#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h22 n HIS -15 N 0.00 0.00 -1.45 0.66 1.44 -1.26 -5.07 115.22 109.54 3h22 n HIS -15 Ca 0.00 0.00 -0.50 0.00 -2.01 0.00 0.00 57.72 55.21 3h22 n HIS -15 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 3h22 n HIS -15 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 3h22 n HIS -14 N 0.00 0.01 0.24 -1.40 -0.00 -1.26 -4.89 115.22 107.92 3h22 n HIS -14 Ca 0.00 0.94 0.12 0.00 -0.00 0.00 0.00 57.72 58.78 3h22 n HIS -14 Cb 0.00 -2.04 0.52 0.00 -0.00 0.00 0.00 29.99 28.47 3h22 n HIS -14 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 3h22 h HIS -13 N 1.61 0.00 -0.19 1.57 -0.00 -2.03 -3.10 115.15 113.01 3h22 h HIS -13 Ca -0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 59.91 3h22 h HIS -13 Cb 1.42 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.82 3h22 h HIS -13 CO 0.46 0.15 -0.39 0.45 -0.00 0.00 0.00 177.93 178.60 3h22 h HIS -12 N 0.00 0.49 -3.20 6.12 -0.00 -2.03 -3.44 115.15 113.10 3h22 h HIS -12 Ca -0.00 -0.14 -0.60 0.00 -0.00 0.00 0.00 60.37 59.63 3h22 h HIS -12 Cb 0.69 -0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 27.89 3h22 h HIS -12 CO 0.00 0.75 -0.34 -1.01 -0.00 0.00 0.00 177.93 177.33 3h22 s HIS -11 N -4.23 3.50 -1.13 2.45 0.09 -1.17 -5.00 115.29 109.79 3h22 s HIS -11 Ca -0.06 0.60 0.24 0.00 -0.00 0.00 0.00 55.06 55.84 3h22 s HIS -11 Cb 0.13 -2.28 0.29 0.00 -0.00 0.00 0.00 32.58 30.72 3h22 s HIS -11 CO 0.80 0.33 1.26 0.72 -0.00 0.00 0.00 174.74 177.85 3h22 n HIS -10 N 3.24 0.00 -4.03 1.40 -0.00 -1.26 -4.76 115.22 109.80 3h22 n HIS -10 Ca -0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.48 3h22 n HIS -10 Cb 0.52 -0.15 -0.05 0.00 -0.00 0.00 0.00 29.99 30.31 3h22 n HIS -10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3h22 s SER -9 N -2.92 0.26 -0.48 0.41 1.04 -1.26 -5.03 113.70 105.71 3h22 s SER -9 Ca 0.12 -1.16 0.06 0.00 0.48 0.00 0.00 55.95 55.45 3h22 s SER -9 Cb 0.17 0.61 0.22 0.00 0.10 0.00 0.00 66.02 67.12 3h22 s SER -9 CO 0.72 -1.20 0.51 -1.54 0.98 0.00 0.00 173.24 172.71 3h22 n SER -8 N -0.77 1.04 0.00 7.02 3.41 -1.26 -5.09 113.62 117.97 3h22 n SER -8 Ca -0.01 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 3h22 n SER -8 Cb 0.62 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 3h22 n SER -8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h22 n GLY -7 N 1.77 0.00 3.63 5.00 0.00 -1.26 -4.48 105.19 109.85 3h22 n GLY -7 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3h22 n GLY -7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h22 s LEU -6 N 0.00 4.08 -0.03 0.99 0.20 -1.26 -0.34 118.68 122.32 3h22 s LEU -6 Ca 0.00 0.60 0.02 0.00 0.69 0.00 0.00 54.13 55.44 3h22 s LEU -6 Cb 0.00 -2.71 0.01 0.00 -0.43 0.00 0.00 46.19 43.06 3h22 s LEU -6 CO 0.00 -0.26 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.02 3h22 s VAL -5 N 2.12 0.75 0.73 1.68 1.01 0.67 -4.91 120.40 122.45 3h22 s VAL -5 Ca 0.23 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 3h22 s VAL -5 Cb -0.16 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 3h22 s VAL -5 CO 0.09 0.24 0.31 -2.65 0.00 0.00 0.00 175.10 173.10 3h22 n PRO -4 N 3.44 0.20 0.13 2.72 -0.02 -1.26 -1.15 135.00 139.06 3h22 n PRO -4 Ca -0.20 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3h22 n PRO -4 Cb 0.54 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3h22 n PRO -4 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3h22 n ARG -3 N -0.20 0.00 -4.45 -0.52 0.63 -1.26 -4.82 116.66 106.05 3h22 n ARG -3 Ca 0.08 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.79 3h22 n ARG -3 Cb 0.50 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.31 3h22 n ARG -3 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 3h22 s MET 1 N -2.00 1.59 -0.14 -0.14 1.00 -1.26 -5.33 119.30 113.03 3h22 s MET 1 Ca 0.00 -1.78 -0.11 0.00 0.00 0.00 0.00 55.69 53.80 3h22 s MET 1 Cb 0.00 -1.39 0.04 0.00 0.00 0.00 0.00 34.83 33.48 3h22 s MET 1 CO 0.00 0.15 0.35 -1.59 0.00 0.00 0.00 175.02 173.93 3h22 s LYS 2 N -3.64 0.38 0.37 2.03 -2.85 -0.30 -4.96 119.74 110.77 3h22 s LYS 2 Ca 0.29 0.56 -0.27 0.00 -1.00 0.00 0.00 55.97 55.55 3h22 s LYS 2 Cb 0.01 0.12 -0.09 0.00 -2.06 0.00 0.00 37.83 35.80 3h22 s LYS 2 CO 0.13 -0.09 1.28 -1.58 0.10 0.00 0.00 175.35 175.19 3h22 s TRP 3 N 0.57 2.99 -0.69 1.78 0.52 -1.26 0.24 118.94 123.09 3h22 s TRP 3 Ca -0.03 1.45 0.16 0.00 0.02 0.00 0.00 56.10 57.70 3h22 s TRP 3 Cb -0.05 -3.62 0.70 0.00 -1.15 0.00 0.00 33.47 29.36 3h22 s TRP 3 CO -0.03 -1.81 1.62 -0.40 0.02 0.00 0.00 176.95 176.35 3h22 n ASP 4 N 0.47 4.86 -3.89 2.95 3.85 0.53 -4.85 116.55 120.47 3h22 n ASP 4 Ca 0.02 -2.67 -0.09 0.00 -0.71 0.00 0.00 54.79 51.34 3h22 n ASP 4 Cb 0.43 -0.59 -0.08 0.00 -1.35 0.00 0.00 41.12 39.53 3h22 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h22 s TYR 5 N -2.24 0.18 0.35 2.11 -0.85 -1.26 -4.90 117.35 110.73 3h22 s TYR 5 Ca 0.50 -0.54 0.05 0.00 -0.52 0.00 0.00 57.07 56.56 3h22 s TYR 5 Cb 0.35 -0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.58 3h22 s TYR 5 CO 0.19 -0.46 0.51 -0.51 -1.52 0.00 0.00 175.55 173.76 3h22 s ASP 6 N -2.52 5.95 -0.25 -0.18 1.01 -1.26 -4.62 116.67 114.80 3h22 s ASP 6 Ca 0.01 -0.08 -0.22 0.00 0.71 0.00 0.00 52.55 52.96 3h22 s ASP 6 Cb 0.03 -1.32 -0.01 0.00 1.01 0.00 0.00 42.92 42.63 3h22 s ASP 6 CO -0.08 -0.48 0.73 -0.22 0.21 0.00 0.00 175.17 175.33 3h22 s LEU 7 N -4.25 4.07 -0.31 1.23 1.98 0.13 -4.91 118.68 116.63 3h22 s LEU 7 Ca 0.45 0.87 -0.17 0.00 -2.89 0.00 0.00 54.13 52.40 3h22 s LEU 7 Cb -0.10 -3.02 -0.02 0.00 0.66 0.00 0.00 46.19 43.72 3h22 s LEU 7 CO 0.32 -0.44 0.45 -0.13 -1.89 0.00 0.00 176.35 174.66 3h22 s ARG 8 N 2.65 3.82 -0.52 1.98 1.81 -1.26 -0.03 118.95 127.40 3h22 s ARG 8 Ca 0.30 -0.05 0.06 0.00 -1.72 0.00 0.00 55.73 54.33 3h22 s ARG 8 Cb -0.15 -3.73 0.36 0.00 -0.45 0.00 0.00 34.95 30.97 3h22 s ARG 8 CO 0.08 -0.46 0.94 0.00 -0.68 0.00 0.00 175.30 175.19 3h22 n GLY 10 N -0.21 3.38 0.06 0.00 0.00 -1.26 -1.18 105.19 105.98 3h22 n GLY 10 Ca 0.31 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.57 3h22 n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h22 n GLU 11 N 9.97 0.09 -4.18 1.61 0.28 -1.26 -4.79 120.64 122.36 3h22 n GLU 11 Ca 0.00 0.34 -0.25 0.00 -0.16 0.00 0.00 57.16 57.08 3h22 n GLU 11 Cb 0.00 -1.67 -0.07 0.00 1.43 0.00 0.00 31.44 31.13 3h22 n GLU 11 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3h22 s TYR 12 N -3.15 2.92 -0.06 -1.84 1.51 -0.32 -5.12 117.35 111.29 3h22 s TYR 12 Ca 0.05 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.01 3h22 s TYR 12 Cb 0.09 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.58 3h22 s TYR 12 CO 0.31 0.53 -0.10 0.99 -1.11 0.00 0.00 175.55 176.18 3h22 s THR 13 N -1.87 0.96 -0.27 -0.71 2.01 -1.26 -1.30 115.64 113.20 3h22 s THR 13 Ca 0.29 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 3h22 s THR 13 Cb -0.09 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 3h22 s THR 13 CO 0.21 0.32 0.07 -0.76 -0.69 0.00 0.00 174.62 173.77 3h22 s LEU 14 N 0.81 3.63 -0.14 4.42 1.43 0.96 -4.95 118.68 124.84 3h22 s LEU 14 Ca -0.12 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 3h22 s LEU 14 Cb -0.15 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3h22 s LEU 14 CO 0.02 -0.12 0.64 0.21 0.23 0.00 0.00 176.35 177.33 3h22 s ASN 15 N 1.56 6.80 0.00 2.29 3.84 -1.26 0.17 114.94 128.33 3h22 s ASN 15 Ca 0.05 0.96 0.25 0.00 0.21 0.00 0.00 52.86 54.33 3h22 s ASN 15 Cb -0.16 -2.37 0.60 0.00 -0.55 0.00 0.00 41.25 38.77 3h22 s ASN 15 CO 0.03 -0.19 1.49 0.18 -2.79 0.00 0.00 177.10 175.82 3h22 n LEU 16 N 4.45 2.33 -0.07 3.21 4.77 -1.26 -4.26 117.00 126.17 3h22 n LEU 16 Ca -0.02 -0.82 -0.07 0.00 -0.03 0.00 0.00 56.01 55.07 3h22 n LEU 16 Cb 0.50 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 3h22 n LEU 16 CO 0.45 0.41 -0.97 0.59 -1.33 0.00 0.00 177.39 176.54 3h22 n ASN 17 N 0.81 1.54 0.08 -1.43 3.02 -1.26 -4.67 115.26 113.34 3h22 n ASN 17 Ca 0.17 -0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.63 3h22 n ASN 17 Cb 0.48 0.81 0.03 0.00 -0.61 0.00 0.00 39.78 40.49 3h22 n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 3h22 h GLU 18 N 0.00 0.27 -2.57 3.52 4.11 -1.90 -3.46 114.58 114.55 3h22 h GLU 18 Ca -0.39 -0.24 0.07 0.00 0.07 0.00 0.00 59.36 58.87 3h22 h GLU 18 Cb 1.87 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 31.04 3h22 h GLU 18 CO 0.02 0.91 0.38 -1.59 0.07 0.00 0.00 179.01 178.80 3h22 s LYS 19 N -3.46 1.06 0.15 1.06 -2.85 -1.26 -4.90 119.74 109.54 3h22 s LYS 19 Ca -0.04 -0.42 -0.31 0.00 -1.00 0.00 0.00 55.97 54.20 3h22 s LYS 19 Cb 0.11 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.26 3h22 s LYS 19 CO 0.82 -0.47 1.36 0.99 0.10 0.00 0.00 175.35 178.16 3h22 s THR 20 N -3.39 3.23 -0.10 3.79 2.01 -1.26 -4.85 115.64 115.08 3h22 s THR 20 Ca 0.04 0.94 -0.19 0.00 0.31 0.00 0.00 61.69 62.80 3h22 s THR 20 Cb -0.01 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3h22 s THR 20 CO -0.09 0.10 0.50 -0.76 -0.69 0.00 0.00 174.62 173.68 3h22 s LEU 21 N 0.58 4.31 -0.27 4.42 1.43 -0.67 -4.99 118.68 123.49 3h22 s LEU 21 Ca 0.61 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.45 3h22 s LEU 21 Cb -0.37 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 3h22 s LEU 21 CO 0.34 0.03 0.34 -0.63 0.23 0.00 0.00 176.35 176.65 3h22 s ILE 22 N 0.44 5.20 -0.43 -0.59 -1.09 -1.26 -1.64 121.20 121.83 3h22 s ILE 22 Ca 0.27 0.50 -0.15 0.00 -2.23 0.00 0.00 60.65 59.04 3h22 s ILE 22 Cb -0.16 -3.67 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 