#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h26 s TRP 3 N 0.00 3.44 -2.02 2.13 0.52 -1.26 -4.94 118.94 116.82 3h26 s TRP 3 Ca 0.00 1.26 0.07 0.00 0.02 0.00 0.00 56.10 57.45 3h26 s TRP 3 Cb 0.00 -2.99 0.35 0.00 -1.15 0.00 0.00 33.47 29.68 3h26 s TRP 3 CO 0.00 -0.20 1.24 -0.40 0.02 0.00 0.00 176.95 177.61 3h26 n ASP 4 N 5.03 0.37 -4.12 2.95 3.85 -1.26 -4.82 116.55 118.55 3h26 n ASP 4 Ca 0.04 -1.84 -0.10 0.00 -0.71 0.00 0.00 54.79 52.17 3h26 n ASP 4 Cb 0.49 -0.04 -0.09 0.00 -1.35 0.00 0.00 41.12 40.13 3h26 n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3h26 s TYR 5 N -1.92 0.85 0.24 2.11 -0.85 -1.26 -5.18 117.35 111.35 3h26 s TYR 5 Ca 0.12 -1.16 0.07 0.00 -0.52 0.00 0.00 57.07 55.57 3h26 s TYR 5 Cb 0.06 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 3h26 s TYR 5 CO 0.09 -0.65 0.19 -0.51 -1.52 0.00 0.00 175.55 173.15 3h26 s ASP 6 N -3.08 5.54 -0.51 -0.18 1.01 -1.26 -4.66 116.67 113.53 3h26 s ASP 6 Ca 0.29 -0.23 -0.24 0.00 0.71 0.00 0.00 52.55 53.07 3h26 s ASP 6 Cb 0.06 -1.42 0.04 0.00 1.01 0.00 0.00 42.92 42.61 3h26 s ASP 6 CO 0.06 -0.02 0.91 -0.22 0.21 0.00 0.00 175.17 176.11 3h26 s LEU 7 N -3.75 4.11 -0.39 1.23 1.98 0.11 -4.94 118.68 117.04 3h26 s LEU 7 Ca 0.33 -0.20 -0.24 0.00 -2.89 0.00 0.00 54.13 51.12 3h26 s LEU 7 Cb -0.08 -2.94 0.02 0.00 0.66 0.00 0.00 46.19 43.85 3h26 s LEU 7 CO 0.25 -1.13 0.86 -0.13 -1.89 0.00 0.00 176.35 174.30 3h26 s ARG 8 N 3.79 3.73 -0.46 1.98 1.81 -1.26 -0.92 118.95 127.62 3h26 s ARG 8 Ca 0.32 0.36 0.05 0.00 -1.72 0.00 0.00 55.73 54.73 3h26 s ARG 8 Cb -0.12 -3.83 0.42 0.00 -0.45 0.00 0.00 34.95 30.97 3h26 s ARG 8 CO 0.21 -0.96 1.22 0.00 -0.68 0.00 0.00 175.30 175.09 3h26 n GLY 10 N -0.53 0.91 0.36 0.00 0.00 -1.26 -1.88 105.19 102.79 3h26 n GLY 10 Ca 0.42 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.88 3h26 n GLY 10 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h26 h GLU 11 N 0.00 1.12 -6.24 1.61 4.81 -2.02 -3.44 114.58 110.43 3h26 h GLU 11 Ca 0.00 -0.07 -0.60 0.00 -0.13 0.00 0.00 59.36 58.56 3h26 h GLU 11 Cb 0.00 -0.25 -0.09 0.00 0.63 0.00 0.00 28.75 29.04 3h26 h GLU 11 CO 0.00 0.74 -0.60 0.71 -0.73 0.00 0.00 179.01 179.13 3h26 s TYR 12 N -5.97 3.07 -0.04 0.92 1.51 -0.79 -5.13 117.35 110.93 3h26 s TYR 12 Ca -0.12 -0.03 0.04 0.00 -1.01 0.00 0.00 57.07 55.95 3h26 s TYR 12 Cb 0.18 -1.51 -0.00 0.00 -0.11 0.00 0.00 41.96 40.53 3h26 s TYR 12 CO 0.80 0.51 -0.15 0.99 -1.11 0.00 0.00 175.55 176.60 3h26 s THR 13 N -1.62 1.23 -0.25 -0.71 2.01 -1.26 -0.46 115.64 114.57 3h26 s THR 13 Ca 0.29 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3h26 s THR 13 Cb -0.10 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.36 3h26 s THR 13 CO 0.21 0.36 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.68 3h26 s LEU 14 N 0.12 3.15 0.14 4.42 1.43 -0.09 -4.97 118.68 122.88 3h26 s LEU 14 Ca -0.04 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 3h26 s LEU 14 Cb -0.11 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.38 3h26 s LEU 14 CO 0.02 -0.12 0.97 0.21 0.23 0.00 0.00 176.35 177.66 3h26 s ASN 15 N 1.33 7.51 0.00 2.29 3.04 -1.26 -0.71 114.94 127.15 3h26 s ASN 15 Ca 0.01 1.85 0.19 0.00 0.04 0.00 0.00 52.86 54.94 3h26 s ASN 15 Cb -0.16 -2.59 0.32 0.00 -1.54 0.00 0.00 41.25 37.28 3h26 s ASN 15 CO -0.05 -0.03 1.26 0.18 -3.04 0.00 0.00 177.10 175.42 3h26 n LEU 16 N 2.50 3.06 -0.03 3.21 4.77 -1.26 -4.34 117.00 124.91 3h26 n LEU 16 Ca 0.01 -1.46 0.02 0.00 -0.03 0.00 0.00 56.01 54.56 3h26 n LEU 16 Cb 0.49 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 3h26 n LEU 16 CO 0.51 0.66 -0.80 0.59 -1.33 0.00 0.00 177.39 177.02 3h26 n ASN 17 N 1.16 1.39 0.19 -1.43 3.02 -1.26 -4.69 115.26 113.64 3h26 n ASN 17 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.58 3h26 n ASN 17 Cb 0.51 1.39 -0.07 0.00 -0.61 0.00 0.00 39.78 41.01 3h26 n ASN 17 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3h26 h GLU 18 N 0.00 -0.50 -3.75 3.52 5.08 -1.82 -3.45 114.58 113.66 3h26 h GLU 18 Ca -0.15 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 3h26 h GLU 18 Cb 1.18 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.41 3h26 h GLU 18 CO 0.01 -0.20 -0.26 -1.59 -1.00 0.00 0.00 179.01 175.97 3h26 s LYS 19 N -4.19 1.11 0.04 2.33 -2.85 -1.26 -4.81 119.74 110.10 3h26 s LYS 19 Ca -0.13 -1.04 -0.30 0.00 -1.00 0.00 0.00 55.97 53.50 3h26 s LYS 19 Cb 0.01 0.40 -0.07 0.00 -2.06 0.00 0.00 37.83 36.11 3h26 s LYS 19 CO 0.45 -0.41 1.57 0.99 0.10 0.00 0.00 175.35 178.05 3h26 s THR 20 N -3.92 3.30 0.14 3.79 2.01 -1.26 -4.82 115.64 114.88 3h26 s THR 20 Ca 0.12 0.70 -0.25 0.00 0.31 0.00 0.00 61.69 62.57 3h26 s THR 20 Cb 0.03 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 3h26 s THR 20 CO -0.04 -0.01 0.78 -0.76 -0.69 0.00 0.00 174.62 173.90 3h26 s LEU 21 N 2.68 4.56 -0.27 4.42 1.43 -0.23 -4.94 118.68 126.33 3h26 s LEU 21 Ca 0.71 1.61 -0.07 0.00 -1.03 0.00 0.00 54.13 55.34 3h26 s LEU 21 Cb -0.36 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3h26 s LEU 21 CO 0.30 0.16 0.08 -0.63 0.23 0.00 0.00 176.35 176.49 3h26 s ILE 22 N -0.86 4.24 -0.30 -0.59 -1.09 -1.26 -1.47 121.20 119.87 3h26 s ILE 22 Ca 0.37 -0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 58.31 3h26 s ILE 22 Cb -0.23 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.57 3h26 s ILE 22 CO 0.26 0.24 0.35 -0.32 -1.23 0.00 0.00 174.94 174.24 3h26 s MET 23 N 1.58 3.86 -0.11 2.79 -2.45 0.82 -0.15 119.30 125.65 3h26 s MET 23 Ca 0.05 -0.15 -0.20 0.00 -1.25 0.00 0.00 55.69 54.14 3h26 s MET 23 Cb -0.16 -3.71 -0.04 0.00 1.25 0.00 0.00 34.83 32.18 3h26 s MET 23 CO 0.03 -0.35 0.56 0.20 1.05 0.00 0.00 175.02 176.51 3h26 s GLY 24 N 1.69 2.43 -0.49 2.11 0.00 -0.07 -0.59 107.32 112.40 3h26 s GLY 24 Ca 0.13 -0.10 -0.28 0.00 0.00 0.00 0.00 44.72 44.46 3h26 s GLY 24 CO 0.11 0.94 1.10 -0.42 0.00 0.00 0.00 173.10 174.83 3h26 s ILE 25 N 0.80 4.23 -0.14 0.90 1.01 -0.35 -0.87 121.20 126.79 3h26 s ILE 25 Ca 0.30 1.09 -0.29 0.00 0.00 0.00 0.00 60.65 61.74 3h26 s ILE 25 Cb -0.16 -4.59 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 3h26 s ILE 25 CO 0.13 -1.02 1.26 -0.22 0.00 0.00 0.00 174.94 175.09 3h26 s LEU 26 N 4.38 4.21 -0.23 2.97 2.96 -0.54 -4.85 118.68 127.57 3h26 s LEU 26 Ca 0.45 1.74 -0.14 0.00 -0.22 0.00 0.00 54.13 55.96 3h26 s LEU 26 Cb -0.08 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.03 3h26 s LEU 26 CO 0.30 -0.72 0.31 0.54 -1.32 0.00 0.00 176.35 175.46 3h26 s ASN 27 N 1.89 6.28 -0.55 3.68 4.22 -1.26 -4.71 114.94 124.47 3h26 s ASN 27 Ca 0.55 0.32 -0.04 0.00 -2.14 0.00 0.00 52.86 51.55 3h26 s ASN 27 Cb -0.23 -2.18 0.14 0.00 1.28 0.00 0.00 41.25 40.26 3h26 s ASN 27 CO 0.17 -0.05 0.38 0.68 -2.04 0.00 0.00 177.10 176.23 3h26 s VAL 28 N 1.41 3.72 -0.61 3.54 -7.23 -1.26 -4.76 120.40 115.21 3h26 s VAL 28 Ca 0.14 -2.56 -0.28 0.00 -1.81 0.00 0.00 61.98 57.48 3h26 s VAL 28 Cb -0.15 -3.45 0.02 0.00 0.56 0.00 0.00 36.38 33.36 3h26 s VAL 28 CO 0.07 -0.82 1.41 -0.89 -0.31 0.00 0.00 175.10 174.56 3h26 s THR 29 N 0.44 3.75 0.21 5.32 2.01 -1.26 -4.97 115.64 121.15 3h26 s THR 29 Ca 0.13 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 3h26 s THR 29 Cb -0.21 -4.52 -0.08 0.00 0.01 0.00 0.00 72.50 67.69 3h26 s THR 29 CO -0.04 -1.31 1.01 -2.16 -0.69 0.00 0.00 174.62 171.44 3h26 s PRO 30 N 5.64 4.73 -0.09 4.92 0.05 -1.26 -4.73 135.00 144.26 3h26 s PRO 30 Ca 0.49 1.60 -0.31 0.00 0.05 0.00 0.00 61.00 62.83 3h26 s PRO 30 Cb -0.10 -3.28 -0.09 0.00 0.05 0.00 