0.11 -0.22 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.30 1zrf h LYS 101 N -0.34 0.35 -0.67 1.90 1.63 -1.87 -2.95 116.57 114.63 1zrf h LYS 101 Ca 0.11 -0.15 -0.05 0.00 -0.85 0.00 0.00 60.65 59.72 1zrf h LYS 101 Cb 0.51 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 1zrf h LYS 101 CO -0.37 0.65 0.24 0.35 -3.45 0.00 0.00 179.45 176.87 1zrf h PHE 102 N 0.30 1.06 -0.71 1.91 3.57 -0.55 -2.08 116.94 120.44 1zrf h PHE 102 Ca 0.04 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1zrf h PHE 102 Cb 0.75 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1zrf h PHE 102 CO 0.02 0.84 0.47 0.00 -2.23 0.00 0.00 178.31 177.40 1zrf h ARG 103 N 0.97 0.91 -0.50 1.11 3.08 -0.98 -1.01 114.38 117.95 1zrf h ARG 103 Ca 0.22 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 1zrf h ARG 103 Cb 0.26 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1zrf h ARG 103 CO -0.01 0.60 0.04 1.96 -1.07 0.00 0.00 179.97 181.49 1zrf h GLN 104 N 0.93 0.81 -0.16 0.04 4.20 -1.27 -2.64 115.11 117.03 1zrf h GLN 104 Ca 0.26 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 1zrf h GLN 104 Cb -0.07 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1zrf h GLN 104 CO -0.06 0.79 -0.50 -0.07 -0.67 0.00 0.00 178.83 178.31 1zrf h LEU 105 N 0.76 0.49 -1.18 1.46 3.38 -0.59 -3.02 115.31 116.61 1zrf h LEU 105 Ca 0.15 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1zrf h LEU 105 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1zrf h LEU 105 CO 0.01 0.91 0.57 0.40 0.09 0.00 0.00 178.44 180.42 1zrf h ILE 106 N 0.35 1.09 0.23 1.22 2.04 -0.87 -2.15 117.51 119.42 1zrf h ILE 106 Ca 0.01 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1zrf h ILE 106 Cb 1.01 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1zrf h ILE 106 CO 0.09 0.19 -0.11 1.56 0.00 0.00 0.00 178.15 179.87 1zrf h GLN 107 N 1.02 -0.31 0.00 2.37 4.20 -1.38 -1.08 115.11 119.94 1zrf h GLN 107 Ca 0.36 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 59.03 1zrf h GLN 107 Cb 0.14 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1zrf h GLN 107 CO -0.13 -0.20 -0.32 -0.39 -0.67 0.00 0.00 178.83 177.12 1zrf h VAL 108 N -0.32 0.85 -1.53 -0.54 -1.51 -1.55 -3.39 116.25 108.26 1zrf h VAL 108 Ca -0.03 -1.31 -0.24 0.00 -1.23 0.00 0.00 66.70 63.90 1zrf h VAL 108 Cb 0.24 1.80 -0.26 0.00 -2.13 0.00 0.00 31.29 30.94 1zrf h VAL 108 CO 0.05 0.32 -0.59 0.21 -1.23 0.00 0.00 177.57 176.33 1zrf s ASN 109 N -6.43 -0.03 0.00 4.19 2.47 -0.83 -5.01 114.94 109.31 1zrf s ASN 109 Ca -0.01 -1.26 0.10 0.00 0.42 0.00 0.00 52.86 52.11 1zrf s ASN 109 Cb 0.12 1.17 0.56 0.00 -1.45 0.00 0.00 41.25 41.65 1zrf s ASN 109 CO 0.67 -0.22 1.14 -0.81 -3.72 0.00 0.00 177.10 174.17 1zrf n PRO 110 N 4.28 0.22 0.15 0.43 -0.04 -0.42 -2.36 135.00 137.27 1zrf n PRO 110 Ca 0.11 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1zrf n PRO 110 Cb 0.50 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.97 1zrf n PRO 110 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zrf h ASP 111 N 0.00 0.00 0.22 3.54 3.58 -1.94 -2.13 116.42 119.69 1zrf h ASP 111 Ca 0.00 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 1zrf h ASP 111 Cb 0.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1zrf h ASP 111 CO 0.00 0.00 -0.63 -0.29 -2.88 0.00 0.00 179.24 175.44 1zrf h ILE 112 N 0.00 1.36 -0.22 2.25 6.09 -1.82 -2.83 117.51 122.35 1zrf h ILE 112 Ca 0.00 -1.98 -0.14 0.00 -1.37 0.00 0.00 64.86 61.37 1zrf h ILE 112 Cb 0.43 1.97 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 1zrf h ILE 112 CO 0.00 0.60 -0.44 0.25 -3.07 0.00 0.00 178.15 175.49 1zrf h LEU 113 N 0.29 0.57 -0.39 2.19 6.46 -1.61 -2.92 115.31 119.89 1zrf h LEU 113 Ca -0.01 -0.26 0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1zrf