#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb8 s HIS -22 N 0.00 -0.69 0.09 1.12 0.00 0.37 -4.78 115.29 111.41 3kb8 s HIS -22 Ca 0.00 1.36 -0.10 0.00 -3.00 0.00 0.00 55.06 53.32 3kb8 s HIS -22 Cb 0.00 0.36 0.00 0.00 -4.00 0.00 0.00 32.58 28.95 3kb8 s HIS -22 CO 0.00 -0.53 0.22 -3.38 -1.00 0.00 0.00 174.74 170.05 3kb8 s HIS -21 N -0.70 0.09 0.35 0.38 0.00 -1.26 0.83 115.29 114.98 3kb8 s HIS -21 Ca -0.08 -0.50 -0.16 0.00 -3.00 0.00 0.00 55.06 51.32 3kb8 s HIS -21 Cb -0.02 -0.01 0.04 0.00 -4.00 0.00 0.00 32.58 28.60 3kb8 s HIS -21 CO 0.07 -0.57 0.74 -3.38 -1.00 0.00 0.00 174.74 170.60 3kb8 s HIS -20 N -3.83 0.10 0.06 0.38 0.00 -0.28 -4.99 115.29 106.73 3kb8 s HIS -20 Ca 0.04 -0.68 0.05 0.00 -3.00 0.00 0.00 55.06 51.48 3kb8 s HIS -20 Cb 0.04 0.72 -0.03 0.00 -4.00 0.00 0.00 32.58 29.31 3kb8 s HIS -20 CO -0.11 -1.42 -0.13 -3.38 -1.00 0.00 0.00 174.74 168.69 3kb8 s HIS -19 N -2.89 1.15 0.31 0.38 0.00 -1.26 0.53 115.29 113.50 3kb8 s HIS -19 Ca 0.15 -0.45 0.03 0.00 -3.00 0.00 0.00 55.06 51.79 3kb8 s HIS -19 Cb -0.05 -0.65 -0.05 0.00 -4.00 0.00 0.00 32.58 27.83 3kb8 s HIS -19 CO 0.11 0.04 0.10 -3.38 -1.00 0.00 0.00 174.74 170.61 3kb8 s HIS -18 N -1.21 1.69 0.35 0.38 0.00 -0.08 -4.98 115.29 111.44 3kb8 s HIS -18 Ca -0.02 -1.18 -0.24 0.00 -3.00 0.00 0.00 55.06 50.62 3kb8 s HIS -18 Cb -0.10 -1.02 -0.10 0.00 -4.00 0.00 0.00 32.58 27.36 3kb8 s HIS -18 CO 0.02 -0.28 0.94 -1.58 -1.00 0.00 0.00 174.74 172.83 3kb8 s HIS -17 N -3.53 3.58 -0.10 0.38 5.04 -1.26 -2.12 115.29 117.27 3kb8 s HIS -17 Ca 0.35 1.71 -0.04 0.00 -1.54 0.00 0.00 55.06 55.54 3kb8 s HIS -17 Cb 0.07 -2.89 0.05 0.00 0.04 0.00 0.00 32.58 29.85 3kb8 s HIS -17 CO 0.15 0.12 0.21 -1.54 -2.34 0.00 0.00 174.74 171.34 3kb8 s SER -16 N -1.79 0.33 -0.40 9.88 1.04 -0.51 -4.84 113.70 117.41 3kb8 s SER -16 Ca 0.53 0.45 -0.02 0.00 0.48 0.00 0.00 55.95 57.39 3kb8 s SER -16 Cb -0.16 0.43 0.17 0.00 0.10 0.00 0.00 66.02 66.57 3kb8 s SER -16 CO 0.20 -0.22 2.31 -1.54 0.98 0.00 0.00 173.24 174.98 3kb8 n SER -15 N 5.01 6.57 -2.65 7.02 3.41 -1.26 -3.96 113.62 127.76 3kb8 n SER -15 Ca -0.11 -3.17 -0.05 0.00 -0.26 0.00 0.00 58.87 55.27 3kb8 n SER -15 Cb 0.50 -1.12 0.09 0.00 -0.26 0.00 0.00 64.21 63.43 3kb8 n SER -15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kb8 n GLY -14 N 0.46 1.00 0.00 5.00 0.00 -1.26 -5.02 105.19 105.37 3kb8 n GLY -14 Ca 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3kb8 n GLY -14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kb8 n VAL -13 N -0.71 0.00 -2.83 1.61 0.31 -1.25 -5.06 118.33 110.39 3kb8 n VAL -13 Ca -0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.04 3kb8 n VAL -13 Cb 0.81 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.73 3kb8 n VAL -13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kb8 n GLY -10 N -0.02 4.01 3.04 2.92 0.00 -1.26 -5.19 105.19 108.69 3kb8 n GLY -10 Ca 0.00 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.76 3kb8 n GLY -10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kb8 s THR -9 N -3.78 0.78 -0.07 2.61 2.01 -1.26 -1.43 115.64 114.50 3kb8 s THR -9 Ca 0.40 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.97 3kb8 s THR -9 Cb 0.38 -0.66 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 3kb8 s THR -9 CO -0.08 0.18 -0.22 -1.61 -0.69 0.00 0.00 174.62 172.20 3kb8 s GLU -8 N -0.33 2.44 -0.23 4.92 2.02 -0.90 -4.92 118.70 121.70 3kb8 s GLU -8 Ca 0.03 -0.78 -0.09 0.00 0.02 0.00 0.00 54.97 54.15 3kb8 s GLU -8 Cb -0.04 -1.98 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 3kb8 s GLU -8 CO -0.00 0.25 0.13 -0.80 0.02 0.00 0.00 175.26 174.86 3kb8 s ASN -7 N 0.12 5.89 -0.19 -0.19 0.01 -1.26 -0.91 114.94 118.42 3kb8 s ASN -7 Ca -0.09 0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.09 3kb8 s ASN -7 Cb -0.15 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.45 3kb8 s ASN -7 CO 0.05 0.07 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.89 3kb8 s LEU -6 N 1.01 2.90 -0.20 0.60 1.02 0.19 -4.98 118.68 119.21 3kb8 s LEU -6 Ca 0.06 -0.33 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 3kb8 s LEU -6 Cb -0.14 -1.71 -0.00 0.00 0.02 0.00 0.00 46.19 44.36 3kb8 s LEU -6 CO 0.04 0.06 -0.08 -0.31 0.02 0.00 0.00 176.35 176.07 3kb8 s TYR -5 N 1.01 2.91 0.02 0.29 2.02 -1.26 -1.13 117.35 121.22 3kb8 s TYR -5 Ca 0.00 -1.05 0.09 0.00 -0.37 0.00 0.00 57.07 55.74 3kb8 s TYR -5 Cb -0.15 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.34 3kb8 s TYR -5 CO -0.00 -0.57 -0.26 -0.06 -1.57 0.00 0.00 175.55 173.10 3kb8 s PHE -4 N 1.33 2.35 0.31 2.71 0.08 0.24 -4.99 117.98 120.01 3kb8 s PHE -4 Ca 0.04 -0.41 -0.18 0.00 0.12 0.00 0.00 56.93 56.51 3kb8 s PHE -4 Cb -0.14 -1.43 -0.09 0.00 -0.57 0.00 0.00 43.02 40.78 3kb8 s PHE -4 CO -0.04 0.08 0.78 -0.65 -0.10 0.00 0.00 175.22 175.29 3kb8 s GLN -3 N -1.05 4.14 0.50 0.44 -1.52 -1.26 -0.47 119.66 120.44 3kb8 s GLN -3 Ca 0.11 0.84 0.17 0.00 -1.95 0.00 0.00 55.36 54.53 3kb8 s GLN -3 Cb -0.10 -2.53 1.22 0.00 -0.22 0.00 0.00 33.01 31.38 3kb8 s GLN -3 CO 0.01 0.19 2.08 0.77 -0.25 0.00 0.00 175.29 178.10 3kb8 h SER -2 N 2.55 0.10 -0.32 5.90 0.02 -1.95 -2.79 113.55 117.07 3kb8 h SER -2 Ca -0.48 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kb8 h SER -2 Cb 1.18 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3kb8 h SER -2 CO 0.65 0.07 0.00 -3.20 -1.14 0.00 0.00 176.83 173.21 3kb8 n ASN -1 N -4.49 4.15 -4.74 3.07 5.15 -1.26 -4.95 115.26 112.19 3kb8 n ASN -1 Ca 0.02 -2.95 -0.41 0.00 -0.60 0.00 0.00 54.58 50.64 3kb8 n ASN -1 Cb 0.24 -0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 38.91 3kb8 n ASN -1 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kb8 s ALA 0 N -2.72 3.47 -0.02 5.20 0.00 -1.06 -5.02 121.76 121.60 3kb8 s ALA 0 Ca 0.44 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.48 3kb8 s ALA 0 Cb 0.34 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3kb8 s ALA 0 CO 0.11 -0.43 -0.19 -1.64 0.00 0.00 0.00 175.76 173.61 3kb8 s MET 1 N -0.52 1.60 0.21 0.00 -1.94 -1.26 -5.00 119.30 112.39 3kb8 s MET 1 Ca 0.53 -0.67 -0.11 0.00 -1.71 0.00 0.00 55.69 53.73 3kb8 s MET 1 Cb -0.35 -1.51 0.27 0.00 2.01 0.00 0.00 34.83 35.25 3kb8 s MET 1 CO 0.39 0.37 1.68 0.52 -0.01 0.00 0.00 175.02 177.98 3kb8 h MET 2 N 5.80 0.16 -0.50 2.03 2.86 -2.01 -2.34 114.93 120.91 3kb8 h MET 2 Ca -0.37 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.38 3kb8 h MET 2 Cb 1.15 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 3kb8 h MET 2 CO 0.48 0.10 0.35 -2.95 1.06 0.00 0.00 176.91 175.96 3kb8 h ASN 3 N 0.16 0.14 0.79 1.22 -0.00 -1.97 0.48 115.58 116.40 3kb8 h ASN 3 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.61 3kb8 h ASN 3 Cb 0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.76 3kb8 h ASN 3 CO -0.46 0.08 0.00 0.00 -0.00 0.00 0.00 177.43 177.05 3kb8 n GLN 4 N -4.43 0.14 0.02 4.14 3.00 -0.88 -1.82 117.38 117.54 3kb8 n GLN 4 Ca 0.09 0.32 0.12 0.00 -0.01 0.00 0.00 57.00 57.51 3kb8 n GLN 4 Cb 0.47 -1.74 0.23 0.00 0.00 0.00 0.00 30.24 29.20 3kb8 n GLN 