#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h83 s HIS -22 N 0.00 -0.14 0.13 3.17 0.00 0.11 -4.80 115.29 113.75 3h83 s HIS -22 Ca 0.00 0.06 -0.08 0.00 -3.00 0.00 0.00 55.06 52.04 3h83 s HIS -22 Cb 0.00 0.12 -0.01 0.00 -4.00 0.00 0.00 32.58 28.69 3h83 s HIS -22 CO 0.00 -0.50 0.22 -3.38 -1.00 0.00 0.00 174.74 170.08 3h83 s HIS -21 N -2.35 0.33 0.25 0.38 0.00 -1.26 0.61 115.29 113.25 3h83 s HIS -21 Ca -0.06 -0.73 -0.22 0.00 -3.00 0.00 0.00 55.06 51.05 3h83 s HIS -21 Cb -0.01 -0.10 0.03 0.00 -4.00 0.00 0.00 32.58 28.50 3h83 s HIS -21 CO -0.02 -0.62 0.77 -3.38 -1.00 0.00 0.00 174.74 170.49 3h83 s HIS -20 N -3.93 -0.19 0.14 0.38 0.00 -0.50 -5.00 115.29 106.20 3h83 s HIS -20 Ca 0.12 -0.24 0.10 0.00 -3.00 0.00 0.00 55.06 52.04 3h83 s HIS -20 Cb 0.04 0.69 -0.04 0.00 -4.00 0.00 0.00 32.58 29.28 3h83 s HIS -20 CO -0.05 -1.14 -0.23 -3.38 -1.00 0.00 0.00 174.74 168.95 3h83 s HIS -19 N -3.78 2.03 0.21 0.38 0.00 -1.26 0.44 115.29 113.31 3h83 s HIS -19 Ca 0.11 -0.41 0.00 0.00 -3.00 0.00 0.00 55.06 51.76 3h83 s HIS -19 Cb -0.05 -1.07 -0.04 0.00 -4.00 0.00 0.00 32.58 27.42 3h83 s HIS -19 CO 0.05 0.32 0.10 -3.38 -1.00 0.00 0.00 174.74 170.83 3h83 s HIS -18 N -1.40 1.28 0.19 0.38 0.00 -0.30 -4.99 115.29 110.43 3h83 s HIS -18 Ca 0.13 -1.25 -0.26 0.00 -3.00 0.00 0.00 55.06 50.68 3h83 s HIS -18 Cb -0.09 -0.69 -0.08 0.00 -4.00 0.00 0.00 32.58 27.72 3h83 s HIS -18 CO 0.06 -0.47 0.80 -1.58 -1.00 0.00 0.00 174.74 172.55 3h83 s HIS -17 N -3.95 3.90 0.35 0.38 5.04 -1.26 -1.30 115.29 118.45 3h83 s HIS -17 Ca 0.35 1.67 0.03 0.00 -1.54 0.00 0.00 55.06 55.58 3h83 s HIS -17 Cb 0.07 -2.79 -0.04 0.00 0.04 0.00 0.00 32.58 29.86 3h83 s HIS -17 CO 0.11 0.49 0.11 -1.54 -2.34 0.00 0.00 174.74 171.56 3h83 s SER -16 N -1.20 2.31 -0.06 9.88 1.04 -1.26 -4.87 113.70 119.54 3h83 s SER -16 Ca 0.37 -1.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.24 3h83 s SER -16 Cb -0.23 0.28 -0.08 0.00 0.10 0.00 0.00 66.02 66.09 3h83 s SER -16 CO 0.27 -0.81 1.49 0.61 0.98 0.00 0.00 173.24 175.78 3h83 n GLY -10 N -0.75 1.72 3.04 7.32 0.00 -1.26 -4.61 105.19 110.66 3h83 n GLY -10 Ca -0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 3h83 n GLY -10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h83 s THR -9 N 2.58 -0.00 0.03 2.61 2.01 -1.26 -5.02 115.64 116.58 3h83 s THR -9 Ca 0.21 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.31 3h83 s THR -9 Cb 0.09 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 3h83 s THR -9 CO -0.00 0.01 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.07 3h83 s GLU -8 N 0.20 1.77 -0.18 4.92 2.02 -0.42 -4.99 118.70 122.02 3h83 s GLU -8 Ca -0.01 -1.04 -0.05 0.00 0.02 0.00 0.00 54.97 53.89 3h83 s GLU -8 Cb -0.02 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 3h83 s GLU -8 CO -0.00 0.49 0.00 -0.80 0.02 0.00 0.00 175.26 174.97 3h83 s ASN -7 N -1.10 5.04 -0.11 -0.19 0.01 -1.26 -1.15 114.94 116.17 3h83 s ASN -7 Ca 0.11 -0.10 0.03 0.00 -0.71 0.00 0.00 52.86 52.19 3h83 s ASN -7 Cb -0.10 -1.85 -0.00 0.00 0.41 0.00 0.00 41.25 39.71 3h83 s ASN -7 CO 0.01 0.13 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.76 3h83 s LEU -6 N 0.60 2.21 -0.12 0.60 1.02 0.17 -4.99 118.68 118.16 3h83 s LEU -6 Ca -0.00 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 53.64 3h83 s LEU -6 Cb -0.14 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.63 3h83 s LEU -6 CO 0.02 0.15 -0.18 -0.47 0.02 0.00 0.00 176.35 175.89 3h83 s TYR -5 N 0.41 2.25 -0.02 0.29 5.04 -1.26 -1.40 117.35 122.66 3h83 s TYR -5 Ca -0.16 -1.10 0.06 0.00 -2.44 0.00 0.00 57.07 53.43 3h83 s TYR -5 Cb -0.17 -1.58 -0.02 0.00 0.35 0.00 0.00 41.96 40.54 3h83 s TYR -5 CO 0.07 -0.54 -0.21 -0.06 -1.34 0.00 0.00 175.55 173.47 3h83 s PHE -4 N 0.94 1.91 0.40 4.97 0.08 0.20 -5.00 117.98 121.48 3h83 s PHE -4 Ca -0.06 -0.37 -0.23 0.00 0.12 0.00 0.00 56.93 56.39 3h83 s PHE -4 Cb -0.15 -1.23 -0.10 0.00 -0.57 0.00 0.00 43.02 40.97 3h83 s PHE -4 CO -0.02 -0.04 0.98 -0.65 -0.10 0.00 0.00 175.22 175.39 3h83 s GLN -3 N -0.48 4.27 0.36 0.44 -1.52 -1.26 0.09 119.66 121.57 3h83 s GLN -3 Ca 0.08 1.29 0.05 0.00 -1.95 0.00 0.00 55.36 54.83 3h83 s GLN -3 Cb -0.08 -2.43 0.73 0.00 -0.22 0.00 0.00 33.01 31.00 3h83 s GLN -3 CO -0.01 -0.01 1.98 0.77 -0.25 0.00 0.00 175.29 177.78 3h83 h SER -2 N 2.38 0.66 -0.49 5.90 0.02 -1.94 -1.97 113.55 118.09 3h83 h SER -2 Ca -0.48 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3h83 h SER -2 Cb 1.20 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3h83 h SER -2 CO 0.62 0.44 0.00 -3.20 -1.14 0.00 0.00 176.83 173.56 3h83 n ASN -1 N -4.47 5.14 -4.73 3.07 5.15 -1.26 -4.97 115.26 113.19 3h83 n ASN -1 Ca 0.09 -2.92 -0.42 0.00 -0.60 0.00 0.00 54.58 50.74 3h83 n ASN -1 Cb 0.16 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 38.75 3h83 n ASN -1 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h83 s ALA 0 N -2.70 3.56 -0.05 5.20 0.00 -0.74 -5.02 121.76 122.01 3h83 s ALA 0 Ca 0.51 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.67 3h83 s ALA 0 Cb 0.39 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3h83 s ALA 0 CO 0.15 -0.58 -0.23 -1.64 0.00 0.00 0.00 175.76 173.46 3h83 s MET 1 N 0.16 2.21 0.22 0.00 -1.94 -1.26 -4.99 119.30 113.70 3h83 s MET 1 Ca 0.59 -0.81 -0.09 0.00 -1.71 0.00 0.00 55.69 53.67 3h83 s MET 1 Cb -0.37 -1.93 0.32 0.00 2.01 0.00 0.00 34.83 34.85 3h83 s MET 1 CO 0.37 0.37 1.71 0.52 -0.01 0.00 0.00 175.02 177.98 3h83 h MET 2 N 6.01 0.29 -0.55 2.03 2.86 -2.01 -2.35 114.93 121.21 3h83 h MET 2 Ca -0.34 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.38 3h83 h MET 2 Cb 1.17 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 3h83 h MET 2 CO 0.47 0.19 0.37 -2.95 1.06 0.00 0.00 176.91 176.06 3h83 h ASN 3 N 0.30 0.32 0.83 1.22 7.08 -1.96 0.30 115.58 123.66 3h83 h ASN 3 Ca 0.33 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.56 3h83 h ASN 3 Cb 0.48 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.66 3h83 h ASN 3 CO -0.39 0.20 0.00 0.00 -2.08 0.00 0.00 177.43 175.15 3h83 n GLN 4 N -4.47 0.08 0.04 4.14 3.00 -0.89 -1.15 117.38 118.14 3h83 n GLN 4 Ca 0.09 0.22 0.13 0.00 -0.01 0.00 0.00 57.00 57.43 3h83 n GLN 4 Cb 0.36 -1.63 0.49 0.00 0.00 0.00 0.00 30.24 29.46 3h83 n GLN 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3h83 n ASP 5 N -1.78 0.37 -4.64 1.08 8.00 0.10 -4.83 116.55 114.86 3h83 n ASP 5 Ca 0.04 0.45 -0.38 0.00 0.71 0.00 0.00 54.79 55.62 3h83 n ASP 5 Cb 0.27 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.76 3h83 n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h83 s ILE 6 N -3.05 5.29 0.00 0.53 -1.09 -0.30 -1.25 121.20 121.34 3h83 s ILE 6 Ca 0.12 0.34 -0.25 0.00 -2.23 0.00 0.00 60.65 58.63 3h83 s ILE 6 Cb 0.16 -3.58 -0.19 0.00 -1.58 0.00 0.00 42.46 37.27 3h83 s ILE 6 CO 0.58 0.28 1.33 -0.08 -1.23 0.00 0.00 174.94 175.82 3h83 h GLU 7 N 7.77 -0.06 -3.12 2.79 4.81 -0.88 -3.46 114.58 122.43 3h83 h GLU 7 Ca -0.36 