h LEU 113 Cb 1.18 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 1zrf h LEU 113 CO 0.11 0.93 0.21 -0.03 -0.62 0.00 0.00 178.44 179.03 1zrf h MET 114 N 0.43 0.41 -0.37 1.25 4.05 -1.31 0.25 114.93 119.65 1zrf h MET 114 Ca 0.03 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1zrf h MET 114 Cb 0.94 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 1zrf h MET 114 CO 0.08 0.27 -0.07 0.00 0.23 0.00 0.00 176.91 177.42 1zrf h ARG 115 N 0.42 0.61 -0.20 0.39 3.08 -1.47 -0.84 114.38 116.37 1zrf h ARG 115 Ca 0.16 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1zrf h ARG 115 Cb 0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1zrf h ARG 115 CO -0.10 0.68 -0.12 1.25 -1.07 0.00 0.00 179.97 180.61 1zrf h LEU 116 N 0.57 0.46 -1.00 3.04 5.85 -1.18 -2.92 115.31 120.13 1zrf h LEU 116 Ca 0.11 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1zrf h LEU 116 Cb 0.47 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1zrf h LEU 116 CO 0.02 0.79 0.53 0.28 -0.34 0.00 0.00 178.44 179.72 1zrf h SER 117 N 0.13 1.08 -0.76 1.25 0.02 -0.32 -1.99 113.55 112.96 1zrf h SER 117 Ca 0.04 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1zrf h SER 117 Cb 0.63 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1zrf h SER 117 CO 0.03 0.84 0.50 0.00 -1.14 0.00 0.00 176.83 177.07 1zrf h ALA 118 N 1.34 1.52 -0.11 3.77 0.00 -1.06 -0.59 119.26 124.14 1zrf h ALA 118 Ca 0.32 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1zrf h ALA 118 Cb -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1zrf h ALA 118 CO -0.06 0.41 -0.74 1.96 0.00 0.00 0.00 179.25 180.82 1zrf h GLN 119 N 0.96 0.54 -0.37 0.00 4.20 -1.19 -2.66 115.11 116.59 1zrf h GLN 119 Ca 0.29 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1zrf h GLN 119 Cb -0.00 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1zrf h GLN 119 CO -0.08 1.07 -0.13 0.52 -0.67 0.00 0.00 178.83 179.54 1zrf h MET 120 N 0.37 0.65 -0.22 1.46 2.86 -0.93 -0.76 114.93 118.36 1zrf h MET 120 Ca -0.04 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1zrf h MET 120 Cb 1.34 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1zrf h MET 120 CO 0.14 0.76 0.13 0.00 1.06 0.00 0.00 176.91 178.99 1zrf h ALA 121 N 1.27 0.29 -0.75 6.32 0.00 -1.04 -1.41 119.26 123.94 1zrf h ALA 121 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1zrf h ALA 121 Cb 0.57 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1zrf h ALA 121 CO 0.04 -0.19 0.26 -0.09 0.00 0.00 0.00 179.25 179.27 1zrf h ARG 122 N 0.26 1.14 -0.15 0.00 9.65 -1.18 -2.37 114.38 121.73 1zrf h ARG 122 Ca 0.08 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 1zrf h ARG 122 Cb 0.05 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 1zrf h ARG 122 CO -0.01 0.95 -0.22 0.00 2.80 0.00 0.00 179.97 183.50 1zrf h ARG 123 N 1.11 0.25 -0.29 0.20 3.08 -0.89 -1.49 114.38 116.35 1zrf h ARG 123 Ca 0.25 -0.08 -0.19 0.00 0.07 0.00 0.00 59.98 60.03 1zrf h ARG 123 Cb 0.27 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1zrf h ARG 123 CO -0.01 0.47 -0.54 1.25 -1.07 0.00 0.00 179.97 180.06 1zrf h LEU 124 N 0.23 0.98 -0.17 3.04 5.85 -0.90 -0.28 115.31 124.06 1zrf h LEU 124 Ca 0.04 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1zrf h LEU 124 Cb 0.52 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1zrf h LEU 124 CO 0.03 1.33 0.10 1.56 -0.34 0.00 0.00 178.44 181.12 1zrf h GLN 125 N 0.67 0.23 -0.29 1.25 4.20 -1.16 -0.77 115.11 119.24 1zrf h GLN 125 Ca 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1zrf h GLN 125 Cb 1.16 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1zrf h GLN 125 CO 0.12 0.21 0.14 0.28 -0.67 0.00 0.00 178.83 178.92 1zrf h VAL 126 N 0.18 1.15 -0.10 -0.54 