3h22 s ILE 22 CO 0.12 0.18 0.33 -0.32 -1.23 0.00 0.00 174.94 174.01 3h22 s MET 23 N 1.99 2.97 0.03 2.79 -2.45 0.19 -0.66 119.30 124.17 3h22 s MET 23 Ca 0.14 -1.11 -0.25 0.00 -1.25 0.00 0.00 55.69 53.21 3h22 s MET 23 Cb -0.16 -4.03 -0.05 0.00 1.25 0.00 0.00 34.83 31.85 3h22 s MET 23 CO 0.10 -0.83 0.78 0.20 1.05 0.00 0.00 175.02 176.31 3h22 s GLY 24 N 1.95 2.78 -0.48 2.11 0.00 0.08 -0.99 107.32 112.78 3h22 s GLY 24 Ca 0.05 0.29 -0.26 0.00 0.00 0.00 0.00 44.72 44.80 3h22 s GLY 24 CO 0.09 1.15 0.98 -0.42 0.00 0.00 0.00 173.10 174.90 3h22 s ILE 25 N 0.10 4.39 0.17 0.90 1.01 -0.65 -1.06 121.20 126.06 3h22 s ILE 25 Ca 0.39 0.80 -0.31 0.00 0.00 0.00 0.00 60.65 61.54 3h22 s ILE 25 Cb -0.20 -4.49 -0.10 0.00 0.01 0.00 0.00 42.46 37.68 3h22 s ILE 25 CO 0.23 -0.92 1.50 -0.22 0.00 0.00 0.00 174.94 175.54 3h22 s LEU 26 N 3.96 4.37 -0.34 2.97 2.96 -0.89 -4.84 118.68 126.87 3h22 s LEU 26 Ca 0.39 2.56 -0.28 0.00 -0.22 0.00 0.00 54.13 56.58 3h22 s LEU 26 Cb -0.10 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3h22 s LEU 26 CO 0.27 -0.76 2.04 0.20 -1.32 0.00 0.00 176.35 176.78 3h22 s ASN 27 N 0.99 5.46 -0.21 3.68 0.01 -1.26 -4.64 114.94 118.97 3h22 s ASN 27 Ca 0.67 1.38 -0.03 0.00 -0.71 0.00 0.00 52.86 54.17 3h22 s ASN 27 Cb -0.42 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 38.72 3h22 s ASN 27 CO 0.33 -2.04 -0.06 0.54 -1.51 0.00 0.00 177.10 174.37 3h22 s VAL 28 N 8.38 3.28 0.00 1.60 0.11 -1.26 -4.69 120.40 127.82 3h22 s VAL 28 Ca 0.88 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 3h22 s VAL 28 Cb -0.24 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.13 3h22 s VAL 28 CO 0.32 0.44 0.10 0.41 -3.33 0.00 0.00 175.10 173.03 3h22 n THR 29 N 4.67 0.00 -4.19 5.04 -1.04 -1.26 -5.12 114.28 112.38 3h22 n THR 29 Ca -0.18 -0.26 -0.18 0.00 -2.04 0.00 0.00 64.05 61.39 3h22 n THR 29 Cb 0.51 1.19 -0.12 0.00 -1.82 0.00 0.00 70.33 70.09 3h22 n THR 29 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3h22 s GLY 36 N -0.32 0.93 0.00 3.41 0.00 -1.26 -5.00 107.32 105.08 3h22 s GLY 36 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3h22 s GLY 36 CO 0.00 -1.13 0.00 0.61 0.00 0.00 0.00 173.10 172.58 3h22 n GLY 37 N 1.06 3.02 3.63 0.20 0.00 -1.26 -4.92 105.19 106.93 3h22 n GLY 37 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3h22 n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h22 n SER 38 N 0.14 -0.04 -0.05 1.61 3.41 -1.26 -4.83 113.62 112.60 3h22 n SER 38 Ca 0.00 0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 58.84 3h22 n SER 38 Cb 0.00 -1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 62.45 3h22 n SER 38 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3h22 h TYR 39 N -1.97 0.32 -0.73 7.33 3.20 -1.99 -2.98 116.97 120.15 3h22 h TYR 39 Ca -0.45 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.33 3h22 h TYR 39 Cb 1.28 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 3h22 h TYR 39 CO 0.47 0.56 0.38 -0.91 -1.64 0.00 0.00 178.16 177.02 3h22 h ASN 40 N -0.02 0.92 -0.22 -2.11 2.35 -1.98 0.18 115.58 114.71 3h22 h ASN 40 Ca 0.04 -0.11 -0.20 0.00 -0.55 0.00 0.00 56.30 55.48 3h22 h ASN 40 Cb 0.46 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.60 3h22 h ASN 40 CO 0.01 0.77 -0.65 1.05 -1.65 0.00 0.00 177.43 176.96 3h22 h GLU 41 N 1.01 0.83 -0.03 0.81 4.11 -1.95 -1.13 114.58 118.23 3h22 h GLU 41 Ca 0.25 -0.60 -0.18 0.00 0.07 0.00 0.00 59.36 58.90 3h22 h GLU 41 Cb 0.07 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3h22 h GLU 41 CO -0.04 1.22 -0.79 0.28 0.07 0.00 0.00 179.01 179.76 3h22 h VAL 42 N 0.59 1.44 -0.14 -1.06 2.07 -1.36 -1.62 116.25 116.16 3h22 h VAL 42 Ca -0.02 -2.36 -0.13 0.00 0.82 0.00 0.00 66.70 65.00 3h22 h VAL 42 Cb 1.28 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 3h22 h VAL 42 CO 0.14 0.70 -0.48 -0.78 0.02 0.00 0.00 177.57 177.17 3h22 h ASP 43 N 0.16 0.39 -0.32 0.57 3.58 -0.69 -1.07 116.42 119.05 3h22 h ASP 43 Ca -0.03 -0.19 -0.15 0.00 0.42 0.00 0.00 57.03 57.08 3h22 h ASP 43 Cb 1.37 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 3h22 h ASP 43 CO 0.12 0.81 -0.35 0.00 -2.88 0.00 0.00 179.24 176.95 3h22 h ALA 44 N 1.20 0.68 0.08 -0.78 0.00 -1.04 -2.42 119.26 116.97 3h22 h ALA 44 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h22 h ALA 44 Cb 0.95 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3h22 h ALA 44 CO 0.08 0.67 -0.04 0.00 0.00 0.00 0.00 179.25 179.96 3h22 h ALA 45 N 0.89 -0.11 -0.60 0.00 0.00 -1.19 -2.32 119.26 115.94 3h22 h ALA 45 Ca 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3h22 h ALA 45 Cb 0.92 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3h22 h ALA 45 CO 0.08 -0.50 0.30 0.28 0.00 0.00 0.00 179.25 179.42 3h22 h VAL 46 N -0.23 0.93 -0.42 0.00 2.07 -1.20 0.80 116.25 118.21 3h22 h VAL 46 Ca -0.01 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3h22 h VAL 46 Cb 0.19 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3h22 h VAL 46 CO 0.02 0.10 -0.02 0.03 0.02 0.00 0.00 177.57 177.72 3h22 h ARG 47 N 0.57 0.69 -0.05 1.57 3.08 -1.38 0.09 114.38 118.95 3h22 h ARG 47 Ca 0.27 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3h22 h ARG 47 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3h22 h ARG 47 CO -0.19 0.72 -0.26 1.25 -1.07 0.00 0.00 179.97 180.41 3h22 h HIS 48 N 0.65 0.37 -0.73 3.04 2.76 -1.01 -1.71 115.15 118.51 3h22 h HIS 48 Ca 0.13 -0.16 0.15 0.00 -2.20 0.00 0.00 60.37 58.28 3h22 h HIS 48 Cb 0.43 -0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.23 3h22 h HIS 48 CO 0.02 0.89 0.24 0.00 -1.30 0.00 0.00 177.93 177.78 3h22 h ALA 49 N 0.40 1.00 -0.71 5.26 0.00 -0.72 -0.57 119.26 123.93 3h22 h ALA 49 Ca -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h22 h ALA 49 Cb 0.92 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3h22 h ALA 49 CO 0.05 -0.27 0.36 0.87 0.00 0.00 0.00 179.25 180.26 3h22 h LYS 50 N 0.36 1.00 0.05 0.00 1.57 -0.86 0.70 116.57 119.40 3h22 h LYS 50 Ca 0.41 -0.13 -0.23 0.00 -1.87 0.00 0.00 60.65 58.83 3h22 h LYS 50 Cb 0.65 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3h22 h LYS 50 CO -0.44 0.76 -1.08 1.49 -0.57 0.00 0.00 179.45 179.60 3h22 h GLU 51 N 1.00 0.14 -0.42 3.15 4.81 -0.61 -0.78 114.58 121.88 3h22 h GLU 51 Ca 0.25 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3h22 h GLU 51 Cb 0.07 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3h22 h GLU 51 CO -0.04 1.08 -0.17 0.52 -0.73 0.00 0.00 179.01 179.68 3h22 h MET 52 N 0.05 0.86 -0.10 1.92 2.86 -0.90 -1.27 114.93 118.34 3h22 h MET 52 Ca -0.07 -0.36 0.04 0.00 -2.06 0.00 0.00 59.70 57.25 3h22 h MET 52 Cb 1.81 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.37 3h22 h MET 52 CO 0.16 1.00 -0.40 -0.09 1.06 0.00 0.00 176.91 178.64 3h22 h ARG 53 N 0.68 -0.47 -0.04 1.72 1.12 -0.81 -1.51 114.38 115.07 3h22 h ARG 53 Ca 0.10 0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.01 3h22 h ARG 53 Cb 0.72 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.79 3h22 h ARG 53 CO 0.05 -0.31 0.19 -0.44 -3.11 0.00 0.00 179.97 176.36 3h22 h ASP 54 N -0.49 0.00 0.50 -3.80 3.32 -0.96 -2.81 116.42 112.18 3h22 h ASP 54 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3h22 h ASP 54 Cb 0.61 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3h22 h ASP 54 CO -0.37 0.00 -1.59 -0.62 -1.72 0.00 0.00 179.24 174.94 3h22 n GLU 55 N -3.14 0.64 0.00 3.56 1.02 -0.50 -4.97 120.64 117.26 3h22 n GLU 55 Ca -0.02 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3h22 n GLU 55 Cb 0.27 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3h22 n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h22 n GLY 56 N 1.35 0.60 3.78 0.62 0.00 -0.73 -4.43 105.19 106.37 3h22 n GLY 56 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3h22 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 s ALA 57 N -0.60 3.39 -0.08 4.61 0.00 -0.88 -4.66 121.76 123.54 3h22 s ALA 57 Ca 0.00 0.41 0.15 0.00 0.00 0.00 0.00 51.96 52.53 3h22 s ALA 57 Cb 0.00 -3.02 -0.23 0.00 0.00 0.00 0.00 23.12 19.87 3h22 s ALA 57 CO 0.00 0.26 0.23 0.72 0.00 0.00 0.00 175.76 176.97 3h22 n HIS 58 N 1.30 0.00 -4.11 0.00 8.25 0.17 -4.64 115.22 116.18 3h22 n HIS 58 Ca -0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 3h22 n HIS 58 Cb 0.49 -0.54 -0.12 0.00 1.12 0.00 0.00 29.99 30.94 3h22 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h22 s ILE 59 N -2.81 0.68 -0.22 1.59 1.01 -0.84 -3.99 121.20 116.62 3h22 s ILE 59 Ca -0.07 -1.04 -0.05 0.00 0.00 0.00 0.00 60.65 59.50 3h22 s ILE 59 Cb 0.08 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 3h22 s ILE 59 CO 0.66 -0.28 -0.01 -0.63 0.00 0.00 0.00 174.94 174.68 3h22 s ILE 60 N -1.21 3.69 -0.26 2.92 -1.09 0.01 -0.74 121.20 124.53 3h22 s ILE 60 Ca -0.07 -0.39 -0.14 0.00 -2.23 0.00 0.00 60.65 57.83 3h22 s ILE 60 Cb -0.09 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3h22 s ILE 60 CO 0.01 0.41 0.31 -0.62 -1.23 0.00 0.00 174.94 173.82 3h22 s ASP 61 N 1.35 6.21 -0.30 3.58 3.68 -0.22 -0.87 116.67 130.10 3h22 s ASP 61 Ca 0.04 0.24 -0.07 0.00 2.13 0.00 0.00 52.55 54.89 3h22 s ASP 61 Cb -0.14 -2.18 0.01 0.00 -1.45 0.00 0.00 42.92 39.15 3h22 s ASP 61 CO -0.00 -0.11 0.08 -0.63 0.13 0.00 0.00 175.17 174.64 3h22 s ILE 62 N 1.77 3.95 -0.24 4.11 1.01 -0.05 -2.10 121.20 129.65 3h22 s ILE 62 Ca 0.13 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3h22 s ILE 62 Cb -0.15 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 3h22 s ILE 62 CO 0.09 0.07 0.12 -0.83 0.00 0.00 0.00 174.94 174.39 