0.00 34.50 31.08 3h26 s PRO 30 CO 0.22 0.31 2.02 -3.47 0.05 0.00 0.00 177.00 176.13 3h26 n ASP 31 N 1.84 3.57 0.00 6.66 -0.08 -1.26 -4.80 116.55 122.48 3h26 n ASP 31 Ca -0.00 0.73 0.04 0.00 -1.51 0.00 0.00 54.79 54.05 3h26 n ASP 31 Cb 0.47 -1.46 0.19 0.00 2.34 0.00 0.00 41.12 42.66 3h26 n ASP 31 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3h26 n SER 32 N 8.35 0.00 -0.09 1.67 7.64 -1.26 -3.50 113.62 126.44 3h26 n SER 32 Ca 0.25 0.22 -0.11 0.00 1.01 0.00 0.00 58.87 60.24 3h26 n SER 32 Cb 0.36 -0.32 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 3h26 n SER 32 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3h26 n PHE 33 N -1.32 0.00 -2.95 1.43 3.01 -1.26 -5.01 117.46 111.36 3h26 n PHE 33 Ca 0.03 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.31 3h26 n PHE 33 Cb 0.07 -0.78 0.02 0.00 -0.01 0.00 0.00 39.48 38.78 3h26 n PHE 33 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3h26 s SER 34 N -5.42 5.50 0.15 4.37 1.04 -1.23 -5.01 113.70 113.11 3h26 s SER 34 Ca -0.17 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 55.89 3h26 s SER 34 Cb 0.06 -0.54 -0.08 0.00 0.10 0.00 0.00 66.02 65.56 3h26 s SER 34 CO 0.57 -0.92 1.34 0.44 0.98 0.00 0.00 173.24 175.65 3h26 h ASP 35 N 0.47 0.11 -0.80 7.02 3.32 -1.95 -3.46 116.42 121.13 3h26 h ASP 35 Ca -0.39 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3h26 h ASP 35 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3h26 h ASP 35 CO 0.45 0.98 0.00 0.61 -1.72 0.00 0.00 179.24 179.56 3h26 n GLY 36 N 1.07 3.55 0.56 2.75 0.00 -1.26 -4.10 105.19 107.77 3h26 n GLY 36 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3h26 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h26 n GLY 37 N -1.20 2.33 3.70 -0.02 0.00 -1.25 -4.87 105.19 103.88 3h26 n GLY 37 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3h26 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h26 s SER 38 N -1.48 3.38 0.17 1.61 1.04 -1.26 -4.85 113.70 112.30 3h26 s SER 38 Ca 0.00 2.10 -0.14 0.00 0.48 0.00 0.00 55.95 58.39 3h26 s SER 38 Cb 0.00 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.62 3h26 s SER 38 CO 0.00 -2.80 1.81 0.22 0.98 0.00 0.00 173.24 173.45 3h26 h TYR 39 N -1.63 0.67 -0.17 5.02 3.20 -1.99 -3.05 116.97 119.02 3h26 h TYR 39 Ca -0.43 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 3h26 h TYR 39 Cb 1.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3h26 h TYR 39 CO 0.52 0.45 0.04 -0.91 -1.64 0.00 0.00 178.16 176.63 3h26 h ASN 40 N 0.69 0.26 -0.44 -2.11 2.35 -1.98 0.91 115.58 115.26 3h26 h ASN 40 Ca 0.19 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.57 3h26 h ASN 40 Cb -0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3h26 h ASN 40 CO -0.04 0.43 -0.22 1.05 -1.65 0.00 0.00 177.43 177.00 3h26 h GLU 41 N 0.09 0.95 -0.11 0.81 4.11 -1.85 -1.00 114.58 117.58 3h26 h GLU 41 Ca 0.05 -0.41 -0.23 0.00 0.07 0.00 0.00 59.36 58.85 3h26 h GLU 41 Cb 0.27 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3h26 h GLU 41 CO 0.00 1.07 -0.83 0.28 0.07 0.00 0.00 179.01 179.61 3h26 h VAL 42 N 0.82 1.29 -0.38 -1.06 2.07 -1.48 -1.67 116.25 115.84 3h26 h VAL 42 Ca 0.11 -2.06 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 3h26 h VAL 42 Cb 0.79 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 3h26 h VAL 42 CO 0.07 0.64 0.23 -0.78 0.02 0.00 0.00 177.57 177.75 3h26 h ASP 43 N 0.47 0.46 -0.87 0.57 3.58 -0.79 -0.66 116.42 119.18 3h26 h ASP 43 Ca -0.06 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 3h26 h ASP 43 Cb 1.45 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.35 3h26 h ASP 43 CO 0.16 0.37 0.48 0.00 -2.88 0.00 0.00 179.24 177.37 3h26 h ALA 44 N 1.10 1.11 -0.49 -0.78 0.00 -1.16 -0.30 119.26 118.74 3h26 h ALA 44 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h26 h ALA 44 Cb -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3h26 h ALA 44 CO -0.03 0.61 0.12 0.00 0.00 0.00 0.00 179.25 179.96 3h26 h ALA 45 N 1.26 0.64 0.02 0.00 0.00 -1.06 0.68 119.26 120.80 3h26 h ALA 45 Ca 0.30 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h26 h ALA 45 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3h26 h ALA 45 CO -0.05 0.33 -0.01 0.28 0.00 0.00 0.00 179.25 179.80 3h26 h VAL 46 N 0.67 1.12 -0.53 0.00 2.07 -0.89 0.27 116.25 118.95 3h26 h VAL 46 Ca 0.15 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.32 3h26 h VAL 46 Cb 0.32 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 3h26 h VAL 46 CO 0.00 0.11 0.16 -0.09 0.02 0.00 0.00 177.57 177.78 3h26 h ARG 47 N -0.21 0.32 -0.31 1.57 2.43 -1.00 0.12 114.38 117.29 3h26 h ARG 47 Ca -0.00 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 3h26 h ARG 47 Cb 0.20 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3h26 h ARG 47 CO 0.00 0.21 -0.44 1.25 -1.51 0.00 0.00 179.97 179.48 3h26 h HIS 48 N 0.33 1.04 -0.96 2.20 2.76 -0.68 -1.76 115.15 118.08 3h26 h HIS 48 Ca 0.26 -0.35 0.09 0.00 -2.20 0.00 0.00 60.37 58.18 3h26 h HIS 48 Cb 0.32 -0.21 -0.07 0.00 1.55 0.00 0.00 27.41 29.01 3h26 h HIS 48 CO -0.19 1.16 0.62 0.00 -1.30 0.00 0.00 177.93 178.22 3h26 h ALA 49 N 0.70 1.53 -0.51 5.26 0.00 0.05 -2.26 119.26 124.03 3h26 h ALA 49 Ca 0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3h26 h ALA 49 Cb 1.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3h26 h ALA 49 CO 0.10 0.27 -0.18 0.87 0.00 0.00 0.00 179.25 180.31 3h26 h LYS 50 N 1.00 1.02 -0.38 0.00 1.57 -0.35 -1.73 116.57 117.70 3h26 h LYS 50 Ca 0.44 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3h26 h LYS 50 Cb 0.36 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3h26 h LYS 50 CO -0.20 1.10 0.19 1.49 -0.57 0.00 0.00 179.45 181.46 3h26 h GLU 51 N 0.88 0.54 -0.30 3.15 4.81 -0.93 -1.61 114.58 121.12 3h26 h GLU 51 Ca 0.12 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3h26 h GLU 51 Cb 0.76 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3h26 h GLU 51 CO 0.06 0.46 -0.26 0.52 -0.73 0.00 0.00 179.01 179.07 3h26 h MET 52 N 0.48 0.60 -0.75 1.92 2.86 -1.31 0.04 114.93 118.77 3h26 h MET 52 Ca 0.13 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3h26 h MET 52 Cb 0.10 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 3h26 h MET 52 CO -0.02 0.81 0.46 -0.09 1.06 0.00 0.00 176.91 179.13 3h26 h ARG 53 N 0.53 0.86 0.00 1.72 1.12 -1.06 -1.09 114.38 116.45 3h26 h ARG 53 Ca 0.07 -0.05 -0.09 0.00 -1.11 0.00 0.00 59.98 58.80 3h26 h ARG 53 Cb 0.73 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.48 3h26 h ARG 53 CO 0.06 0.57 -0.41 -0.44 -3.11 0.00 0.00 179.97 176.63 3h26 h ASP 54 N 0.89 0.00 0.04 -3.80 3.32 -0.55 -3.09 116.42 113.23 3h26 h ASP 54 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3h26 h ASP 54 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3h26 h ASP 54 CO -0.13 0.41 -0.01 -0.62 -1.72 0.00 0.00 179.24 177.17 3h26 n GLU 55 N -3.74 1.16 0.00 3.56 -0.58 -0.07 -4.89 120.64 116.09 3h26 n GLU 55 Ca -0.01 -0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.42 3h26 n GLU 55 Cb 0.49 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 3h26 n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h26 n GLY 56 N 1.08 1.42 3.80 0.62 0.00 -1.02 -3.61 105.19 107.48 3h26 n GLY 56 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3h26 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 s ALA 57 N -2.00 3.05 -0.04 4.61 0.00 -0.48 -4.74 121.76 122.15 3h26 s ALA 57 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 51.96 52.61 