2.07 -1.22 -1.96 116.25 115.83 1zrf h VAL 126 Ca 0.06 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1zrf h VAL 126 Cb 0.05 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1zrf h VAL 126 CO -0.01 0.15 -0.36 0.74 0.02 0.00 0.00 177.57 178.11 1zrf h THR 127 N 0.34 1.28 -0.43 2.57 2.02 -0.96 -1.58 112.91 116.15 1zrf h THR 127 Ca 0.10 -1.37 -0.12 0.00 0.77 0.00 0.00 66.41 65.79 1zrf h THR 127 Cb 0.11 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1zrf h THR 127 CO -0.01 0.41 -0.21 0.28 0.37 0.00 0.00 175.52 176.36 1zrf h SER 128 N 0.18 0.86 -0.58 4.18 0.02 -0.96 -1.82 113.55 115.44 1zrf h SER 128 Ca 0.02 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 1zrf h SER 128 Cb 0.72 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1zrf h SER 128 CO 0.05 1.05 0.15 -0.08 -1.14 0.00 0.00 176.83 176.86 1zrf h GLU 129 N 0.74 0.96 -0.75 3.45 4.81 -0.94 -2.11 114.58 120.74 1zrf h GLU 129 Ca 0.10 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1zrf h GLU 129 Cb 0.74 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1zrf h GLU 129 CO 0.06 0.86 0.28 -0.22 -0.73 0.00 0.00 179.01 179.26 1zrf h LYS 130 N 0.92 1.13 -0.37 1.92 3.64 -0.83 -1.37 116.57 121.61 1zrf h LYS 130 Ca 0.20 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1zrf h LYS 130 Cb 0.33 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1zrf h LYS 130 CO -0.00 0.93 0.23 0.28 -2.27 0.00 0.00 179.45 178.62 1zrf h VAL 131 N 1.10 1.11 -0.59 2.00 2.07 -0.87 -1.49 116.25 119.57 1zrf h VAL 131 Ca 0.25 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1zrf h VAL 131 Cb 0.23 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1zrf h VAL 131 CO -0.02 0.10 0.35 1.23 0.02 0.00 0.00 177.57 179.26 1zrf h GLY 132 N 0.49 0.84 1.03 2.17 0.00 -1.00 -1.49 103.07 105.11 1zrf h GLY 132 Ca 0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1zrf h GLY 132 CO -0.03 0.21 0.38 3.43 0.00 0.00 0.00 176.54 180.53 1zrf h ASN 133 N 0.69 1.07 0.13 0.19 2.35 -0.93 0.17 115.58 119.25 1zrf h ASN 133 Ca 0.24 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1zrf h ASN 133 Cb 0.05 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1zrf h ASN 133 CO -0.11 0.91 -0.39 -0.07 -1.65 0.00 0.00 177.43 176.12 1zrf h LEU 134 N 1.15 0.36 0.09 1.61 3.38 -0.93 -1.65 115.31 119.32 1zrf h LEU 134 Ca 0.28 -0.15 -0.30 0.00 0.09 0.00 0.00 57.88 57.80 1zrf h LEU 134 Cb 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1zrf h LEU 134 CO -0.03 0.72 -1.53 0.00 0.09 0.00 0.00 178.44 177.68 1zrf h ALA 135 N 1.30 0.37 0.00 1.53 0.00 -1.01 -3.41 119.26 118.04 1zrf h ALA 135 Ca 0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 54.91 53.77 1zrf h ALA 135 Cb 0.82 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1zrf h ALA 135 CO 0.07 1.23 -2.00 1.19 0.00 0.00 0.00 179.25 179.74 1zrf n PHE 136 N -3.38 0.00 -4.42 0.00 3.72 0.58 -5.00 117.46 108.96 1zrf n PHE 136 Ca -0.16 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.92 1zrf n PHE 136 Cb 1.03 -0.50 -0.10 0.00 -0.94 0.00 0.00 39.48 38.97 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 -4.52 3.17 0.85 4.37 1.43 -0.62 -5.05 118.68 118.31 1zrf s LEU 137 Ca -0.08 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 1zrf s LEU 137 Cb 0.14 -1.84 0.10 0.00 0.03 0.00 0.00 46.19 44.62 1zrf s LEU 137 CO 0.90 0.27 1.15 1.51 0.23 0.00 0.00 176.35 180.41 1zrf s ASP 138 N -1.53 4.08 0.34 2.29 1.47 -1.26 -4.78 116.67 117.28 1zrf s ASP 138 Ca 0.18 0.90 0.05 0.00 1.18 0.00 0.00 52.55 54.86 1zrf s ASP 138 Cb -0.11 -1.45 0.70 0.00 -0.34 0.00 0.00 42.92 41.72 1zrf s ASP 138 CO 0.09 -2.18 1.90 0.58 0.68 0.00 0.00 175.17 176.24 1zrf h VAL 139 N -1.25 0.96 -0.70 2.11 2.07 -1.96 -1.59 116.25 115.88 1zrf h VAL 