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kb8 n ASP 5 N -2.00 0.54 -4.64 1.08 8.00 0.16 -4.85 116.55 114.84 3kb8 n ASP 5 Ca 0.03 -0.13 -0.39 0.00 0.71 0.00 0.00 54.79 55.01 3kb8 n ASP 5 Cb 0.25 0.24 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 3kb8 n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kb8 s ILE 6 N -3.06 5.13 0.02 0.53 -1.09 -0.75 -1.30 121.20 120.68 3kb8 s ILE 6 Ca 0.09 0.80 -0.22 0.00 -2.23 0.00 0.00 60.65 59.09 3kb8 s ILE 6 Cb 0.16 -3.78 -0.16 0.00 -1.58 0.00 0.00 42.46 37.10 3kb8 s ILE 6 CO 0.71 0.17 1.33 -0.08 -1.23 0.00 0.00 174.94 175.84 3kb8 h GLU 7 N 7.70 0.24 -2.50 2.79 4.81 -0.65 -3.46 114.58 123.52 3kb8 h GLU 7 Ca -0.33 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 3kb8 h GLU 7 Cb 1.15 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.34 3kb8 h GLU 7 CO 0.71 0.65 -0.04 0.15 -0.73 0.00 0.00 179.01 179.75 3kb8 s LYS 8 N -4.33 0.85 -0.11 1.92 -0.14 -1.22 -5.01 119.74 111.70 3kb8 s LYS 8 Ca -0.15 0.08 -0.30 0.00 -1.36 0.00 0.00 55.97 54.25 3kb8 s LYS 8 Cb 0.04 0.39 -0.01 0.00 -1.68 0.00 0.00 37.83 36.57 3kb8 s LYS 8 CO 0.73 -0.25 1.02 0.08 -0.76 0.00 0.00 175.35 176.17 3kb8 s VAL 9 N -1.16 4.75 -0.19 3.17 1.01 -1.26 -0.61 120.40 126.11 3kb8 s VAL 9 Ca -0.12 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.69 3kb8 s VAL 9 Cb -0.03 -4.30 -0.17 0.00 0.00 0.00 0.00 36.38 31.89 3kb8 s VAL 9 CO 0.07 -0.01 0.21 0.25 0.00 0.00 0.00 175.10 175.62 3kb8 h LEU 10 N 8.12 0.00 -7.50 3.92 5.85 -0.63 -3.46 115.31 121.61 3kb8 h LEU 10 Ca -0.30 -0.47 -0.60 0.00 0.84 0.00 0.00 57.88 57.35 3kb8 h LEU 10 Cb 1.14 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.78 3kb8 h LEU 10 CO 0.86 1.30 -0.77 -0.63 -0.34 0.00 0.00 178.44 178.86 3kb8 s ILE 11 N -2.31 1.34 0.92 4.05 1.01 -0.88 -5.02 121.20 120.32 3kb8 s ILE 11 Ca -0.25 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 59.01 3kb8 s ILE 11 Cb 0.04 -1.76 0.14 0.00 0.01 0.00 0.00 42.46 40.90 3kb8 s ILE 11 CO 0.53 -0.27 1.09 -0.94 0.00 0.00 0.00 174.94 175.35 3kb8 s SER 12 N 1.45 3.16 0.26 3.58 1.04 -1.26 -1.48 113.70 120.44 3kb8 s SER 12 Ca -0.01 1.69 -0.05 0.00 0.48 0.00 0.00 55.95 58.07 3kb8 s SER 12 Cb -0.18 -2.33 0.30 0.00 0.10 0.00 0.00 66.02 63.91 3kb8 s SER 12 CO -0.10 -2.87 1.86 -0.08 0.98 0.00 0.00 173.24 173.03 3kb8 h GLU 13 N -1.71 1.11 -0.51 4.02 4.81 -1.96 -0.20 114.58 120.15 3kb8 h GLU 13 Ca -0.49 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 58.59 3kb8 h GLU 13 Cb 1.28 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3kb8 h GLU 13 CO 0.51 0.84 0.31 1.49 -0.73 0.00 0.00 179.01 181.43 3kb8 h GLU 14 N 1.10 0.70 -0.59 1.92 4.81 -1.91 0.21 114.58 120.82 3kb8 h GLU 14 Ca 0.27 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3kb8 h GLU 14 Cb 0.09 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3kb8 h GLU 14 CO -0.04 0.51 0.35 1.96 -0.73 0.00 0.00 179.01 181.06 3kb8 h GLN 15 N 0.69 0.80 -0.27 1.92 4.20 -1.77 -1.90 115.11 118.78 3kb8 h GLN 15 Ca 0.18 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3kb8 h GLN 15 Cb -0.01 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3kb8 h GLN 15 CO -0.03 0.58 0.15 0.82 -0.67 0.00 0.00 178.83 179.68 3kb8 h ILE 16 N 0.79 1.12 -0.83 2.54 2.04 -0.59 -1.03 117.51 121.55 3kb8 h ILE 16 Ca 0.21 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.84 3kb8 h ILE 16 Cb -0.00 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 36.84 3kb8 h ILE 16 CO -0.04 0.12 0.49 1.56 0.00 0.00 0.00 178.15 180.28 3kb8 h GLN 17 N 0.33 0.83 -0.57 2.37 4.20 -0.30 -0.40 115.11 121.57 3kb8 h GLN 17 Ca 0.10 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3kb8 h GLN 17 Cb 0.05 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3kb8 h GLN 17 CO -0.02 0.55 0.01 0.93 -0.67 0.00 0.00 178.83 179.64 3kb8 h GLU 18 N 0.86 0.97 -0.25 1.46 5.08 -1.04 -2.36 114.58 119.31 3kb8 h GLU 18 Ca 0.38 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3kb8 h GLU 18 Cb 0.27 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kb8 h GLU 18 CO -0.21 0.95 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.32 3kb8 h LYS 19 N 0.90 0.57 -0.16 2.33 1.63 -0.33 -2.24 116.57 119.27 3kb8 h LYS 19 Ca 0.17 -0.29 -0.09 0.00 -0.85 0.00 0.00 60.65 59.59 3kb8 h LYS 19 Cb 0.51 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3kb8 h LYS 19 CO 0.02 0.88 -0.28 -0.39 -3.45 0.00 0.00 179.45 176.23 3kb8 h VAL 20 N 0.28 1.26 0.14 2.00 -1.51 -1.12 0.76 116.25 118.06 3kb8 h VAL 20 Ca 0.04 -1.23 -0.01 0.00 -1.23 0.00 0.00 66.70 64.28 3kb8 h VAL 20 Cb 0.75 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3kb8 h VAL 20 CO 0.05 0.38 -0.07 0.25 -1.23 0.00 0.00 177.57 176.95 3kb8 h LEU 21 N 0.27 -0.16 -0.16 4.19 5.85 -1.38 -0.80 115.31 123.12 3kb8 h LEU 21 Ca 0.04 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kb8 h LEU 21 Cb 0.64 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3kb8 h LEU 21 CO 0.05 -0.01 0.07 -0.08 -0.34 0.00 0.00 178.44 178.13 3kb8 h GLU 22 N -0.30 0.14 -0.64 1.25 4.81 -0.97 -2.71 114.58 116.16 3kb8 h GLU 22 Ca -0.02 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3kb8 h GLU 22 Cb 0.24 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3kb8 h GLU 22 CO 0.03 0.10 0.32 -0.07 -0.73 0.00 0.00 179.01 178.66 3kb8 h LEU 23 N 0.15 0.82 -0.93 1.64 3.38 -0.85 -2.38 115.31 117.14 3kb8 h LEU 23 Ca 0.07 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kb8 h LEU 23 Cb 0.03 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3kb8 h LEU 23 CO -0.06 0.71 0.61 1.23 0.09 0.00 0.00 178.44 181.02 3kb8 h GLY 24 N 0.88 1.31 1.34 0.83 0.00 -1.11 0.18 103.07 106.49 3kb8 h GLY 24 Ca 0.22 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 3kb8 h GLY 24 CO -0.03 0.47 -0.34 0.00 0.00 0.00 0.00 176.54 176.63 3kb8 h ALA 25 N 1.35 0.78 0.08 3.60 0.00 -1.29 0.13 119.26 123.91 3kb8 h ALA 25 Ca 0.34 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kb8 h ALA 25 Cb -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3kb8 h ALA 25 CO -0.08 0.65 -0.04 0.82 0.00 0.00 0.00 179.25 180.60 3kb8 h ILE 26 N 0.62 1.05 -0.65 0.00 2.04 -0.99 -1.69 117.51 117.89 3kb8 h ILE 26 Ca 0.06 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 3kb8 h ILE 26 Cb 0.88 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 3kb8 h ILE 26 CO 0.08 0.12 0.22 0.40 0.00 0.00 0.00 178.15 178.97 3kb8 h ILE 27 N -0.33 1.24 -0.71 -0.67 2.04 -0.60 -0.35 117.51 118.13 3kb8 h ILE 27 Ca -0.01 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3kb8 h ILE 27 Cb 0.28 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3kb8 h ILE 27 CO 0.02 0.31 0.34 0.00 0.00 0.00 0.00 178.15 178.82 3kb8 h ALA 28 N 1.29 1.26 -0.22 1.87 0.00 -0.60 -0.39 119.26 122.47 3kb8 h ALA 28 Ca 0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3kb8 h ALA 28 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kb8 h ALA 28 CO -0.01 0.57 -0.10 1.49 0.00 0.00 0.00 179.25 181.19 3kb8 h GLU 29 N 1.01 0.46 -0.00 0.00 4.57 -0.83 -2.71 114.58 117.07 3kb8 h GLU 29 Ca 0.25 -0.20 