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.77 3h83 h GLU 7 Cb 1.17 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.38 3h83 h GLU 7 CO 0.64 0.32 -0.23 0.15 -0.73 0.00 0.00 179.01 179.17 3h83 s LYS 8 N -4.61 0.77 -0.16 1.92 1.02 -1.23 -5.02 119.74 112.44 3h83 s LYS 8 Ca -0.15 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 3h83 s LYS 8 Cb 0.02 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.66 3h83 s LYS 8 CO 0.65 -0.24 1.15 0.08 -0.92 0.00 0.00 175.35 176.07 3h83 s VAL 9 N -2.00 4.47 -0.11 3.17 1.01 -1.26 -0.59 120.40 125.09 3h83 s VAL 9 Ca -0.09 1.77 -0.04 0.00 0.00 0.00 0.00 61.98 63.62 3h83 s VAL 9 Cb -0.03 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3h83 s VAL 9 CO 0.00 -0.10 0.07 0.25 0.00 0.00 0.00 175.10 175.32 3h83 h LEU 10 N 9.10 0.00 -8.21 3.92 5.85 -0.75 -3.46 115.31 121.77 3h83 h LEU 10 Ca -0.26 -0.11 -0.67 0.00 0.84 0.00 0.00 57.88 57.68 3h83 h LEU 10 Cb 1.11 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.83 3h83 h LEU 10 CO 0.94 0.60 -0.76 -0.63 -0.34 0.00 0.00 178.44 178.24 3h83 s ILE 11 N -1.71 2.88 0.73 4.05 -1.09 -0.54 -5.02 121.20 120.50 3h83 s ILE 11 Ca -0.04 -0.84 -0.11 0.00 -2.23 0.00 0.00 60.65 57.43 3h83 s ILE 11 Cb -0.00 -2.37 0.03 0.00 -1.58 0.00 0.00 42.46 38.54 3h83 s ILE 11 CO 0.11 0.34 1.07 -0.94 -1.23 0.00 0.00 174.94 174.29 3h83 s SER 12 N 1.37 5.01 0.22 3.58 1.04 -1.26 -1.36 113.70 122.31 3h83 s SER 12 Ca 0.03 1.72 -0.08 0.00 0.48 0.00 0.00 55.95 58.09 3h83 s SER 12 Cb -0.15 -2.51 0.21 0.00 0.10 0.00 0.00 66.02 63.67 3h83 s SER 12 CO -0.06 -1.69 1.89 -0.08 0.98 0.00 0.00 173.24 174.28 3h83 h GLU 13 N -0.86 1.06 -0.46 4.02 4.81 -1.96 -1.12 114.58 120.07 3h83 h GLU 13 Ca -0.44 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 3h83 h GLU 13 Cb 1.22 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 3h83 h GLU 13 CO 0.54 0.70 0.11 1.49 -0.73 0.00 0.00 179.01 181.12 3h83 h GLU 14 N 1.09 0.69 -0.53 1.92 4.81 -1.92 -0.06 114.58 120.57 3h83 h GLU 14 Ca 0.32 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3h83 h GLU 14 Cb -0.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3h83 h GLU 14 CO -0.09 0.63 0.20 1.96 -0.73 0.00 0.00 179.01 180.98 3h83 h GLN 15 N 0.67 0.81 -0.50 1.92 4.20 -1.74 -2.22 115.11 118.24 3h83 h GLN 15 Ca 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h83 h GLN 15 Cb 0.26 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3h83 h GLN 15 CO -0.00 0.72 0.31 0.82 -0.67 0.00 0.00 178.83 180.01 3h83 h ILE 16 N 0.72 1.14 -0.86 2.54 2.04 -0.82 -1.11 117.51 121.17 3h83 h ILE 16 Ca 0.18 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3h83 h ILE 16 Cb 0.23 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3h83 h ILE 16 CO -0.01 0.14 0.47 1.56 0.00 0.00 0.00 178.15 180.31 3h83 h GLN 17 N 0.67 1.19 -0.34 2.37 4.20 -0.83 -0.29 115.11 122.08 3h83 h GLN 17 Ca 0.18 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 3h83 h GLN 17 Cb -0.04 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3h83 h GLN 17 CO -0.04 0.87 -0.33 0.93 -0.67 0.00 0.00 178.83 179.60 3h83 h GLU 18 N 1.20 0.76 -0.35 1.46 5.08 -1.17 -2.54 114.58 119.02 3h83 h GLU 18 Ca 0.30 -0.36 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3h83 h GLU 18 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3h83 h GLU 18 CO -0.05 0.98 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.49 3h83 h LYS 19 N 0.64 0.78 -0.24 2.33 1.63 -0.61 -2.39 116.57 118.71 3h83 h LYS 19 Ca 0.07 -0.37 -0.07 0.00 -0.85 0.00 0.00 60.65 59.43 3h83 h LYS 19 Cb 0.86 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 3h83 h LYS 19 CO 0.08 0.99 -0.14 -0.39 -3.45 0.00 0.00 179.45 176.54 3h83 h VAL 20 N 0.57 1.22 -0.13 2.00 -1.51 -1.06 0.64 116.25 117.98 3h83 h VAL 20 Ca 0.07 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.56 3h83 h VAL 20 Cb 0.79 1.19 -0.01 0.00 -2.13 0.00 0.00 31.29 31.13 3h83 h VAL 20 CO 0.06 0.31 0.04 0.25 -1.23 0.00 0.00 177.57 177.00 3h83 h LEU 21 N 0.38 0.19 0.00 4.19 5.85 -1.32 0.63 115.31 125.24 3h83 h LEU 21 Ca 0.07 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3h83 h LEU 21 Cb 0.47 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.45 3h83 h LEU 21 CO 0.03 0.36 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.40 3h83 h GLU 22 N 0.01 -0.00 -0.71 1.25 4.81 -1.10 -2.46 114.58 116.38 3h83 h GLU 22 Ca 0.04 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3h83 h GLU 22 Cb 0.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3h83 h GLU 22 CO -0.00 0.14 0.17 -0.07 -0.73 0.00 0.00 179.01 178.52 3h83 h LEU 23 N -0.15 1.08 -0.76 1.64 3.38 -0.86 -2.25 115.31 117.39 3h83 h LEU 23 Ca -0.00 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.81 3h83 h LEU 23 Cb 0.15 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3h83 h LEU 23 CO 0.00 1.03 0.44 1.23 0.09 0.00 0.00 178.44 181.23 3h83 h GLY 24 N 1.08 1.13 1.24 0.83 0.00 -0.83 0.18 103.07 106.71 3h83 h GLY 24 Ca 0.22 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 3h83 h GLY 24 CO 0.00 0.18 -0.15 0.00 0.00 0.00 0.00 176.54 176.57 3h83 h ALA 25 N 1.39 0.86 -0.27 3.60 0.00 -1.17 -0.56 119.26 123.10 3h83 h ALA 25 Ca 0.34 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3h83 h ALA 25 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h83 h ALA 25 CO -0.20 0.64 -0.08 0.82 0.00 0.00 0.00 179.25 180.43 3h83 h ILE 26 N 0.78 1.29 -0.74 0.00 2.04 -0.97 -2.30 117.51 117.61 3h83 h ILE 26 Ca 0.12 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 3h83 h ILE 26 Cb 0.68 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3h83 h ILE 26 CO 0.05 0.35 0.26 0.40 0.00 0.00 0.00 178.15 179.21 3h83 h ILE 27 N 0.27 1.26 -0.49 -0.67 2.04 -0.55 -1.20 117.51 118.16 3h83 h ILE 27 Ca 0.07 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 3h83 h ILE 27 Cb 0.57 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3h83 h ILE 27 CO 0.03 0.34 0.03 0.00 0.00 0.00 0.00 178.15 178.55 3h83 h ALA 28 N 1.18 1.12 -0.31 1.87 0.00 -0.96 -1.13 119.26 121.04 3h83 h ALA 28 Ca 0.24 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3h83 h ALA 28 Cb 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h83 h ALA 28 CO -0.01 0.57 -0.37 1.49 0.00 0.00 0.00 179.25 180.92 3h83 h GLU 29 N 0.76 0.79 0.00 0.00 4.57 -1.12 -2.64 114.58 116.94 3h83 h GLU 29 Ca 0.15 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.82 3h83 h GLU 29 Cb 0.42 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3h83 h GLU 29 CO 0.01 1.08 -0.31 -0.44 -1.18 0.00 0.00 179.01 178.17 3h83 h ASP 30 N 0.56 0.00 -0.45 1.04 3.32 -0.84 -2.99 116.42 117.06 3h83 h ASP 30 Ca 0.04 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.85 3h83 h ASP 30 Cb 0.96 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 3h83 h ASP 30 CO 0.09 0.31 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.69 3h83 n TYR 31 N -3.76 1.41 0.22 4.55 4.01 -0.46 -4.73 117.16 118.39 3h83 n TYR 31 Ca -0.01 -1.70 0.06 0.00 -0.16 0.00 0.00 57.90 56.08 3h83 n TYR 31 Cb 0.40 -0.56 0.48 0.00 -0.31 0.00 0.00 39.34 39.35 3h83 n TYR 31 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3h83 h LYS 32 N 1.06 0.00 -0.28 -0.72 3.64 -1.32 -3.16 116.57 115.80 3h83 h LYS 32 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3h83 h LYS 32 Cb 1.