139 Ca -0.48 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1zrf h VAL 139 Cb 1.33 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1zrf h VAL 139 CO 0.64 0.15 0.36 0.74 0.02 0.00 0.00 177.57 179.48 1zrf h THR 140 N 0.82 1.22 -0.24 2.57 2.02 -1.99 -0.07 112.91 117.24 1zrf h THR 140 Ca 0.40 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 1zrf h THR 140 Cb 0.43 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1zrf h THR 140 CO -0.16 0.26 -0.37 1.23 0.37 0.00 0.00 175.52 176.85 1zrf h GLY 141 N 0.97 0.59 1.09 2.16 0.00 -1.68 -1.68 103.07 104.53 1zrf h GLY 141 Ca 0.24 -0.56 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 1zrf h GLY 141 CO -0.04 0.51 -0.40 3.21 0.00 0.00 0.00 176.54 179.83 1zrf h ARG 142 N 0.46 0.87 -0.69 4.80 3.08 -0.97 -2.53 114.38 119.40 1zrf h ARG 142 Ca 0.05 -0.48 -0.07 0.00 0.07 0.00 0.00 59.98 59.54 1zrf h ARG 142 Cb 0.85 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1zrf h ARG 142 CO 0.07 1.12 0.15 0.82 -1.07 0.00 0.00 179.97 181.06 1zrf h ILE 143 N 0.66 1.26 -0.33 2.04 2.04 -0.90 -2.08 117.51 120.20 1zrf h ILE 143 Ca 0.05 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1zrf h ILE 143 Cb 0.99 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1zrf h ILE 143 CO 0.10 0.38 0.12 0.00 0.00 0.00 0.00 178.15 178.75 1zrf h ALA 144 N 1.07 0.43 -0.54 1.87 0.00 -1.27 -0.82 119.26 120.00 1zrf h ALA 144 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1zrf h ALA 144 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1zrf h ALA 144 CO 0.01 0.04 0.11 0.37 0.00 0.00 0.00 179.25 179.78 1zrf h GLN 145 N 0.38 0.83 -0.29 0.00 4.15 -1.37 -1.93 115.11 116.88 1zrf h GLN 145 Ca 0.11 -0.18 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 1zrf h GLN 145 Cb 0.20 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1zrf h GLN 145 CO -0.01 0.76 -0.15 1.15 -1.93 0.00 0.00 178.83 178.66 1zrf h THR 146 N 0.80 1.30 -0.70 2.39 2.02 -1.10 -1.08 112.91 116.52 1zrf h THR 146 Ca 0.17 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1zrf h THR 146 Cb 0.32 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1zrf h THR 146 CO 0.00 0.40 0.43 -0.07 0.37 0.00 0.00 175.52 176.65 1zrf h LEU 147 N 0.36 0.85 -0.48 2.58 3.38 -1.00 -0.99 115.31 120.00 1zrf h LEU 147 Ca 0.06 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zrf h LEU 147 Cb 0.67 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1zrf h LEU 147 CO 0.04 0.66 -0.09 0.25 0.09 0.00 0.00 178.44 179.40 1zrf h LEU 148 N 0.96 0.91 -0.53 1.67 5.85 -1.27 -1.76 115.31 121.14 1zrf h LEU 148 Ca 0.25 -0.35 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 1zrf h LEU 148 Cb -0.03 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1zrf h LEU 148 CO -0.05 1.05 -0.17 0.78 -0.34 0.00 0.00 178.44 179.71 1zrf h ASN 149 N 0.76 1.02 -0.36 1.25 2.35 -0.99 -2.87 115.58 116.75 1zrf h ASN 149 Ca 0.13 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.45 1zrf h ASN 149 Cb 0.63 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1zrf h ASN 149 CO 0.04 1.17 0.04 -0.07 -1.65 0.00 0.00 177.43 176.96 1zrf h LEU 150 N 0.88 0.66 -0.56 1.61 3.38 -1.11 -2.64 115.31 117.53 1zrf h LEU 150 Ca 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1zrf h LEU 150 Cb 0.75 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1zrf h LEU 150 CO 0.06 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1zrf n ALA 151 N -2.47 1.72 -0.59 1.53 0.00 -0.67 -2.72 120.51 117.30 1zrf n ALA 151 Ca 0.03 0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.60 1zrf n ALA 151 Cb 0.25 -1.38 0.21 0.00 0.00 0.00 0.00 19.45 18.53 1zrf n ALA 151 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1zrf n LYS 152 N -2.15 2.92 -2.77 0.00 2.85 -1.00 -4.82 118.16 113.20 1zrf n LYS 152 Ca 0.03 -2.46 -0.30 0.00 -1.05 0.00 0.00 58.31 54.52 1zrf n LYS 152 Cb 0.24 -1.57 -0.03 0.00 -0.65 0.00 0.00 35.03 33.02 1zrf n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1zrf s GLN 153 N -1.94 3.78 0.44 -1.58 -1.52 -1.10 -4.97 119.66 112.77 1zrf s GLN 153 Ca 0.33 0.52 0.18 0.00 -1.95 0.00 0.00 55.36 54.44 1zrf s GLN 153 Cb 0.23 -2.35 1.12 0.00 -0.22 0.00 0.00 33.01 31.79 1zrf s GLN 153 CO 0.12 -0.09 1.90 -1.00 -0.25 0.00 0.00 175.29 175.97 1zrf h PRO 154 N 1.12 0.34 -0.49 2.91 0.13 -1.94 -0.98 132.00 133.10 1zrf h PRO 154 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1zrf h PRO 154 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1zrf h PRO 154 CO 0.63 0.23 0.00 -0.40 -0.23 0.00 0.00 178.00 178.23 1zrf n ASP 155 N -4.47 1.06 -4.81 1.44 5.68 -1.26 -4.85 116.55 109.34 1zrf n ASP 155 Ca 0.16 -2.06 -0.35 0.00 -0.50 0.00 0.00 54.79 52.04 1zrf n ASP 155 Cb 0.63 -0.28 -0.06 0.00 -1.14 0.00 0.00 41.12 40.27 1zrf n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zrf s ALA 156 N -1.58 3.29 0.07 2.12 0.00 -0.38 -5.02 121.76 120.26 1zrf s ALA 156 Ca 0.07 0.27 -0.07 0.00 0.00 0.00 0.00 51.96 52.23 1zrf s ALA 156 Cb 0.05 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 1zrf s ALA 156 CO 0.04 0.26 0.35 -1.64 0.00 0.00 0.00 175.76 174.76 1zrf s MET 157 N -2.35 3.66 0.40 0.00 -1.94 -0.45 -4.92 119.30 113.69 1zrf s MET 157 Ca 0.50 0.02 -0.24 0.00 -1.71 0.00 0.00 55.69 54.26 1zrf s MET 157 Cb -0.15 -3.00 -0.09 0.00 2.01 0.00 0.00 34.83 33.60 1zrf s MET 157 CO 0.20 0.57 1.04 0.95 -0.01 0.00 0.00 175.02 177.77 1zrf s THR 158 N -1.42 3.78 -0.11 2.05 -4.23 -1.26 -0.25 115.64 114.20 1zrf s THR 158 Ca 0.33 1.34 -0.14 0.00 -1.18 0.00 0.00 61.69 62.04 1zrf s THR 158 Cb -0.13 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.06 1zrf s THR 158 CO 0.19 -0.01 0.38 -2.28 -0.54 0.00 0.00 174.62 172.36 1zrf s HIS 159 N -1.69 -0.37 0.61 3.99 5.04 -0.94 -4.71 115.29 117.22 1zrf s HIS 159 Ca 0.58 0.86 0.32 0.00 -1.54 0.00 0.00 55.06 55.27 1zrf s HIS 159 Cb -0.21 0.14 1.78 0.00 0.04 0.00 0.00 32.58 34.33 1zrf s HIS 159 CO 0.26 -0.26 2.11 -1.00 -2.34 0.00 0.00 174.74 173.52 1zrf h PRO 160 N 5.05 0.00 -0.03 2.88 0.13 -1.99 -1.39 132.00 136.66 1zrf h PRO 160 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1zrf h PRO 160 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1zrf h PRO 160 CO 0.30 0.00 -0.06 -0.25 -0.23 0.00 0.00 178.00 177.76 1zrf n ASP 161 N -3.53 2.81 0.00 1.44 8.00 -1.26 -5.04 116.55 118.96 1zrf n ASP 161 Ca 0.00 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.59 1zrf n ASP 161 Cb 0.30 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1zrf n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zrf n GLY 162 N 1.35 -0.20 3.25 0.44 0.00 -0.52 -1.18 105.19 108.33 1zrf n GLY 162 Ca 0.14 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1zrf n GLY 162 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1zrf s MET 163 N 0.00 1.05 -0.04 1.61 1.75 -1.00 -2.21 119.30 120.47 1zrf s MET 163 Ca 0.00 -1.23 0.06 0.00 -1.25 0.00 0.00 55.69 53.27 1zrf s MET 163 Cb 0.00 -1.00 -0.01 0.00 2.84 0.00 0.00 34.83 36.66 1zrf s MET 163 CO 0.00 0.20 -0.21 -1.14 -0.65 0.00 0.00 175.02 173.23 1zrf s GLN 164 N -2.53 1.92 0.19 4.11 0.74 0.66 -0.65 119.66 124.09 1zrf s GLN 164 Ca 0.09 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 54.79 1zrf s GLN 164 Cb -0.06 -1.73 -0.05 0.00 1.10 0.00 0.00 33.01 32.27 1zrf s GLN 164 CO 0.04 0.36 -0.02 0.96 -0.55 0.00 0.00 175.29 176.08 1zrf s ILE 165 N -0.23 0.88 -0.09 -2.34 -4.36 0.04 -1.35 121.20 113.76 1zrf s ILE 165 Ca 0.01 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1zrf s ILE 165 Cb -0.11 