3h22 s GLY 63 N 1.49 1.88 0.08 6.18 0.00 -1.26 -1.43 107.32 114.27 3h22 s GLY 63 Ca 0.02 -0.98 -0.21 0.00 0.00 0.00 0.00 44.72 43.55 3h22 s GLY 63 CO 0.02 0.42 1.62 -1.33 0.00 0.00 0.00 173.10 173.84 3h22 h GLY 64 N 7.75 0.22 -4.14 0.20 0.00 -1.93 -3.46 103.07 101.70 3h22 h GLY 64 Ca -0.37 -0.12 -0.52 0.00 0.00 0.00 0.00 47.33 46.32 3h22 h GLY 64 CO 0.62 0.11 0.37 -0.54 0.00 0.00 0.00 176.54 177.10 3h22 s GLU 65 N -5.58 4.68 0.00 4.80 2.02 -1.26 -5.03 118.70 118.33 3h22 s GLU 65 Ca -0.14 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.31 3h22 s GLU 65 Cb 0.07 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3h22 s GLU 65 CO 0.69 0.17 0.00 0.28 0.02 0.00 0.00 175.26 176.43 3h22 n VAL 74 N 2.91 -0.55 -1.92 2.63 0.31 -1.26 -5.19 118.33 115.26 3h22 n VAL 74 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.06 3h22 n VAL 74 Cb 0.49 -0.52 0.15 0.00 -0.91 0.00 0.00 33.84 33.06 3h22 n VAL 74 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3h22 s SER 75 N -0.58 3.56 0.42 4.52 1.04 -1.26 -4.85 113.70 116.56 3h22 s SER 75 Ca 0.00 0.43 0.17 0.00 0.48 0.00 0.00 55.95 57.03 3h22 s SER 75 Cb 0.00 -0.62 1.07 0.00 0.10 0.00 0.00 66.02 66.57 3h22 s SER 75 CO 0.00 -2.47 1.88 0.58 0.98 0.00 0.00 173.24 174.21 3h22 h VAL 76 N -1.46 0.73 0.29 5.02 2.07 -2.04 -2.44 116.25 118.42 3h22 h VAL 76 Ca -0.45 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3h22 h VAL 76 Cb 1.27 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3h22 h VAL 76 CO 0.47 0.08 -0.14 -0.33 0.02 0.00 0.00 177.57 177.67 3h22 h GLU 77 N 0.41 -0.37 -0.90 1.57 3.07 -2.00 -2.50 114.58 113.86 3h22 h GLU 77 Ca 0.43 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.37 3h22 h GLU 77 Cb 1.04 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.98 3h22 h GLU 77 CO -0.15 -0.03 0.59 0.93 -1.40 0.00 0.00 179.01 178.95 3h22 h GLU 78 N -0.80 1.04 -0.43 2.33 3.07 -1.91 -1.86 114.58 116.02 3h22 h GLU 78 Ca -0.04 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 3h22 h GLU 78 Cb 0.51 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3h22 h GLU 78 CO 0.06 0.69 -0.05 1.49 -1.40 0.00 0.00 179.01 179.80 3h22 h GLU 79 N 1.07 0.79 -0.51 2.33 4.81 -1.49 -2.33 114.58 119.25 3h22 h GLU 79 Ca 0.38 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3h22 h GLU 79 Cb 0.12 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3h22 h GLU 79 CO -0.13 0.89 0.29 0.82 -0.73 0.00 0.00 179.01 180.15 3h22 h ILE 80 N 0.62 1.17 -0.83 2.32 2.04 -1.27 -1.51 117.51 120.06 3h22 h ILE 80 Ca 0.12 -0.42 0.15 0.00 1.00 0.00 0.00 64.86 65.71 3h22 h ILE 80 Cb 0.57 0.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.06 3h22 h ILE 80 CO 0.03 0.18 0.39 0.50 0.00 0.00 0.00 178.15 179.26 3h22 h LYS 81 N 0.69 0.53 0.18 2.37 3.64 -1.26 -0.50 116.57 122.22 3h22 h LYS 81 Ca 0.18 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.23 3h22 h LYS 81 Cb 0.03 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3h22 h LYS 81 CO -0.03 0.35 -1.37 -0.09 -2.27 0.00 0.00 179.45 176.04 3h22 h ARG 82 N 0.55 0.38 0.00 1.90 2.43 -1.19 -3.35 114.38 115.11 3h22 h ARG 82 Ca 0.46 -0.66 -0.29 0.00 -0.81 0.00 0.00 59.98 58.69 3h22 h ARG 82 Cb 0.70 0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.44 3h22 h ARG 82 CO -0.39 1.31 -1.70 1.55 -1.51 0.00 0.00 179.97 179.23 3h22 n VAL 83 N -3.60 1.60 -0.06 0.20 3.14 -0.59 -4.06 118.33 114.95 3h22 n VAL 83 Ca -0.13 -0.79 -0.14 0.00 -2.96 0.00 0.00 64.34 60.32 3h22 n VAL 83 Cb 1.06 -1.03 -0.06 0.00 -1.06 0.00 0.00 33.84 32.75 3h22 n VAL 83 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 3h22 h VAL 84 N 0.00 1.33 -0.94 1.55 2.07 -1.31 -1.49 116.25 117.45 3h22 h VAL 84 Ca -0.28 -1.60 0.12 0.00 0.82 0.00 0.00 66.70 65.76 3h22 h VAL 84 Cb 2.00 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 33.53 3h22 h VAL 84 CO 0.08 0.50 0.60 -0.65 0.02 0.00 0.00 177.57 178.12 3h22 h PRO 85 N 0.31 0.85 -0.27 1.57 0.11 -1.77 -1.26 132.00 131.53 3h22 h PRO 85 Ca 0.01 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 3h22 h PRO 85 Cb 0.97 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3h22 h PRO 85 CO 0.08 0.56 -0.19 0.52 -0.21 0.00 0.00 178.00 178.77 3h22 h MET 86 N 0.87 0.61 -0.39 1.05 2.86 -1.64 -1.92 114.93 116.37 3h22 h MET 86 Ca 0.46 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3h22 h MET 86 Cb 0.54 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3h22 h MET 86 CO -0.23 0.88 0.25 0.82 1.06 0.00 0.00 176.91 179.70 3h22 h ILE 87 N 0.34 1.11 -0.75 -1.22 2.04 -1.15 0.33 117.51 118.21 3h22 h ILE 87 Ca 0.05 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3h22 h ILE 87 Cb 0.73 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3h22 h ILE 87 CO 0.05 0.11 0.49 1.56 0.00 0.00 0.00 178.15 180.36 3h22 h GLN 88 N 0.53 0.97 0.03 2.37 4.20 -1.24 -0.23 115.11 121.74 3h22 h GLN 88 Ca 0.14 -0.06 -0.25 0.00 0.06 0.00 0.00 58.65 58.54 3h22 h GLN 88 Cb -0.04 -0.22 0.02 0.00 0.30 0.00 0.00 27.48 27.54 3h22 h GLN 88 CO -0.03 0.64 -1.00 0.00 -0.67 0.00 0.00 178.83 177.77 3h22 h ALA 89 N 1.28 0.08 -0.28 3.87 0.00 -1.35 -3.10 119.26 119.78 3h22 h ALA 89 Ca 0.28 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3h22 h ALA 89 Cb -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h22 h ALA 89 CO -0.07 0.62 -0.06 0.28 0.00 0.00 0.00 179.25 180.02 3h22 h VAL 90 N 0.27 1.28 -0.75 0.00 2.07 -0.80 -1.87 116.25 116.45 3h22 h VAL 90 Ca -0.13 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.26 3h22 h VAL 90 Cb 1.68 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 3h22 h VAL 90 CO 0.20 0.34 0.27 0.77 0.02 0.00 0.00 177.57 179.16 3h22 h SER 91 N 0.29 1.06 -0.16 0.57 4.64 -1.19 0.52 113.55 119.28 3h22 h SER 91 Ca 0.07 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 3h22 h SER 91 Cb 0.53 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3h22 h SER 91 CO 0.03 0.96 -0.09 0.50 -0.87 0.00 0.00 176.83 177.36 3h22 h LYS 92 N 1.10 0.50 0.00 4.77 3.64 -1.46 -3.36 116.57 121.76 3h22 h LYS 92 Ca 0.25 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3h22 h LYS 92 Cb 0.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3h22 h LYS 92 CO -0.01 0.59 -1.00 0.39 -2.27 0.00 0.00 179.45 177.15 3h22 n GLU 93 N -4.23 1.92 -3.87 1.90 1.02 -0.71 -4.90 120.64 111.78 3h22 n GLU 93 Ca 0.01 -0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 56.84 3h22 n GLU 93 Cb 0.30 -1.12 -0.17 0.00 -0.02 0.00 0.00 31.44 30.43 3h22 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h22 s VAL 94 N -2.35 0.84 -0.76 2.62 1.01 0.14 -5.02 120.40 116.87 3h22 s VAL 94 Ca -0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 3h22 s VAL 94 Cb 0.07 -0.90 0.13 0.00 0.00 0.00 0.00 36.38 35.68 3h22 s VAL 94 CO 0.42 0.33 0.89 -0.54 0.00 0.00 0.00 175.10 176.21 3h22 s LYS 95 N 1.79 3.34 -0.17 2.72 -0.14 -1.26 -4.44 119.74 121.57 3h22 s LYS 95 Ca 0.05 -1.60 -0.30 0.00 -1.36 0.00 0.00 55.97 52.76 3h22 s LYS 95 Cb -0.12 -4.51 0.13 0.00 -1.68 0.00 0.00 37.83 31.65 3h22 s LYS 95 CO -0.07 -1.62 1.02 -0.51 -0.76 0.00 0.00 175.35 173.42 3h22 s LEU 96 N 2.44 -0.34 0.49 3.17 1.43 -1.26 -5.15 118.68 119.47 3h22 s LEU 96 Ca 0.21 0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 53.46 3h22 s LEU 96 Cb -0.14 1.80 -0.06 0.00 0.03 0.00 0.00 46.19 47.82 3h22 s LEU 96 CO -0.01 -0.32 1.33 -2.84 0.23 0.00 0.00 176.35 174.74 3h22 s PRO 97 N -1.09 3.46 -0.06 1.29 0.02 -1.26 -4.87 135.00 132.50 3h22 s PRO 97 Ca -0.01 2.17 0.05 0.00 0.02 0.00 0.00 61.00 63.23 3h22 s PRO 97 Cb -0.01 -2.42 -0.02 0.00 0.02 0.00 0.00 34.50 32.08 3h22 s PRO 97 CO 0.01 -0.91 -0.21 0.42 -0.33 0.00 0.00 177.00 175.98 3h22 s ILE 98 N -1.33 2.41 -0.12 2.83 1.01 -1.26 -0.81 121.20 123.94 3h22 s ILE 98 Ca 0.66 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 3h22 s ILE 98 Cb -0.38 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3h22 s ILE 98 CO 0.47 0.57 -0.02 -0.94 0.00 0.00 0.00 174.94 175.02 3h22 s SER 99 N -0.24 5.03 -0.33 3.58 1.04 -0.05 -0.10 113.70 122.63 3h22 s SER 99 Ca -0.01 0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.19 3h22 s SER 99 Cb -0.13 -1.59 0.01 0.00 0.10 0.00 0.00 66.02 64.40 3h22 s SER 99 CO 0.03 0.28 0.88 -0.51 0.98 0.00 0.00 173.24 174.90 3h22 s ILE 100 N -0.29 4.67 -1.17 -1.02 1.10 -0.47 -0.87 121.20 123.15 3h22 s ILE 100 Ca 0.06 1.26 -0.17 0.00 -0.51 0.00 0.00 60.65 61.29 3h22 s ILE 100 Cb -0.12 -4.26 0.13 0.00 0.15 0.00 0.00 42.46 38.35 3h22 s ILE 100 CO 0.02 -0.40 1.47 -0.62 -2.11 0.00 0.00 174.94 173.30 3h22 s ASP 101 N 1.72 6.89 0.12 4.50 3.68 -0.51 -0.96 116.67 132.11 3h22 s ASP 101 Ca 0.36 -2.56 0.01 0.00 2.13 0.00 0.00 52.55 52.50 3h22 s ASP 101 Cb -0.13 -2.46 -0.04 0.00 -1.45 0.00 0.00 42.92 38.83 3h22 s ASP 101 CO 0.15 -0.98 -0.03 0.28 0.13 0.00 0.00 175.17 174.72 3h22 s THR 102 N 2.77 0.58 -0.56 1.71 -1.32 -0.97 -3.12 115.64 114.74 3h22 s THR 102 Ca 0.44 -1.93 0.07 0.00 -1.21 0.00 0.00 61.69 59.06 3h22 s THR 102 Cb -0.01 -1.84 -0.03 0.00 -1.51 0.00 0.00 72.50 69.11 3h22 s THR 102 CO -0.00 -0.72 0.46 0.00 -2.21 0.00 0.00 174.62 172.14 3h22 n TYR 103 N -0.09 0.00 -3.20 9.09 0.18 -1.26 -3.78 117.16 118.09 3h22 n TYR 103 Ca -0.10 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.29 3h22 n TYR 103 Cb 0.62 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.52 3h22 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h22 s LYS 104 N -1.29 4.31 0.17 -3.48 1.02 -1.26 -4.16 119.74 115.05 3h22 s LYS 104 Ca 0.05 0.75 -0.14 0.00 0.02 0.00 0.00 55.97 56.65 3h22 s LYS 104 