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3kb8 h GLU 29 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3kb8 h GLU 29 CO -0.03 0.74 -0.33 -0.44 -1.18 0.00 0.00 179.01 177.76 3kb8 h ASP 30 N 0.17 0.00 -0.58 1.04 3.32 -0.58 -2.95 116.42 116.85 3kb8 h ASP 30 Ca 0.05 -0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.85 3kb8 h ASP 30 Cb 0.60 -0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.99 3kb8 h ASP 30 CO 0.03 0.34 0.19 -1.22 -1.72 0.00 0.00 179.24 176.85 3kb8 n TYR 31 N -4.14 1.83 0.11 4.55 4.01 -0.20 -4.67 117.16 118.65 3kb8 n TYR 31 Ca -0.02 -1.51 0.02 0.00 -0.16 0.00 0.00 57.90 56.23 3kb8 n TYR 31 Cb 0.37 -0.62 0.38 0.00 -0.31 0.00 0.00 39.34 39.16 3kb8 n TYR 31 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3kb8 h LYS 32 N 1.38 0.26 -0.37 -0.72 3.64 -1.30 -3.03 116.57 116.42 3kb8 h LYS 32 Ca 0.31 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3kb8 h LYS 32 Cb 2.07 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 3kb8 h LYS 32 CO 0.62 0.39 0.00 0.27 -2.27 0.00 0.00 179.45 178.46 3kb8 n ASN 33 N -4.27 2.72 -3.86 4.20 6.94 -1.26 -4.95 115.26 114.77 3kb8 n ASN 33 Ca -0.01 -1.91 -0.10 0.00 -0.02 0.00 0.00 54.58 52.55 3kb8 n ASN 33 Cb 0.27 -0.24 -0.08 0.00 -2.36 0.00 0.00 39.78 37.36 3kb8 n ASN 33 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3kb8 s THR 34 N -1.52 0.12 -0.75 5.53 -1.32 -1.15 -5.09 115.64 111.46 3kb8 s THR 34 Ca 0.36 -1.00 -0.16 0.00 -1.21 0.00 0.00 61.69 59.67 3kb8 s THR 34 Cb 0.20 -1.03 0.16 0.00 -1.51 0.00 0.00 72.50 70.33 3kb8 s THR 34 CO 0.28 -0.55 0.79 0.54 -2.21 0.00 0.00 174.62 173.46 3kb8 s VAL 35 N -2.91 5.20 0.70 5.08 0.11 -1.26 -4.87 120.40 122.45 3kb8 s VAL 35 Ca -0.02 -1.83 -0.11 0.00 -2.93 0.00 0.00 61.98 57.09 3kb8 s VAL 35 Cb 0.01 -4.52 0.01 0.00 -1.53 0.00 0.00 36.38 30.35 3kb8 s VAL 35 CO -0.06 -1.12 1.06 -2.16 -3.33 0.00 0.00 175.10 169.49 3kb8 s PRO 36 N 1.43 2.88 -0.39 1.54 0.04 -1.26 -4.72 135.00 134.52 3kb8 s PRO 36 Ca 0.17 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 3kb8 s PRO 36 Cb -0.15 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.44 3kb8 s PRO 36 CO -0.04 -1.13 0.22 -1.17 0.04 0.00 0.00 177.00 174.93 3kb8 s LEU 37 N -5.55 4.82 -0.21 -3.56 2.96 -0.00 -1.43 118.68 115.71 3kb8 s LEU 37 Ca 0.58 -1.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.21 3kb8 s LEU 37 Cb -0.14 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3kb8 s LEU 37 CO 0.55 -0.42 0.54 0.00 -1.32 0.00 0.00 176.35 175.69 3kb8 s ALA 38 N 1.54 3.55 -0.07 5.97 0.00 0.49 -0.88 121.76 132.35 3kb8 s ALA 38 Ca 0.02 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3kb8 s ALA 38 Cb -0.20 -2.85 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 3kb8 s ALA 38 CO 0.06 -0.50 -0.21 0.42 0.00 0.00 0.00 175.76 175.54 3kb8 s ILE 39 N 1.76 1.76 -0.05 0.00 1.01 0.63 -1.09 121.20 125.22 3kb8 s ILE 39 Ca 0.24 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3kb8 s ILE 39 Cb -0.15 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3kb8 s ILE 39 CO 0.10 0.49 -0.08 -0.83 0.00 0.00 0.00 174.94 174.62 3kb8 s GLY 40 N 0.23 1.68 -0.38 6.18 0.00 -0.91 -0.55 107.32 113.56 3kb8 s GLY 40 Ca -0.12 -0.93 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 3kb8 s GLY 40 CO 0.05 -0.72 0.52 0.14 0.00 0.00 0.00 173.10 173.10 3kb8 s VAL 41 N -0.83 4.99 0.62 1.40 1.01 -1.24 -1.48 120.40 124.86 3kb8 s VAL 41 Ca 0.13 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 3kb8 s VAL 41 Cb -0.11 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 3kb8 s VAL 41 CO 0.02 -0.33 1.18 -0.76 0.00 0.00 0.00 175.10 175.21 3kb8 s LEU 42 N 2.43 3.58 -0.10 3.92 1.43 -0.53 -3.28 118.68 126.12 3kb8 s LEU 42 Ca 0.18 2.28 0.19 0.00 -1.03 0.00 0.00 54.13 55.75 3kb8 s LEU 42 Cb -0.15 -4.59 -0.26 0.00 0.03 0.00 0.00 46.19 41.22 3kb8 s LEU 42 CO 0.14 -1.63 0.32 0.29 0.23 0.00 0.00 176.35 175.70 3kb8 n LYS 43 N -1.84 0.67 0.30 1.70 5.02 -1.26 -4.74 118.16 118.01 3kb8 n LYS 43 Ca 0.13 -0.03 0.18 0.00 -2.02 0.00 0.00 58.31 56.56 3kb8 n LYS 43 Cb 0.50 -1.57 0.92 0.00 -0.02 0.00 0.00 35.03 34.87 3kb8 n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3kb8 h GLY 44 N 3.95 0.00 1.84 0.72 0.00 -1.74 -2.57 103.07 105.26 3kb8 h GLY 44 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3kb8 h GLY 44 CO 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.48 3kb8 n ALA 45 N -2.18 2.51 0.18 3.60 0.00 -1.21 -4.32 120.51 119.09 3kb8 n ALA 45 Ca -0.02 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.15 3kb8 n ALA 45 Cb 0.17 -1.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 3kb8 n ALA 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3kb8 h MET 46 N 0.00 -0.46 -0.35 0.00 -1.53 -1.72 0.46 114.93 111.32 3kb8 h MET 46 Ca 0.00 0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.32 3kb8 h MET 46 Cb 0.53 0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.65 3kb8 h MET 46 CO 0.00 -0.31 0.17 -1.35 0.14 0.00 0.00 176.91 175.56 3kb8 h PRO 47 N -0.48 0.33 -0.52 0.39 0.11 -1.84 -0.81 132.00 129.18 3kb8 h PRO 47 Ca -0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3kb8 h PRO 47 Cb 0.43 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3kb8 h PRO 47 CO -0.01 0.22 0.20 0.35 -0.21 0.00 0.00 178.00 178.54 3kb8 h PHE 48 N 0.34 0.81 -0.25 0.65 3.57 -1.76 -2.18 116.94 118.12 3kb8 h PHE 48 Ca 0.15 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3kb8 h PHE 48 Cb 0.08 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3kb8 h PHE 48 CO -0.11 0.68 0.17 1.98 -2.23 0.00 0.00 178.31 178.79 3kb8 h MET 49 N 0.71 0.33 -0.28 1.11 4.05 -0.48 0.45 114.93 120.82 3kb8 h MET 49 Ca 0.17 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.62 3kb8 h MET 49 Cb 0.22 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 3kb8 h MET 49 CO -0.01 0.22 -0.03 0.00 0.23 0.00 0.00 176.91 177.32 3kb8 h ALA 50 N 1.09 0.23 -0.32 0.39 0.00 -1.04 -0.08 119.26 119.53 3kb8 h ALA 50 Ca 0.09 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 3kb8 h ALA 50 Cb -0.04 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kb8 h ALA 50 CO -0.02 -0.43 -0.45 -0.44 0.00 0.00 0.00 179.25 177.90 3kb8 h ASP 51 N 0.05 0.91 -0.20 0.00 3.32 -1.06 -2.71 116.42 116.73 3kb8 h ASP 51 Ca 0.13 -0.44 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 3kb8 h ASP 51 Cb 0.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kb8 h ASP 51 CO -0.25 1.22 -0.02 0.25 -1.72 0.00 0.00 179.24 178.72 3kb8 h LEU 52 N 0.67 0.36 -1.22 1.55 5.85 -0.87 -3.10 115.31 118.54 3kb8 h LEU 52 Ca 0.04 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 3kb8 h LEU 52 Cb 1.03 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3kb8 h LEU 52 CO 0.10 0.61 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.35 3kb8 h LEU 53 N 0.10 0.00 0.00 2.25 3.38 -1.00 -1.35 115.31 118.69 3kb8 h LEU 53 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kb8 h LEU 53 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kb8 h LEU 53 CO 0.01 0.39 0.00 2.29 0.09 0.00 0.00 178.44 181.22 3kb8 n LYS 54 N -4.05 0.28 -0.12 1.13 2.85 -1.03 -1.14 118.16 116.08 3kb8 n LYS 54 Ca -0.02 0.05 0.09 0.00 -1.05 0.00 0.00 58.31 57.38 3kb8 n LYS 54 Cb 0.42 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.45 3kb8 n LYS 54 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3kb8 n ARG 55 N -1.34 2.05 -3.48 -1.58 5.12 -0.55 -4.78 116.66 112.10 3kb8 n ARG 55 Ca 0.11 -1.92 -0.43 0.00 -1.93 0.00 0.00 57.85 53.68 3kb8 n ARG 55 Cb 0.23 -1.38 -0.06 0.00 -1.16 0.00 0.00 32.46 30.08 3kb8 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3kb8 s THR 56 N -1.30 4.66 -1.30 0.55 2.01 -0.29 -3.73 115.64 116.24 3kb8 s THR 56 Ca 0.28 -2.