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.59 3h83 h LYS 32 CO 0.51 0.25 0.00 0.27 -2.27 0.00 0.00 179.45 178.21 3h83 n ASN 33 N -4.07 2.39 -3.57 4.20 6.94 -1.26 -4.96 115.26 114.92 3h83 n ASN 33 Ca -0.02 -1.85 -0.12 0.00 -0.02 0.00 0.00 54.58 52.57 3h83 n ASN 33 Cb 0.32 -0.18 -0.04 0.00 -2.36 0.00 0.00 39.78 37.51 3h83 n ASN 33 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3h83 s THR 34 N -1.64 0.04 -0.63 5.53 -1.32 -1.19 -5.10 115.64 111.33 3h83 s THR 34 Ca 0.34 -0.35 -0.14 0.00 -1.21 0.00 0.00 61.69 60.33 3h83 s THR 34 Cb 0.19 -1.06 0.16 0.00 -1.51 0.00 0.00 72.50 70.28 3h83 s THR 34 CO 0.27 -0.19 0.56 -0.69 -2.21 0.00 0.00 174.62 172.36 3h83 s VAL 35 N -3.33 5.11 0.68 5.08 1.01 -1.26 -4.88 120.40 122.82 3h83 s VAL 35 Ca -0.00 -1.93 -0.12 0.00 0.00 0.00 0.00 61.98 59.93 3h83 s VAL 35 Cb 0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3h83 s VAL 35 CO -0.09 -0.91 1.07 -2.16 0.00 0.00 0.00 175.10 173.01 3h83 s PRO 36 N 1.02 2.92 -0.44 2.72 0.04 -1.26 -4.74 135.00 135.26 3h83 s PRO 36 Ca 0.09 1.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.03 3h83 s PRO 36 Cb -0.23 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.37 3h83 s PRO 36 CO -0.02 -1.12 0.42 -1.17 0.04 0.00 0.00 177.00 175.15 3h83 s LEU 37 N -5.33 5.11 -0.26 -3.56 2.96 -0.17 -1.00 118.68 116.43 3h83 s LEU 37 Ca 0.60 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 3h83 s LEU 37 Cb -0.15 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 3h83 s LEU 37 CO 0.50 -0.60 0.48 0.00 -1.32 0.00 0.00 176.35 175.41 3h83 s ALA 38 N 1.97 3.58 -0.11 5.97 0.00 0.15 -0.86 121.76 132.46 3h83 s ALA 38 Ca 0.09 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3h83 s ALA 38 Cb -0.19 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3h83 s ALA 38 CO 0.11 -0.72 -0.23 0.42 0.00 0.00 0.00 175.76 175.34 3h83 s ILE 39 N 2.24 2.07 -0.09 0.00 1.01 0.24 -0.73 121.20 125.94 3h83 s ILE 39 Ca 0.20 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 3h83 s ILE 39 Cb -0.16 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 3h83 s ILE 39 CO 0.09 0.56 0.03 -0.83 0.00 0.00 0.00 174.94 174.79 3h83 s GLY 40 N 0.49 1.91 -0.31 6.18 0.00 -0.55 -0.75 107.32 114.29 3h83 s GLY 40 Ca -0.15 -0.78 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 3h83 s GLY 40 CO 0.05 -0.52 0.41 0.14 0.00 0.00 0.00 173.10 173.19 3h83 s VAL 41 N -0.87 5.13 0.59 1.40 1.01 -1.24 -1.63 120.40 124.80 3h83 s VAL 41 Ca 0.13 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.29 3h83 s VAL 41 Cb -0.11 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3h83 s VAL 41 CO 0.03 -0.02 1.15 -0.76 0.00 0.00 0.00 175.10 175.50 3h83 s LEU 42 N 2.14 3.63 -0.13 3.92 1.43 -0.43 -3.31 118.68 125.93 3h83 s LEU 42 Ca 0.15 2.22 0.17 0.00 -1.03 0.00 0.00 54.13 55.64 3h83 s LEU 42 Cb -0.16 -4.58 -0.24 0.00 0.03 0.00 0.00 46.19 41.24 3h83 s LEU 42 CO 0.11 -1.48 0.30 0.29 0.23 0.00 0.00 176.35 175.80 3h83 n LYS 43 N -1.70 0.67 0.21 1.70 5.02 -1.26 -4.73 118.16 118.07 3h83 n LYS 43 Ca 0.12 0.07 0.07 0.00 -2.02 0.00 0.00 58.31 56.55 3h83 n LYS 43 Cb 0.51 -1.61 0.59 0.00 -0.02 0.00 0.00 35.03 34.50 3h83 n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3h83 h GLY 44 N 3.86 0.10 1.92 0.72 0.00 -1.75 -2.38 103.07 105.53 3h83 h GLY 44 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3h83 h GLY 44 CO 0.04 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.62 3h83 n ALA 45 N -2.53 2.00 0.21 3.60 0.00 -1.21 -4.30 120.51 118.29 3h83 n ALA 45 Ca -0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 3h83 n ALA 45 Cb 0.10 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 3h83 n ALA 45 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3h83 h MET 46 N 0.00 -0.48 -0.46 0.00 2.86 -1.70 -0.73 114.93 114.42 3h83 h MET 46 Ca 0.00 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3h83 h MET 46 Cb 0.33 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 3h83 h MET 46 CO 0.00 -0.28 0.24 -1.35 1.06 0.00 0.00 176.91 176.59 3h83 h PRO 47 N -0.57 0.47 -0.50 -0.22 0.11 -1.83 -0.56 132.00 128.90 3h83 h PRO 47 Ca -0.05 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 3h83 h PRO 47 Cb 0.42 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3h83 h PRO 47 CO 0.08 0.31 0.15 0.35 -0.21 0.00 0.00 178.00 178.69 3h83 h PHE 48 N 0.49 0.81 -0.78 0.65 3.57 -1.78 -2.33 116.94 117.56 3h83 h PHE 48 Ca 0.19 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3h83 h PHE 48 Cb 0.07 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3h83 h PHE 48 CO -0.09 0.70 0.51 1.98 -2.23 0.00 0.00 178.31 179.18 3h83 h MET 49 N 0.68 0.98 -0.18 1.11 4.05 -0.65 0.17 114.93 121.09 3h83 h MET 49 Ca 0.16 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3h83 h MET 49 Cb 0.28 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3h83 h MET 49 CO -0.00 0.65 0.09 0.00 0.23 0.00 0.00 176.91 177.87 3h83 h ALA 50 N 1.31 0.23 -0.15 0.39 0.00 -0.96 -0.92 119.26 119.15 3h83 h ALA 50 Ca 0.30 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3h83 h ALA 50 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h83 h ALA 50 CO -0.09 -0.22 -0.59 -0.44 0.00 0.00 0.00 179.25 177.91 3h83 h ASP 51 N 0.16 0.55 -0.15 0.00 3.32 -1.00 -2.68 116.42 116.61 3h83 h ASP 51 Ca 0.06 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 3h83 h ASP 51 Cb 0.11 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3h83 h ASP 51 CO -0.01 1.01 -0.13 0.25 -1.72 0.00 0.00 179.24 178.65 3h83 h LEU 52 N 0.36 0.36 -1.25 1.55 5.85 -0.57 -3.16 115.31 118.45 3h83 h LEU 52 Ca -0.00 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 3h83 h LEU 52 Cb 1.13 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3h83 h LEU 52 CO 0.11 0.75 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.51 3h83 h LEU 53 N -0.02 0.00 -0.07 2.25 3.38 -1.17 -1.36 115.31 118.32 3h83 h LEU 53 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3h83 h LEU 53 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3h83 h LEU 53 CO 0.03 0.37 0.00 2.29 0.09 0.00 0.00 178.44 181.23 3h83 n LYS 54 N -4.07 0.04 -0.25 1.13 2.85 -1.01 -1.29 118.16 115.54 3h83 n LYS 54 Ca -0.02 0.18 0.08 0.00 -1.05 0.00 0.00 58.31 57.51 3h83 n LYS 54 Cb 0.41 -1.56 0.22 0.00 -0.65 0.00 0.00 35.03 33.45 3h83 n LYS 54 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3h83 n ARG 55 N -1.63 2.75 -3.61 -1.58 5.12 -0.55 -4.80 116.66 112.36 3h83 n ARG 55 Ca 0.05 -2.30 -0.40 0.00 -1.93 0.00 0.00 57.85 53.27 3h83 n ARG 55 Cb 0.25 -1.40 -0.09 0.00 -1.16 0.00 0.00 32.46 30.06 3h83 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3h83 s THR 56 N -1.02 4.04 -1.23 0.55 2.01 -0.41 -3.73 115.64 115.85 3h83 s THR 56 Ca 0.34 -2.04 -0.12 0.00 0.31 0.00 0.00 61.69 60.19 3h83 s THR 56 Cb 0.18 -3.67 0.18 0.00 0.01 0.00 0.00 72.50 69.21 3h83 s THR 56 CO 0.24 -0.79 1.58 -0.67 -0.69 0.00 0.00 174.62 174.28 3h83 n ASP 57 N 4.60 5.24 -3.52 3.53 2.03 -1.26 -4.85 116.55 122.31 3h83 n ASP 57 Ca -0.03 -3.04 -0.14 0.00 0.52 0.00 0.00 54.79 52.10 3h83 n ASP 57 Cb 0.41 -1.52 -0.04 0.00 -0.72 0.00 0.00 41.12 39.25 3h83 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3h83 s THR 58 N 0.86 0.02 0.16 5.18 -1.32 -1.26 -4.93 115.64 114.35 3h83 s THR 58 Ca 0.41 -0.15 -0.31 0.00 -1.21 0.00 0.00 61.69 60.42 3h83 s THR 58 Cb 0.01 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.90 3h83 s THR 58 CO 0.00 -0.08 1.68 -0.31 -2.21 0.00 0.00 174.62 173.70 3h83 s TYR 59 N -2.73 2.74 0.21 9.09 2.02 -1.26 -4.99 117.35 122.44 3h83 s TYR 59 Ca -0.04 0.36 -0.22 0.00 -0.37 0.00 0.00 57.07 56.81 3h83 s TYR 59 Cb -0.00 -4.05 0.05 0.00 -0.40 0.00 0.00 41.96 37.55 3h83 s TYR 59 CO -0.04 -4.07 0.64 -0.48 -1.57 0.00 0.00 175.55 170.03 3h83 s LEU 60 N 1.67 -0.38 0.08 -1.29 0.05 -1.26 -4.17 118.68 113.38 3h83 s LEU 60 Ca 0.74 -0.28 0.08 0.00 0.05 0.00 0.00 54.13 54.72 3h83 s LEU 60 Cb -0.46 2.59 -0.04 0.00 -2.05 0.00 0.00 46.19 46.24 3h83 s LEU 60 CO 0.33 -1.12 -0.16 -1.61 -0.55 0.00 0.00 176.35 173.23 3h83 s GLU 61 N -3.83 1.97 0.10 1.48 2.02 -0.17 -4.98 118.70 115.30 3h83 s GLU 61 Ca 0.06 -1.07 0.05 0.00 0.02 0.00 0.00 54.97 54.03 3h83 s GLU 61 Cb -0.03 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 3h83 s GLU 61 CO -0.04 0.51 0.01 -1.64 0.02 0.00 0.00 175.26 174.11 3h83 s MET 62 N -1.89 2.56 0.27 1.61 -1.94 -1.26 -0.68 119.30 117.97 3h83 s MET 62 Ca 0.17 -0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 53.13 3h83 s MET 62 Cb -0.11 -2.54 0.01 0.00 2.01 0.00 0.00 34.83 34.21 3h83 s MET 62 CO 0.09 0.53 0.61 0.34 -0.01 0.00 0.00 175.02 176.59 3h83 s ASP 63 N -2.38 -0.17 -0.01 3.03 -1.08 0.09 -4.92 116.67 111.24 3h83 s ASP 63 Ca 0.26 -0.77 -0.03 0.00 -0.52 0.00 0.00 52.55 51.50 3h83 s ASP 63 Cb -0.11 0.67 0.00 0.00 -1.46 0.00 0.00 42.92 42.02 3h83 s ASP 63 CO 0.19 -1.27 0.06 -0.36 0.52 0.00 0.00 175.17 174.31 3h83 s PHE 64 N -3.92 0.01 0.17 -5.34 0.08 -1.26 -1.48 117.98 106.24 3h83 s PHE 64 Ca 0.16 0.00 0.10 0.00 0.12 0.00 0.00 56.93 57.31 3h83 s PHE 64 Cb -0.04 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.34 3h83 s PHE 64 CO 0.08 -0.11 -0.21 -1.64 -0.10 0.00 0.00 175.22 173.24 3h83 s MET 65 N -0.50 1.35 -0.02 0.44 -1.94 -0.64 -4.37 119.30 113.62 3h83 s MET 65 Ca -0.06 -1.43 0.04 0.00 -1.71 0.00 0.00 55.69 52.53 3h83 s MET 65 Cb -0.04 -1.53 -0.01 0.00 2.01 0.00 0.00 34.83 35.26 3h83 s MET 65 CO 0.00 0.32 -0.13 0.00 -0.01 0.00 0.00 175.02 175.21 3h83 s ALA 66 N -1.82 1.10 0.10 3.03 0.00 -0.81 -1.31 121.76 122.05 3h83 s ALA 66 Ca 0.17 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 3h83 s ALA 66 Cb -0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 3h83 s ALA 66 CO 0.08 0.25 0.01 0.14 0.00 0.00 0.00 175.76 176.23 3h83 s VAL 67 N -0.18 0.21 0.03 0.00 -7.23 -1.26 -0.52 120.40 111.45 3h83 s VAL 67 Ca 0.03 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 3h83 s VAL 67 Cb -0.06 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 3h83 s VAL 67 CO -0.00 -0.71 -0.05 -0.44 -0.31 0.00 0.00 175.10 173.59 3h83 s SER 68 N -3.00 0.54 0.34 4.85 0.01 -0.41 -4.87 113.70 111.17 3h83 s SER 68 Ca 0.16 -0.57 -0.26 0.00 1.31 0.00 0.00 55.95 56.59 3h83 s SER 68 Cb 0.08 0.08 -0.09 0.00 0.21 0.00 0.00 66.02 66.29 3h83 s SER 68 CO -0.03 -0.29 1.02 -0.55 0.41 0.00 0.00 173.24 173.80 3h83 s SER 69 N -1.66 7.09 -0.08 2.44 0.15 -1.26 -0.40 113.70 119.98 3h83 s SER 69 Ca -0.11 2.01 0.12 0.00 0.70 0.00 0.00 55.95 58.67 3h83 s SER 69 Cb -0.08 -2.59 0.48 0.00 -1.71 0.00 0.00 66.02 62.12 3h83 s SER 69 CO -0.01 -0.25 1.33 -1.22 1.20 0.00 0.00 173.24 174.29 3h83 n TYR 70 N 0.45 1.02 0.00 3.44 0.53 -1.26 -4.81 117.16 116.53 3h83 n TYR 70 Ca 0.02 -0.40 0.00 0.00 -1.02 0.00 0.00 57.90 56.51 3h83 n TYR 70 Cb 0.49 -0.20 0.00 0.00 -1.03 0.00 0.00 39.34 38.60 3h83 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3h83 n GLY 71 N 0.81 0.73 0.32 2.72 0.00 -1.26 -4.32 105.19 104.18 3h83 n GLY 71 Ca 0.17 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.56 3h83 n GLY 71 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3h83 h HIS 72 N 0.00 0.44 -0.20 1.61 -0.00 -2.00 -2.90 115.15 112.09 3h83 h HIS 72 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3h83 h HIS 72 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.25 3h83 h HIS 72 CO 0.00 0.26 0.04 0.66 -0.00 0.00 0.00 177.93 178.89 3h83 h SER 73 N 0.46 0.25 -0.41 3.10 4.64 -1.96 -1.50 113.55 118.13 3h83 h SER 73 Ca 0.18 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 3h83 h SER 73 Cb 0.14 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3h83 h SER 73 CO -0.04 0.27 0.06 0.74 -0.87 0.00 0.00 176.83 176.99 3h83 h THR 74 N 0.28 1.24 -0.61 2.95 2.02 -1.67 -0.97 112.91 116.17 3h83 h THR 74 Ca 0.07 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.46 3h83 h THR 74 Cb 0.12 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3h83 h THR 74 CO -0.00 0.30 0.41 0.58 0.37 0.00 0.00 175.52 177.18 3h83 h VAL 75 N 0.53 0.94 0.00 3.16 2.07 -1.30 0.52 116.25 122.17 3h83 h VAL 75 Ca 0.12 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 3h83 h VAL 75 Cb 0.38 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3h83 h VAL 75 CO 0.01 0.09 -1.99 -1.54 0.02 0.00 0.00 177.57 174.15 3h83 n SER 76 N -4.48 0.04 0.00 0.57 3.41 -0.95 -4.70 113.62 107.52 3h83 n SER 76 Ca 0.09 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3h83 n SER 76 Cb 0.32 1.84 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 3h83 n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h83 n THR 77 N -2.32 0.00 0.00 6.66 -2.24 -0.38 -5.03 114.28 110.97 3h83 n THR 77 Ca -0.06 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3h83 n THR 77 Cb 0.62 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3h83 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h83 n GLY 78 N 2.02 3.17 3.68 3.38 0.00 0.16 -4.81 105.19 112.80 3h83 n GLY 78 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3h83 n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h83 n GLU 79 N -1.24 2.30 -4.28 1.61 2.13 -1.26 -4.15 120.64 115.75 3h83 n GLU 79 Ca 0.00 0.84 -0.15 0.00 0.66 0.00 0.00 57.16 58.50 3h83 n GLU 79 Cb 0.00 -2.67 -0.10 0.00 0.27 0.00 0.00 31.44 28.94 3h83 n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3h83 s VAL 80 N 2.64 1.23 -0.03 6.31 -7.23 -1.26 -4.14 120.40 117.92 3h83 s VAL 80 Ca 0.85 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 3h83 s VAL 80 Cb -0.64 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 3h83 s VAL 80 CO 0.44 -0.66 1.01 -0.75 -0.31 0.00 0.00 175.10 174.83 3h83 s LYS 81 N -3.75 4.50 -0.27 