Cb 0.06 -3.33 0.08 0.00 -0.52 0.00 0.00 37.83 34.11 3h22 s LYS 104 CO 0.22 0.40 1.83 0.00 -0.92 0.00 0.00 175.35 176.88 3h22 h ALA 105 N 5.48 0.67 -0.20 5.17 0.00 -1.91 -2.78 119.26 125.69 3h22 h ALA 105 Ca -0.46 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 3h22 h ALA 105 Cb 1.20 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3h22 h ALA 105 CO 0.69 0.08 -0.58 1.49 0.00 0.00 0.00 179.25 180.92 3h22 h GLU 106 N 0.68 0.63 -0.40 0.00 4.57 -1.95 -2.01 114.58 116.10 3h22 h GLU 106 Ca 0.20 -0.42 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 3h22 h GLU 106 Cb -0.05 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 3h22 h GLU 106 CO -0.06 1.03 0.09 0.28 -1.18 0.00 0.00 179.01 179.18 3h22 h VAL 107 N 0.48 1.23 -0.77 0.32 2.07 -1.89 -2.91 116.25 114.78 3h22 h VAL 107 Ca 0.00 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 3h22 h VAL 107 Cb 1.15 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3h22 h VAL 107 CO 0.11 0.28 0.27 0.00 0.02 0.00 0.00 177.57 178.25 3h22 h ALA 108 N 0.94 1.00 0.33 1.67 0.00 -1.35 -1.42 119.26 120.44 3h22 h ALA 108 Ca 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h22 h ALA 108 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h22 h ALA 108 CO 0.00 0.66 -0.22 -0.22 0.00 0.00 0.00 179.25 179.47 3h22 h LYS 109 N 1.13 -0.52 -0.46 0.00 3.64 -1.30 -1.00 116.57 118.06 3h22 h LYS 109 Ca 0.25 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3h22 h LYS 109 Cb 0.27 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3h22 h LYS 109 CO -0.01 -0.34 0.30 1.96 -2.27 0.00 0.00 179.45 179.09 3h22 h GLN 110 N -0.54 0.60 -0.83 1.90 1.08 -1.49 -0.81 115.11 115.03 3h22 h GLN 110 Ca -0.03 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3h22 h GLN 110 Cb 0.45 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.70 3h22 h GLN 110 CO 0.02 0.40 0.55 0.00 -0.95 0.00 0.00 178.83 178.85 3h22 h ALA 111 N 1.17 1.51 -0.16 3.87 0.00 -1.18 0.68 119.26 125.15 3h22 h ALA 111 Ca 0.17 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3h22 h ALA 111 Cb -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3h22 h ALA 111 CO -0.04 0.41 -0.47 0.82 0.00 0.00 0.00 179.25 179.96 3h22 h ILE 112 N 1.01 1.34 -0.74 0.00 2.04 -0.64 -0.48 117.51 120.04 3h22 h ILE 112 Ca 0.33 -1.74 0.01 0.00 1.00 0.00 0.00 64.86 64.47 3h22 h ILE 112 Cb 0.06 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3h22 h ILE 112 CO -0.10 0.53 0.49 -0.33 0.00 0.00 0.00 178.15 178.74 3h22 h GLU 113 N 0.25 0.96 0.00 2.37 4.39 -0.54 -2.06 114.58 119.94 3h22 h GLU 113 Ca -0.02 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3h22 h GLU 113 Cb 1.10 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3h22 h GLU 113 CO 0.10 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 178.59 3h22 n ALA 114 N -2.42 2.08 0.00 3.43 0.00 0.23 -4.90 120.51 118.93 3h22 n ALA 114 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3h22 n ALA 114 Cb 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3h22 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h22 n GLY 115 N 0.90 -0.03 3.82 0.00 0.00 -0.73 -3.61 105.19 105.54 3h22 n GLY 115 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3h22 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 s ALA 116 N -0.88 2.79 -0.09 4.61 0.00 -0.27 -4.85 121.76 123.07 3h22 s ALA 116 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.22 3h22 s ALA 116 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 3h22 s ALA 116 CO 0.00 -0.86 -0.05 0.72 0.00 0.00 0.00 175.76 175.57 3h22 n HIS 117 N -2.38 0.00 -5.00 0.00 -0.00 0.86 -4.54 115.22 104.16 3h22 n HIS 117 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.51 3h22 n HIS 117 Cb 0.53 -0.38 -0.15 0.00 -0.00 0.00 0.00 29.99 29.99 3h22 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h22 s ILE 118 N -2.19 1.86 -0.15 1.59 1.01 -0.83 -4.07 121.20 118.42 3h22 s ILE 118 Ca -0.10 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 3h22 s ILE 118 Cb 0.03 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 3h22 s ILE 118 CO 0.25 0.43 0.25 -0.63 0.00 0.00 0.00 174.94 175.24 3h22 s ILE 119 N -0.65 5.33 -0.39 2.92 1.01 -0.55 -1.37 121.20 127.50 3h22 s ILE 119 Ca 0.09 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.22 3h22 s ILE 119 Cb -0.09 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 38.91 3h22 s ILE 119 CO 0.00 0.44 0.14 0.21 0.00 0.00 0.00 174.94 175.73 3h22 s ASN 120 N 0.19 4.92 -0.34 3.58 2.47 -0.13 0.05 114.94 125.67 3h22 s ASN 120 Ca 0.15 -2.23 -0.06 0.00 0.42 0.00 0.00 52.86 51.15 3h22 s ASN 120 Cb -0.13 -1.71 0.05 0.00 -1.45 0.00 0.00 41.25 38.01 3h22 s ASN 120 CO 0.03 -0.42 0.11 -0.62 -3.72 0.00 0.00 177.10 172.48 3h22 s ASP 121 N 1.10 5.27 0.00 -4.21 3.68 -0.53 -2.28 116.67 119.69 3h22 s ASP 121 Ca 0.11 -1.26 0.17 0.00 2.13 0.00 0.00 52.55 53.70 3h22 s ASP 121 Cb -0.21 -1.85 0.80 0.00 -1.45 0.00 0.00 42.92 40.21 3h22 s ASP 121 CO -0.06 -0.35 1.51 2.30 0.13 0.00 0.00 175.17 178.70 3h22 n ILE 122 N 4.77 0.63 0.17 4.11 -5.35 -1.26 -1.61 119.36 120.83 3h22 n ILE 122 Ca -0.12 0.16 0.03 0.00 -0.27 0.00 0.00 62.75 62.55 3h22 n ILE 122 Cb 0.44 -0.88 -0.04 0.00 -1.74 0.00 0.00 39.64 37.42 3h22 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h22 n TRP 123 N -1.36 0.00 -2.83 4.28 7.02 -1.26 -4.30 117.44 118.99 3h22 n TRP 123 Ca 0.07 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.45 3h22 n TRP 123 Cb 0.15 -0.06 0.05 0.00 -2.42 0.00 0.00 31.31 29.03 3h22 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h22 n GLY 124 N 1.56 0.03 2.53 6.99 0.00 -0.88 -2.43 105.19 112.99 3h22 n GLY 124 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 3h22 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 n ALA 125 N -2.90 -0.02 0.14 4.61 0.00 -1.26 -4.62 120.51 116.46 3h22 n ALA 125 Ca -0.13 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.45 3h22 n ALA 125 Cb 0.58 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 3h22 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h22 n LYS 126 N -1.01 0.56 -0.03 0.00 5.02 -1.02 -3.39 118.16 118.30 3h22 n LYS 126 Ca -0.02 -0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 55.98 3h22 n LYS 126 Cb 0.29 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 3h22 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h22 h ALA 127 N 2.13 0.05 -2.19 7.82 0.00 -1.88 -3.43 119.26 121.75 3h22 h ALA 127 Ca 0.00 -0.78 -0.46 0.00 0.00 0.00 0.00 54.91 53.68 3h22 h ALA 127 Cb 0.93 0.23 -0.34 0.00 0.00 0.00 0.00 17.79 18.62 3h22 h ALA 127 CO 0.00 0.37 -0.76 -1.21 0.00 0.00 0.00 179.25 177.66 3h22 s GLU 128 N -2.35 0.62 0.36 0.00 2.02 -1.26 -5.04 118.70 113.05 3h22 s GLU 128 Ca -0.19 -1.10 0.10 0.00 0.02 0.00 0.00 54.97 53.80 3h22 s GLU 128 Cb 0.01 -0.96 0.86 0.00 0.10 0.00 0.00 34.13 34.14 3h22 s GLU 128 CO 0.73 -1.21 1.86 -1.35 0.02 0.00 0.00 175.26 175.30 3h22 h PRO 129 N 6.95 0.63 0.00 0.39 0.11 -1.84 -1.48 132.00 136.75 3h22 h PRO 129 Ca 0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3h22 h PRO 129 Cb 1.02 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3h22 h PRO 129 CO 0.22 0.42 0.07 1.63 -0.21 0.00 0.00 178.00 180.13 3h22 n LYS 130 N -4.58 0.01 -0.09 1.05 5.02 -1.26 -1.24 118.16 117.07 3h22 n LYS 130 Ca 0.18 0.45 0.01 0.00 -2.02 0.00 0.00 58.31 56.93 3h22 n LYS 130 Cb 0.53 -1.61 0.30 0.00 -0.02 0.00 0.00 35.03 34.22 3h22 n LYS 130 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3h22 h ILE 131 N 0.00 1.17 -0.32 -0.18 2.10 -1.60 -2.48 117.51 116.21 3h22 h ILE 131 Ca 0.00 -0.48 -0.06 0.00 1.08 0.00 0.00 64.86 65.40 3h22 h ILE 131 Cb 0.14 0.48 -0.02 0.00 -1.09 0.00 0.00 36.82 36.34 3h22 h ILE 131 CO 0.00 0.20 -0.06 0.00 -1.08 0.00 0.00 178.15 177.21 3h22 h ALA 132 N 1.55 1.31 0.00 0.18 0.00 -1.41 0.46 119.26 121.35 3h22 h ALA 132 Ca 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3h22 h ALA 132 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3h22 h ALA 132 CO -0.03 0.47 -0.24 0.93 0.00 0.00 0.00 179.25 180.38 3h22 h GLU 133 N 0.48 0.00 -0.00 0.00 5.08 -1.60 0.68 114.58 119.21 3h22 h GLU 133 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3h22 h GLU 133 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3h22 h GLU 133 CO 0.02 0.24 -0.03 0.28 -1.00 0.00 0.00 179.01 178.52 3h22 h VAL 134 N 0.00 1.57 -0.39 3.13 2.07 -0.95 -2.41 116.25 119.26 3h22 h VAL 134 Ca -0.00 -1.71 0.08 0.00 0.82 0.00 0.00 66.70 65.89 3h22 h VAL 134 Cb 0.44 2.71 -0.09 0.00 -1.52 0.00 0.00 31.29 32.83 3h22 h VAL 134 CO 0.03 0.45 -0.25 0.00 0.02 0.00 0.00 177.57 177.81 3h22 h ALA 135 N 0.29 -0.03 -0.27 1.67 0.00 -0.75 -0.77 119.26 119.40 3h22 h ALA 135 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h22 h ALA 135 Cb 0.75 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3h22 h ALA 135 CO 0.01 -0.63 0.06 0.00 0.00 0.00 0.00 179.25 178.68 3h22 h ALA 136 N 0.97 1.61 0.12 0.00 0.00 -0.94 0.36 119.26 121.38 3h22 h ALA 136 Ca 0.19 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3h22 h ALA 136 Cb 0.48 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.18 3h22 h ALA 136 CO -0.50 0.30 -0.95 1.25 0.00 0.00 0.00 179.25 179.34 3h22 h HIS 137 N 0.38 0.73 0.00 0.00 6.17 -0.92 -3.18 115.15 118.33 3h22 h HIS 137 Ca 0.09 -0.48 0.00 0.00 0.71 0.00 0.00 60.37 60.69 3h22 h HIS 137 Cb 0.16 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.04 3h22 h HIS 137 CO 0.00 1.35 -0.15 0.66 0.71 0.00 0.00 177.93 180.50 3h22 n TYR 138 N -4.02 0.38 -3.45 5.26 4.01 -0.34 -4.93 