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.10 3kb8 s THR 56 Cb 0.17 -4.00 0.12 0.00 0.01 0.00 0.00 72.50 68.80 3kb8 s THR 56 CO 0.24 -0.87 1.80 -0.67 -0.69 0.00 0.00 174.62 174.43 3kb8 n ASP 57 N 4.57 4.85 -3.54 3.53 2.03 -1.26 -4.86 116.55 121.86 3kb8 n ASP 57 Ca -0.02 -2.98 -0.14 0.00 0.52 0.00 0.00 54.79 52.17 3kb8 n ASP 57 Cb 0.42 -1.60 -0.05 0.00 -0.72 0.00 0.00 41.12 39.17 3kb8 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3kb8 s THR 58 N 2.09 0.02 0.20 5.18 -1.32 -1.26 -4.94 115.64 115.61 3kb8 s THR 58 Ca 0.45 -0.19 -0.32 0.00 -1.21 0.00 0.00 61.69 60.43 3kb8 s THR 58 Cb 0.06 -0.99 -0.11 0.00 -1.51 0.00 0.00 72.50 69.94 3kb8 s THR 58 CO 0.00 -0.10 1.64 -0.31 -2.21 0.00 0.00 174.62 173.64 3kb8 s TYR 59 N -2.63 2.97 0.19 9.09 2.02 -1.26 -4.98 117.35 122.74 3kb8 s TYR 59 Ca -0.04 0.51 -0.23 0.00 -0.37 0.00 0.00 57.07 56.94 3kb8 s TYR 59 Cb -0.00 -4.04 0.06 0.00 -0.40 0.00 0.00 41.96 37.58 3kb8 s TYR 59 CO -0.03 -3.85 0.62 -0.48 -1.57 0.00 0.00 175.55 170.24 3kb8 s LEU 60 N 1.01 -0.50 0.14 -1.29 0.05 -1.26 -4.25 118.68 112.58 3kb8 s LEU 60 Ca 0.72 -0.13 0.09 0.00 0.05 0.00 0.00 54.13 54.85 3kb8 s LEU 60 Cb -0.47 2.62 -0.04 0.00 -2.05 0.00 0.00 46.19 46.25 3kb8 s LEU 60 CO 0.33 -1.05 -0.15 -1.61 -0.55 0.00 0.00 176.35 173.32 3kb8 s GLU 61 N -3.79 1.90 0.02 1.48 2.02 -0.52 -4.98 118.70 114.83 3kb8 s GLU 61 Ca 0.03 -1.22 0.06 0.00 0.02 0.00 0.00 54.97 53.85 3kb8 s GLU 61 Cb -0.02 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 3kb8 s GLU 61 CO -0.09 0.46 -0.15 -1.64 0.02 0.00 0.00 175.26 173.86 3kb8 s MET 62 N -2.44 2.25 0.26 1.61 -1.94 -1.26 -0.38 119.30 117.40 3kb8 s MET 62 Ca 0.21 -0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 53.21 3kb8 s MET 62 Cb -0.10 -2.28 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 3kb8 s MET 62 CO 0.12 0.57 0.46 0.34 -0.01 0.00 0.00 175.02 176.50 3kb8 s ASP 63 N -1.29 0.04 -0.01 3.03 -1.08 -0.25 -4.93 116.67 112.18 3kb8 s ASP 63 Ca 0.15 -1.04 -0.07 0.00 -0.52 0.00 0.00 52.55 51.07 3kb8 s ASP 63 Cb -0.11 0.59 0.00 0.00 -1.46 0.00 0.00 42.92 41.94 3kb8 s ASP 63 CO 0.05 -1.15 0.14 -0.36 0.52 0.00 0.00 175.17 174.37 3kb8 s PHE 64 N -3.87 -0.01 0.09 -5.34 0.08 -1.26 -2.15 117.98 105.52 3kb8 s PHE 64 Ca 0.25 0.00 0.07 0.00 0.12 0.00 0.00 56.93 57.37 3kb8 s PHE 64 Cb -0.00 -0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 3kb8 s PHE 64 CO 0.11 -0.24 -0.18 -1.64 -0.10 0.00 0.00 175.22 173.16 3kb8 s MET 65 N -1.05 1.00 -0.03 0.44 -1.94 -0.55 -4.36 119.30 112.81 3kb8 s MET 65 Ca -0.11 -1.09 0.03 0.00 -1.71 0.00 0.00 55.69 52.81 3kb8 s MET 65 Cb -0.06 -1.15 0.00 0.00 2.01 0.00 0.00 34.83 35.62 3kb8 s MET 65 CO 0.01 0.26 -0.13 0.00 -0.01 0.00 0.00 175.02 175.16 3kb8 s ALA 66 N -1.25 1.17 0.17 3.03 0.00 -0.86 -1.46 121.76 122.56 3kb8 s ALA 66 Ca 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.51 3kb8 s ALA 66 Cb -0.10 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 3kb8 s ALA 66 CO 0.03 0.20 0.02 0.14 0.00 0.00 0.00 175.76 176.16 3kb8 s VAL 67 N 0.14 0.54 0.02 0.00 -7.23 -1.26 -0.22 120.40 112.39 3kb8 s VAL 67 Ca -0.04 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 3kb8 s VAL 67 Cb -0.10 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 3kb8 s VAL 67 CO 0.01 -0.44 -0.04 -0.55 -0.31 0.00 0.00 175.10 173.78 3kb8 s SER 68 N -3.16 0.37 0.33 4.85 0.15 -0.08 -4.84 113.70 111.33 3kb8 s SER 68 Ca 0.25 -0.41 -0.26 0.00 0.70 0.00 0.00 55.95 56.23 3kb8 s SER 68 Cb 0.06 0.06 -0.10 0.00 -1.71 0.00 0.00 66.02 64.34 3kb8 s SER 68 CO 0.04 -0.21 0.96 -0.55 1.20 0.00 0.00 173.24 174.68 3kb8 s SER 69 N -1.20 7.26 0.00 5.45 0.15 -1.26 0.03 113.70 124.13 3kb8 s SER 69 Ca -0.11 1.87 0.25 0.00 0.70 0.00 0.00 55.95 58.65 3kb8 s SER 69 Cb -0.08 -2.58 0.78 0.00 -1.71 0.00 0.00 66.02 62.43 3kb8 s SER 69 CO -0.00 -0.13 1.59 -1.22 1.20 0.00 0.00 173.24 174.68 3kb8 n TYR 70 N 0.47 0.10 -0.04 3.44 4.02 -1.26 -4.80 117.16 119.08 3kb8 n TYR 70 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3kb8 n TYR 70 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 3kb8 n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kb8 n GLY 71 N 1.22 -1.88 0.25 2.72 0.00 -1.26 -4.48 105.19 101.75 3kb8 n GLY 71 Ca 0.17 -2.01 0.21 0.00 0.00 0.00 0.00 46.02 44.39 3kb8 n GLY 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kb8 n HIS 72 N 0.00 0.30 0.23 1.61 -0.00 -1.26 0.14 115.22 116.24 3kb8 n HIS 72 Ca 0.00 0.30 0.10 0.00 -0.00 0.00 0.00 57.72 58.13 3kb8 n HIS 72 Cb 0.00 -0.66 0.46 0.00 -0.00 0.00 0.00 29.99 29.79 3kb8 n HIS 72 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3kb8 h SER 73 N 0.00 0.00 0.06 4.39 4.64 -1.96 -2.51 113.55 118.17 3kb8 h SER 73 Ca 0.44 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.63 3kb8 h SER 73 Cb 1.46 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.56 3kb8 h SER 73 CO -0.20 0.21 -0.54 0.74 -0.87 0.00 0.00 176.83 176.16 3kb8 h THR 74 N 0.00 1.54 -0.84 2.95 2.02 0.10 -2.44 112.91 116.24 3kb8 h THR 74 Ca -0.00 -2.29 0.20 0.00 0.77 0.00 0.00 66.41 65.09 3kb8 h THR 74 Cb 0.75 3.00 -0.12 0.00 -1.74 0.00 0.00 68.15 70.04 3kb8 h THR 74 CO 0.03 0.64 0.32 0.58 0.37 0.00 0.00 175.52 177.46 3kb8 h VAL 75 N -0.42 0.50 0.00 3.16 2.07 -1.47 -0.92 116.25 119.18 3kb8 h VAL 75 Ca -0.09 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kb8 h VAL 75 Cb 1.35 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3kb8 h VAL 75 CO 0.10 0.07 -0.87 -1.54 0.02 0.00 0.00 177.57 175.36 3kb8 n SER 76 N -5.08 0.80 0.00 0.57 3.41 -0.95 -4.68 113.62 107.69 3kb8 n SER 76 Ca 0.19 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 3kb8 n SER 76 Cb 0.57 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 3kb8 n SER 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kb8 n THR 77 N -1.54 0.00 0.00 6.66 -1.04 -0.92 -5.03 114.28 112.41 3kb8 n THR 77 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3kb8 n THR 77 Cb 0.34 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 3kb8 n THR 77 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kb8 n GLY 78 N 1.21 3.28 3.68 3.41 0.00 -0.36 -4.79 105.19 111.61 3kb8 n GLY 78 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3kb8 n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kb8 n GLU 79 N -1.44 2.33 -4.28 1.61 2.13 -1.26 -4.10 120.64 115.62 3kb8 n GLU 79 Ca 0.00 0.85 -0.15 0.00 0.66 0.00 0.00 57.16 58.51 3kb8 n GLU 79 Cb 0.00 -2.67 -0.10 0.00 0.27 0.00 0.00 31.44 28.94 3kb8 n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3kb8 s VAL 80 N 2.48 1.32 -0.03 6.31 -7.23 -1.26 -4.20 120.40 117.79 3kb8 s VAL 80 Ca 0.84 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 58.62 3kb8 s VAL 80 Cb -0.63 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 3kb8 s VAL 80 CO 0.42 -0.69 0.94 -0.75 -0.31 0.00 0.00 175.10 174.71 3kb8 s LYS 81 N -3.73 4.52 -0.30 4.82 2.20 0.10 -4.87 119.74 122.49 3kb8 s LYS 81 Ca 0.19 1.32 -0.26 0.00 -0.36 0.00 0.00 55.97 56.86 3kb8 s LYS 81 Cb 0.02 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 3kb8 s LYS 81 CO 0.03 -0.07 0.90 0.42 -0.36 0.00 0.00 175.35 176.27 3kb8 s ILE 82 N 1.12 4.70 -0.15 5.43 -1.09 -1.26 -0.90 121.20 129.05 3kb8 s ILE 82 Ca 0.49 1.47 0.10 0.00 -2.23 0.00 0.00 60.65 60.48 3kb8 s ILE 82 Cb -0.20 -4.24 -0.23 0.00 -1.58 0.00 0.00 42.46 36.21 3kb8 s ILE 82 CO 0.25 -0.30 0.25 0.18 -1.23 0.00 0.00 174.94 174.09 3kb8 n LEU 83 N 6.40 1.15 -3.65 2.97 4.77 0.70 -4.85 117.00 124.49 3kb8 n LEU 83 Ca 0.07 0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 55.94 3kb8 n LEU 83 Cb 0.48 -0.07 -0.17 0.00 -2.33 0.00 0.00 43.42 41.32 3kb8 n LEU 83 CO 0.53 0.59 -0.34 -0.75 -1.33 0.00 0.00 177.39 176.09 3kb8 s LYS 84 N -2.54 0.15 0.63 3.23 2.47 -0.73 -4.94 119.74 118.01 3kb8 s LYS 84 Ca -0.14 -0.04 -0.02 0.00 -1.56 0.00 0.00 55.97 54.20 3kb8 s LYS 84 Cb 0.07 -1.61 0.05 0.00 -1.46 0.00 0.00 37.83 34.89 3kb8 s LYS 84 CO 0.78 -0.59 0.89 0.34 0.16 0.00 0.00 175.35 176.93 3kb8 s ASP 85 N 2.10 5.00 0.66 1.43 -1.08 -1.26 -2.02 116.67 121.49 3kb8 s ASP 85 Ca 0.02 0.13 -0.17 0.00 -0.52 0.00 0.00 52.55 52.01 3kb8 s ASP 85 Cb -0.15 -0.87 -0.00 0.00 -1.46 0.00 0.00 42.92 40.44 3kb8 s ASP 85 CO -0.08 -1.39 1.23 -0.76 0.52 0.00 0.00 175.17 174.69 3kb8 s LEU 86 N -4.98 3.51 0.00 -1.34 1.43 -1.26 -4.84 118.68 111.19 3kb8 s LEU 86 Ca 0.59 2.43 0.29 0.00 -1.03 0.00 0.00 54.13 56.41 3kb8 s LEU 86 Cb -0.10 -4.60 1.19 0.00 0.03 0.00 0.00 46.19 42.72 3kb8 s LEU 86 CO 0.41 -1.95 1.86 0.47 0.23 0.00 0.00 176.35 177.38 3kb8 n ASP 87 N -2.11 0.26 -4.17 2.29 8.00 -1.26 -4.84 116.55 114.72 3kb8 n ASP 87 Ca 0.14 -0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 3kb8 n ASP 87 Cb 0.49 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.32 3kb8 n ASP 87 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kb8 s THR 88 N -2.70 0.45 0.48 -3.53 -1.32 -1.26 -5.14 115.64 102.62 3kb8 s THR 88 Ca 0.23 -1.92 -0.20 0.00 -1.21 0.00 0.00 61.69 58.59 3kb8 s THR 88 Cb 0.19 -1.88 -0.09 0.00 -1.51 0.00 0.00 72.50 69.22 3kb8 s THR 88 CO 0.52 -0.67 1.01 -0.94 -2.21 0.00 0.00 174.62 172.33 3kb8 s SER 89 N -3.06 6.45 0.15 8.08 1.04 -1.26 -4.98 113.70 120.12 3kb8 s SER 89 Ca 0.18 1.83 0.16 0.00 0.48 0.00 0.00 55.95 58.60 3kb8 s SER 89 Cb 0.07 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.58 3kb8 s SER 89 CO -0.01 -0.70 1.07 0.58 0.98 0.00 0.00 173.24 175.16 3kb8 h VAL 90 N 1.49 0.63 -1.88 5.02 2.07 -1.96 -3.46 116.25 118.17 3kb8 h VAL 90 Ca -0.49 -2.05 -0.66 0.00 0.82 0.00 0.00 66.70 64.33 3kb8 h VAL 90 Cb 1.21 2.16 0.03 0.00 -1.52 0.00 0.00 31.29 33.17 3kb8 h VAL 90 CO 0.59 0.36 0.89 1.21 0.02 0.00 0.00 177.57 180.64 3kb8 n GLU 91 N -3.01 1.71 -0.94 1.57 2.13 -1.15 -1.37 120.64 119.58 3kb8 n GLU 91 Ca -0.05 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3kb8 n GLU 91 Cb 0.79 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 30.12 3kb8 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kb8 n GLY 92 N 3.87 0.59 3.91 8.31 0.00 -0.27 -4.92 105.19 116.67 3kb8 n GLY 92 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3kb8 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kb8 s ARG 93 N -0.34 3.60 -0.42 1.61 1.81 -0.47 -4.30 118.95 120.44 3kb8 s ARG 93 Ca 0.00 -0.12 -0.21 0.00 -1.72 0.00 0.00 55.73 53.69 3kb8 s ARG 93 Cb 0.00 -2.77 0.02 0.00 -0.45 0.00 0.00 34.95 31.75 3kb8 s ARG 93 CO 0.00 0.35 0.64 -0.51 -0.68 0.00 0.00 175.30 175.10 3kb8 s ASP 94 N -2.91 6.35 -0.16 0.23 1.01 -1.26 0.16 116.67 120.08 3kb8 s ASP 94 Ca 0.42 -0.22 -0.13 0.00 0.71 0.00 0.00 52.55 53.33 3kb8 s ASP 94 Cb -0.11 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 3kb8 s ASP 94 CO 0.28 -0.73 0.27 -0.63 0.21 0.00 0.00 175.17 174.56 3kb8 s ILE 95 N 2.79 5.32 -0.25 0.77 -1.09 0.43 -0.82 121.20 128.34 3kb8 s ILE 95 Ca 0.23 0.50 0.02 0.00 -2.23 0.00 0.00 60.65 59.17 3kb8 s ILE 95 Cb -0.14 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 37.18 3kb8 s ILE 95 CO 0.18 0.41 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.97 3kb8 s LEU 96 N 0.38 3.33 -0.15 2.97 2.96 -0.06 -0.98 118.68 127.12 3kb8 s LEU 96 Ca 0.15 -1.26 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 3kb8 s LEU 96 Cb -0.13 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3kb8 s LEU 96 CO 0.03 -0.17 0.54 -0.63 -1.32 0.00 0.00 176.35 174.80 3kb8 s ILE 97 N 1.16 5.12 -0.19 6.68 1.01 0.37 -0.27 121.20 135.07 3kb8 s ILE 97 Ca -0.06 1.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.56 3kb8 s ILE 97 Cb -0.19 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3kb8 s ILE 97 CO -0.05 0.23 0.04 -0.69 0.00 0.00 0.00 174.94 174.47 3kb8 s VAL 98 N 1.19 4.39 0.18 2.92 1.01 0.28 -0.64 120.40 129.74 3kb8 s VAL 98 Ca 0.27 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.13 3kb8 s VAL 98 Cb -0.16 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3kb8 s VAL 98 CO 0.11 0.43 -0.08 -0.70 0.00 0.00 0.00 175.10 174.86 3kb8 s GLU 99 N 0.74 1.16 -0.18 2.72 2.56 0.34 -3.65 118.70 122.39 3kb8 s GLU 99 Ca 0.02 -1.53 -0.20 0.00 0.00 0.00 0.00 54.97 53.26 3kb8 s GLU 99 Cb -0.14 -0.67 -0.21 0.00 2.00 0.00 0.00 34.13 35.11 3kb8 s GLU 99 CO 0.02 0.04 0.32 0.38 -0.56 0.00 0.00 175.26 175.46 3kb8 h ASP 100 N 2.67 0.08 -4.22 -1.70 3.04 -1.86 -2.20 116.42 112.23 3kb8 h ASP 100 Ca -0.37 -0.63 -0.12 0.00 -3.24 0.00 0.00 57.03 52.66 3kb8 h ASP 100 Cb 1.20 -0.03 -0.23 0.00 -1.04 0.00 0.00 39.33 39.24 3kb8 h ASP 100 CO 0.64 1.49 -0.24 -0.51 -2.04 0.00 0.00 179.24 178.57 3kb8 s ILE 101 N -2.38 0.02 -0.11 4.15 2.07 -1.26 -1.35 121.20 122.34 3kb8 s ILE 101 Ca -0.26 -0.13 0.04 0.00 -1.41 0.00 0.00 60.65 58.89 3kb8 s ILE 101 Cb 0.05 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.06 3kb8 s ILE 101 CO 0.64 -0.07 -0.24 -0.63 -1.91 0.00 0.00 174.94 172.73 3kb8 s ILE 102 N -0.25 2.06 0.00 2.00 1.01 -0.84 -4.99 121.20 120.19 3kb8 s ILE 102 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3kb8 s ILE 102 Cb -0.03 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.65 3kb8 s ILE 102 CO 0.02 0.56 0.00 -0.67 0.00 0.00 0.00 174.94 174.85 3kb8 n ASP 103 N 3.64 0.00 -0.01 3.58 -0.08 -1.26 -0.97 116.55 121.44 3kb8 n ASP 103 Ca -0.19 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.03 3kb8 n ASP 103 Cb 0.53 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.12 3kb8 n ASP 103 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3kb8 h SER 104 N 0.00 0.59 0.00 1.67 4.64 -1.87 -2.88 113.55 115.70 3kb8 h SER 104 