4.82 2.20 0.47 -4.90 119.74 122.80 3h83 s LYS 81 Ca 0.19 1.44 -0.26 0.00 -0.36 0.00 0.00 55.97 56.99 3h83 s LYS 81 Cb 0.03 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3h83 s LYS 81 CO 0.03 -0.17 0.91 0.42 -0.36 0.00 0.00 175.35 176.18 3h83 s ILE 82 N 1.39 4.73 -0.12 5.43 -1.09 -1.26 -1.29 121.20 128.99 3h83 s ILE 82 Ca 0.51 1.59 0.18 0.00 -2.23 0.00 0.00 60.65 60.71 3h83 s ILE 82 Cb -0.21 -4.22 -0.27 0.00 -1.58 0.00 0.00 42.46 36.19 3h83 s ILE 82 CO 0.25 -0.22 0.23 0.18 -1.23 0.00 0.00 174.94 174.15 3h83 n LEU 83 N 6.28 0.00 -3.55 2.97 4.77 0.33 -4.84 117.00 122.95 3h83 n LEU 83 Ca 0.08 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 3h83 n LEU 83 Cb 0.47 0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.70 3h83 n LEU 83 CO 0.51 0.26 -0.15 -0.75 -1.33 0.00 0.00 177.39 175.93 3h83 s LYS 84 N -2.86 0.19 0.64 3.23 2.47 -0.68 -4.90 119.74 117.82 3h83 s LYS 84 Ca -0.08 0.49 -0.05 0.00 -1.56 0.00 0.00 55.97 54.77 3h83 s LYS 84 Cb 0.09 -0.58 0.04 0.00 -1.46 0.00 0.00 37.83 35.92 3h83 s LYS 84 CO 0.80 -0.48 0.93 0.34 0.16 0.00 0.00 175.35 177.09 3h83 s ASP 85 N 2.39 5.12 0.58 1.43 -1.08 -1.26 -1.92 116.67 121.93 3h83 s ASP 85 Ca 0.05 0.40 -0.20 0.00 -0.52 0.00 0.00 52.55 52.28 3h83 s ASP 85 Cb -0.14 -1.20 -0.04 0.00 -1.46 0.00 0.00 42.92 40.08 3h83 s ASP 85 CO -0.11 -1.35 1.31 -0.76 0.52 0.00 0.00 175.17 174.78 3h83 s LEU 86 N -5.06 3.75 0.28 -1.34 1.43 -1.26 -4.84 118.68 111.64 3h83 s LEU 86 Ca 0.58 2.66 0.26 0.00 -1.03 0.00 0.00 54.13 56.59 3h83 s LEU 86 Cb -0.11 -4.42 0.81 0.00 0.03 0.00 0.00 46.19 42.51 3h83 s LEU 86 CO 0.43 -1.68 1.75 0.44 0.23 0.00 0.00 176.35 177.53 3h83 h ASP 87 N 1.14 0.00 -4.11 2.29 3.32 -1.97 -3.45 116.42 113.64 3h83 h ASP 87 Ca -0.51 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.22 3h83 h ASP 87 Cb 1.31 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.71 3h83 h ASP 87 CO 0.56 0.00 -0.69 0.28 -1.72 0.00 0.00 179.24 177.67 3h83 s THR 88 N -3.20 0.99 0.56 0.35 -1.32 -1.26 -5.15 115.64 106.62 3h83 s THR 88 Ca 0.08 -2.03 -0.17 0.00 -1.21 0.00 0.00 61.69 58.37 3h83 s THR 88 Cb 0.10 -2.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 3h83 s THR 88 CO 0.56 -0.60 1.04 -0.94 -2.21 0.00 0.00 174.62 172.47 3h83 s SER 89 N -3.19 6.02 -0.02 8.08 1.04 -1.26 -4.99 113.70 119.38 3h83 s SER 89 Ca 0.20 1.79 0.14 0.00 0.48 0.00 0.00 55.95 58.56 3h83 s SER 89 Cb 0.04 -2.53 -0.21 0.00 0.10 0.00 0.00 66.02 63.42 3h83 s SER 89 CO 0.03 -1.00 0.70 0.52 0.98 0.00 0.00 173.24 174.46 3h83 n VAL 90 N -1.78 1.50 -1.67 5.02 0.31 -1.26 -4.83 118.33 115.61 3h83 n VAL 90 Ca 0.08 -0.77 -0.55 0.00 -0.01 0.00 0.00 64.34 63.10 3h83 n VAL 90 Cb 0.53 -0.96 -0.06 0.00 -0.91 0.00 0.00 33.84 32.44 3h83 n VAL 90 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3h83 n GLU 91 N -3.00 1.30 -0.93 5.55 2.13 -1.15 -0.81 120.64 123.74 3h83 n GLU 91 Ca -0.15 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.14 3h83 n GLU 91 Cb 1.00 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.54 3h83 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h83 n GLY 92 N 3.71 0.72 3.87 8.31 0.00 -0.39 -4.91 105.19 116.50 3h83 n GLY 92 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3h83 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h83 s ARG 93 N -0.23 3.82 -0.41 1.61 1.81 0.01 -4.34 118.95 121.22 3h83 s ARG 93 Ca 0.00 0.30 -0.23 0.00 -1.72 0.00 0.00 55.73 54.08 3h83 s ARG 93 Cb 0.00 -2.68 0.02 0.00 -0.45 0.00 0.00 34.95 31.84 3h83 s ARG 93 CO 0.00 0.34 0.77 -0.51 -0.68 0.00 0.00 175.30 175.21 3h83 s ASP 94 N -2.28 6.46 -0.20 0.23 1.01 -1.26 0.01 116.67 120.64 3h83 s ASP 94 Ca 0.46 0.09 -0.10 0.00 0.71 0.00 0.00 52.55 53.71 3h83 s ASP 94 Cb -0.12 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 3h83 s ASP 94 CO 0.21 -0.81 0.13 -0.63 0.21 0.00 0.00 175.17 174.27 3h83 s ILE 95 N 3.15 5.31 -0.26 0.77 -1.09 -0.10 -1.00 121.20 127.97 3h83 s ILE 95 Ca 0.30 0.16 -0.00 0.00 -2.23 0.00 0.00 60.65 58.87 3h83 s ILE 95 Cb -0.13 -3.43 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3h83 s ILE 95 CO 0.20 0.43 -0.07 -0.22 -1.23 0.00 0.00 174.94 174.05 3h83 s LEU 96 N 0.49 3.41 -0.04 2.97 2.96 -0.04 -1.07 118.68 127.37 3h83 s LEU 96 Ca 0.07 -1.14 -0.21 0.00 -0.22 0.00 0.00 54.13 52.63 3h83 s LEU 96 Cb -0.12 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 3h83 s LEU 96 CO -0.01 -0.18 0.62 -0.63 -1.32 0.00 0.00 176.35 174.84 3h83 s ILE 97 N 1.23 4.98 -0.20 6.68 1.01 0.21 -0.59 121.20 134.53 3h83 s ILE 97 Ca -0.04 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.88 3h83 s ILE 97 Cb -0.18 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 3h83 s ILE 97 CO -0.04 0.35 -0.10 -0.69 0.00 0.00 0.00 174.94 174.46 3h83 s VAL 98 N 0.23 2.96 0.20 2.92 1.01 0.07 -0.62 120.40 127.17 3h83 s VAL 98 Ca 0.33 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.76 3h83 s VAL 98 Cb -0.18 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3h83 s VAL 98 CO 0.17 0.47 -0.18 -0.70 0.00 0.00 0.00 175.10 174.85 3h83 s GLU 99 N 1.32 1.38 -0.14 2.72 2.56 0.01 -3.59 118.70 122.95 3h83 s GLU 99 Ca 0.04 -1.53 -0.22 0.00 0.00 0.00 0.00 54.97 53.26 3h83 s GLU 99 Cb -0.14 -1.39 -0.25 0.00 2.00 0.00 0.00 34.13 34.35 3h83 s GLU 99 CO -0.05 0.27 0.54 0.38 -0.56 0.00 0.00 175.26 175.84 3h83 h ASP 100 N 2.90 0.15 -4.66 -1.70 2.03 -1.86 -2.18 116.42 111.10 3h83 h ASP 100 Ca -0.41 -0.80 -0.15 0.00 -0.73 0.00 0.00 57.03 54.94 3h83 h ASP 100 Cb 1.22 -0.05 -0.22 0.00 -0.83 0.00 0.00 39.33 39.45 3h83 h ASP 100 CO 0.55 1.37 -0.48 -0.51 -1.03 0.00 0.00 179.24 179.15 3h83 s ILE 101 N -2.36 0.06 -0.07 4.15 2.07 -1.26 -1.18 121.20 122.60 3h83 s ILE 101 Ca -0.22 -0.49 0.03 0.00 -1.41 0.00 0.00 60.65 58.56 3h83 s ILE 101 Cb 0.02 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.22 3h83 s ILE 101 CO 0.69 -0.27 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.67 3h83 s ILE 102 N -0.98 1.37 0.00 2.00 1.01 -1.00 -4.98 121.20 118.62 3h83 s ILE 102 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3h83 s ILE 102 Cb -0.06 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.19 3h83 s ILE 102 CO 0.01 0.41 0.00 -0.67 0.00 0.00 0.00 174.94 174.69 3h83 n ASP 103 N 3.73 0.00 0.12 3.58 -0.08 -1.26 -1.03 116.55 121.61 3h83 n ASP 103 Ca -0.22 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.05 3h83 n ASP 103 Cb 0.52 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.20 3h83 n ASP 103 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3h83 h SER 104 N 0.00 0.15 0.00 1.67 4.64 -1.87 -2.78 113.55 115.36 3h83 h SER 104 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3h83 h SER 104 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3h83 h SER 104 CO 0.00 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 3h83 n GLY 105 N -0.06 1.08 0.10 -0.77 0.00 -1.26 -0.60 105.19 103.69 3h83 n GLY 105 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3h83 