3h26 s ALA 57 Cb 0.00 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.76 3h26 s ALA 57 CO 0.00 -0.05 0.17 0.72 0.00 0.00 0.00 175.76 176.60 3h26 n HIS 58 N -0.33 0.00 -4.06 0.00 8.25 0.79 -4.75 115.22 115.12 3h26 n HIS 58 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 3h26 n HIS 58 Cb 0.52 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 31.18 3h26 n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3h26 s ILE 59 N -2.58 0.41 -0.24 1.59 1.01 -0.77 -4.10 121.20 116.52 3h26 s ILE 59 Ca -0.04 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 3h26 s ILE 59 Cb 0.06 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 3h26 s ILE 59 CO 0.43 -0.24 0.03 -0.63 0.00 0.00 0.00 174.94 174.54 3h26 s ILE 60 N -0.96 3.96 -0.22 2.92 -1.09 -0.39 -0.89 121.20 124.53 3h26 s ILE 60 Ca -0.07 -0.34 -0.17 0.00 -2.23 0.00 0.00 60.65 57.84 3h26 s ILE 60 Cb -0.07 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 3h26 s ILE 60 CO 0.00 0.34 0.48 -0.62 -1.23 0.00 0.00 174.94 173.91 3h26 s ASP 61 N 1.56 6.48 -0.07 3.58 3.68 -0.05 -1.15 116.67 130.70 3h26 s ASP 61 Ca 0.06 0.57 0.03 0.00 2.13 0.00 0.00 52.55 55.33 3h26 s ASP 61 Cb -0.15 -2.27 0.01 0.00 -1.45 0.00 0.00 42.92 39.06 3h26 s ASP 61 CO 0.01 -0.18 -0.14 -0.63 0.13 0.00 0.00 175.17 174.36 3h26 s ILE 62 N 1.75 1.26 -4.60 4.11 1.01 -0.45 -1.47 121.20 122.80 3h26 s ILE 62 Ca 0.21 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.31 3h26 s ILE 62 Cb -0.15 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.18 3h26 s ILE 62 CO 0.09 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3h26 n GLY 63 N 3.75 1.00 0.00 6.18 0.00 -1.26 -0.26 105.19 114.60 3h26 n GLY 63 Ca -0.22 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.82 3h26 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h26 n GLY 64 N -1.57 0.57 1.78 -0.02 0.00 -1.25 -4.90 105.19 99.79 3h26 n GLY 64 Ca 0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 3h26 n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h26 n SER 75 N 0.00 2.37 0.00 1.61 7.64 -1.26 -5.15 113.62 118.83 3h26 n SER 75 Ca 0.00 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.78 3h26 n SER 75 Cb 0.00 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3h26 n SER 75 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3h26 n VAL 76 N -0.59 0.00 -0.27 0.44 0.31 -1.26 -1.39 118.33 115.57 3h26 n VAL 76 Ca -0.09 0.00 0.21 0.00 -0.01 0.00 0.00 64.34 64.45 3h26 n VAL 76 Cb 0.32 0.00 0.39 0.00 -0.91 0.00 0.00 33.84 33.63 3h26 n VAL 76 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h26 n GLU 77 N 0.00 -0.06 0.00 5.55 1.02 -1.26 -0.42 120.64 125.48 3h26 n GLU 77 Ca 0.00 1.18 0.07 0.00 -0.02 0.00 0.00 57.16 58.39 3h26 n GLU 77 Cb 0.00 -2.02 0.03 0.00 -0.02 0.00 0.00 31.44 29.43 3h26 n GLU 77 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3h26 n GLU 78 N -5.00 1.34 -0.20 3.49 0.28 -0.48 -3.75 120.64 116.31 3h26 n GLU 78 Ca 0.27 -1.06 -0.07 0.00 -0.16 0.00 0.00 57.16 56.14 3h26 n GLU 78 Cb 0.89 -1.23 0.03 0.00 1.43 0.00 0.00 31.44 32.56 3h26 n GLU 78 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3h26 h GLU 79 N 2.17 0.80 0.15 3.44 5.08 -0.85 -2.61 114.58 122.76 3h26 h GLU 79 Ca 0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3h26 h GLU 79 Cb 0.52 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3h26 h GLU 79 CO 0.00 0.61 -0.07 0.82 -1.00 0.00 0.00 179.01 179.36 3h26 h ILE 80 N 0.78 0.91 -0.44 3.13 5.03 -1.62 -1.83 117.51 123.47 3h26 h ILE 80 Ca 0.20 -0.26 0.05 0.00 -0.12 0.00 0.00 64.86 64.73 3h26 h ILE 80 Cb 0.04 1.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.88 3h26 h ILE 80 CO -0.03 0.06 0.29 0.11 -0.68 0.00 0.00 178.15 177.90 3h26 h LYS 81 N -0.33 0.40 -0.05 2.37 1.57 -1.64 0.12 116.57 119.01 3h26 h LYS 81 Ca -0.02 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3h26 h LYS 81 Cb 0.26 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.49 3h26 h LYS 81 CO 0.03 0.26 -0.36 0.00 -0.57 0.00 0.00 179.45 178.82 3h26 h ARG 82 N 0.41 0.32 0.08 3.15 3.08 -1.40 -3.32 114.38 116.70 3h26 h ARG 82 Ca 0.19 -0.29 -0.32 0.00 0.07 0.00 0.00 59.98 59.63 3h26 h ARG 82 Cb 0.22 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3h26 h ARG 82 CO -0.05 0.95 -1.78 -0.24 -1.07 0.00 0.00 179.97 177.79 3h26 h VAL 83 N -0.21 0.83 0.01 2.04 3.04 -0.56 -3.36 116.25 118.04 3h26 h VAL 83 Ca -0.03 -2.59 0.01 0.00 -1.01 0.00 0.00 66.70 63.08 3h26 h VAL 83 Cb 1.04 2.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.84 3h26 h VAL 83 CO 0.07 0.73 -0.03 0.58 -1.01 0.00 0.00 177.57 177.91 3h26 h VAL 84 N 0.04 0.92 0.00 1.51 2.07 -1.02 -2.18 116.25 117.58 3h26 h VAL 84 Ca -0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3h26 h VAL 84 Cb 2.02 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3h26 h VAL 84 CO 0.10 0.00 -0.07 -0.65 0.02 0.00 0.00 177.57 176.97 3h26 h PRO 85 N -0.06 0.00 -0.33 1.57 0.11 -1.78 -1.22 132.00 130.30 3h26 h PRO 85 Ca 0.01 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 3h26 h PRO 85 Cb 0.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 3h26 h PRO 85 CO -0.03 0.07 -0.34 0.52 -0.21 0.00 0.00 178.00 178.01 3h26 h MET 86 N 0.00 0.80 -0.18 1.05 2.86 -1.61 -2.38 114.93 115.48 3h26 h MET 86 Ca -0.00 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 3h26 h MET 86 Cb 0.14 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 3h26 h MET 86 CO 0.01 1.06 -0.11 0.82 1.06 0.00 0.00 176.91 179.75 3h26 h ILE 87 N 0.58 1.32 -0.51 -1.22 2.04 -0.92 -1.05 117.51 117.75 3h26 h ILE 87 Ca 0.05 -1.20 0.10 0.00 1.00 0.00 0.00 64.86 64.81 3h26 h ILE 87 Cb 0.92 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 38.62 3h26 h ILE 87 CO 0.08 0.36 -0.29 1.56 0.00 0.00 0.00 178.15 179.86 3h26 h GLN 88 N 0.06 -0.16 -0.43 2.37 4.20 -1.29 -0.34 115.11 119.51 3h26 h GLN 88 Ca 0.04 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 3h26 h GLN 88 Cb 0.61 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3h26 h GLN 88 CO 0.03 -0.11 -0.19 0.00 -0.67 0.00 0.00 178.83 177.89 3h26 h ALA 89 N 1.02 0.60 -0.04 3.87 0.00 -1.36 -2.67 119.26 120.67 3h26 h ALA 89 Ca 0.22 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3h26 h ALA 89 Cb 0.52 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h26 h ALA 89 CO -0.60 0.56 -0.39 0.28 0.00 0.00 0.00 179.25 179.10 3h26 h VAL 90 N 0.72 1.44 -0.83 0.00 2.07 -0.89 -1.10 116.25 117.65 3h26 h VAL 90 Ca 0.10 -1.86 -0.03 0.00 0.82 0.00 0.00 66.70 65.73 3h26 h VAL 90 Cb 0.75 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 3h26 h VAL 90 CO 0.06 0.53 0.41 0.77 0.02 0.00 0.00 177.57 179.36 3h26 h SER 91 N -0.18 1.08 -0.69 0.57 4.64 -1.18 0.93 113.55 118.72 3h26 h SER 91 Ca -0.04 -0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.18 3h26 h SER 91 Cb 1.07 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 3h26 h SER 91 CO 0.08 0.90 0.44 0.50 -0.87 0.00 0.00 176.83 177.88 3h26 h LYS 92 N 1.18 0.84 0.00 4.77 3.64 -1.47 -3.33 116.57 122.21 3h26 h LYS 92 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3h26 h LYS 92 Cb 0.10 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3h26 h LYS 92 CO -0.04 0.56 -1.47 0.39 -2.27 0.00 0.00 179.45 176.62 3h26 n GLU 93 N -4.65 0.78 -3.91 1.90 1.02 -0.42 -4.90 120.64 110.46 3h26 n GLU 93 Ca 0.07 -0.11 -0.27 0.00 -0.02 0.00 0.00 57.16 56.83 3h26 n GLU 93 Cb 0.07 -1.39 -0.17 0.00 -0.02 0.00 0.00 31.44 29.93 3h26 n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3h26 