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3kb8 h SER 104 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3kb8 h SER 104 CO 0.00 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 3kb8 n GLY 105 N -0.16 1.66 0.34 -0.77 0.00 -1.26 -0.92 105.19 104.08 3kb8 n GLY 105 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 3kb8 n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kb8 h LEU 106 N 0.00 -0.95 -0.46 0.99 3.38 -1.92 0.31 115.31 116.66 3kb8 h LEU 106 Ca 0.00 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kb8 h LEU 106 Cb 0.00 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3kb8 h LEU 106 CO 0.00 -0.41 0.16 0.74 0.09 0.00 0.00 178.44 179.02 3kb8 h THR 107 N -0.54 1.22 -0.51 0.22 2.02 -1.87 -1.57 112.91 111.88 3kb8 h THR 107 Ca 0.04 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 3kb8 h THR 107 Cb 0.58 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3kb8 h THR 107 CO -0.21 0.26 0.07 0.25 0.37 0.00 0.00 175.52 176.26 3kb8 h LEU 108 N 0.61 0.76 -0.55 2.58 5.85 -1.84 -1.48 115.31 121.23 3kb8 h LEU 108 Ca 0.15 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3kb8 h LEU 108 Cb 0.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3kb8 h LEU 108 CO -0.01 0.78 0.22 -1.28 -0.34 0.00 0.00 178.44 177.81 3kb8 h SER 109 N 0.77 0.76 -0.80 1.25 0.87 -0.64 0.79 113.55 116.55 3kb8 h SER 109 Ca 0.16 -0.17 0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3kb8 h SER 109 Cb 0.36 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.06 3kb8 h SER 109 CO 0.01 0.72 0.46 0.22 -0.53 0.00 0.00 176.83 177.71 3kb8 h TYR 110 N 0.75 0.84 -0.26 2.24 3.20 -0.60 -1.12 116.97 122.02 3kb8 h TYR 110 Ca 0.18 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.92 3kb8 h TYR 110 Cb 0.20 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3kb8 h TYR 110 CO 0.01 0.37 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.35 3kb8 h LEU 111 N 0.80 0.87 0.03 2.82 3.38 -0.62 -0.36 115.31 122.23 3kb8 h LEU 111 Ca 0.37 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3kb8 h LEU 111 Cb 0.29 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3kb8 h LEU 111 CO -0.22 1.24 -0.16 0.58 0.09 0.00 0.00 178.44 179.97 3kb8 h VAL 112 N 0.53 0.62 0.00 1.22 2.07 -0.45 -1.12 116.25 119.12 3kb8 h VAL 112 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 3kb8 h VAL 112 Cb 1.09 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3kb8 h VAL 112 CO 0.11 0.00 -0.25 0.44 0.02 0.00 0.00 177.57 177.89 3kb8 h ASP 113 N -0.28 0.00 -0.38 0.57 3.32 -1.20 -1.27 116.42 117.18 3kb8 h ASP 113 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3kb8 h ASP 113 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3kb8 h ASP 113 CO -0.13 0.25 0.20 0.25 -1.72 0.00 0.00 179.24 178.09 3kb8 h LEU 114 N 0.00 0.48 -1.05 1.55 5.85 -0.63 0.35 115.31 121.85 3kb8 h LEU 114 Ca -0.00 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 3kb8 h LEU 114 Cb 0.76 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3kb8 h LEU 114 CO 0.03 0.44 -0.24 -0.26 -0.34 0.00 0.00 178.44 178.07 3kb8 h PHE 115 N 0.48 0.43 -0.29 1.25 0.04 -0.40 0.52 116.94 118.97 3kb8 h PHE 115 Ca 0.13 -0.08 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 3kb8 h PHE 115 Cb 0.07 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3kb8 h PHE 115 CO -0.02 0.60 -0.22 0.87 -0.60 0.00 0.00 178.31 178.94 3kb8 h LYS 116 N 0.35 0.66 -0.91 1.51 1.57 -1.14 -1.81 116.57 116.80 3kb8 h LYS 116 Ca 0.05 -0.32 0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3kb8 h LYS 116 Cb 0.61 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 3kb8 h LYS 116 CO 0.04 0.92 0.58 -0.92 -0.57 0.00 0.00 179.45 179.51 3kb8 h TYR 117 N 0.40 0.99 0.00 -1.35 3.20 -0.51 0.13 116.97 119.82 3kb8 h TYR 117 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3kb8 h TYR 117 Cb 0.77 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3kb8 h TYR 117 CO 0.07 0.46 0.00 0.54 -1.64 0.00 0.00 178.16 177.59 3kb8 n ARG 118 N -4.53 0.83 -2.91 1.82 1.74 0.14 -4.87 116.66 108.88 3kb8 n ARG 118 Ca 0.15 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.05 3kb8 n ARG 118 Cb 0.30 -1.10 0.03 0.00 -1.02 0.00 0.00 32.46 30.66 3kb8 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kb8 n LYS 119 N -0.35 -4.19 -1.63 5.56 5.02 0.44 -2.92 118.16 120.10 3kb8 n LYS 119 Ca 0.00 0.75 -0.38 0.00 -2.02 0.00 0.00 58.31 56.66 3kb8 n LYS 119 Cb 0.05 -5.29 0.05 0.00 -0.02 0.00 0.00 35.03 29.83 3kb8 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kb8 n ALA 120 N -3.31 0.30 -0.02 7.82 0.00 -0.72 -1.12 120.51 123.46 3kb8 n ALA 120 Ca -0.09 0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 3kb8 n ALA 120 Cb 0.60 -2.13 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 3kb8 n ALA 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kb8 h LYS 121 N 0.57 0.69 -2.18 0.00 3.64 -0.47 -3.44 116.57 115.38 3kb8 h LYS 121 Ca -0.49 -0.48 -0.07 0.00 -1.27 0.00 0.00 60.65 58.35 3kb8 h LYS 121 Cb 1.36 0.07 -0.19 0.00 -0.41 0.00 0.00 32.23 33.06 3kb8 h LYS 121 CO 0.51 1.10 0.10 -1.54 -2.27 0.00 0.00 179.45 177.36 3kb8 s SER 122 N -6.98 -0.59 -0.10 4.20 1.04 -1.14 -4.97 113.70 105.16 3kb8 s SER 122 Ca -0.09 0.67 0.01 0.00 0.48 0.00 0.00 55.95 57.02 3kb8 s SER 122 Cb 0.10 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.82 3kb8 s SER 122 CO 0.87 -0.55 -0.11 -0.69 0.98 0.00 0.00 173.24 173.74 3kb8 s VAL 123 N -1.07 1.20 0.22 5.02 1.01 -1.26 -0.43 120.40 125.09 3kb8 s VAL 123 Ca -0.10 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3kb8 s VAL 123 Cb -0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3kb8 s VAL 123 CO 0.08 0.39 -0.12 -0.54 0.00 0.00 0.00 175.10 174.91 3kb8 s LYS 124 N 1.26 1.36 -0.04 2.72 1.02 -0.15 -4.99 119.74 120.92 3kb8 s LYS 124 Ca -0.03 -1.62 0.04 0.00 0.02 0.00 0.00 55.97 54.38 3kb8 s LYS 124 Cb -0.14 -1.09 -0.00 0.00 -0.52 0.00 0.00 37.83 36.07 3kb8 s LYS 124 CO -0.04 0.15 -0.16 0.42 -0.92 0.00 0.00 175.35 174.80 3kb8 s ILE 125 N -3.00 1.29 -0.15 2.17 1.01 -1.26 -0.48 121.20 120.78 3kb8 s ILE 125 Ca 0.24 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3kb8 s ILE 125 Cb 0.00 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.38 3kb8 s ILE 125 CO 0.07 0.38 -0.18 0.54 0.00 0.00 0.00 174.94 175.75 3kb8 s VAL 126 N 0.02 1.79 0.02 2.92 0.11 0.19 -1.56 120.40 123.88 3kb8 s VAL 126 Ca -0.03 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.31 3kb8 s VAL 126 Cb -0.10 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3kb8 s VAL 126 CO 0.02 0.50 -0.21 0.28 -3.33 0.00 0.00 175.10 172.35 3kb8 s THR 127 N 1.18 1.67 0.07 5.04 -1.32 -0.24 -0.50 115.64 121.54 3kb8 s THR 127 Ca -0.00 -1.06 -0.21 0.00 -1.21 0.00 0.00 61.69 59.21 3kb8 s THR 127 Cb -0.14 -1.42 -0.11 0.00 -1.51 0.00 0.00 72.50 69.32 3kb8 s THR 127 CO -0.07 0.33 1.54 0.25 -2.21 0.00 0.00 174.62 174.46 3kb8 h LEU 128 N 5.22 0.26 -8.57 9.08 5.85 -1.42 -0.27 115.31 125.46 3kb8 h LEU 128 Ca -0.41 -0.26 -0.63 0.00 0.84 0.00 0.00 57.88 57.42 3kb8 h LEU 128 Cb 1.15 -0.07 -0.27 0.00 