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1zrf s ILE 165 CO 0.01 -0.47 -0.08 -0.54 0.24 0.00 0.00 174.94 174.10 1zrf s LYS 166 N -3.87 1.40 -0.14 0.37 1.02 -1.26 -0.45 119.74 116.81 1zrf s LYS 166 Ca 0.24 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 1zrf s LYS 166 Cb 0.05 -1.39 0.12 0.00 -0.52 0.00 0.00 37.83 36.09 1zrf s LYS 166 CO 0.05 -0.17 0.96 -1.50 -0.92 0.00 0.00 175.35 173.76 1zrf s ILE 167 N 1.37 0.00 0.49 2.17 2.07 -0.33 -5.02 121.20 121.96 1zrf s ILE 167 Ca -0.02 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.18 1zrf s ILE 167 Cb -0.14 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.43 1zrf s ILE 167 CO -0.04 0.00 0.78 0.42 -1.91 0.00 0.00 174.94 174.19 1zrf s THR 168 N -1.28 4.53 0.32 4.00 -4.23 -1.26 -4.61 115.64 113.11 1zrf s THR 168 Ca -0.02 0.02 0.09 0.00 -1.18 0.00 0.00 61.69 60.60 1zrf s THR 168 Cb -0.00 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 70.17 1zrf s THR 168 CO 0.02 -0.68 1.75 0.03 -0.54 0.00 0.00 174.62 175.20 1zrf h ARG 169 N 0.19 0.17 -0.50 3.99 3.08 -1.93 -2.30 114.38 117.08 1zrf h ARG 169 Ca -0.47 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.45 1zrf h ARG 169 Cb 1.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.25 1zrf h ARG 169 CO 0.61 0.52 0.06 1.96 -1.07 0.00 0.00 179.97 182.06 1zrf h GLN 170 N 0.14 0.84 -0.34 0.04 4.20 -1.93 -1.50 115.11 116.56 1zrf h GLN 170 Ca 0.02 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.34 1zrf h GLN 170 Cb 0.73 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1zrf h GLN 170 CO 0.06 0.84 -0.37 1.49 -0.67 0.00 0.00 178.83 180.17 1zrf h GLU 171 N 0.71 0.80 -0.90 1.46 4.81 -1.89 -1.71 114.58 117.86 1zrf h GLU 171 Ca 0.15 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1zrf h GLU 171 Cb 0.42 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1zrf h GLU 171 CO 0.01 1.04 0.58 0.82 -0.73 0.00 0.00 179.01 180.73 1zrf h ILE 172 N 0.66 1.24 -0.47 2.32 2.04 -1.34 -1.03 117.51 120.92 1zrf h ILE 172 Ca 0.06 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1zrf h ILE 172 Cb 0.93 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1zrf h ILE 172 CO 0.09 0.24 0.31 1.23 0.00 0.00 0.00 178.15 180.02 1zrf h GLY 173 N 1.23 0.66 2.00 5.37 0.00 -0.80 -0.19 103.07 111.34 1zrf h GLY 173 Ca 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1zrf h GLY 173 CO -0.07 0.24 -0.17 1.46 0.00 0.00 0.00 176.54 178.00 1zrf h GLN 174 N 0.64 0.00 0.11 4.80 4.20 -0.33 -0.75 115.11 123.77 1zrf h GLN 174 Ca 0.17 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.68 1zrf h GLN 174 Cb -0.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.71 1zrf h GLN 174 CO -0.04 0.17 -0.97 0.82 -0.67 0.00 0.00 178.83 178.15 1zrf h ILE 175 N 0.00 1.34 0.00 2.54 2.04 -0.14 0.50 117.51 123.79 1zrf h ILE 175 Ca -0.00 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1zrf h ILE 175 Cb 0.93 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 40.00 1zrf h ILE 175 CO 0.02 0.68 -0.66 1.33 0.00 0.00 0.00 178.15 179.52 1zrf n VAL 176 N -4.12 0.05 -1.62 1.67 0.24 -0.20 -4.73 118.33 109.62 1zrf n VAL 176 Ca -0.18 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1zrf n VAL 176 Cb 0.81 0.34 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 1.47 0.67 3.59 7.63 0.00 -0.33 -5.00 105.19 113.22 1zrf n GLY 177 Ca 0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.99 5.50 0.37 0.00 1.04 -1.26 -4.55 113.70 111.81 1zrf s SER 179 Ca 0.20 1.78 0.04 0.00 0.48 0.00 0.00 55.95 58.46 1zrf s SER 179 Cb -0.01 -2.52 0.72 0.00 0.10 0.00 0.00 66.02 64.30 1zrf s SER 179 CO 0.07 -1.36 2.01 0.08 0.98 0.00 0.00 173.24 175.02 1zrf h ARG 180 N -0.03 0.67 -0.64 4.02 0.11 -1.90 -2.21 114.38 114.39 1zrf h ARG 180 Ca -0.46 -0.06 -0.06 0.00 0.10 0.00 0.00 59.98 59.50 1zrf h ARG 180 Cb 1.22 -0.14 -0.03 0.00 1.11 0.00 0.00 29.97 32.13 1zrf h ARG 180 CO 0.56 0.48 0.15 0.93 0.10 0.00 0.00 179.97 182.19 1zrf h GLU 181 N 0.68 1.02 -0.49 0.08 3.07 -1.93 -1.31 114.58 115.70 1zrf h GLU 181 Ca 0.18 -0.23 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 1zrf h GLU 181 Cb -0.01 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.74 1zrf h GLU 181 CO -0.03 0.91 -0.13 1.15 -1.40 0.00 0.00 179.01 179.50 1zrf h THR 182 N 0.97 1.27 -0.54 1.13 2.02 -1.79 -1.56 112.91 114.40 1zrf h THR 182 Ca 0.20 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1zrf h THR 182 Cb 0.35 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1zrf h THR 182 CO 0.00 0.44 0.34 0.58 0.37 0.00 0.00 175.52 177.25 1zrf h VAL 183 N 0.81 1.16 -0.79 3.16 2.07 -1.12 -0.60 116.25 120.93 1zrf h VAL 183 Ca 0.12 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1zrf h VAL 183 Cb 0.69 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1zrf h VAL 183 CO 0.05 0.16 0.49 1.23 0.02 0.00 0.00 177.57 179.51 1zrf h GLY 184 N 0.73 1.17 1.24 2.17 0.00 -0.92 0.31 103.07 107.78 1zrf h GLY 184 Ca 0.20 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 1zrf h GLY 184 CO -0.04 0.26 -0.53 -0.09 0.00 0.00 0.00 176.54 176.13 1zrf h ARG 185 N 0.91 0.80 -0.36 4.80 2.43 -0.98 -2.87 114.38 119.11 1zrf h ARG 185 Ca 0.34 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 1zrf h ARG 185 Cb 0.13 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1zrf h ARG 185 CO -0.16 1.13 -0.28 0.82 -1.51 0.00 0.00 179.97 179.98 1zrf h ILE 186 N 0.62 1.28 -0.67 1.20 2.04 -0.55 -2.18 117.51 119.24 1zrf h ILE 186 Ca 0.02 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 1zrf h ILE 186 Cb 1.13 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 1zrf h ILE 186 CO 0.12 0.47 0.23 -0.07 0.00 0.00 0.00 178.15 178.89 1zrf h LEU 187 N 0.65 0.94 -0.79 1.44 3.38 -0.95 0.56 115.31 120.54 1zrf h LEU 187 Ca 0.08 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1zrf h LEU 187 Cb 0.80 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1zrf h LEU 187 CO 0.07 0.86 0.32 0.11 0.09 0.00 0.00 178.44 179.89 1zrf h LYS 188 N 0.99 1.18 -0.42 1.13 1.57 -1.27 -0.39 116.57 119.36 1zrf h LYS 188 Ca 0.22 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1zrf h LYS 188 Cb 0.25 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1zrf h LYS 188 CO -0.01 0.95 -0.23 0.52 -0.57 0.00 0.00 179.45 180.11 1zrf h MET 189 N 1.15 0.85 -0.13 3.15 2.86 -0.91 -0.57 114.93 121.32 1zrf h MET 189 Ca 0.26 -0.35 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 1zrf h MET 189 Cb 0.21 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1zrf h MET 189 CO -0.02 0.99 -0.34 -0.07 1.06 0.00 0.00 176.91 178.52 1zrf h LEU 190 N 0.73 0.27 -0.32 1.22 3.38 -0.55 -2.09 115.31 117.95 1zrf h LEU 190 Ca 0.10 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1zrf h LEU 190 Cb 0.77 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1zrf h LEU 190 CO 0.06 0.60 -0.31 -0.08 0.09 0.00 0.00 178.44 178.80 1zrf h GLU 191 N 0.23 0.78 -0.37 1.13 4.81 -0.78 -1.92 114.58 118.46 1zrf h GLU 191 Ca 0.03 -0.41 0.11 0.00 -0.13 0.00 0.00 59.36 58.96 1zrf h GLU 191 Cb 0.72 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1zrf h GLU 191 CO 0.05 1.04 0.30 -0.44 -0.73 0.00 0.00 179.01 179.23 1zrf h ASP 192 N 0.55 0.00 -0.29 1.04 3.45 -0.64 0.37 116.42 120.90 1zrf h ASP 192 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1zrf h ASP 192 Cb 0.89 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 1zrf h ASP 192 CO 0.08 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.75 1zrf n GLN 193 N -4.18 2.08 -2.65 3.56 6.02 -0.83 -4.95 117.38 116.44 1zrf n GLN 193 Ca 0.06 -1.64 -0.20 0.00 -0.01 0.00 0.00 57.00 55.21 1zrf n GLN 193 Cb 0.48 -1.44 0.01 0.00 1.02 0.00 0.00 30.24 30.32 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 0.85 -5.78 -0.00 1.08 3.02 0.13 -4.88 115.26 109.68 1zrf n ASN 194 Ca 0.17 -0.13 -0.01 0.00 -0.03 0.00 0.00 54.58 54.58 1zrf n ASN 194 Cb 0.45 -4.72 -0.11 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.29 0.56 -4.08 3.41 4.77 -0.75 -4.90 117.00 112.72 1zrf n LEU 195 Ca -0.18 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1zrf n LEU 195 Cb 0.65 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 1zrf n LEU 195 CO 0.35 0.20 0.02 0.27 -1.33 0.00 0.00 177.39 176.90 1zrf s ILE 196 N -2.92 0.00 -0.07 -0.08 -4.36 -1.24 -2.53 121.20 110.01 1zrf s ILE 196 Ca -0.05 -1.64 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 1zrf s ILE 196 Cb 0.09 -2.34 0.03 0.00 1.25 0.00 0.00 42.46 41.48 1zrf s ILE 196 CO 0.83 0.00 -0.01 -0.55 0.24 0.00 0.00 174.94 175.45 1zrf s SER 197 N -3.09 1.53 -0.13 4.36 0.15 -0.75 -4.28 113.70 111.49 1zrf s SER 197 Ca 0.29 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.83 1zrf s SER 197 Cb 0.02 -0.48 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 1zrf s SER 197 CO 0.11 -0.16 -0.13 0.00 1.20 0.00 0.00 173.24 174.25 1zrf s ALA 198 N 1.77 1.73 -0.21 5.45 0.00 -1.26 -0.95 121.76 128.28 1zrf s ALA 198 Ca 0.02 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1zrf s ALA 198 Cb -0.13 -0.98 0.05 0.00 0.00 0.00 0.00 23.12 22.07 1zrf s ALA 198 CO -0.05 -0.32 -0.07 -1.01 0.00 0.00 0.00 175.76 174.32 1zrf s HIS 199 N 1.41 2.30 0.00 0.00 3.76 -0.60 -5.02 115.29 117.14 1zrf s HIS 199 Ca 0.02 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.33 1zrf s HIS 199 Cb -0.13 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 32.00 1zrf s HIS 199 CO -0.08 -0.74 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 1zrf n GLY 200 N 4.70 3.58 0.18 -2.22 0.00 -1.26 -1.37 105.19 108.80 1zrf n GLY 200 Ca -0.13 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 13.94 0.72 -3.21 1.61 5.02 -1.26 -4.85 118.16 130.13 1zrf n LYS 201 Ca 0.00 -0.36 -0.40 0.00 -2.02 0.00 0.00 58.31 55.54 1zrf n LYS 201 Cb 0.00 -1.49 -0.07 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 -2.52 5.07 -0.09 -0.18 2.01 -0.47 -1.19 115.64 118.27 1zrf s THR 202 Ca 0.25 0.99 0.03 0.00 0.31 0.00 0.00 61.69 63.28 1zrf s THR 202 Cb 0.19 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1zrf s THR 202 CO 0.51 0.13 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.74 1zrf s ILE 203 N 1.96 1.69 -0.23 1.82 1.01 0.40 -1.56 121.20 126.28 1zrf s ILE 203 Ca 0.24 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 1zrf s ILE 203 Cb -0.16 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1zrf s ILE 203 CO 0.09 0.48 0.08 -0.69 0.00 0.00 0.00 174.94 174.90 1zrf s VAL 204 N 0.50 4.55 -0.43 2.92 1.01 -0.12 -0.78 120.40 128.05 1zrf s VAL 204 Ca -0.16 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1zrf s VAL 204 Cb -0.17 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1zrf s VAL 204 CO 0.06 0.36 0.42 -0.69 0.00 0.00 0.00 175.10 175.26 1zrf s VAL 205 N 1.27 5.12 0.28 2.92 1.01 0.17 -1.81 120.40 129.37 1zrf s VAL 205 Ca 0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1zrf s VAL 205 Cb -0.15 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 1zrf s VAL 205 CO 0.04 -0.45 1.54 -0.31 0.00 0.00 0.00 175.10 175.91 1zrf s TYR 206 N 2.02 2.83 0.00 5.22 4.12 -1.05 -2.38 117.35 128.12 1zrf s TYR 206 Ca 0.10 0.88 0.00 0.00 0.02 0.00 0.00 57.07 58.07 1zrf s TYR 206 Cb -0.19 -3.99 0.00 0.00 -1.52 0.00 0.00 41.96 36.27 1zrf s TYR 206 CO 0.12 -3.26 0.00 0.41 0.02 0.00 0.00 175.55 172.84