s VAL 94 N -3.04 1.09 -1.27 2.62 1.01 0.32 -5.04 120.40 116.08 3h26 s VAL 94 Ca -0.02 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 3h26 s VAL 94 Cb 0.12 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.36 3h26 s VAL 94 CO 0.74 0.28 1.88 0.29 0.00 0.00 0.00 175.10 178.29 3h26 n LYS 95 N 4.91 2.73 -3.63 2.72 5.02 -1.26 -4.42 118.16 124.24 3h26 n LYS 95 Ca -0.12 -2.92 -0.15 0.00 -2.02 0.00 0.00 58.31 53.10 3h26 n LYS 95 Cb 0.49 -3.47 -0.07 0.00 -0.02 0.00 0.00 35.03 31.96 3h26 n LYS 95 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h26 s LEU 96 N 4.94 0.07 0.25 -0.35 1.43 -1.26 -5.14 118.68 118.62 3h26 s LEU 96 Ca 0.56 0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 3h26 s LEU 96 Cb 0.06 1.95 -0.09 0.00 0.03 0.00 0.00 46.19 48.13 3h26 s LEU 96 CO 0.06 -0.58 1.27 -2.84 0.23 0.00 0.00 176.35 174.49 3h26 s PRO 97 N -1.60 4.42 -0.18 1.29 0.02 -1.26 -4.87 135.00 132.83 3h26 s PRO 97 Ca -0.10 2.05 -0.06 0.00 0.02 0.00 0.00 61.00 62.91 3h26 s PRO 97 Cb -0.02 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 3h26 s PRO 97 CO 0.05 -0.15 0.02 0.42 -0.33 0.00 0.00 177.00 177.00 3h26 s ILE 98 N -0.45 4.30 0.05 2.83 1.01 -1.26 -1.27 121.20 126.41 3h26 s ILE 98 Ca 0.52 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.88 3h26 s ILE 98 Cb -0.36 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 3h26 s ILE 98 CO 0.43 0.45 0.36 -0.94 0.00 0.00 0.00 174.94 175.24 3h26 s SER 99 N 0.58 6.61 -0.20 3.58 1.04 -0.30 0.35 113.70 125.35 3h26 s SER 99 Ca 0.00 0.73 -0.08 0.00 0.48 0.00 0.00 55.95 57.08 3h26 s SER 99 Cb -0.14 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 3h26 s SER 99 CO 0.02 0.21 0.09 -0.51 0.98 0.00 0.00 173.24 174.04 3h26 s ILE 100 N -1.33 4.94 -1.02 -1.02 1.10 0.24 -1.34 121.20 122.77 3h26 s ILE 100 Ca 0.30 0.03 -0.12 0.00 -0.51 0.00 0.00 60.65 60.35 3h26 s ILE 100 Cb -0.14 -3.26 0.23 0.00 0.15 0.00 0.00 42.46 39.44 3h26 s ILE 100 CO 0.17 0.42 1.05 -0.62 -2.11 0.00 0.00 174.94 173.84 3h26 s ASP 101 N 0.66 7.04 0.06 4.50 3.68 0.64 -0.50 116.67 132.75 3h26 s ASP 101 Ca 0.05 -3.07 -0.12 0.00 2.13 0.00 0.00 52.55 51.53 3h26 s ASP 101 Cb -0.13 -2.25 0.01 0.00 -1.45 0.00 0.00 42.92 39.10 3h26 s ASP 101 CO 0.01 -0.52 0.28 0.28 0.13 0.00 0.00 175.17 175.35 3h26 s THR 102 N -0.04 0.10 -1.40 1.71 -1.32 -0.91 -3.96 115.64 109.82 3h26 s THR 102 Ca 0.28 -0.80 0.13 0.00 -1.21 0.00 0.00 61.69 60.09 3h26 s THR 102 Cb -0.09 -1.05 0.19 0.00 -1.51 0.00 0.00 72.50 70.05 3h26 s THR 102 CO -0.07 -0.44 1.05 0.00 -2.21 0.00 0.00 174.62 172.94 3h26 n TYR 103 N 0.36 0.20 -3.70 9.09 0.18 -1.26 -3.96 117.16 118.06 3h26 n TYR 103 Ca -0.18 -0.19 -0.36 0.00 1.88 0.00 0.00 57.90 59.06 3h26 n TYR 103 Cb 0.60 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.48 3h26 n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3h26 s LYS 104 N -1.04 4.11 0.16 -3.48 1.02 -1.26 -3.85 119.74 115.40 3h26 s LYS 104 Ca 0.19 -0.12 -0.13 0.00 0.02 0.00 0.00 55.97 55.93 3h26 s LYS 104 Cb 0.12 -3.39 0.06 0.00 -0.52 0.00 0.00 37.83 34.10 3h26 s LYS 104 CO 0.17 0.35 1.72 0.00 -0.92 0.00 0.00 175.35 176.68 3h26 h ALA 105 N 6.42 0.71 -0.41 5.17 0.00 -1.92 -2.05 119.26 127.17 3h26 h ALA 105 Ca -0.43 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3h26 h ALA 105 Cb 1.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3h26 h ALA 105 CO 0.73 0.31 -0.04 1.49 0.00 0.00 0.00 179.25 181.75 3h26 h GLU 106 N 0.74 0.76 -0.07 0.00 4.57 -1.96 -2.35 114.58 116.27 3h26 h GLU 106 Ca 0.18 -0.26 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3h26 h GLU 106 Cb 0.18 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3h26 h GLU 106 CO -0.02 0.86 0.01 0.28 -1.18 0.00 0.00 179.01 178.96 3h26 h VAL 107 N 0.58 0.97 -0.43 0.32 2.07 -1.92 -2.23 116.25 115.62 3h26 h VAL 107 Ca 0.11 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.71 3h26 h VAL 107 Cb 0.54 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 3h26 h VAL 107 CO 0.03 0.01 -0.14 0.00 0.02 0.00 0.00 177.57 177.48 3h26 h ALA 108 N 1.05 0.22 0.26 1.67 0.00 -1.22 -0.17 119.26 121.07 3h26 h ALA 108 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3h26 h ALA 108 Cb 0.02 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3h26 h ALA 108 CO -0.04 -0.49 -0.35 -0.22 0.00 0.00 0.00 179.25 178.15 3h26 h LYS 109 N -0.05 -0.64 -0.80 0.00 3.64 -1.26 -1.86 116.57 115.60 3h26 h LYS 109 Ca 0.21 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.75 3h26 h LYS 109 Cb 0.37 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 3h26 h LYS 109 CO -0.47 -0.43 0.41 1.96 -2.27 0.00 0.00 179.45 178.66 3h26 h GLN 110 N -0.67 0.63 -0.16 1.90 1.08 -0.78 0.13 115.11 117.25 3h26 h GLN 110 Ca -0.00 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 3h26 h GLN 110 Cb 0.63 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 3h26 h GLN 110 CO -0.12 0.42 -0.03 0.00 -0.95 0.00 0.00 178.83 178.15 3h26 h ALA 111 N 1.50 0.21 -0.90 3.87 0.00 -0.88 0.40 119.26 123.46 3h26 h ALA 111 Ca 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3h26 h ALA 111 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3h26 h ALA 111 CO -0.31 -0.04 0.52 0.82 0.00 0.00 0.00 179.25 180.24 3h26 h ILE 112 N 0.01 1.25 -0.02 0.00 2.04 -1.07 0.16 117.51 119.89 3h26 h ILE 112 Ca 0.04 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3h26 h ILE 112 Cb 0.44 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3h26 h ILE 112 CO 0.01 0.27 -0.22 -0.33 0.00 0.00 0.00 178.15 177.88 3h26 h GLU 113 N 1.25 0.02 -0.00 2.37 4.39 -0.41 -2.39 114.58 119.82 3h26 h GLU 113 Ca 0.32 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3h26 h GLU 113 Cb -0.02 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3h26 h GLU 113 CO -0.06 0.25 -0.20 0.00 -1.16 0.00 0.00 179.01 177.84 3h26 n ALA 114 N -2.50 2.83 0.00 3.43 0.00 0.14 -4.91 120.51 119.50 3h26 n ALA 114 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3h26 n ALA 114 Cb 0.29 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3h26 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h26 n GLY 115 N 1.49 0.79 3.79 0.00 0.00 -0.30 -3.81 105.19 107.16 3h26 n GLY 115 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3h26 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 s ALA 116 N -1.58 3.07 -0.09 4.61 0.00 0.40 -4.78 121.76 123.40 3h26 s ALA 116 Ca 0.00 0.59 0.10 0.00 0.00 0.00 0.00 51.96 52.65 3h26 s ALA 116 Cb 0.00 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.75 3h26 s ALA 116 CO 0.00 -0.09 0.09 0.72 0.00 0.00 0.00 175.76 176.48 3h26 n HIS 117 N -0.20 0.00 -4.53 0.00 -0.00 0.15 -4.26 115.22 106.38 3h26 n HIS 117 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.54 3h26 n HIS 117 Cb 0.51 -0.48 -0.14 0.00 -0.00 0.00 0.00 29.99 29.88 3h26 n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3h26 s ILE 118 N -2.38 1.51 -0.05 1.59 1.01 -0.75 -3.96 121.20 118.16 3h26 s ILE 118 Ca -0.05 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.31 3h26 s ILE 118 Cb 0.04 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 3h26 s ILE 118 CO 0.46 0.13 0.33 -0.63 0.00 0.00 0.00 174.94 175.22 3h26 s ILE 119 N -0.84 5.19 -0.39 2.92 1.01 0.63 -0.59 121.20 129.13 3h26 s ILE 119 Ca 0.06 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.38 3h26 s ILE 119 Cb -0.09 -3.63 0.11 0.00 0.01 0.00 0.00 42.46 38.87 3h26 s ILE 119 CO 0.02 0.56 0.14 0.21 0.00 0.00 0.00 174.94 175.86 3h26 