117.16 114.07 3h22 n TYR 138 Ca -0.13 0.11 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 3h22 n TYR 138 Cb 0.86 -0.63 0.07 0.00 -0.31 0.00 0.00 39.34 39.33 3h22 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h22 n ASP 139 N -1.83 -5.53 -4.79 7.72 2.03 0.12 -5.01 116.55 109.26 3h22 n ASP 139 Ca 0.06 -0.48 -0.30 0.00 0.52 0.00 0.00 54.79 54.59 3h22 n ASP 139 Cb 0.38 -4.49 -0.06 0.00 -0.72 0.00 0.00 41.12 36.23 3h22 n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3h22 s VAL 140 N -3.28 4.61 0.33 5.18 -7.23 -0.71 -4.99 120.40 114.30 3h22 s VAL 140 Ca 0.47 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 3h22 s VAL 140 Cb -0.21 -3.24 -0.11 0.00 0.56 0.00 0.00 36.38 33.38 3h22 s VAL 140 CO 0.64 0.10 1.55 -2.84 -0.31 0.00 0.00 175.10 174.24 3h22 s PRO 141 N -2.49 4.12 -0.07 4.82 0.02 -1.26 -4.80 135.00 135.34 3h22 s PRO 141 Ca 0.30 2.57 0.04 0.00 0.02 0.00 0.00 61.00 63.94 3h22 s PRO 141 Cb -0.12 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.40 3h22 s PRO 141 CO 0.23 -0.59 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.60 3h22 s ILE 142 N -0.46 1.76 -0.22 2.83 2.07 0.70 -1.48 121.20 126.41 3h22 s ILE 142 Ca 0.59 -0.88 -0.17 0.00 -1.41 0.00 0.00 60.65 58.78 3h22 s ILE 142 Cb -0.47 -1.52 -0.03 0.00 0.13 0.00 0.00 42.46 40.56 3h22 s ILE 142 CO 0.54 0.50 0.45 -0.63 -1.91 0.00 0.00 174.94 173.89 3h22 s ILE 143 N 0.17 5.14 -0.40 2.00 1.01 0.11 -1.83 121.20 127.41 3h22 s ILE 143 Ca -0.10 0.79 -0.06 0.00 0.00 0.00 0.00 60.65 61.28 3h22 s ILE 143 Cb -0.15 -3.78 0.08 0.00 0.01 0.00 0.00 42.46 38.63 3h22 s ILE 143 CO 0.05 0.19 0.20 -0.76 0.00 0.00 0.00 174.94 174.62 3h22 s LEU 144 N 1.70 4.99 0.18 2.97 1.43 0.98 -1.46 118.68 129.46 3h22 s LEU 144 Ca 0.20 -1.61 -0.21 0.00 -1.03 0.00 0.00 54.13 51.48 3h22 s LEU 144 Cb -0.15 -1.90 -0.08 0.00 0.03 0.00 0.00 46.19 44.09 3h22 s LEU 144 CO 0.09 -0.50 0.71 -0.32 0.23 0.00 0.00 176.35 176.56 3h22 s MET 145 N 1.32 4.33 -0.18 1.70 1.75 -0.63 -2.66 119.30 124.93 3h22 s MET 145 Ca 0.03 0.92 -0.29 0.00 -1.25 0.00 0.00 55.69 55.10 3h22 s MET 145 Cb -0.22 -3.05 -0.04 0.00 2.84 0.00 0.00 34.83 34.35 3h22 s MET 145 CO -0.00 0.49 1.79 -1.58 -0.65 0.00 0.00 175.02 175.07 3h22 s HIS 146 N -1.35 1.78 0.06 4.11 2.46 0.57 -4.02 115.29 118.91 3h22 s HIS 146 Ca 0.38 0.37 0.00 0.00 0.47 0.00 0.00 55.06 56.28 3h22 s HIS 146 Cb -0.19 -4.02 -0.04 0.00 -0.13 0.00 0.00 32.58 28.20 3h22 s HIS 146 CO 0.22 -3.61 -0.04 1.21 -2.47 0.00 0.00 174.74 170.05 3h22 s ASN 147 N 5.07 0.70 0.20 9.88 3.84 -1.26 -4.05 114.94 129.32 3h22 s ASN 147 Ca 0.80 -0.96 -0.19 0.00 0.21 0.00 0.00 52.86 52.72 3h22 s ASN 147 Cb -0.29 0.15 0.03 0.00 -0.55 0.00 0.00 41.25 40.59 3h22 s ASN 147 CO 0.33 -0.53 0.56 0.00 -2.79 0.00 0.00 177.10 174.67 3h22 s ARG 148 N -3.69 1.41 0.00 0.43 1.70 -1.26 -5.04 118.95 112.50 3h22 s ARG 148 Ca 0.07 -0.81 0.12 0.00 -0.47 0.00 0.00 55.73 54.64 3h22 s ARG 148 Cb 0.06 0.54 0.41 0.00 -0.57 0.00 0.00 34.95 35.39 3h22 s ARG 148 CO -0.07 -0.61 1.32 -0.40 -1.08 0.00 0.00 175.30 174.46 3h22 n ASP 149 N -0.36 1.57 -3.52 -2.89 5.68 -1.26 -4.61 116.55 111.16 3h22 n ASP 149 Ca -0.11 -1.91 -0.14 0.00 -0.50 0.00 0.00 54.79 52.14 3h22 n ASP 149 Cb 0.62 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 40.38 3h22 n ASP 149 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3h22 s ASN 150 N -1.15 0.76 -0.19 -1.12 2.20 -1.26 -5.07 114.94 109.10 3h22 s ASN 150 Ca 0.23 -1.42 0.14 0.00 -0.94 0.00 0.00 52.86 50.86 3h22 s ASN 150 Cb 0.12 0.60 0.44 0.00 -2.00 0.00 0.00 41.25 40.40 3h22 s ASN 150 CO 0.17 -1.17 1.20 0.23 -2.94 0.00 0.00 177.10 174.59 3h22 n MET 151 N -0.50 1.73 -3.23 3.55 2.81 -1.26 -4.80 117.12 115.42 3h22 n MET 151 Ca 0.02 -3.27 -0.46 0.00 -1.81 0.00 0.00 57.70 52.18 3h22 n MET 151 Cb 0.62 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 3h22 n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h22 s ASN 152 N -3.13 6.53 -0.17 7.83 0.02 -1.26 -4.91 114.94 119.84 3h22 s ASN 152 Ca 0.39 -2.20 -0.05 0.00 -1.02 0.00 0.00 52.86 49.98 3h22 s ASN 152 Cb 0.38 -2.25 -0.03 0.00 0.02 0.00 0.00 41.25 39.36 3h22 s ASN 152 CO -0.06 -0.79 0.00 -0.31 0.02 0.00 0.00 177.10 175.96 3h22 s TYR 153 N 1.25 3.11 0.12 2.20 1.51 -1.26 -4.97 117.35 119.31 3h22 s TYR 153 Ca 0.16 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 55.90 3h22 s TYR 153 Cb -0.16 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 3h22 s TYR 153 CO -0.04 0.03 1.55 -0.09 -1.11 0.00 0.00 175.55 175.89 3h22 h ARG 154 N 6.74 0.66 -1.34 -0.62 2.43 -2.02 -3.42 114.38 116.81 3h22 h ARG 154 Ca -0.34 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.58 3h22 h ARG 154 Cb 1.18 -0.05 -0.24 0.00 -0.42 0.00 0.00 29.97 30.43 3h22 h ARG 154 CO 0.66 0.78 -0.40 1.21 -1.51 0.00 0.00 179.97 180.71 3h22 s ASN 155 N -6.18 -0.73 0.13 -3.80 3.84 -1.26 -5.08 114.94 101.86 3h22 s ASN 155 Ca -0.13 0.29 -0.32 0.00 0.21 0.00 0.00 52.86 52.91 3h22 s ASN 155 Cb 0.09 1.69 -0.10 0.00 -0.55 0.00 0.00 41.25 42.38 3h22 s ASN 155 CO 0.79 -0.30 1.55 0.25 -2.79 0.00 0.00 177.10 176.60 3h22 h LEU 156 N 8.07 -1.77 -0.84 3.21 5.85 -1.99 0.13 115.31 127.98 3h22 h LEU 156 Ca -0.13 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3h22 h LEU 156 Cb 1.16 0.72 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 3h22 h LEU 156 CO 0.23 -0.42 -0.13 0.24 -0.34 0.00 0.00 178.44 178.02 3h22 h MET 157 N -0.44 0.73 -0.22 1.25 2.86 -1.98 0.21 114.93 117.34 3h22 h MET 157 Ca 0.07 -0.25 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 3h22 h MET 157 Cb 0.62 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 3h22 h MET 157 CO -0.55 0.83 -0.32 0.00 1.06 0.00 0.00 176.91 177.93 3h22 h ALA 158 N 1.20 0.34 -0.38 6.32 0.00 -1.93 -1.92 119.26 122.88 3h22 h ALA 158 Ca 0.11 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3h22 h ALA 158 Cb 0.60 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3h22 h ALA 158 CO 0.04 0.37 0.19 -0.44 0.00 0.00 0.00 179.25 179.41 3h22 h ASP 159 N 0.30 0.28 -0.60 0.00 3.32 -0.31 -0.10 116.42 119.30 3h22 h ASP 159 Ca 0.02 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3h22 h ASP 159 Cb 0.90 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 3h22 h ASP 159 CO 0.07 0.20 0.23 0.24 -1.72 0.00 0.00 179.24 178.27 3h22 h MET 160 N 0.39 0.95 -0.17 3.56 2.86 -0.54 0.17 114.93 122.14 3h22 h MET 160 Ca 0.16 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3h22 h MET 160 Cb 0.07 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3h22 h MET 160 CO -0.11 0.79 -0.13 0.82 1.06 0.00 0.00 176.91 179.34 3h22 h ILE 161 N 0.93 1.33 -0.50 -1.22 2.04 -1.24 0.22 117.51 119.07 3h22 h ILE 161 Ca 0.21 -1.25 0.10 0.00 1.00 0.00 0.00 64.86 64.92 3h22 h ILE 161 Cb 0.21 1.77 -0.10 0.00 -0.74 0.00 0.00 36.82 37.97 3h22 h ILE 161 CO -0.02 0.37 -0.26 0.00 0.00 0.00 0.00 178.15 178.24 3h22 h ALA 162 N 0.65 0.05 -0.48 1.87 0.00 -0.80 -0.75 119.26 119.79 3h22 h ALA 162 Ca 0.03 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h22 h ALA 162 Cb 0.64 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3h22 h ALA 162 CO 0.03 -0.61 0.28 -0.44 0.00 0.00 0.00 179.25 178.52 3h22 h ASP 163 N -0.15 0.58 -0.70 0.00 3.32 -0.43 -1.99 116.42 117.04 3h22 h ASP 163 Ca 0.22 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3h22 h ASP 163 Cb 0.50 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3h22 h ASP 163 CO -0.59 0.47 0.41 -0.07 -1.72 0.00 0.00 179.24 177.75 3h22 h LEU 164 N 0.64 0.86 -0.98 1.55 3.38 -0.31 -2.36 115.31 118.08 3h22 h LEU 164 Ca 0.17 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3h22 h LEU 164 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3h22 h LEU 164 CO -0.03 0.67 -0.29 0.22 0.09 0.00 0.00 178.44 179.10 3h22 h TYR 165 N 0.98 0.44 -0.97 1.13 3.20 -0.91 -1.48 116.97 119.37 3h22 h TYR 165 Ca 0.25 -0.10 0.10 0.00 3.14 0.00 0.00 58.73 62.13 3h22 h TYR 165 Cb -0.02 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.07 3h22 h TYR 165 CO 0.00 0.64 0.60 -0.44 -1.64 0.00 0.00 178.16 177.33 3h22 h ASP 166 N 0.34 0.91 -0.25 -2.11 3.32 -0.86 -0.93 116.42 116.84 3h22 h ASP 166 Ca 0.05 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3h22 h ASP 166 Cb 0.69 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3h22 h ASP 166 CO 0.05 0.53 -0.20 0.28 -1.72 0.00 0.00 179.24 178.18 3h22 h SER 167 N 1.01 0.60 -0.78 6.45 0.02 -1.07 -2.66 113.55 117.12 3h22 h SER 167 Ca 0.46 -0.45 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3h22 h SER 167 Cb 0.36 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 3h22 h SER 167 CO -0.23 0.93 0.49 0.40 -1.14 0.00 0.00 176.83 177.28 3h22 h ILE 168 N 0.29 1.10 -0.96 3.27 2.04 -1.03 -1.58 117.51 120.64 3h22 h ILE 168 Ca 0.05 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3h22 h ILE 168 Cb 0.74 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3h22 h ILE 168 CO 0.05 0.17 0.62 0.50 0.00 0.00 0.00 178.15 179.50 3h22 h LYS 169 N 0.95 1.27 -0.32 2.37 1.63 -1.08 -1.63 116.57 119.76 3h22 h LYS 169 Ca 0.31 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.97 3h22 h LYS 169 Cb 0.03 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 3h22 h LYS 169 CO -0.12 0.85 -0.04 0.82 -3.45 0.00 0.00 179.45 177.52 3h22 h ILE 170 N 1.30 1.27 -0.41 2.00 2.04 -1.02 0.27 117.51 122.96 3h22 h ILE 170 Ca 0.35 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 65.23 3h22 h ILE 170 Cb -0.13 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3h22 h ILE 170 CO -0.07 0.34 0.12 0.00 