n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h83 h LEU 106 N 0.00 -0.13 -0.57 0.99 3.38 -1.92 -1.16 115.31 115.89 3h83 h LEU 106 Ca 0.00 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3h83 h LEU 106 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3h83 h LEU 106 CO 0.00 0.02 0.08 0.74 0.09 0.00 0.00 178.44 179.37 3h83 h THR 107 N -0.28 1.26 -0.72 0.22 2.02 -1.88 -1.82 112.91 111.71 3h83 h THR 107 Ca -0.02 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 3h83 h THR 107 Cb 0.23 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3h83 h THR 107 CO 0.03 0.36 0.24 0.25 0.37 0.00 0.00 175.52 176.77 3h83 h LEU 108 N 0.85 1.04 -0.85 2.58 5.85 -1.87 -1.50 115.31 121.41 3h83 h LEU 108 Ca 0.17 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3h83 h LEU 108 Cb 0.43 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3h83 h LEU 108 CO 0.01 0.97 0.48 -1.28 -0.34 0.00 0.00 178.44 178.28 3h83 h SER 109 N 1.06 1.05 -0.80 1.25 0.87 -1.01 0.25 113.55 116.23 3h83 h SER 109 Ca 0.23 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 3h83 h SER 109 Cb 0.29 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 3h83 h SER 109 CO -0.01 0.84 0.49 0.22 -0.53 0.00 0.00 176.83 177.84 3h83 h TYR 110 N 1.18 0.91 -0.17 2.24 3.20 -0.63 -2.04 116.97 121.67 3h83 h TYR 110 Ca 0.30 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 62.02 3h83 h TYR 110 Cb 0.01 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 37.99 3h83 h TYR 110 CO 0.00 0.48 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.33 3h83 h LEU 111 N 0.92 0.83 -0.40 2.82 3.38 -0.60 -1.02 115.31 121.25 3h83 h LEU 111 Ca 0.34 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3h83 h LEU 111 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3h83 h LEU 111 CO -0.16 1.29 0.15 0.58 0.09 0.00 0.00 178.44 180.39 3h83 h VAL 112 N 0.42 0.90 0.00 1.22 2.07 -0.37 -1.08 116.25 119.40 3h83 h VAL 112 Ca -0.03 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3h83 h VAL 112 Cb 1.23 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3h83 h VAL 112 CO 0.13 0.06 -0.05 0.44 0.02 0.00 0.00 177.57 178.17 3h83 h ASP 113 N 0.31 0.00 -0.36 0.57 3.32 -1.35 -1.91 116.42 117.01 3h83 h ASP 113 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3h83 h ASP 113 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3h83 h ASP 113 CO -0.18 0.01 0.19 0.25 -1.72 0.00 0.00 179.24 177.79 3h83 h LEU 114 N 0.00 0.45 -1.07 1.55 5.85 -0.65 0.50 115.31 121.94 3h83 h LEU 114 Ca -0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 3h83 h LEU 114 Cb 1.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3h83 h LEU 114 CO 0.00 0.43 0.05 -0.26 -0.34 0.00 0.00 178.44 178.32 3h83 h PHE 115 N 0.45 0.74 -0.47 1.25 0.04 -0.76 0.11 116.94 118.30 3h83 h PHE 115 Ca 0.12 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 3h83 h PHE 115 Cb 0.08 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3h83 h PHE 115 CO -0.02 0.67 -0.01 0.87 -0.60 0.00 0.00 178.31 179.22 3h83 h LYS 116 N 0.68 0.84 -0.91 1.51 1.57 -1.24 -1.41 116.57 117.61 3h83 h LYS 116 Ca 0.15 -0.27 0.10 0.00 -1.87 0.00 0.00 60.65 58.75 3h83 h LYS 116 Cb 0.34 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.50 3h83 h LYS 116 CO 0.01 0.89 0.55 -0.92 -0.57 0.00 0.00 179.45 179.41 3h83 h TYR 117 N 0.69 1.00 0.00 -1.35 3.20 -0.55 -0.32 116.97 119.64 3h83 h TYR 117 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3h83 h TYR 117 Cb 0.52 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.48 3h83 h TYR 117 CO 0.04 0.41 0.00 0.54 -1.64 0.00 0.00 178.16 177.51 3h83 n ARG 118 N -4.67 0.75 -2.78 1.82 1.74 -0.00 -4.86 116.66 108.65 3h83 n ARG 118 Ca 0.16 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.13 3h83 n ARG 118 Cb 0.30 -1.20 0.03 0.00 -1.02 0.00 0.00 32.46 30.56 3h83 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3h83 n LYS 119 N -0.70 -2.91 -1.66 5.56 5.02 -0.13 -2.95 118.16 120.39 3h83 n LYS 119 Ca 0.07 0.41 -0.39 0.00 -2.02 0.00 0.00 58.31 56.38 3h83 n LYS 119 Cb 0.03 -4.19 0.03 0.00 -0.02 0.00 0.00 35.03 30.88 3h83 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h83 n ALA 120 N -3.07 0.70 -0.18 7.82 0.00 -0.57 -1.26 120.51 123.95 3h83 n ALA 120 Ca -0.03 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 3h83 n ALA 120 Cb 0.54 -2.19 0.03 0.00 0.00 0.00 0.00 19.45 17.83 3h83 n ALA 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h83 h LYS 121 N 1.29 1.02 -2.50 0.00 3.64 -0.61 -3.44 116.57 115.97 3h83 h LYS 121 Ca -0.48 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 58.49 3h83 h LYS 121 Cb 1.33 -0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 3h83 h LYS 121 CO 0.56 1.06 0.20 -1.54 -2.27 0.00 0.00 179.45 177.45 3h83 s SER 122 N -6.66 -0.61 -0.07 4.20 1.04 -1.17 -4.97 113.70 105.47 3h83 s SER 122 Ca -0.11 0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.67 3h83 s SER 122 Cb 0.13 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.85 3h83 s SER 122 CO 0.86 -0.79 -0.00 -0.69 0.98 0.00 0.00 173.24 173.60 3h83 s VAL 123 N -2.45 0.37 0.24 5.02 1.01 -1.26 -0.93 120.40 122.41 3h83 s VAL 123 Ca -0.05 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.10 3h83 s VAL 123 Cb -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3h83 s VAL 123 CO -0.01 0.25 -0.10 -0.54 0.00 0.00 0.00 175.10 174.70 3h83 s LYS 124 N 1.80 1.43 -0.05 2.72 1.02 -0.23 -5.00 119.74 121.43 3h83 s LYS 124 Ca 0.02 -1.69 0.02 0.00 0.02 0.00 0.00 55.97 54.34 3h83 s LYS 124 Cb -0.13 -1.11 0.02 0.00 -0.52 0.00 0.00 37.83 36.09 3h83 s LYS 124 CO -0.04 0.10 -0.08 0.42 -0.92 0.00 0.00 175.35 174.82 3h83 s ILE 125 N -3.01 0.81 -0.15 2.17 1.01 -1.26 -0.62 121.20 120.15 3h83 s ILE 125 Ca 0.26 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3h83 s ILE 125 Cb 0.02 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.73 3h83 s ILE 125 CO 0.09 0.28 -0.21 0.54 0.00 0.00 0.00 174.94 175.64 3h83 s VAL 126 N 0.67 2.07 -0.02 2.92 0.11 0.21 -1.44 120.40 124.93 3h83 s VAL 126 Ca -0.11 -0.97 0.06 0.00 -2.93 0.00 0.00 61.98 58.02 3h83 s VAL 126 Cb -0.14 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.86 3h83 s VAL 126 CO 0.02 0.55 -0.18 0.28 -3.33 0.00 0.00 175.10 172.43 3h83 s THR 127 N 0.93 1.44 0.04 5.04 -1.32 -0.32 -0.81 115.64 120.64 3h83 s THR 127 Ca -0.04 -0.78 -0.24 0.00 -1.21 0.00 0.00 61.69 59.42 3h83 s THR 127 Cb -0.15 -1.20 -0.17 0.00 -1.51 0.00 0.00 72.50 69.47 3h83 s THR 127 CO -0.05 0.41 1.51 0.25 -2.21 0.00 0.00 174.62 174.54 3h83 h LEU 128 N 5.70 0.01 -8.88 9.08 5.85 -1.39 -0.39 115.31 125.30 3h83 h LEU 128 Ca -0.37 -0.23 -0.69 0.00 0.84 0.00 0.00 57.88 57.42 3h83 h LEU 128 Cb 1.15 -0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.94 3h83 h LEU 128 CO 0.48 0.24 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.22 3h83 s LEU 129 N -9.73 2.40 -0.00 2.25 1.43 -0.33 -0.68 118.68 114.02 3h83 s LEU 129 Ca -0.14 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3h83 