s ASN 120 N -0.84 4.31 -0.35 3.58 2.47 0.34 0.03 114.94 124.48 3h26 s ASN 120 Ca 0.21 -2.29 -0.06 0.00 0.42 0.00 0.00 52.86 51.14 3h26 s ASN 120 Cb -0.15 -1.35 0.05 0.00 -1.45 0.00 0.00 41.25 38.35 3h26 s ASN 120 CO 0.10 -0.34 0.12 -0.62 -3.72 0.00 0.00 177.10 172.64 3h26 s ASP 121 N 0.73 5.30 0.00 -4.21 3.68 -0.95 -2.15 116.67 119.08 3h26 s ASP 121 Ca 0.13 -1.30 0.16 0.00 2.13 0.00 0.00 52.55 53.67 3h26 s ASP 121 Cb -0.21 -1.86 0.82 0.00 -1.45 0.00 0.00 42.92 40.22 3h26 s ASP 121 CO -0.09 -0.37 1.42 2.30 0.13 0.00 0.00 175.17 178.56 3h26 n ILE 122 N 4.78 0.43 -0.04 4.11 -5.35 -1.26 -2.01 119.36 120.02 3h26 n ILE 122 Ca -0.11 0.11 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 3h26 n ILE 122 Cb 0.44 -0.85 0.06 0.00 -1.74 0.00 0.00 39.64 37.55 3h26 n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3h26 n TRP 123 N -1.22 0.18 -4.30 4.28 7.02 -1.26 -4.51 117.44 117.63 3h26 n TRP 123 Ca 0.08 -0.44 -0.31 0.00 -1.02 0.00 0.00 57.50 55.81 3h26 n TRP 123 Cb 0.11 -0.04 -0.09 0.00 -2.42 0.00 0.00 31.31 28.87 3h26 n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h26 n GLY 124 N -0.02 -0.13 2.79 6.99 0.00 -0.85 -0.42 105.19 113.54 3h26 n GLY 124 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3h26 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 n ALA 125 N -4.56 0.00 0.00 4.61 0.00 -1.26 -4.55 120.51 114.75 3h26 n ALA 125 Ca -0.32 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.06 3h26 n ALA 125 Cb 0.69 -0.68 -0.12 0.00 0.00 0.00 0.00 19.45 19.34 3h26 n ALA 125 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h26 h LYS 126 N 0.78 0.00 0.36 0.00 1.57 -1.13 -2.88 116.57 115.27 3h26 h LYS 126 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3h26 h LYS 126 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3h26 h LYS 126 CO 0.00 0.54 -0.17 0.00 -0.57 0.00 0.00 179.45 179.25 3h26 h ALA 127 N 1.08 -0.48 -2.98 3.86 0.00 -1.88 -3.41 119.26 115.45 3h26 h ALA 127 Ca -0.22 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 3h26 h ALA 127 Cb 1.89 0.19 -0.40 0.00 0.00 0.00 0.00 17.79 19.47 3h26 h ALA 127 CO 0.08 -0.59 -0.77 -1.21 0.00 0.00 0.00 179.25 176.77 3h26 s GLU 128 N -4.54 0.87 0.47 0.00 2.02 -1.25 -4.99 118.70 111.28 3h26 s GLU 128 Ca -0.14 -1.43 0.21 0.00 0.02 0.00 0.00 54.97 53.63 3h26 s GLU 128 Cb 0.02 -1.96 1.22 0.00 0.10 0.00 0.00 34.13 33.51 3h26 s GLU 128 CO 0.51 -1.09 1.94 -1.35 0.02 0.00 0.00 175.26 175.29 3h26 h PRO 129 N 7.42 0.22 -0.51 0.39 0.11 -1.75 0.00 132.00 137.89 3h26 h PRO 129 Ca -0.06 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.18 3h26 h PRO 129 Cb 0.97 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 3h26 h PRO 129 CO 0.44 0.15 0.51 0.87 -0.21 0.00 0.00 178.00 179.76 3h26 h LYS 130 N 0.23 0.00 -0.81 1.05 1.79 -1.94 -2.17 116.57 114.71 3h26 h LYS 130 Ca 0.34 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 3h26 h LYS 130 Cb 1.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.61 3h26 h LYS 130 CO -0.07 0.00 0.45 0.97 -1.08 0.00 0.00 179.45 179.72 3h26 h ILE 131 N 0.00 1.24 -0.20 1.86 2.10 -1.32 -1.87 117.51 119.31 3h26 h ILE 131 Ca 0.24 -0.57 0.02 0.00 1.08 0.00 0.00 64.86 65.64 3h26 h ILE 131 Cb 1.27 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 3h26 h ILE 131 CO -0.00 0.26 0.14 0.00 -1.08 0.00 0.00 178.15 177.46 3h26 h ALA 132 N 1.37 1.98 -0.19 0.18 0.00 -1.59 0.18 119.26 121.18 3h26 h ALA 132 Ca 0.29 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 3h26 h ALA 132 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h26 h ALA 132 CO -0.05 -0.01 -0.64 0.93 0.00 0.00 0.00 179.25 179.49 3h26 h GLU 133 N 0.17 0.68 0.04 0.00 5.08 -1.49 0.39 114.58 119.46 3h26 h GLU 133 Ca 0.08 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3h26 h GLU 133 Cb 0.13 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3h26 h GLU 133 CO -0.01 1.10 -0.02 0.28 -1.00 0.00 0.00 179.01 179.36 3h26 h VAL 134 N 0.50 1.01 -0.57 3.13 2.07 -0.85 0.65 116.25 122.19 3h26 h VAL 134 Ca -0.01 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.43 3h26 h VAL 134 Cb 1.22 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 32.04 3h26 h VAL 134 CO 0.13 0.05 0.12 0.00 0.02 0.00 0.00 177.57 177.88 3h26 h ALA 135 N 0.82 0.66 -0.20 1.67 0.00 -0.61 -0.62 119.26 120.98 3h26 h ALA 135 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h26 h ALA 135 Cb 0.12 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h26 h ALA 135 CO 0.01 -0.30 0.09 0.00 0.00 0.00 0.00 179.25 179.05 3h26 h ALA 136 N 1.45 0.26 0.84 0.00 0.00 0.07 -0.57 119.26 121.30 3h26 h ALA 136 Ca 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3h26 h ALA 136 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h26 h ALA 136 CO -0.37 -0.16 -0.47 1.25 0.00 0.00 0.00 179.25 179.49 3h26 h HIS 137 N 0.18 -1.24 0.00 0.00 6.17 0.10 -2.71 115.15 117.64 3h26 h HIS 137 Ca 0.07 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3h26 h HIS 137 Cb 0.15 0.43 0.00 0.00 2.52 0.00 0.00 27.41 30.52 3h26 h HIS 137 CO -0.02 -0.72 0.00 0.66 0.71 0.00 0.00 177.93 178.56 3h26 n TYR 138 N -5.47 0.00 -1.79 5.26 4.01 -0.31 -4.90 117.16 113.97 3h26 n TYR 138 Ca -0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 3h26 n TYR 138 Cb 0.49 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 3h26 n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3h26 n ASP 139 N -1.44 -3.89 -4.87 7.72 -0.08 -0.28 -5.00 116.55 108.72 3h26 n ASP 139 Ca 0.07 0.12 -0.31 0.00 -1.51 0.00 0.00 54.79 53.16 3h26 n ASP 139 Cb 0.23 -2.76 -0.03 0.00 2.34 0.00 0.00 41.12 40.91 3h26 n ASP 139 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3h26 s VAL 140 N -2.47 4.73 0.20 5.18 -7.23 -0.87 -5.01 120.40 114.94 3h26 s VAL 140 Ca 0.00 0.75 -0.30 0.00 -1.81 0.00 0.00 61.98 60.61 3h26 s VAL 140 Cb 0.00 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.10 3h26 s VAL 140 CO 0.00 -0.62 1.39 -2.84 -0.31 0.00 0.00 175.10 172.72 3h26 s PRO 141 N -4.03 4.32 -0.12 4.82 0.02 -1.25 -4.77 135.00 133.98 3h26 s PRO 141 Ca 0.53 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.73 3h26 s PRO 141 Cb -0.10 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.24 3h26 s PRO 141 CO 0.33 -0.36 -0.16 -1.50 -0.33 0.00 0.00 177.00 174.98 3h26 s ILE 142 N 0.26 2.76 -0.32 2.83 2.07 0.71 -0.27 121.20 129.25 3h26 s ILE 142 Ca 0.60 -0.77 -0.20 0.00 -1.41 0.00 0.00 60.65 58.87 3h26 s ILE 142 Cb -0.39 -2.13 -0.01 0.00 0.13 0.00 0.00 42.46 40.06 3h26 s ILE 142 CO 0.39 0.54 0.61 -0.63 -1.91 0.00 0.00 174.94 173.94 3h26 s ILE 143 N 0.33 4.94 -0.40 2.00 1.01 0.10 -2.10 121.20 127.09 3h26 s ILE 143 Ca -0.13 0.76 -0.16 0.00 0.00 0.00 0.00 60.65 61.13 3h26 s ILE 143 Cb -0.16 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.32 3h26 s ILE 143 CO 0.07 -0.17 0.36 -0.76 0.00 0.00 0.00 174.94 174.44 3h26 s LEU 144 N 2.59 4.89 0.02 2.97 1.43 0.50 -2.24 118.68 128.85 3h26 s LEU 144 Ca 0.24 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 3h26 s LEU 144 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 3h26 s LEU 144 CO 0.12 -0.48 0.31 -0.32 0.23 0.00 0.00 176.35 176.21 3h26 s MET 145 N 1.91 3.64 0.12 1.70 1.75 -1.02 -1.96 119.30 125.44 3h26 s MET 145 Ca 0.09 0.02 -0.31 0.00 -1.25 0.00 0.00 55.69 54.24 3h26 s MET 145 Cb -0.18 -3.06 -0.07 0.00 2.84 0.00 0.00 34.83 34.36 3h26 s MET 145 CO 0.12 0.63 1.25 -1.58 -0.65 0.00 0.00 175.02 174.79 3h26 s HIS 146 N -1.31 3.37 0.06 4.11 2.46 0.13 -3.32 115.29 120.80 3h26 s HIS 146 Ca 0.29 1.24 -0.26 0.00 0.47 0.00 0.00 55.06 56.79 3h26 s HIS 146 Cb -0.14 -3.50 0.08 0.00 -0.13 0.00 0.00 32.58 28.89 3h26 s HIS 146 CO 0.16 -1.57 0.70 1.21 -2.47 0.00 0.00 174.74 172.76 3h26 s ASN 147 N 0.77 -0.54 0.20 9.88 3.84 -1.26 -4.29 114.94 123.53 3h26 s ASN 147 Ca 0.58 0.19 -0.22 0.00 0.21 0.00 0.00 52.86 53.62 3h26 s ASN 147 Cb -0.33 0.53 0.05 0.00 -0.55 0.00 0.00 41.25 40.96 3h26 s ASN 147 CO 0.32 -0.78 0.65 0.00 -2.79 0.00 0.00 177.10 174.50 3h26 s ARG 148 N -2.87 1.45 -1.10 0.43 1.70 -1.26 -5.03 118.95 112.27 3h26 s ARG 148 Ca -0.01 -0.66 -0.07 0.00 -0.47 0.00 0.00 55.73 54.52 3h26 s ARG 148 Cb -0.01 0.59 0.29 0.00 -0.57 0.00 0.00 34.95 35.26 3h26 s ARG 148 CO -0.06 -0.65 1.28 -0.40 -1.08 0.00 0.00 175.30 174.40 3h26 n ASP 149 N -0.41 5.94 0.00 -2.89 5.68 -1.26 -4.62 116.55 118.99 3h26 n ASP 149 Ca -0.12 -3.21 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 3h26 n ASP 149 Cb 0.63 -1.