0.00 0.00 0.00 178.15 178.53 3h22 h ALA 171 N 0.82 0.47 0.01 1.87 0.00 -1.02 -2.20 119.26 119.21 3h22 h ALA 171 Ca 0.09 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3h22 h ALA 171 Cb 0.50 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3h22 h ALA 171 CO 0.02 -0.28 -0.97 0.87 0.00 0.00 0.00 179.25 178.90 3h22 h LYS 172 N 0.27 0.02 -0.09 0.00 1.57 -1.24 0.97 116.57 118.07 3h22 h LYS 172 Ca 0.19 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3h22 h LYS 172 Cb 0.20 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3h22 h LYS 172 CO -0.22 0.97 0.07 -0.44 -0.57 0.00 0.00 179.45 179.26 3h22 h ASP 173 N 0.01 0.00 -0.01 0.86 3.45 -0.80 -2.41 116.42 117.51 3h22 h ASP 173 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3h22 h ASP 173 Cb 1.70 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.47 3h22 h ASP 173 CO 0.13 0.00 -0.60 0.00 -1.57 0.00 0.00 179.24 177.20 3h22 n ALA 174 N -2.51 3.84 0.00 3.45 0.00 -0.84 -4.99 120.51 119.45 3h22 n ALA 174 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3h22 n ALA 174 Cb 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3h22 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h22 n GLY 175 N 1.42 1.03 3.68 0.00 0.00 -0.67 -4.59 105.19 106.07 3h22 n GLY 175 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 3h22 n GLY 175 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h22 n VAL 176 N -0.31 0.33 -2.51 1.61 0.31 0.25 -4.84 118.33 113.16 3h22 n VAL 176 Ca 0.00 -0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 3h22 n VAL 176 Cb 0.00 -1.93 -0.04 0.00 -0.91 0.00 0.00 33.84 30.96 3h22 n VAL 176 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3h22 s ARG 177 N 2.59 4.36 0.34 5.55 0.52 -1.26 -4.33 118.95 126.72 3h22 s ARG 177 Ca 0.83 1.63 0.11 0.00 -0.52 0.00 0.00 55.73 57.79 3h22 s ARG 177 Cb -0.57 -2.81 0.91 0.00 0.52 0.00 0.00 34.95 33.00 3h22 s ARG 177 CO 0.40 0.01 1.76 -0.44 0.02 0.00 0.00 175.30 177.05 3h22 h ASP 178 N 3.05 0.63 0.61 0.23 3.32 -1.97 0.29 116.42 122.58 3h22 h ASP 178 Ca -0.48 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.68 3h22 h ASP 178 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3h22 h ASP 178 CO 0.64 0.15 0.00 -0.62 -1.72 0.00 0.00 179.24 177.69 3h22 n GLU 179 N -4.76 0.06 -0.59 3.56 1.02 -1.26 -1.47 120.64 117.20 3h22 n GLU 179 Ca 0.25 0.29 0.10 0.00 -0.02 0.00 0.00 57.16 57.77 3h22 n GLU 179 Cb 0.73 -1.61 0.35 0.00 -0.02 0.00 0.00 31.44 30.89 3h22 n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h22 n ASN 180 N -1.73 4.67 -4.72 1.62 5.03 0.10 -4.88 115.26 115.36 3h22 n ASN 180 Ca 0.03 -2.42 -0.35 0.00 0.87 0.00 0.00 54.58 52.71 3h22 n ASN 180 Cb 0.20 -0.57 -0.08 0.00 -1.02 0.00 0.00 39.78 38.31 3h22 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h22 s ILE 181 N -1.79 5.17 -0.05 2.41 1.01 -0.54 -0.22 121.20 127.19 3h22 s ILE 181 Ca 0.50 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.28 3h22 s ILE 181 Cb 0.32 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.47 3h22 s ILE 181 CO 0.25 0.48 -0.13 -0.63 0.00 0.00 0.00 174.94 174.91 3h22 s ILE 182 N 0.11 1.12 0.17 2.92 1.01 -0.76 -4.34 121.20 121.44 3h22 s ILE 182 Ca 0.07 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.26 3h22 s ILE 182 Cb -0.12 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3h22 s ILE 182 CO -0.00 0.34 0.25 -0.76 0.00 0.00 0.00 174.94 174.77 3h22 s LEU 183 N 0.45 4.18 -0.05 2.97 1.43 0.06 -0.02 118.68 127.71 3h22 s LEU 183 Ca -0.10 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3h22 s LEU 183 Cb -0.14 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.36 3h22 s LEU 183 CO 0.03 0.04 0.12 -0.62 0.23 0.00 0.00 176.35 176.14 3h22 s ASP 184 N -3.33 -0.07 0.00 2.29 3.68 -1.09 -0.45 116.67 117.71 3h22 s ASP 184 Ca 0.33 0.23 0.19 0.00 2.13 0.00 0.00 52.55 55.44 3h22 s ASP 184 Cb -0.10 0.14 0.95 0.00 -1.45 0.00 0.00 42.92 42.45 3h22 s ASP 184 CO 0.27 -0.13 1.60 -0.81 0.13 0.00 0.00 175.17 176.24 3h22 n PRO 185 N 4.01 0.22 -3.41 4.34 -0.04 -1.26 -0.31 135.00 138.55 3h22 n PRO 185 Ca -0.24 0.12 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 3h22 n PRO 185 Cb 0.53 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.57 3h22 n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h22 n GLY 186 N 0.38 -0.36 3.66 0.55 0.00 -1.26 -4.54 105.19 103.62 3h22 n GLY 186 Ca 0.08 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3h22 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h22 s ILE 187 N -3.34 3.34 0.00 -0.61 -1.09 -1.26 -1.27 121.20 116.97 3h22 s ILE 187 Ca 0.13 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 3h22 s ILE 187 Cb -0.06 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 3h22 s ILE 187 CO 0.70 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 3h22 n GLY 188 N 4.24 0.44 3.01 6.18 0.00 -1.26 -4.75 105.19 113.05 3h22 n GLY 188 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 3h22 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h22 s PHE 189 N -2.00 1.78 -1.43 1.61 0.40 -0.40 -4.75 117.98 113.19 3h22 s PHE 189 Ca 0.00 -0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 55.40 3h22 s PHE 189 Cb 0.00 -1.33 0.05 0.00 0.51 0.00 0.00 43.02 42.25 3h22 s PHE 189 CO 0.00 -0.46 1.03 0.00 0.70 0.00 0.00 175.22 176.49 3h22 n ALA 190 N 4.34 -1.41 -3.26 5.36 0.00 -1.26 -4.78 120.51 119.50 3h22 n ALA 190 Ca -0.18 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 3h22 n ALA 190 Cb 0.51 -4.52 -0.13 0.00 0.00 0.00 0.00 19.45 15.31 3h22 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h22 s LYS 191 N -6.38 0.17 0.89 0.00 1.02 -1.26 -4.58 119.74 109.60 3h22 s LYS 191 Ca 0.54 0.29 -0.10 0.00 0.02 0.00 0.00 55.97 56.72 3h22 s LYS 191 Cb -0.26 0.01 0.13 0.00 -0.52 0.00 0.00 37.83 37.20 3h22 s LYS 191 CO 0.79 -0.07 1.14 0.95 -0.92 0.00 0.00 175.35 177.24 3h22 s THR 192 N 0.44 2.22 0.27 2.17 -4.23 -1.26 -4.82 115.64 110.43 3h22 s THR 192 Ca -0.03 0.07 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 3h22 s THR 192 Cb -0.04 -2.17 0.25 0.00 1.34 0.00 0.00 72.50 71.87 3h22 s THR 192 CO -0.02 -0.09 1.72 -0.65 -0.54 0.00 0.00 174.62 175.04 3h22 h PRO 193 N -1.72 0.46 0.00 3.99 0.11 -1.99 -1.75 132.00 131.09 3h22 h PRO 193 Ca -0.43 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3h22 h PRO 193 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3h22 h PRO 193 CO 0.43 0.30 -0.32 0.93 -0.21 0.00 0.00 178.00 179.13 3h22 h GLU 194 N 0.47 0.00 0.00 1.05 3.07 -1.98 -2.10 114.58 115.08 3h22 h GLU 194 Ca 0.48 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.25 3h22 h GLU 194 Cb 0.79 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 3h22 h GLU 194 CO -0.44 0.32 -0.42 1.96 -1.40 0.00 0.00 179.01 179.02 3h22 h GLN 195 N 0.00 0.00 -0.02 2.33 4.20 -1.69 -1.44 115.11 118.49 3h22 h GLN 195 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 3h22 h GLN 195 Cb 0.75 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 3h22 h GLN 195 CO 0.04 0.42 -0.86 -0.91 -0.67 0.00 0.00 178.83 176.86 3h22 h ASN 196 N 0.00 0.43 -0.23 1.46 2.35 -0.82 -0.89 115.58 117.88 3h22 h ASN 196 Ca -0.00 -0.33 -0.16 0.00 -0.55 0.00 0.00 56.30 55.26 3h22 h ASN 196 Cb 0.94 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3h22 h ASN 196 CO 0.06 1.11 -0.45 -0.07 -1.65 0.00 0.00 177.43 176.42 3h22 h LEU 197 N 0.20 0.86 -0.58 1.61 3.38 -1.34 -2.25 115.31 117.19 3h22 h LEU 197 Ca -0.05 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3h22 h LEU 197 Cb 1.47 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3h22 h LEU 197 CO 0.14 1.18 0.22 -0.08 0.09 0.00 0.00 178.44 179.99 3h22 h GLU 198 N 0.64 0.87 -0.49 1.13 4.81 -1.16 -0.81 114.58 119.57 3h22 h GLU 198 Ca 0.04 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 3h22 h GLU 198 Cb 1.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3h22 h GLU 198 CO 0.10 0.76 -0.12 0.00 -0.73 0.00 0.00 179.01 179.02 3h22 h ALA 199 N 1.07 0.67 -0.58 2.92 0.00 -1.13 -2.23 119.26 119.98 3h22 h ALA 199 Ca 0.19 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3h22 h ALA 199 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3h22 h ALA 199 CO -0.01 0.58 0.35 0.52 0.00 0.00 0.00 179.25 180.68 3h22 h MET 200 N 0.79 0.66 -0.16 0.00 2.86 -1.18 -0.85 114.93 117.05 3h22 h MET 200 Ca 0.12 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3h22 h MET 200 Cb 0.67 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 3h22 h MET 200 CO 0.05 0.44 -0.02 -0.09 1.06 0.00 0.00 176.91 178.35 3h22 h ARG 201 N 0.68 0.23 -0.21 1.72 2.43 -0.98 -3.12 114.38 115.13 3h22 h ARG 201 Ca 0.24 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3h22 h ARG 201 Cb 0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3h22 h ARG 201 CO -0.11 0.27 0.00 0.09 -1.51 0.00 0.00 179.97 178.71 3h22 n ASN 202 N -4.38 3.05 -0.32 -3.80 3.02 -0.85 -4.77 115.26 107.21 3h22 n ASN 202 Ca -0.01 -2.52 0.13 0.00 -0.03 0.00 0.00 54.58 52.15 3h22 n ASN 202 Cb 0.18 -0.34 0.36 0.00 -0.61 0.00 0.00 39.78 39.37 3h22 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h22 h LEU 203 N 1.35 0.70 -2.08 3.41 3.38 -1.10 -1.93 115.31 119.05 3h22 h LEU 203 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3h22 h LEU 203 Cb 0.99 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3h22 h LEU 203 CO 0.08 0.30 0.18 1.05 0.09 0.00 0.00 178.44 180.14 3h22 h GLU 204 N 0.71 0.00 0.00 1.13 9.09 -1.86 -1.92 114.58 121.73 3h22 h GLU 204 Ca 0.52 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.89 3h22 