s LEU 129 Cb 0.04 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3h83 s LEU 129 CO 0.67 0.24 -0.08 -0.62 0.23 0.00 0.00 176.35 176.79 3h83 s ASP 130 N -1.51 0.92 -0.63 2.29 2.15 0.01 -2.36 116.67 117.54 3h83 s ASP 130 Ca 0.14 -0.16 0.05 0.00 0.43 0.00 0.00 52.55 53.01 3h83 s ASP 130 Cb -0.10 -0.10 0.20 0.00 -0.30 0.00 0.00 42.92 42.62 3h83 s ASP 130 CO 0.04 0.08 0.54 0.29 -0.17 0.00 0.00 175.17 175.96 3h83 n LYS 131 N 2.82 1.70 0.11 4.34 5.02 -0.20 -0.64 118.16 131.31 3h83 n LYS 131 Ca -0.14 -4.26 0.12 0.00 -2.02 0.00 0.00 58.31 52.01 3h83 n LYS 131 Cb 0.57 -2.11 0.46 0.00 -0.02 0.00 0.00 35.03 33.93 3h83 n LYS 131 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3h83 n PRO 132 N 1.75 0.18 0.00 1.97 -0.04 -1.26 -1.44 135.00 136.16 3h83 n PRO 132 Ca 0.24 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 64.20 3h83 n PRO 132 Cb 0.40 -1.81 0.56 0.00 -0.04 0.00 0.00 33.50 32.60 3h83 n PRO 132 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3h83 n THR 133 N -2.15 0.00 1.45 0.52 -2.24 -1.26 -3.18 114.28 107.42 3h83 n THR 133 Ca 0.03 -0.12 0.14 0.00 -2.27 0.00 0.00 64.05 61.83 3h83 n THR 133 Cb 0.26 0.13 0.55 0.00 -2.10 0.00 0.00 70.33 69.17 3h83 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h83 n GLY 134 N 1.25 -0.55 3.75 3.38 0.00 -0.52 -4.99 105.19 107.51 3h83 n GLY 134 Ca 0.16 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3h83 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h83 n ARG 135 N -0.51 2.08 0.00 1.61 5.12 -1.05 -3.81 116.66 120.11 3h83 n ARG 135 Ca 0.16 0.75 0.03 0.00 -1.93 0.00 0.00 57.85 56.86 3h83 n ARG 135 Cb 0.31 -2.57 0.02 0.00 -1.16 0.00 0.00 32.46 29.06 3h83 n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3h83 n LYS 136 N -0.29 -0.21 -3.83 5.56 5.02 0.24 -4.95 118.16 119.69 3h83 n LYS 136 Ca 0.06 -0.83 -0.11 0.00 -2.02 0.00 0.00 58.31 55.41 3h83 n LYS 136 Cb 0.42 -1.11 -0.09 0.00 -0.02 0.00 0.00 35.03 34.23 3h83 n LYS 136 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h83 s VAL 137 N -0.47 0.09 -0.27 -0.18 0.11 -1.22 -4.98 120.40 113.48 3h83 s VAL 137 Ca 0.07 -0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 3h83 s VAL 137 Cb 0.05 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3h83 s VAL 137 CO 0.07 -0.42 1.55 -0.62 -3.33 0.00 0.00 175.10 172.35 3h83 s ASP 138 N -1.82 6.38 -0.28 3.54 2.15 -1.26 -4.89 116.67 120.49 3h83 s ASP 138 Ca -0.08 1.40 -0.00 0.00 0.43 0.00 0.00 52.55 54.29 3h83 s ASP 138 Cb -0.03 -2.53 0.16 0.00 -0.30 0.00 0.00 42.92 40.22 3h83 s ASP 138 CO -0.01 -1.30 0.47 -0.22 -0.17 0.00 0.00 175.17 173.95 3h83 s LEU 139 N 5.26 -1.01 -0.25 -1.34 2.96 -1.26 -5.05 118.68 117.99 3h83 s LEU 139 Ca 0.68 0.27 -0.13 0.00 -0.22 0.00 0.00 54.13 54.73 3h83 s LEU 139 Cb -0.21 1.53 -0.04 0.00 0.50 0.00 0.00 46.19 47.96 3h83 s LEU 139 CO 0.29 -0.30 0.29 -0.54 -1.32 0.00 0.00 176.35 174.77 3h83 s LYS 140 N 2.67 4.06 0.31 1.98 -0.14 -1.26 -5.06 119.74 122.30 3h83 s LYS 140 Ca 0.14 -0.06 -0.28 0.00 -1.36 0.00 0.00 55.97 54.41 3h83 s LYS 140 Cb -0.14 -3.59 -0.09 0.00 -1.68 0.00 0.00 37.83 32.32 3h83 s LYS 140 CO -0.22 -0.11 1.08 0.00 -0.76 0.00 0.00 175.35 175.35 3h83 s ALA 141 N 1.54 3.31 0.25 5.17 0.00 -1.26 -4.92 121.76 125.85 3h83 s ALA 141 Ca 0.13 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.99 3h83 s ALA 141 Cb -0.15 -3.31 0.27 0.00 0.00 0.00 0.00 23.12 19.94 3h83 s ALA 141 CO 0.08 -0.17 1.57 -0.44 0.00 0.00 0.00 175.76 176.80 3h83 h ASP 142 N 3.45 0.16 -3.72 0.00 3.32 -1.71 -3.44 116.42 114.47 3h83 h ASP 142 Ca -0.47 -0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.21 3h83 h ASP 142 Cb 1.21 -0.05 -0.30 0.00 0.22 0.00 0.00 39.33 40.42 3h83 h ASP 142 CO 0.66 0.74 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.88 3h83 s TYR 143 N -3.66 0.16 -0.05 4.55 2.02 -0.52 -5.01 117.35 114.84 3h83 s TYR 143 Ca -0.03 -0.01 -0.03 0.00 -0.37 0.00 0.00 57.07 56.64 3h83 s TYR 143 Cb 0.12 -0.15 0.03 0.00 -0.40 0.00 0.00 41.96 41.56 3h83 s TYR 143 CO 0.79 -0.03 0.12 0.08 -1.57 0.00 0.00 175.55 174.94 3h83 s VAL 144 N 0.22 -0.04 -0.07 0.71 1.01 -1.26 -1.17 120.40 119.80 3h83 s VAL 144 Ca -0.02 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 3h83 s VAL 144 Cb -0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 3h83 s VAL 144 CO -0.01 0.06 0.37 1.23 0.00 0.00 0.00 175.10 176.75 3h83 h GLY 145 N 6.92 -0.29 -5.43 4.51 0.00 -0.53 -3.48 103.07 104.76 3h83 h GLY 145 Ca -0.39 0.11 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 3h83 h GLY 145 CO 0.43 -0.10 -0.57 -1.36 0.00 0.00 0.00 176.54 174.94 3h83 s PHE 146 N -2.52 -0.13 -0.08 5.60 0.08 0.15 -5.01 117.98 116.07 3h83 s PHE 146 Ca -0.05 0.31 -0.22 0.00 0.12 0.00 0.00 56.93 57.09 3h83 s PHE 146 Cb 0.00 0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.46 3h83 s PHE 146 CO 0.16 -0.07 0.64 0.99 -0.10 0.00 0.00 175.22 176.84 3h83 s THR 147 N 0.01 5.08 -0.14 0.64 2.01 -1.26 -0.81 115.64 121.18 3h83 s THR 147 Ca -0.01 1.31 -0.07 0.00 0.31 0.00 0.00 61.69 63.24 3h83 s THR 147 Cb -0.01 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3h83 s THR 147 CO 0.00 0.28 0.11 0.54 -0.69 0.00 0.00 174.62 174.86 3h83 s VAL 148 N 0.73 5.27 0.00 3.82 0.11 0.18 -4.89 120.40 125.62 3h83 s VAL 148 Ca 0.34 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 3h83 s VAL 148 Cb -0.17 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 3h83 s VAL 148 CO 0.16 0.57 0.00 -0.81 -3.33 0.00 0.00 175.10 171.69 3h83 n PRO 149 N 2.41 1.14 -2.20 1.54 -0.04 -1.26 -4.71 135.00 131.88 3h83 n PRO 149 Ca -0.19 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.95 3h83 n PRO 149 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 3h83 n PRO 149 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3h83 s HIS 150 N 0.28 2.16 -0.03 0.54 3.76 -1.26 -4.87 115.29 115.87 3h83 s HIS 150 Ca 0.00 -0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.80 3h83 s HIS 150 Cb 0.00 -4.19 0.01 0.00 1.11 0.00 0.00 32.58 29.51 3h83 s HIS 150 CO 0.00 -1.36 0.15 -1.21 -0.85 0.00 0.00 174.74 171.47 3h83 s GLU 151 N 5.92 0.34 -0.57 1.40 0.41 -1.26 -5.11 118.70 119.83 3h83 s GLU 151 Ca 0.65 -0.10 -0.25 0.00 -0.41 0.00 0.00 54.97 54.85 3h83 s GLU 151 Cb 0.00 0.15 0.04 0.00 -1.78 0.00 0.00 34.13 32.54 3h83 s GLU 151 CO 0.12 -0.07 1.00 0.12 -0.49 0.00 0.00 175.26 175.94 3h83 s PHE 152 N -0.68 2.73 -0.06 1.61 5.36 -1.26 -5.02 117.98 120.67 3h83 s PHE 152 Ca -0.08 0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 55.88 3h83 s PHE 152 Cb -0.05 -4.19 -0.04 0.00 -0.34 0.00 0.00 43.02 38.41 3h83 s PHE 152 CO 0.01 -1.44 0.14 0.14 -1.46 0.00 0.00 175.22 172.61 3h83 s VAL 153 N 4.20 5.27 0.20 3.12 -7.23 -1.26 -1.97 120.40 122.73 3h83 s VAL 153 Ca 0.32 -0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 3h83 s VAL 153 Cb -0.12 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 3h83 s VAL 153 CO 0.20 0.46 0.07 0.68 -0.31 0.00 0.00 175.10 176.20 3h83 s VAL 