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 3h26 n ASP 149 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3h26 n ASN 150 N 2.06 0.00 -2.16 -1.12 0.23 -1.26 -5.02 115.26 107.98 3h26 n ASN 150 Ca 0.25 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.26 3h26 n ASN 150 Cb 0.36 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.12 3h26 n ASN 150 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3h26 n MET 151 N -1.35 1.73 -1.13 -3.83 2.81 -1.26 -4.86 117.12 109.23 3h26 n MET 151 Ca 0.00 -3.30 -0.28 0.00 -1.81 0.00 0.00 57.70 52.32 3h26 n MET 151 Cb 0.00 -1.40 -0.08 0.00 -0.71 0.00 0.00 33.22 31.04 3h26 n MET 151 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3h26 n ASN 152 N -0.43 7.08 -4.67 7.83 3.02 -1.26 -4.90 115.26 121.93 3h26 n ASN 152 Ca 0.16 -2.50 -0.42 0.00 -0.03 0.00 0.00 54.58 51.79 3h26 n ASN 152 Cb 0.90 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 3h26 n ASN 152 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3h26 s TYR 153 N 1.90 2.34 -0.02 3.10 1.51 -1.26 -4.89 117.35 120.03 3h26 s TYR 153 Ca 0.65 0.48 -0.25 0.00 -1.01 0.00 0.00 57.07 56.94 3h26 s TYR 153 Cb 0.22 -3.79 -0.20 0.00 -0.11 0.00 0.00 41.96 38.08 3h26 s TYR 153 CO -0.04 -3.16 1.25 -0.09 -1.11 0.00 0.00 175.55 172.41 3h26 h ARG 154 N 8.87 0.04 -2.10 -0.62 2.43 -2.02 -3.43 114.38 117.55 3h26 h ARG 154 Ca -0.37 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.46 3h26 h ARG 154 Cb 1.16 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 30.39 3h26 h ARG 154 CO 0.95 0.54 -0.63 1.21 -1.51 0.00 0.00 179.97 180.53 3h26 s ASN 155 N -5.77 1.56 0.04 -3.80 2.47 -1.26 -5.07 114.94 103.10 3h26 s ASN 155 Ca -0.16 -0.74 -0.07 0.00 0.42 0.00 0.00 52.86 52.31 3h26 s ASN 155 Cb 0.02 0.56 -0.02 0.00 -1.45 0.00 0.00 41.25 40.36 3h26 s ASN 155 CO 0.68 -0.38 0.68 -0.11 -3.72 0.00 0.00 177.10 174.25 3h26 n LEU 156 N 5.29 -0.25 -0.20 3.21 7.94 -1.26 -0.24 117.00 131.50 3h26 n LEU 156 Ca -0.02 0.73 -0.09 0.00 -1.11 0.00 0.00 56.01 55.53 3h26 n LEU 156 Cb 0.47 -0.21 0.03 0.00 0.53 0.00 0.00 43.42 44.23 3h26 n LEU 156 CO 0.00 -0.50 0.80 0.24 -1.11 0.00 0.00 177.39 176.82 3h26 h MET 157 N 0.00 1.05 -0.66 1.96 2.86 -1.97 0.36 114.93 118.52 3h26 h MET 157 Ca 0.04 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 3h26 h MET 157 Cb 0.10 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3h26 h MET 157 CO -0.22 1.05 0.25 0.00 1.06 0.00 0.00 176.91 179.05 3h26 h ALA 158 N 0.99 0.86 -0.22 6.32 0.00 -1.55 -1.69 119.26 123.96 3h26 h ALA 158 Ca 0.16 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3h26 h ALA 158 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3h26 h ALA 158 CO 0.04 0.49 -0.43 -0.44 0.00 0.00 0.00 179.25 178.91 3h26 h ASP 159 N 0.94 0.75 -0.10 0.00 3.32 -0.25 -1.06 116.42 120.02 3h26 h ASP 159 Ca 0.22 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.76 3h26 h ASP 159 Cb 0.23 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3h26 h ASP 159 CO -0.01 1.16 -0.18 -0.03 -1.72 0.00 0.00 179.24 178.45 3h26 h MET 160 N 0.37 -0.23 -0.58 3.56 4.05 -0.25 0.49 114.93 122.34 3h26 h MET 160 Ca 0.01 0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3h26 h MET 160 Cb 1.03 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.86 3h26 h MET 160 CO 0.10 -0.15 0.21 0.82 0.23 0.00 0.00 176.91 178.12 3h26 h ILE 161 N -0.24 1.23 -0.22 1.77 2.04 -1.33 0.88 117.51 121.64 3h26 h ILE 161 Ca 0.09 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.24 3h26 h ILE 161 Cb 0.37 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3h26 h ILE 161 CO -0.24 0.28 0.02 0.00 0.00 0.00 0.00 178.15 178.21 3h26 h ALA 162 N 1.07 0.20 -0.05 1.87 0.00 -0.84 -1.06 119.26 120.46 3h26 h ALA 162 Ca 0.19 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h26 h ALA 162 Cb 0.23 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h26 h ALA 162 CO -0.01 -0.41 0.02 -0.44 0.00 0.00 0.00 179.25 178.41 3h26 h ASP 163 N 0.09 0.06 -0.96 0.00 3.32 0.32 -1.75 116.42 117.50 3h26 h ASP 163 Ca 0.10 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 57.08 3h26 h ASP 163 Cb 0.12 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 3h26 h ASP 163 CO -0.16 0.18 0.62 -0.07 -1.72 0.00 0.00 179.24 178.10 3h26 h LEU 164 N -0.06 0.98 -0.81 1.55 3.38 -0.80 -1.65 115.31 117.89 3h26 h LEU 164 Ca 0.02 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3h26 h LEU 164 Cb 0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3h26 h LEU 164 CO -0.00 0.63 0.26 0.22 0.09 0.00 0.00 178.44 179.64 3h26 h TYR 165 N 1.11 1.17 -0.22 1.13 3.20 -0.72 -1.27 116.97 121.37 3h26 h TYR 165 Ca 0.41 -0.10 0.05 0.00 3.14 0.00 0.00 58.73 62.23 3h26 h TYR 165 Cb 0.18 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3h26 h TYR 165 CO -0.00 0.91 0.16 -0.44 -1.64 0.00 0.00 178.16 177.15 3h26 h ASP 166 N 1.11 0.07 -0.12 -2.11 3.32 -0.44 -0.33 116.42 117.92 3h26 h ASP 166 Ca 0.25 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 3h26 h ASP 166 Cb 0.27 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3h26 h ASP 166 CO -0.01 0.05 -0.08 0.28 -1.72 0.00 0.00 179.24 177.76 3h26 h SER 167 N 0.08 0.27 -0.69 6.45 0.02 -0.75 -3.00 113.55 115.93 3h26 h SER 167 Ca 0.10 -0.44 0.06 0.00 -0.84 0.00 0.00 61.79 60.67 3h26 h SER 167 Cb 0.30 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 3h26 h SER 167 CO -0.01 0.65 0.39 0.40 -1.14 0.00 0.00 176.83 177.12 3h26 h ILE 168 N -0.11 0.97 -0.12 3.27 2.04 -0.40 -1.26 117.51 121.90 3h26 h ILE 168 Ca 0.02 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.69 3h26 h ILE 168 Cb 0.56 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3h26 h ILE 168 CO 0.02 0.13 -0.23 0.50 0.00 0.00 0.00 178.15 178.57 3h26 h LYS 169 N 0.71 -0.28 -0.42 2.37 1.63 -1.12 0.10 116.57 119.56 3h26 h LYS 169 Ca 0.31 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.17 3h26 h LYS 169 Cb 0.19 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 3h26 h LYS 169 CO -0.18 -0.19 0.17 0.82 -3.45 0.00 0.00 179.45 176.62 3h26 h ILE 170 N -0.29 0.91 0.84 2.00 2.04 -1.26 -0.31 117.51 121.44 3h26 h ILE 170 Ca 0.10 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3h26 h ILE 170 Cb 0.44 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3h26 h ILE 170 CO -0.29 0.06 -0.41 0.00 0.00 0.00 0.00 178.15 177.51 3h26 h ALA 171 N 1.26 -1.14 -0.97 1.87 0.00 -0.87 -2.74 119.26 116.66 3h26 h ALA 171 Ca 0.19 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3h26 h ALA 171 Cb 0.15 