h GLU 204 Cb 0.87 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.96 3h22 h GLU 204 CO -0.29 0.00 -0.21 1.96 0.05 0.00 0.00 179.01 180.52 3h22 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.69 -2.31 115.11 116.37 3h22 h GLN 205 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3h22 h GLN 205 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3h22 h GLN 205 CO 0.00 0.21 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.15 3h22 h LEU 206 N 0.00 0.00 -2.36 1.46 3.38 -1.56 -3.06 115.31 113.16 3h22 h LEU 206 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h22 h LEU 206 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3h22 h LEU 206 CO 0.03 0.16 -0.04 0.78 0.09 0.00 0.00 178.44 179.46 3h22 h ASN 207 N 0.00 0.00 0.77 -0.43 2.35 -1.60 -2.30 115.58 114.38 3h22 h ASN 207 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h22 h ASN 207 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3h22 h ASN 207 CO 0.02 0.04 0.00 -0.37 -1.65 0.00 0.00 177.43 175.47 3h22 h VAL 208 N 0.00 0.00 0.00 2.81 -1.51 -1.73 -2.91 116.25 112.91 3h22 h VAL 208 Ca -0.00 -0.29 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 3h22 h VAL 208 Cb 0.17 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 3h22 h VAL 208 CO 0.00 0.00 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.23 3h22 h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.65 -3.47 115.31 117.76 3h22 h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h22 h LEU 209 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3h22 h LEU 209 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3h22 n GLY 210 N 0.52 0.64 3.48 0.83 0.00 -1.10 -5.09 105.19 104.46 3h22 n GLY 210 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3h22 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h22 s TYR 211 N -2.00 2.50 0.65 1.61 1.51 -1.26 -4.60 117.35 115.75 3h22 s TYR 211 Ca 0.00 -0.28 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 3h22 s TYR 211 Cb 0.00 -1.32 -0.05 0.00 -0.11 0.00 0.00 41.96 40.49 3h22 s TYR 211 CO 0.00 0.39 0.69 -2.30 -1.11 0.00 0.00 175.55 173.22 3h22 n PRO 212 N 0.73 0.52 -5.17 -1.71 -0.02 -1.26 -4.74 135.00 123.35 3h22 n PRO 212 Ca -0.15 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 3h22 n PRO 212 Cb 0.53 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.92 3h22 n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h22 s VAL 213 N -1.75 1.96 -0.17 -1.45 1.01 -1.26 -0.76 120.40 117.99 3h22 s VAL 213 Ca 0.70 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 3h22 s VAL 213 Cb -0.39 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3h22 s VAL 213 CO 0.53 0.54 0.05 -0.22 0.00 0.00 0.00 175.10 176.00 3h22 s LEU 214 N 0.25 3.75 -0.23 3.92 0.20 0.41 0.25 118.68 127.23 3h22 s LEU 214 Ca -0.15 0.08 -0.05 0.00 0.69 0.00 0.00 54.13 54.70 3h22 s LEU 214 Cb -0.17 -1.93 -0.02 0.00 -0.43 0.00 0.00 46.19 43.65 3h22 s LEU 214 CO 0.07 0.21 -0.01 -0.22 -0.29 0.00 0.00 176.35 176.11 3h22 s LEU 215 N 0.17 3.08 -0.34 -0.68 2.96 -0.33 -4.03 118.68 119.51 3h22 s LEU 215 Ca 0.04 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3h22 s LEU 215 Cb -0.12 -1.80 0.10 0.00 0.50 0.00 0.00 46.19 44.86 3h22 s LEU 215 CO 0.01 -0.01 0.05 -0.83 -1.32 0.00 0.00 176.35 174.25 3h22 s GLY 216 N 1.46 1.92 0.00 7.98 0.00 -1.26 -0.88 107.32 116.53 3h22 s GLY 216 Ca 0.05 -2.47 0.00 0.00 0.00 0.00 0.00 44.72 42.31 3h22 s GLY 216 CO -0.01 0.92 0.11 -1.30 0.00 0.00 0.00 173.10 172.83 3h22 n THR 217 N 4.31 0.00 -1.47 0.90 -2.24 -1.26 -4.43 114.28 110.09 3h22 n THR 217 Ca 0.02 -0.29 -0.48 0.00 -2.27 0.00 0.00 64.05 61.03 3h22 n THR 217 Cb 0.42 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 3h22 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h22 n SER 218 N -0.36 2.13 0.00 3.42 2.88 -1.25 -1.99 113.62 118.45 3h22 n SER 218 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 3h22 n SER 218 Cb 0.04 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 3h22 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h22 n ARG 219 N 8.36 0.00 -1.39 -1.46 1.74 -1.26 -4.86 116.66 117.79 3h22 n ARG 219 Ca 0.41 0.09 -0.32 0.00 -0.77 0.00 0.00 57.85 57.27 3h22 n ARG 219 Cb 0.27 -2.89 0.08 0.00 -1.02 0.00 0.00 32.46 28.90 3h22 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h22 s LYS 220 N -0.46 2.41 0.56 5.56 1.02 -0.84 -4.83 119.74 123.16 3h22 s LYS 220 Ca 0.00 1.22 0.33 0.00 0.02 0.00 0.00 55.97 57.54 3h22 s LYS 220 Cb 0.00 -1.91 1.58 0.00 -0.52 0.00 0.00 37.83 36.97 3h22 s LYS 220 CO 0.00 -1.53 2.08 0.66 -0.92 0.00 0.00 175.35 175.64 3h22 h SER 221 N -0.82 0.00 0.47 2.83 4.64 -1.94 -1.51 113.55 117.21 3h22 h SER 221 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h22 h SER 221 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3h22 h SER 221 CO 0.52 0.06 0.00 2.19 -0.87 0.00 0.00 176.83 178.73 3h22 h PHE 222 N 0.00 0.00 0.16 4.77 -5.15 -1.94 0.25 116.94 115.03 3h22 h PHE 222 Ca -0.00 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 57.51 3h22 h PHE 222 Cb 0.38 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.58 3h22 h PHE 222 CO 0.00 0.00 -1.10 0.82 -2.00 0.00 0.00 178.31 176.03 3h22 h ILE 223 N 0.00 1.38 -0.88 0.88 2.04 -1.61 -2.85 117.51 116.47 3h22 h ILE 223 Ca 0.00 -2.53 0.09 0.00 1.00 0.00 0.00 64.86 63.43 3h22 h ILE 223 Cb 0.24 2.99 -0.06 0.00 -0.74 0.00 0.00 36.82 39.24 3h22 h ILE 223 CO 0.00 0.74 0.57 1.23 0.00 0.00 0.00 178.15 180.69 3h22 h GLY 224 N -0.04 1.25 1.23 5.37 0.00 -1.31 0.83 103.07 110.39 3h22 h GLY 224 Ca -0.18 -0.36 -0.20 0.00 0.00 0.00 0.00 47.33 46.58 3h22 h GLY 224 CO 0.21 0.21 -0.67 0.84 0.00 0.00 0.00 176.54 177.13 3h22 h HIS 225 N 0.87 1.02 -0.03 5.60 -0.00 -1.00 0.22 115.15 121.84 3h22 h HIS 225 Ca 0.40 -0.41 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3h22 h HIS 225 Cb 0.39 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.63 3h22 h HIS 225 CO -0.00 1.23 -0.02 0.28 -0.00 0.00 0.00 177.93 179.42 3h22 h VAL 226 N 0.57 1.37 0.00 5.26 2.07 -1.23 -3.34 116.25 120.95 3h22 h VAL 226 Ca -0.02 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3h22 h VAL 226 Cb 1.28 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3h22 h VAL 226 CO 0.14 0.30 -0.44 0.18 0.02 0.00 0.00 177.57 177.77 3h22 n LEU 227 N -4.81 0.58 -3.74 2.57 4.77 0.25 -4.96 117.00 111.66 3h22 n LEU 227 Ca -0.08 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 3h22 n LEU 227 Cb 0.26 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3h22 n LEU 227 CO 0.34 -0.01 0.03 -0.67 -1.33 0.00 0.00 177.39 175.75 3h22 n ASP 228 N -1.89 -2.79 -4.03 -1.43 2.03 0.76 -5.03 116.55 104.16 3h22 n ASP 228 Ca 0.05 -0.77 -0.18 0.00 0.52 0.00 0.00 54.79 54.40 3h22 n ASP 228 Cb 0.40 -4.16 -0.14 0.00 -0.72 0.00 0.00 41.12 36.49 3h22 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h22 s LEU 229 N -6.90 2.04 0.91 -2.67 1.43 -1.17 -5.06 118.68 107.26 3h22 s LEU 229 Ca 0.26 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 3h22 s LEU 229 Cb -0.13 -0.45 0.14 0.00 0.03 0.00 0.00 46.19 45.78 3h22 s LEU 229 CO 0.81 0.08 1.15 -2.16 0.23 0.00 0.00 176.35 176.46 3h22 s PRO 230 N -0.37 1.17 0.28 1.29 0.04 -1.26 -4.36 135.00 131.78 3h22 s PRO 230 Ca 0.02 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.27 3h22 s PRO 230 Cb -0.04 -1.85 0.65 0.00 0.04 0.00 0.00 34.50 33.30 3h22 s PRO 230 CO -0.00 -2.16 1.65 -0.24 0.04 0.00 0.00 177.00 176.29 3h22 h VAL 231 N -1.47 0.35 0.00 -0.36 3.04 -1.97 0.17 116.25 116.01 3h22 h VAL 231 Ca -0.49 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3h22 h VAL 231 Cb 1.32 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3h22 h VAL 231 CO 0.60 0.04 0.00 -1.84 -1.01 0.00 0.00 177.57 175.36 3h22 n GLU 232 N -5.22 0.18 -0.69 4.17 0.00 -1.26 -3.18 120.64 114.64 3h22 n GLU 232 Ca 0.20 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.50 3h22 n GLU 232 Cb 0.63 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.81 3h22 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h22 n GLU 233 N -1.34 2.59 -0.61 3.44 -0.58 0.59 -4.70 120.64 120.03 3h22 n GLU 233 Ca 0.07 -3.01 0.04 0.00 -0.42 0.00 0.00 57.16 53.85 3h22 n GLU 233 Cb 0.15 -1.90 0.27 0.00 -0.57 0.00 0.00 31.44 29.39 3h22 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h22 n ARG 234 N -0.73 3.00 -0.10 3.49 1.74 -1.19 -4.71 116.66 118.16 3h22 n ARG 234 Ca 0.30 -2.96 -0.12 0.00 -0.77 0.00 0.00 57.85 54.31 3h22 n ARG 234 Cb 1.05 -1.92 -0.04 0.00 -1.02 0.00 0.00 32.46 30.53 3h22 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h22 h LEU 235 N 1.95 0.67 -0.10 0.55 6.46 -1.87 -1.31 115.31 121.67 3h22 h LEU 235 Ca 0.07 -0.41 -0.17 0.00 -0.12 0.00 0.00 57.88 57.25 3h22 h LEU 235 Cb 1.64 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 41.40 3h22 h LEU 235 CO 0.34 0.93 -0.60 -0.33 -0.62 0.00 0.00 178.44 178.17 3h22 h GLU 236 N 0.41 0.58 -0.52 1.25 3.07 -1.99 -1.75 114.58 115.63 3h22 h GLU 236 Ca 0.07 -0.49 0.09 0.00 -0.50 0.00 0.00 59.36 58.52 3h22 h GLU 236 Cb 0.68 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.63 3h22 h GLU 236 CO 0.05 1.12 0.12 0.78 -1.40 0.00 0.00 179.01 179.67 3h22 h GLY 237 N 0.20 0.66 0.98 -3.84 0.00 -1.88 -2.13 103.07 97.06 3h22 h GLY 237 Ca -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3h22 h GLY 237 CO 0.12 -0.07 0.24 -0.84 0.00 0.00 0.00 176.54 176.00 3h22 h THR 238 N 0.26 1.20 -0.98 4.70 2.02 -1.09 -2.07 112.91 116.94 3h22 h THR 238 Ca 0.26 -0.58 0.17 0.00 0.77 0.00 0.00 66.41 67.03 3h22 h THR 238 