154 N -1.16 0.34 0.00 1.32 -7.23 -0.01 -4.76 120.40 108.91 3h83 s VAL 154 Ca 0.21 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 3h83 s VAL 154 Cb -0.12 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.47 3h83 s VAL 154 CO 0.11 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3h83 n GLY 155 N -0.28 2.49 3.68 2.32 0.00 0.55 -0.46 105.19 113.49 3h83 n GLY 155 Ca -0.02 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 3h83 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h83 n TYR 156 N 1.26 -2.27 0.00 1.61 9.36 -0.36 -1.69 117.16 125.08 3h83 n TYR 156 Ca 0.00 0.91 0.00 0.00 3.32 0.00 0.00 57.90 62.13 3h83 n TYR 156 Cb 0.00 -4.55 0.00 0.00 -0.63 0.00 0.00 39.34 34.16 3h83 n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h83 n GLY 157 N -1.61 2.69 3.73 2.98 0.00 -0.21 -4.51 105.19 108.26 3h83 n GLY 157 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3h83 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h83 s LEU 158 N 0.00 4.48 0.35 0.99 1.43 -0.68 -4.29 118.68 120.97 3h83 s LEU 158 Ca 0.00 1.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.98 3h83 s LEU 158 Cb 0.00 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 3h83 s LEU 158 CO 0.00 -0.11 0.11 1.51 0.23 0.00 0.00 176.35 178.09 3h83 s ASP 159 N 0.14 4.47 -0.21 2.29 -4.77 -1.26 -0.33 116.67 117.00 3h83 s ASP 159 Ca 0.48 -0.91 -0.02 0.00 -3.30 0.00 0.00 52.55 48.81 3h83 s ASP 159 Cb -0.23 -0.61 0.06 0.00 -1.09 0.00 0.00 42.92 41.04 3h83 s ASP 159 CO 0.30 -0.33 0.01 -0.47 0.70 0.00 0.00 175.17 175.38 3h83 s TYR 160 N -2.49 1.42 -1.45 2.11 5.04 -0.58 -4.84 117.35 116.56 3h83 s TYR 160 Ca 0.37 -1.12 -0.09 0.00 -2.44 0.00 0.00 57.07 53.79 3h83 s TYR 160 Cb -0.00 -1.19 0.04 0.00 0.35 0.00 0.00 41.96 41.15 3h83 s TYR 160 CO 0.22 -0.66 0.94 1.63 -1.34 0.00 0.00 175.55 176.34 3h83 n LYS 161 N 4.94 -6.21 -0.51 4.97 4.01 -1.26 -1.32 118.16 122.78 3h83 n LYS 161 Ca -0.10 0.75 0.00 0.00 -0.51 0.00 0.00 58.31 58.46 3h83 n LYS 161 Cb 0.46 -5.69 0.00 0.00 -0.51 0.00 0.00 35.03 29.29 3h83 n LYS 161 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3h83 n GLU 162 N -4.59 0.00 -2.98 1.97 -0.58 -1.26 -5.00 120.64 108.20 3h83 n GLU 162 Ca -0.01 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.50 3h83 n GLU 162 Cb 0.56 -2.05 0.01 0.00 -0.57 0.00 0.00 31.44 29.40 3h83 n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3h83 s GLN 163 N -0.01 3.04 0.00 3.49 -1.52 -0.43 -4.58 119.66 119.65 3h83 s GLN 163 Ca 0.00 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 52.89 3h83 s GLN 163 Cb 0.00 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 3h83 s GLN 163 CO 0.00 -0.29 0.00 0.66 -0.25 0.00 0.00 175.29 175.41 3h83 n TYR 164 N -2.08 0.00 0.28 0.91 4.01 -1.26 -1.53 117.16 117.48 3h83 n TYR 164 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 3h83 n TYR 164 Cb 0.58 -0.18 0.79 0.00 -0.31 0.00 0.00 39.34 40.22 3h83 n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h83 h ARG 165 N 2.56 0.00 -0.07 -0.72 3.08 -1.80 -2.46 114.38 114.96 3h83 h ARG 165 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h83 h ARG 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h83 h ARG 165 CO 0.00 0.03 0.00 0.27 -1.07 0.00 0.00 179.97 179.20 3h83 n ASN 166 N -4.02 1.37 -4.76 7.04 6.94 -1.26 -1.04 115.26 119.52 3h83 n ASN 166 Ca -0.03 -1.54 -0.41 0.00 -0.02 0.00 0.00 54.58 52.58 3h83 n ASN 166 Cb 0.12 -0.04 -0.01 0.00 -2.36 0.00 0.00 39.78 37.49 3h83 n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3h83 s LEU 167 N -1.80 4.34 -0.02 -4.53 1.43 -0.93 -4.83 118.68 112.33 3h83 s LEU 167 Ca 0.36 2.96 0.04 0.00 -1.03 0.00 0.00 54.13 56.46 3h83 s LEU 167 Cb 0.19 -3.65 0.14 0.00 0.03 0.00 0.00 46.19 42.90 3h83 s LEU 167 CO 0.30 -0.87 0.98 -0.81 0.23 0.00 0.00 176.35 176.19 3h83 n PRO 168 N 1.43 1.48 -4.09 1.29 -0.04 -1.26 -1.22 135.00 132.58 3h83 n PRO 168 Ca 0.05 -0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 62.84 3h83 n PRO 168 Cb 0.38 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 3h83 n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3h83 s TYR 169 N -1.65 0.83 -0.30 0.54 -0.85 -1.26 -4.10 117.35 110.56 3h83 s TYR 169 Ca 0.10 -1.10 -0.11 0.00 -0.52 0.00 0.00 57.07 55.44 3h83 s TYR 169 Cb 0.06 -0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 3h83 s TYR 169 CO 0.05 -0.94 0.20 0.08 -1.52 0.00 0.00 175.55 173.42 3h83 s VAL 170 N -3.74 5.29 0.22 -3.49 1.01 -0.46 -3.35 120.40 115.88 3h83 s VAL 170 Ca 0.30 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.43 3h83 s VAL 170 Cb 0.01 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3h83 s VAL 170 CO 0.14 0.18 -0.08 -0.83 0.00 0.00 0.00 175.10 174.51 3h83 s GLY 171 N 1.75 1.72 -0.31 4.51 0.00 0.39 -0.02 107.32 115.36 3h83 s GLY 171 Ca 0.07 -1.59 -0.19 0.00 0.00 0.00 0.00 44.72 43.01 3h83 s GLY 171 CO 0.11 -1.63 0.57 0.14 0.00 0.00 0.00 173.10 172.28 3h83 s VAL 172 N -2.02 4.99 0.22 1.40 1.01 0.24 -0.83 120.40 125.40 3h83 s VAL 172 Ca 0.28 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 3h83 s VAL 172 Cb -0.07 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3h83 s VAL 172 CO 0.17 -0.13 1.08 -0.22 0.00 0.00 0.00 175.10 176.00 3h83 s LEU 173 N 2.49 4.53 0.28 3.92 2.96 -0.83 -0.23 118.68 131.80 3h83 s LEU 173 Ca 0.22 2.13 -0.30 0.00 -0.22 0.00 0.00 54.13 55.96 3h83 s LEU 173 Cb -0.15 -3.61 -0.11 0.00 0.50 0.00 0.00 46.19 42.81 3h83 s LEU 173 CO 0.12 -0.16 1.62 -0.54 -1.32 0.00 0.00 176.35 176.07 3h83 s LYS 174 N -0.80 4.11 0.43 1.98 1.02 -0.38 -4.67 119.74 121.44 3h83 s LYS 174 Ca 0.47 2.60 0.18 0.00 0.02 0.00 0.00 55.97 59.23 3h83 s LYS 174 Cb -0.30 -3.02 1.10 0.00 -0.52 0.00 0.00 37.83 35.09 3h83 s LYS 174 CO 0.37 -0.66 1.87 -1.35 -0.92 0.00 0.00 175.35 174.66 3h83 h PRO 175 N 5.07 0.37 -0.65 -1.68 0.11 -1.91 0.11 132.00 133.41 3h83 h PRO 175 Ca -0.47 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3h83 h PRO 175 Cb 1.22 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3h83 h PRO 175 CO 0.81 0.25 0.43 0.66 -0.21 0.00 0.00 178.00 179.94 3h83 h SER 176 N 0.38 0.70 -0.31 -2.05 4.64 -1.90 0.44 113.55 115.44 3h83 h SER 176 Ca 0.44 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 3h83 h SER 176 Cb 1.13 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3h83 h SER 176 CO -0.15 0.49 0.12 0.58 -0.87 0.00 0.00 176.83 177.00 3h83 h VAL 177 N 0.81 1.18 -0.02 0.95 2.07 -1.13 -3.28 116.25 116.84 3h83 h VAL 177 Ca 0.25 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3h83 h VAL 177 Cb 0.01 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3h83 h VAL 177 CO -0.07 0.19 -0.26 0.00 0.02 0.00 0.00 177.57 177.46 3h83 n TYR 178 N -4.72 0.00 -0.86 1.57 0.18 -1.00 -5.11 117.16 107.22 3h83 n TYR 178 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 3h83 n TYR 178 Cb 0.14 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 3h83 n TYR 178 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21