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3h26 h ALA 171 CO -0.17 -1.14 0.63 0.87 0.00 0.00 0.00 179.25 179.43 3h26 h LYS 172 N -1.14 1.13 0.00 0.00 1.57 -0.66 -0.39 116.57 117.07 3h26 h LYS 172 Ca -0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3h26 h LYS 172 Cb 0.88 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3h26 h LYS 172 CO 0.18 0.75 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.35 3h26 h ASP 173 N 1.16 0.00 -0.20 0.86 3.45 -1.04 -2.00 116.42 118.65 3h26 h ASP 173 Ca 0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.87 3h26 h ASP 173 Cb 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3h26 h ASP 173 CO -0.16 0.02 0.00 0.00 -1.57 0.00 0.00 179.24 177.53 3h26 n ALA 174 N -2.12 2.48 0.00 3.45 0.00 -0.18 -4.95 120.51 119.18 3h26 n ALA 174 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3h26 n ALA 174 Cb 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3h26 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h26 n GLY 175 N 1.32 0.51 3.68 0.00 0.00 -0.75 -4.64 105.19 105.30 3h26 n GLY 175 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3h26 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h26 s VAL 176 N -2.00 2.79 0.38 1.61 1.01 -1.05 -4.89 120.40 118.25 3h26 s VAL 176 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 3h26 s VAL 176 Cb 0.00 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 3h26 s VAL 176 CO 0.00 -0.00 1.16 -0.13 0.00 0.00 0.00 175.10 176.12 3h26 s ARG 177 N 3.15 4.15 0.36 2.72 0.52 -1.26 -4.29 118.95 124.30 3h26 s ARG 177 Ca 0.81 1.83 0.16 0.00 -0.52 0.00 0.00 55.73 58.01 3h26 s ARG 177 Cb -0.43 -2.75 1.09 0.00 0.52 0.00 0.00 34.95 33.38 3h26 s ARG 177 CO 0.36 -0.23 1.70 -0.44 0.02 0.00 0.00 175.30 176.71 3h26 h ASP 178 N 2.81 0.50 0.53 0.23 3.32 -1.97 0.17 116.42 122.02 3h26 h ASP 178 Ca -0.48 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3h26 h ASP 178 Cb 1.23 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3h26 h ASP 178 CO 0.63 -0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 177.49 3h26 n GLU 179 N -4.87 0.27 -0.66 3.56 1.02 -1.26 -1.94 120.64 116.77 3h26 n GLU 179 Ca 0.30 0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.59 3h26 n GLU 179 Cb 0.97 -1.50 0.34 0.00 -0.02 0.00 0.00 31.44 31.23 3h26 n GLU 179 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h26 n ASN 180 N -1.33 4.83 -4.39 1.62 5.03 0.60 -4.80 115.26 116.83 3h26 n ASN 180 Ca 0.10 -2.70 -0.34 0.00 0.87 0.00 0.00 54.58 52.51 3h26 n ASN 180 Cb 0.21 -0.59 -0.13 0.00 -1.02 0.00 0.00 39.78 38.25 3h26 n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h26 s ILE 181 N -2.30 3.53 -0.00 2.41 1.01 -0.82 -0.21 121.20 124.82 3h26 s ILE 181 Ca 0.49 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.75 3h26 s ILE 181 Cb 0.35 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3h26 s ILE 181 CO 0.18 0.46 -0.24 -0.63 0.00 0.00 0.00 174.94 174.71 3h26 s ILE 182 N 0.91 1.91 0.29 2.92 1.01 -0.89 -4.28 121.20 123.07 3h26 s ILE 182 Ca -0.01 -1.10 0.08 0.00 0.00 0.00 0.00 60.65 59.62 3h26 s ILE 182 Cb -0.15 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 3h26 s ILE 182 CO 0.01 0.48 0.19 -0.76 0.00 0.00 0.00 174.94 174.86 3h26 s LEU 183 N -0.72 3.57 -0.20 2.97 1.43 0.05 -0.37 118.68 125.40 3h26 s LEU 183 Ca 0.09 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 3h26 s LEU 183 Cb -0.09 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.09 3h26 s LEU 183 CO -0.00 -0.16 0.47 -0.62 0.23 0.00 0.00 176.35 176.27 3h26 s ASP 184 N -3.86 -0.55 0.38 2.29 -1.08 -0.83 -0.38 116.67 112.64 3h26 s ASP 184 Ca 0.36 1.07 0.27 0.00 -0.52 0.00 0.00 52.55 53.73 3h26 s ASP 184 Cb -0.06 1.14 1.29 0.00 -1.46 0.00 0.00 42.92 43.83 3h26 s ASP 184 CO 0.24 -0.21 1.83 1.55 0.52 0.00 0.00 175.17 179.10 3h26 h PRO 185 N 7.47 0.00 -4.93 4.34 0.13 -1.88 0.39 132.00 137.52 3h26 h PRO 185 Ca -0.28 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.65 3h26 h PRO 185 Cb 1.16 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.45 3h26 h PRO 185 CO 0.21 0.00 -0.68 0.41 -0.23 0.00 0.00 178.00 177.71 3h26 n GLY 186 N -0.53 -0.73 3.75 1.56 0.00 -1.26 -4.35 105.19 103.63 3h26 n GLY 186 Ca 0.00 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 3h26 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h26 s ILE 187 N -3.31 2.74 0.00 -0.61 -1.09 -1.26 -2.59 121.20 115.08 3h26 s ILE 187 Ca 0.36 0.64 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 3h26 s ILE 187 Cb -0.05 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 3h26 s ILE 187 CO 0.58 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 3h26 n GLY 188 N 2.03 0.74 3.19 6.18 0.00 -1.26 -4.92 105.19 111.15 3h26 n GLY 188 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3h26 n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h26 s PHE 189 N -2.71 2.71 -1.48 1.61 0.40 -1.07 -4.73 117.98 112.72 3h26 s PHE 189 Ca 0.00 -1.28 -0.13 0.00 -0.60 0.00 0.00 56.93 54.92 3h26 s PHE 189 Cb 0.00 -1.85 0.10 0.00 0.51 0.00 0.00 43.02 41.78 3h26 s PHE 189 CO 0.00 -0.59 0.70 0.00 0.70 0.00 0.00 175.22 176.03 3h26 n ALA 190 N 4.12 -1.17 -3.69 5.36 0.00 -1.26 -4.83 120.51 119.04 3h26 n ALA 190 Ca -0.20 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 3h26 n ALA 190 Cb 0.51 -3.45 -0.13 0.00 0.00 0.00 0.00 19.45 16.39 3h26 n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h26 s LYS 191 N -6.43 0.20 0.93 0.00 1.02 -1.26 -4.68 119.74 109.51 3h26 s LYS 191 Ca 0.57 0.67 -0.11 0.00 0.02 0.00 0.00 55.97 57.12 3h26 s LYS 191 Cb -0.30 -0.06 0.15 0.00 -0.52 0.00 0.00 37.83 37.10 3h26 s LYS 191 CO 0.70 -0.22 1.11 0.95 -0.92 0.00 0.00 175.35 176.97 3h26 s THR 192 N 1.85 2.35 0.29 2.17 -4.23 -1.26 -4.68 115.64 112.13 3h26 s THR 192 Ca -0.04 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 3h26 s THR 192 Cb -0.11 -2.28 0.31 0.00 1.34 0.00 0.00 72.50 71.76 3h26 s THR 192 CO -0.09 -0.15 1.66 -0.65 -0.54 0.00 0.00 174.62 174.85 3h26 h PRO 193 N -1.83 0.26 -0.29 3.99 0.11 -1.99 -1.09 132.00 131.15 3h26 h PRO 193 Ca -0.47 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 3h26 h PRO 193 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h26 h PRO 193 CO 0.46 0.17 -0.55 0.93 -0.21 0.00 0.00 178.00 178.80 3h26 h GLU 194 N 0.26 0.88 -0.92 1.05 3.07 -1.99 -2.88 114.58 114.06 3h26 h GLU 194 Ca 0.57 -0.56 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3h26 h GLU 194 Cb 1.17 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.10 3h26 h GLU 194 CO -0.62 1.20 0.59 1.96 -1.40 0.00 0.00 179.01 180.74 3h26 h GLN 195 N 0.67 1.22 -0.52 2.33 4.20 -1.71 -0.23 115.11 121.08 3h26 h GLN 195 Ca 0.01 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.66 3h26 h GLN 195 Cb 1.16 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 3h26 h GLN 195 CO 0.12 0.82 0.32 -0.91 -0.67 0.00 0.00 178.83 178.52 3h26 h ASN 196 N 1.26 0.53 -0.56 1.46 2.35 -1.16 0.94 115.58 120.40 3h26 h ASN 196 Ca 0.34 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.09 3h26 h ASN 196 Cb -0.12 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 3h26 h ASN 196 CO -0.07 0.38 0.37 -0.07 -1.65 0.00 0.00 177.43 176.39 3h26 h LEU 197 N 0.64 0.63 -0.68 1.61 3.38 -1.24 -0.15 115.31 119.49 3h26 h LEU 197 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3h26 h LEU 197 Cb -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3h26 h LEU 197 CO -0.08 0.45 0.38 -0.08 0.09 0.00 0.00 178.44 179.21 3h26 