Cb 0.35 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 67.29 3h22 h THR 238 CO -0.33 0.23 0.61 1.23 0.37 0.00 0.00 175.52 177.63 3h22 h GLY 239 N 0.70 1.59 1.02 2.16 0.00 -1.21 -1.30 103.07 106.03 3h22 h GLY 239 Ca 0.18 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3h22 h GLY 239 CO -0.02 0.01 -0.12 0.00 0.00 0.00 0.00 176.54 176.41 3h22 h ALA 240 N 1.61 0.60 -0.55 3.60 0.00 -0.68 -1.46 119.26 122.39 3h22 h ALA 240 Ca 0.54 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3h22 h ALA 240 Cb 0.82 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h22 h ALA 240 CO -0.31 0.50 0.18 1.79 0.00 0.00 0.00 179.25 181.42 3h22 h THR 241 N 0.68 1.23 -0.25 0.00 1.35 -1.23 -0.86 112.91 113.84 3h22 h THR 241 Ca 0.11 -0.77 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 3h22 h THR 241 Cb 0.66 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 3h22 h THR 241 CO 0.05 0.29 0.13 0.58 -0.25 0.00 0.00 175.52 176.31 3h22 h VAL 242 N 0.75 1.00 -0.03 6.82 2.07 -1.20 0.24 116.25 125.90 3h22 h VAL 242 Ca 0.18 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3h22 h VAL 242 Cb 0.26 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3h22 h VAL 242 CO -0.01 0.05 -0.11 0.00 0.02 0.00 0.00 177.57 177.52 3h22 h LEU 244 N -0.17 0.92 -1.12 0.00 5.85 -0.86 -1.63 115.31 118.30 3h22 h LEU 244 Ca 0.05 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 3h22 h LEU 244 Cb 0.24 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3h22 h LEU 244 CO -0.14 0.95 -0.19 1.23 -0.34 0.00 0.00 178.44 179.96 3h22 h GLY 245 N 1.01 0.42 0.71 3.75 0.00 -0.31 -1.93 103.07 106.72 3h22 h GLY 245 Ca 0.18 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3h22 h GLY 245 CO 0.02 0.28 -0.34 -2.22 0.00 0.00 0.00 176.54 174.28 3h22 h ILE 246 N 0.36 1.42 -0.00 2.60 2.04 -0.97 -2.09 117.51 120.86 3h22 h ILE 246 Ca 0.06 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.19 3h22 h ILE 246 Cb 0.54 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 3h22 h ILE 246 CO 0.04 0.50 0.04 -0.08 0.00 0.00 0.00 178.15 178.64 3h22 h GLU 247 N -0.12 0.00 -0.33 2.37 4.22 -1.11 -0.52 114.58 119.09 3h22 h GLU 247 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3h22 h GLU 247 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3h22 h GLU 247 CO 0.07 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.53 3h22 n LYS 248 N -3.09 2.19 -0.25 1.92 5.02 -0.74 -4.96 118.16 118.25 3h22 n LYS 248 Ca -0.03 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 3h22 n LYS 248 Cb 0.11 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3h22 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h22 n GLY 249 N 1.35 0.85 3.83 0.72 0.00 -0.20 -4.18 105.19 107.56 3h22 n GLY 249 Ca 0.18 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3h22 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h22 n GLU 251 N -2.07 1.27 -4.30 0.00 4.71 0.14 -4.79 120.64 115.60 3h22 n GLU 251 Ca 0.07 -0.04 -0.21 0.00 -0.01 0.00 0.00 57.16 56.97 3h22 n GLU 251 Cb 0.53 -1.39 -0.13 0.00 -1.01 0.00 0.00 31.44 29.44 3h22 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h22 s PHE 252 N -2.55 1.44 -0.02 -0.32 0.40 -0.85 -1.67 117.98 114.41 3h22 s PHE 252 Ca -0.07 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3h22 s PHE 252 Cb 0.06 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 3h22 s PHE 252 CO 0.64 0.09 -0.20 0.14 0.70 0.00 0.00 175.22 176.60 3h22 s VAL 253 N -1.08 1.56 -0.35 -0.44 -7.23 -0.65 -1.19 120.40 111.02 3h22 s VAL 253 Ca 0.02 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.23 3h22 s VAL 253 Cb -0.09 -1.31 -0.00 0.00 0.56 0.00 0.00 36.38 35.53 3h22 s VAL 253 CO 0.02 0.44 0.23 -0.60 -0.31 0.00 0.00 175.10 174.89 3h22 s ARG 254 N -0.37 3.30 0.01 4.82 3.52 -0.06 -0.64 118.95 129.54 3h22 s ARG 254 Ca 0.05 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 3h22 s ARG 254 Cb -0.09 -3.78 -0.01 0.00 -1.56 0.00 0.00 34.95 29.52 3h22 s ARG 254 CO -0.00 -0.52 -0.03 0.14 -0.81 0.00 0.00 175.30 174.08 3h22 s VAL 255 N 1.68 0.23 0.06 7.11 -7.23 -0.16 -3.93 120.40 118.16 3h22 s VAL 255 Ca 0.05 -0.45 -0.07 0.00 -1.81 0.00 0.00 61.98 59.70 3h22 s VAL 255 Cb -0.18 -0.26 -0.30 0.00 0.56 0.00 0.00 36.38 36.20 3h22 s VAL 255 CO 0.09 -0.15 1.10 0.45 -0.31 0.00 0.00 175.10 176.29 3h22 h HIS 256 N 5.49 0.61 -2.72 2.82 3.86 -1.88 -1.74 115.15 121.59 3h22 h HIS 256 Ca -0.29 -0.45 -0.79 0.00 -1.16 0.00 0.00 60.37 57.69 3h22 h HIS 256 Cb 1.20 -0.02 -0.24 0.00 1.06 0.00 0.00 27.41 29.41 3h22 h HIS 256 CO 0.51 1.35 1.00 -0.25 0.86 0.00 0.00 177.93 181.40 3h22 n ASP 257 N -3.57 5.71 -0.13 2.45 9.92 -1.26 -4.78 116.55 124.88 3h22 n ASP 257 Ca -0.11 -3.17 -0.05 0.00 -0.53 0.00 0.00 54.79 50.94 3h22 n ASP 257 Cb 1.04 -1.39 0.04 0.00 -0.64 0.00 0.00 41.12 40.17 3h22 n ASP 257 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3h22 h VAL 258 N 3.75 0.86 -0.06 2.53 2.07 -1.95 -1.38 116.25 122.08 3h22 h VAL 258 Ca 0.25 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 3h22 h VAL 258 Cb 0.74 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3h22 h VAL 258 CO 1.27 0.06 0.03 0.50 0.02 0.00 0.00 177.57 179.45 3h22 h LYS 259 N 0.31 0.08 -0.05 1.57 3.64 -1.89 -0.75 116.57 119.47 3h22 h LYS 259 Ca 0.20 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3h22 h LYS 259 Cb 0.19 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3h22 h LYS 259 CO -0.21 0.14 -0.01 0.93 -2.27 0.00 0.00 179.45 178.03 3h22 h GLU 260 N -0.00 0.09 0.00 1.90 3.07 -1.90 -2.84 114.58 114.90 3h22 h GLU 260 Ca 0.02 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 3h22 h GLU 260 Cb 0.08 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3h22 h GLU 260 CO -0.00 0.42 -0.22 0.52 -1.40 0.00 0.00 179.01 178.32 3h22 h MET 261 N -0.24 0.00 -0.14 2.33 2.86 -1.20 -2.22 114.93 116.32 3h22 h MET 261 Ca 0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 3h22 h MET 261 Cb 0.38 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3h22 h MET 261 CO 0.00 0.22 -0.13 0.77 1.06 0.00 0.00 176.91 178.83 3h22 h SER 262 N 0.00 0.36 -0.65 1.22 0.02 -1.11 -0.68 113.55 112.70 3h22 h SER 262 Ca -0.00 -0.48 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 3h22 h SER 262 Cb 0.64 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 3h22 h SER 262 CO 0.03 0.76 0.37 0.03 -1.14 0.00 0.00 176.83 176.88 3h22 h ARG 263 N -0.04 0.68 -0.26 3.45 3.08 -1.35 -1.02 114.38 118.93 3h22 h ARG 263 Ca 0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3h22 h ARG 263 Cb 0.66 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3h22 h ARG 263 CO 0.03 0.45 0.03 0.52 -1.07 0.00 0.00 179.97 179.93 3h22 h MET 264 N 0.70 0.44 -0.75 0.04 2.86 -1.37 -1.67 114.93 115.19 3h22 h MET 264 Ca 0.28 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3h22 h MET 264 Cb 0.14 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 3h22 h MET 264 CO -0.16 0.58 0.36 0.00 1.06 0.00 0.00 176.91 178.75 3h22 h ALA 265 N 0.84 1.24 -0.71 6.32 0.00 -1.10 -1.32 119.26 124.53 3h22 h ALA 265 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3h22 h ALA 265 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3h22 h ALA 265 CO 0.01 0.59 0.38 -0.22 0.00 0.00 0.00 179.25 180.01 3h22 h LYS 266 N 1.06 0.99 0.04 0.00 3.64 -1.04 -1.20 116.57 120.07 3h22 h LYS 266 Ca 0.26 -0.12 -0.25 0.00 -1.27 0.00 0.00 60.65 59.27 3h22 h LYS 266 Cb 0.10 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3h22 h LYS 266 CO -0.03 0.75 -1.00 1.98 -2.27 0.00 0.00 179.45 178.87 3h22 h MET 267 N 0.98 0.62 -0.06 1.90 4.05 -0.93 -2.69 114.93 118.80 3h22 h MET 267 Ca 0.25 -0.71 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 3h22 h MET 267 Cb 0.05 0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 3h22 h MET 267 CO -0.04 1.30 -0.18 0.52 0.23 0.00 0.00 176.91 178.74 3h22 h MET 268 N 0.24 -0.18 -0.79 0.39 2.86 -1.21 -1.42 114.93 114.82 3h22 h MET 268 Ca -0.14 0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.73 3h22 h MET 268 Cb 1.68 0.04 -0.15 0.00 0.06 0.00 0.00 31.60 33.23 3h22 h MET 268 CO 0.20 -0.12 0.01 -0.25 1.06 0.00 0.00 176.91 177.81 3h22 n ASP 269 N -3.54 -0.10 -0.11 1.22 10.43 -0.46 -0.32 116.55 123.68 3h22 n ASP 269 Ca -0.02 1.34 -0.13 0.00 2.57 0.00 0.00 54.79 58.55 3h22 n ASP 269 Cb 0.13 -0.49 -0.02 0.00 1.84 0.00 0.00 41.12 42.58 3h22 n ASP 269 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h22 h ALA 270 N 1.58 0.57 0.17 2.24 0.00 -1.10 0.03 119.26 122.75 3h22 h ALA 270 Ca 0.48 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h22 h ALA 270 Cb 0.97 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h22 h ALA 270 CO -0.74 0.68 -0.08 0.52 0.00 0.00 0.00 179.25 179.62 3h22 h MET 271 N 0.75 -0.22 0.00 0.00 2.86 0.41 -3.24 114.93 115.49 3h22 h MET 271 Ca 0.05 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3h22 h MET 271 Cb 1.00 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.71 3h22 h MET 271 CO 0.10 0.17 0.00 -0.84 1.06 0.00 0.00 176.91 177.40 3h22 h ILE 272 N -0.67 0.00 0.00 -1.22 3.07 -0.73 -3.46 117.51 114.50 3h22 h ILE 272 Ca -0.02 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.96 3h22 h ILE 272 Cb 0.49 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3h22 h ILE 272 CO 0.04 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.75 3h22 n GLY 273 N -0.02 1.23 0.00 0.16 0.00 -0.51 -5.07 105.19 101.00 3h22 n GLY 273 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3h22 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49