0.37 0.00 0.00 40.66 41.84 3kb8 h LEU 128 CO 0.46 0.45 -0.86 -0.76 -0.34 0.00 0.00 178.44 177.39 3kb8 s LEU 129 N -9.63 2.12 -0.02 2.25 1.43 -0.46 -0.11 118.68 114.26 3kb8 s LEU 129 Ca -0.14 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 3kb8 s LEU 129 Cb 0.06 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.17 3kb8 s LEU 129 CO 0.71 0.23 -0.09 -0.62 0.23 0.00 0.00 176.35 176.81 3kb8 s ASP 130 N -0.96 1.15 -0.64 2.29 2.15 -0.30 -1.99 116.67 118.38 3kb8 s ASP 130 Ca 0.09 -0.18 0.06 0.00 0.43 0.00 0.00 52.55 52.95 3kb8 s ASP 130 Cb -0.09 -0.30 0.22 0.00 -0.30 0.00 0.00 42.92 42.45 3kb8 s ASP 130 CO 0.01 0.06 0.63 0.29 -0.17 0.00 0.00 175.17 175.99 3kb8 n LYS 131 N 3.28 2.10 0.13 4.34 5.02 -0.15 -1.17 118.16 131.71 3kb8 n LYS 131 Ca -0.18 -4.48 0.11 0.00 -2.02 0.00 0.00 58.31 51.74 3kb8 n LYS 131 Cb 0.54 -2.19 0.49 0.00 -0.02 0.00 0.00 35.03 33.85 3kb8 n LYS 131 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kb8 n PRO 132 N 1.34 0.16 0.00 1.97 -0.04 -1.26 -1.42 135.00 135.75 3kb8 n PRO 132 Ca 0.26 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 3kb8 n PRO 132 Cb 0.40 -1.86 0.46 0.00 -0.04 0.00 0.00 33.50 32.46 3kb8 n PRO 132 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kb8 n THR 133 N -2.18 0.00 1.60 0.52 -2.24 -1.26 -3.25 114.28 107.48 3kb8 n THR 133 Ca 0.01 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 3kb8 n THR 133 Cb 0.18 0.34 0.57 0.00 -2.10 0.00 0.00 70.33 69.32 3kb8 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kb8 n GLY 134 N 1.28 -0.28 3.75 3.38 0.00 -0.51 -4.98 105.19 107.82 3kb8 n GLY 134 Ca 0.15 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3kb8 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb8 n ARG 135 N -0.18 2.63 -0.03 1.61 5.12 -1.09 -3.74 116.66 120.99 3kb8 n ARG 135 Ca 0.18 0.93 0.06 0.00 -1.93 0.00 0.00 57.85 57.09 3kb8 n ARG 135 Cb 0.25 -2.69 0.06 0.00 -1.16 0.00 0.00 32.46 28.93 3kb8 n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3kb8 n LYS 136 N 1.66 0.93 -3.61 5.56 5.02 -0.10 -4.96 118.16 122.66 3kb8 n LYS 136 Ca 0.07 -1.32 -0.13 0.00 -2.02 0.00 0.00 58.31 54.91 3kb8 n LYS 136 Cb 0.37 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 3kb8 n LYS 136 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kb8 s VAL 137 N -0.98 0.04 -0.06 -0.18 0.11 -1.23 -4.96 120.40 113.14 3kb8 s VAL 137 Ca 0.15 -0.36 -0.30 0.00 -2.93 0.00 0.00 61.98 58.54 3kb8 s VAL 137 Cb 0.10 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3kb8 s VAL 137 CO 0.15 -0.20 1.08 -0.62 -3.33 0.00 0.00 175.10 172.18 3kb8 s ASP 138 N -2.14 7.18 -0.29 3.54 2.15 -1.26 -4.91 116.67 120.94 3kb8 s ASP 138 Ca -0.04 1.68 -0.00 0.00 0.43 0.00 0.00 52.55 54.62 3kb8 s ASP 138 Cb -0.00 -2.56 0.19 0.00 -0.30 0.00 0.00 42.92 40.25 3kb8 s ASP 138 CO -0.04 -0.47 0.71 -0.22 -0.17 0.00 0.00 175.17 174.98 3kb8 s LEU 139 N 1.88 -1.27 -0.24 -1.34 2.96 -1.26 -5.04 118.68 114.38 3kb8 s LEU 139 Ca 0.52 0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 54.65 3kb8 s LEU 139 Cb -0.22 1.89 -0.04 0.00 0.50 0.00 0.00 46.19 48.32 3kb8 s LEU 139 CO 0.21 -0.23 0.32 -0.54 -1.32 0.00 0.00 176.35 174.79 3kb8 s LYS 140 N 2.87 4.09 0.29 1.98 -0.14 -1.26 -5.07 119.74 122.50 3kb8 s LYS 140 Ca 0.15 0.01 -0.29 0.00 -1.36 0.00 0.00 55.97 54.48 3kb8 s LYS 140 Cb -0.10 -3.58 -0.09 0.00 -1.68 0.00 0.00 37.83 32.38 3kb8 s LYS 140 CO -0.23 -0.09 1.07 0.00 -0.76 0.00 0.00 175.35 175.34 3kb8 s ALA 141 N 1.50 3.36 0.30 5.17 0.00 -1.26 -4.91 121.76 125.91 3kb8 s ALA 141 Ca 0.14 0.84 0.12 0.00 0.00 0.00 0.00 51.96 53.07 3kb8 s ALA 141 Cb -0.15 -3.31 0.53 0.00 0.00 0.00 0.00 23.12 20.20 3kb8 s ALA 141 CO 0.08 -0.12 1.71 -0.44 0.00 0.00 0.00 175.76 176.98 3kb8 h ASP 142 N 3.70 0.00 -3.73 0.00 3.32 -1.67 -3.43 116.42 114.61 3kb8 h ASP 142 Ca -0.47 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.36 3kb8 h ASP 142 Cb 1.21 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.48 3kb8 h ASP 142 CO 0.66 0.50 -0.66 -0.31 -1.72 0.00 0.00 179.24 177.72 3kb8 s TYR 143 N -3.82 -0.06 -0.01 4.55 2.02 -0.61 -5.01 117.35 114.42 3kb8 s TYR 143 Ca -0.02 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 3kb8 s TYR 143 Cb 0.13 0.00 0.01 0.00 -0.40 0.00 0.00 41.96 41.70 3kb8 s TYR 143 CO 0.74 -0.04 0.00 0.08 -1.57 0.00 0.00 175.55 174.77 3kb8 s VAL 144 N 0.12 0.03 -0.03 0.71 1.01 -1.26 -1.08 120.40 119.90 3kb8 s VAL 144 Ca -0.01 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3kb8 s VAL 144 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 3kb8 s VAL 144 CO -0.00 0.04 0.34 1.23 0.00 0.00 0.00 175.10 176.71 3kb8 h GLY 145 N 6.51 -0.19 -5.47 4.51 0.00 -0.57 -3.48 103.07 104.37 3kb8 h GLY 145 Ca -0.31 0.07 -0.27 0.00 0.00 0.00 0.00 47.33 46.82 3kb8 h GLY 145 CO 0.50 -0.07 -0.73 -1.36 0.00 0.00 0.00 176.54 174.87 3kb8 s PHE 146 N -2.14 0.19 -0.20 5.60 0.08 0.85 -5.00 117.98 117.36 3kb8 s PHE 146 Ca -0.03 -0.04 -0.23 0.00 0.12 0.00 0.00 56.93 56.76 3kb8 s PHE 146 Cb 0.00 -0.12 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 3kb8 s PHE 146 CO 0.08 -0.00 0.71 0.99 -0.10 0.00 0.00 175.22 176.90 3kb8 s THR 147 N -0.05 4.95 -0.14 0.64 2.01 -1.26 -1.14 115.64 120.64 3kb8 s THR 147 Ca 0.01 1.36 -0.09 0.00 0.31 0.00 0.00 61.69 63.28 3kb8 s THR 147 Cb -0.01 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 3kb8 s THR 147 CO -0.00 0.05 0.17 -0.69 -0.69 0.00 0.00 174.62 173.46 3kb8 s VAL 148 N 2.18 5.43 0.00 3.82 1.01 -0.32 -4.91 120.40 127.60 3kb8 s VAL 148 Ca 0.32 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3kb8 s VAL 148 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3kb8 s VAL 148 CO 0.10 0.54 0.00 -0.81 0.00 0.00 0.00 175.10 174.93 3kb8 n PRO 149 N 2.61 3.46 -2.70 2.72 -0.04 -1.26 -4.60 135.00 135.19 3kb8 n PRO 149 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 3kb8 n PRO 149 Cb 0.54 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3kb8 n PRO 149 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3kb8 s HIS 150 N 1.12 3.00 -0.25 0.54 3.76 -1.26 -4.91 115.29 117.30 3kb8 s HIS 150 Ca 0.00 -1.75 -0.19 0.00 -0.15 0.00 0.00 55.06 52.97 3kb8 s HIS 150 Cb 0.00 -4.61 0.07 0.00 1.11 0.00 0.00 32.58 29.15 3kb8 s HIS 150 CO 0.00 -1.68 0.63 -1.21 -0.85 0.00 0.00 174.74 171.63 3kb8 s GLU 151 N 3.41 0.69 -0.29 1.40 2.02 -1.26 -5.12 118.70 119.55 3kb8 s GLU 151 Ca 0.50 0.99 -0.25 0.00 0.02 0.00 0.00 54.97 56.22 3kb8 s GLU 151 Cb 0.02 0.25 0.00 0.00 0.10 0.00 0.00 34.13 34.50 3kb8 s GLU 151 CO 0.04 -0.12 0.87 0.12 0.02 0.00 0.00 175.26 176.20 3kb8 s PHE 152 N 0.88 3.23 0.25 1.61 5.36 -1.26 -5.02 117.98 123.03 3kb8 s PHE 152 Ca -0.04 1.02 0.09 0.00 -0.96 0.00 0.00 56.93 57.04 3kb8 s PHE 152 Cb -0.05 -3.27 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 3kb8 s PHE 152 CO -0.07 -0.55 -0.01 0.14 -1.46 0.00 0.00 175.22 173.26 3kb8 s VAL 153 N 3.08 3.46 0.22 3.12 -7.23 -1.26 -2.74 120.40 119.05 3kb8 s VAL 153 Ca 0.36 -1.83 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3kb8 s VAL 153 Cb -0.14 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 3kb8 s VAL 153 CO 0.11 -0.32 0.22 0.68 -0.31 0.00 0.00 175.10 175.48 3kb8 s VAL 154 N -2.19 0.00 0.00 1.32 -7.23 0.01 -4.75 120.40 107.55 3kb8 s VAL 154 Ca 0.30 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3kb8 s VAL 154 Cb -0.07 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3kb8 s VAL 154 CO 0.19 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 3kb8 n GLY 155 N -0.31 2.29 3.76 2.32 0.00 0.57 -0.52 105.19 113.31 3kb8 n GLY 155 Ca 0.01 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 3kb8 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kb8 n TYR 156 N 1.79 -1.91 0.00 1.61 9.36 -0.30 -2.03 117.16 125.69 3kb8 n TYR 156 Ca 0.00 0.83 0.00 0.00 3.32 0.00 0.00 57.90 62.05 3kb8 n TYR 156 Cb 0.00 -4.25 0.00 0.00 -0.63 0.00 0.00 39.34 34.46 3kb8 n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kb8 n GLY 157 N -1.65 2.85 3.73 2.98 0.00 -0.11 -4.51 105.19 108.49 3kb8 n GLY 157 Ca -0.27 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3kb8 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kb8 s LEU 158 N 0.00 4.44 0.41 0.99 1.43 -0.86 -4.26 118.68 120.83 3kb8 s LEU 158 Ca 0.00 2.07 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 3kb8 s LEU 158 Cb 0.00 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 3kb8 s LEU 158 CO 0.00 -0.33 0.13 1.51 0.23 0.00 0.00 176.35 177.89 3kb8 s ASP 159 N 0.36 4.29 -0.17 2.29 -4.77 -1.26 -0.31 116.67 117.09 3kb8 s ASP 159 Ca 0.53 -1.14 -0.03 0.00 -3.30 0.00 0.00 52.55 48.61 3kb8 s ASP 159 Cb -0.30 -0.46 0.05 0.00 -1.09 0.00 0.00 42.92 41.12 3kb8 s ASP 159 CO 0.33 -0.51 0.04 -0.47 0.70 0.00 0.00 175.17 175.26 3kb8 s TYR 160 N -2.62 0.83 -1.45 2.11 5.04 -0.72 -4.85 117.35 115.69 3kb8 s TYR 160 Ca 0.39 -0.64 -0.08 0.00 -2.44 0.00 0.00 57.07 54.31 3kb8 s TYR 160 Cb 0.05 -0.93 0.05 0.00 0.35 0.00 0.00 41.96 41.48 3kb8 s TYR 160 CO 0.21 -0.54 0.80 1.63 -1.34 0.00 0.00 175.55 176.31 3kb8 n LYS 161 N 5.10 -4.87 -0.54 4.97 4.76 -1.26 -1.73 118.16 124.60 3kb8 n LYS 161 Ca -0.08 0.57 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 3kb8 n LYS 161 Cb 0.48 -5.23 0.00 0.00 -1.84 0.00 0.00 35.03 28.44 3kb8 n LYS 161 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3kb8 n GLU 162 N -4.49 0.00 -3.18 1.97 -0.58 -1.26 -5.00 120.64 108.11 3kb8 n GLU 162 Ca -0.12 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.42 3kb8 n GLU 162 Cb 0.60 -3.06 0.01 0.00 -0.57 0.00 0.00 31.44 28.41 3kb8 n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3kb8 s GLN 163 N -0.28 2.99 0.00 3.49 -1.52 -0.70 -4.59 119.66 119.05 3kb8 s GLN 163 Ca 0.00 -0.91 0.00 0.00 -1.95 0.00 0.00 55.36 52.50 3kb8 s GLN 163 Cb 0.00 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.08 3kb8 s GLN 163 CO 0.00 -0.16 0.00 0.66 -0.25 0.00 0.00 175.29 175.54 3kb8 n TYR 164 N -1.86 0.00 0.23 0.91 4.01 -1.26 -1.76 117.16 117.43 3kb8 n TYR 164 Ca 0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.89 3kb8 n TYR 164 Cb 0.58 -0.19 0.73 0.00 -0.31 0.00 0.00 39.34 40.16 3kb8 n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kb8 h ARG 165 N 2.10 0.00 -0.00 -0.72 3.08 -1.81 -2.48 114.38 114.55 3kb8 h ARG 165 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kb8 h ARG 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kb8 h ARG 165 CO 0.00 0.00 -0.05 0.27 -1.07 0.00 0.00 179.97 179.12 3kb8 n ASN 166 N -4.27 0.35 -4.78 7.04 6.94 -1.26 -0.93 115.26 118.35 3kb8 n ASN 166 Ca -0.01 -0.68 -0.41 0.00 -0.02 0.00 0.00 54.58 53.46 3kb8 n ASN 166 Cb 0.18 -0.09 -0.00 0.00 -2.36 0.00 0.00 39.78 37.50 3kb8 n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kb8 s LEU 167 N -2.33 4.33 -0.01 -4.53 1.43 -0.95 -4.81 118.68 111.82 3kb8 s LEU 167 Ca 0.35 3.01 0.05 0.00 -1.03 0.00 0.00 54.13 56.50 3kb8 s LEU 167 Cb 0.21 -3.66 0.16 0.00 0.03 0.00 0.00 46.19 42.92 3kb8 s LEU 167 CO 0.43 -0.84 1.08 -0.81 0.23 0.00 0.00 176.35 176.44 3kb8 n PRO 168 N 0.57 1.47 -4.14 1.29 -0.04 -1.26 -1.15 135.00 131.75 3kb8 n PRO 168 Ca 0.01 -0.63 -0.13 0.00 -0.04 0.00 0.00 63.50 62.71 3kb8 n PRO 168 Cb 0.39 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 3kb8 n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3kb8 s TYR 169 N -1.72 1.01 -0.23 0.54 -0.85 -1.26 -3.99 117.35 110.85 3kb8 s TYR 169 Ca 0.12 -1.23 -0.09 0.00 -0.52 0.00 0.00 57.07 55.35 3kb8 s TYR 169 Cb 0.06 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 3kb8 s TYR 169 CO 0.07 -0.86 0.11 0.08 -1.52 0.00 0.00 175.55 173.43 3kb8 s VAL 170 N -3.82 4.83 0.25 -3.49 1.01 -0.55 -3.35 120.40 115.27 3kb8 s VAL 170 Ca 0.33 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.41 3kb8 s VAL 170 Cb 0.03 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3kb8 s VAL 170 CO 0.15 0.36 -0.18 -0.83 0.00 0.00 0.00 175.10 174.60 3kb8 s GLY 171 N 1.15 1.69 -0.25 4.51 0.00 0.32 0.13 107.32 114.87 3kb8 s GLY 171 Ca 0.05 -1.78 -0.16 0.00 0.00 0.00 0.00 44.72 42.83 3kb8 s GLY 171 CO 0.04 -1.87 0.44 0.14 0.00 0.00 0.00 173.10 171.85 3kb8 s VAL 172 N -2.69 5.14 0.16 1.40 1.01 0.22 -0.81 120.40 124.83 3kb8 s VAL 172 Ca 0.27 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 3kb8 s VAL 172 Cb -0.03 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 3kb8 s VAL 172 CO 0.11 0.15 0.94 -0.22 0.00 0.00 0.00 175.10 176.09 3kb8 s LEU 173 N 1.96 4.56 0.27 3.92 2.96 -1.11 0.05 118.68 131.29 3kb8 s LEU 173 Ca 0.19 1.84 -0.31 0.00 -0.22 0.00 0.00 54.13 55.62 3kb8 s LEU 173 Cb -0.15 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 3kb8 s LEU 173 CO 0.09 0.04 1.62 0.29 -1.32 0.00 0.00 176.35 177.07 3kb8 n LYS 174 N 2.24 2.69 -0.24 1.98 5.02 -0.42 -4.67 118.16 124.76 3kb8 n LYS 174 Ca 0.00 0.96 0.23 0.00 -2.02 0.00 0.00 58.31 57.48 3kb8 n LYS 174 Cb 0.48 -2.76 0.57 0.00 -0.02 0.00 0.00 35.03 33.31 3kb8 n LYS 174 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kb8 h PRO 175 N 5.29 0.28 0.00 1.97 0.11 -1.91 -0.21 132.00 137.53 3kb8 h PRO 175 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3kb8 h PRO 175 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kb8 h PRO 175 CO 0.84 0.19 -0.13 0.66 -0.21 0.00 0.00 178.00 179.34 3kb8 h SER 176 N 0.29 0.00 -0.21 -2.05 4.64 -1.91 -1.75 113.55 112.57 3kb8 h SER 176 Ca 0.48 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.73 3kb8 h SER 176 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3kb8 h SER 176 CO -0.15 0.13 -0.13 0.58 -0.87 0.00 0.00 176.83 176.39 3kb8 h VAL 177 N 0.00 1.31 -0.26 0.95 2.07 -1.39 -3.27 116.25 115.66 3kb8 h VAL 177 Ca -0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3kb8 h VAL 177 Cb 0.30 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3kb8 h VAL 177 CO 0.02 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3kb8 n TYR 178 N -4.51 0.34 0.00 1.57 0.18 -1.04 -5.12 117.16 108.57 3kb8 n TYR 178 Ca -0.05 -0.17 0.00 0.00 1.88 0.00 0.00 57.90 59.56 3kb8 n TYR 178 Cb 0.35 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 3kb8 n TYR 178 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23