h GLU 198 N 0.75 0.95 -0.54 1.13 4.81 -0.58 0.14 114.58 121.23 3h26 h GLU 198 Ca 0.21 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3h26 h GLU 198 Cb -0.07 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 3h26 h GLU 198 CO -0.05 0.71 0.32 0.00 -0.73 0.00 0.00 179.01 179.25 3h26 h ALA 199 N 1.19 0.69 -0.54 2.92 0.00 -0.55 -1.80 119.26 121.17 3h26 h ALA 199 Ca 0.24 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h26 h ALA 199 Cb 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3h26 h ALA 199 CO -0.04 0.18 0.30 0.52 0.00 0.00 0.00 179.25 180.21 3h26 h MET 200 N 0.73 0.58 0.00 0.00 2.86 -0.45 -1.14 114.93 117.50 3h26 h MET 200 Ca 0.19 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 3h26 h MET 200 Cb -0.00 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 3h26 h MET 200 CO -0.04 0.38 -0.10 -0.09 1.06 0.00 0.00 176.91 178.13 3h26 h ARG 201 N 0.59 0.00 -0.00 1.72 2.43 -0.71 -3.12 114.38 115.29 3h26 h ARG 201 Ca 0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3h26 h ARG 201 Cb 0.07 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3h26 h ARG 201 CO -0.12 0.10 -0.02 0.09 -1.51 0.00 0.00 179.97 178.51 3h26 n ASN 202 N -3.30 2.35 -0.33 -3.80 3.02 -0.70 -4.81 115.26 107.69 3h26 n ASN 202 Ca -0.00 -3.12 0.15 0.00 -0.03 0.00 0.00 54.58 51.58 3h26 n ASN 202 Cb 0.31 -0.44 0.34 0.00 -0.61 0.00 0.00 39.78 39.39 3h26 n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3h26 h LEU 203 N 0.06 0.57 -1.96 3.41 3.38 -1.16 -1.80 115.31 117.81 3h26 h LEU 203 Ca 0.00 0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.30 3h26 h LEU 203 Cb 1.01 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3h26 h LEU 203 CO 0.00 0.10 0.57 1.05 0.09 0.00 0.00 178.44 180.25 3h26 h GLU 204 N 0.55 0.00 0.00 1.13 9.09 -1.88 -0.59 114.58 122.89 3h26 h GLU 204 Ca 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.99 3h26 h GLU 204 Cb 1.09 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3h26 h GLU 204 CO -0.47 0.00 -0.08 1.96 0.05 0.00 0.00 179.01 180.47 3h26 h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.66 -1.91 115.11 116.80 3h26 h GLN 205 Ca 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 3h26 h GLN 205 Cb 1.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.24 3h26 h GLN 205 CO -0.00 0.08 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.13 3h26 h LEU 206 N 0.00 0.00 -1.81 1.46 3.38 -1.29 -2.95 115.31 114.09 3h26 h LEU 206 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3h26 h LEU 206 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3h26 h LEU 206 CO 0.01 0.04 -0.15 0.78 0.09 0.00 0.00 178.44 179.21 3h26 h ASN 207 N 0.00 0.00 0.30 -0.43 2.35 -1.52 -2.71 115.58 113.57 3h26 h ASN 207 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h26 h ASN 207 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3h26 h ASN 207 CO 0.00 0.15 0.00 -0.37 -1.65 0.00 0.00 177.43 175.56 3h26 h VAL 208 N 0.00 0.00 0.00 2.81 -1.51 -1.71 -1.93 116.25 113.92 3h26 h VAL 208 Ca -0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3h26 h VAL 208 Cb 0.36 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 3h26 h VAL 208 CO 0.02 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.29 3h26 h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.71 -3.47 115.31 117.70 3h26 h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h26 h LEU 209 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3h26 h LEU 209 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3h26 n GLY 210 N 0.67 0.75 3.40 0.83 0.00 -0.72 -5.07 105.19 105.04 3h26 n GLY 210 Ca 0.03 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 3h26 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h26 s TYR 211 N -2.00 2.31 0.47 1.61 1.51 -1.26 -5.11 117.35 114.89 3h26 s TYR 211 Ca 0.00 -0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 55.45 3h26 s TYR 211 Cb 0.00 -1.23 -0.08 0.00 -0.11 0.00 0.00 41.96 40.54 3h26 s TYR 211 CO 0.00 0.38 1.23 -2.30 -1.11 0.00 0.00 175.55 173.75 3h26 n PRO 212 N 0.76 1.70 -4.90 -1.71 -0.02 -1.26 -4.76 135.00 124.82 3h26 n PRO 212 Ca -0.17 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3h26 n PRO 212 Cb 0.54 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.50 3h26 n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h26 s VAL 213 N -1.27 2.86 -0.07 -1.45 1.01 -1.26 -0.77 120.40 119.46 3h26 s VAL 213 Ca 0.65 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3h26 s VAL 213 Cb -0.48 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3h26 s VAL 213 CO 0.55 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 176.02 3h26 s LEU 214 N 0.04 3.78 -0.10 3.92 2.96 0.49 0.70 118.68 130.48 3h26 s LEU 214 Ca -0.06 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3h26 s LEU 214 Cb -0.15 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3h26 s LEU 214 CO 0.05 0.36 -0.21 -0.22 -1.32 0.00 0.00 176.35 175.00 3h26 s LEU 215 N -1.13 1.98 -0.29 -0.68 2.96 -0.64 -4.11 118.68 116.77 3h26 s LEU 215 Ca 0.16 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3h26 s LEU 215 Cb -0.12 -1.28 0.08 0.00 0.50 0.00 0.00 46.19 45.37 3h26 s LEU 215 CO 0.05 0.11 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.34 3h26 s GLY 216 N 0.51 1.66 0.00 7.98 0.00 -1.26 -0.14 107.32 116.07 3h26 s GLY 216 Ca -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 44.72 42.60 3h26 s GLY 216 CO 0.06 0.84 0.41 -1.30 0.00 0.00 0.00 173.10 173.11 3h26 n THR 217 N 4.43 0.16 -1.70 0.90 -2.24 -1.26 -4.32 114.28 110.26 3h26 n THR 217 Ca -0.07 -0.34 -0.54 0.00 -2.27 0.00 0.00 64.05 60.84 3h26 n THR 217 Cb 0.42 1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.84 3h26 n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h26 n SER 218 N -0.08 2.81 -0.64 3.42 2.88 -1.25 -2.78 113.62 117.98 3h26 n SER 218 Ca 0.00 1.02 -0.07 0.00 -1.33 0.00 0.00 58.87 58.49 3h26 n SER 218 Cb 0.20 -1.23 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 3h26 n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h26 n ARG 219 N 5.96 -1.74 -1.57 -1.46 1.74 -1.26 -4.93 116.66 113.39 3h26 n ARG 219 Ca 0.25 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.73 3h26 n ARG 219 Cb 0.20 -4.94 0.13 0.00 -1.02 0.00 0.00 32.46 26.82 3h26 n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3h26 s LYS 220 N -2.46 1.29 0.17 5.56 1.02 -1.12 -4.78 119.74 119.43 3h26 s LYS 220 Ca 0.00 0.30 -0.16 0.00 0.02 0.00 0.00 55.97 56.13 3h26 s LYS 220 Cb 0.00 -1.86 0.12 0.00 -0.52 0.00 0.00 37.83 35.58 3h26 s LYS 220 CO 0.00 -2.10 1.66 0.77 -0.92 0.00 0.00 175.35 174.77 3h26 h SER 221 N -1.43 -0.38 -0.17 2.83 0.02 -1.92 -2.31 113.55 110.19 3h26 h SER 221 Ca -0.50 0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.63 3h26 h SER 221 Cb 1.33 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 3h26 h SER 221 CO 0.62 -0.14 0.16 2.19 -1.14 0.00 0.00 176.83 178.52 3h26 h PHE 222 N 0.01 0.00 -0.11 3.45 -5.15 -1.93 0.67 116.94 113.89 3h26 h PHE 222 Ca 0.21 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.94 3h26 h PHE 222 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.49 3h26 h PHE 222 CO -0.37 0.00 -0.11 0.82 -2.00 0.00 0.00 178.31 176.65 3h26 h ILE 223 N 0.00 1.36 -0.80 0.88 2.04 -1.78 -2.19 117.51 117.02 3h26 h ILE 223 Ca 0.08 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.70 3h26 h ILE 223 Cb 0.39 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 3h26 h ILE 223 CO -0.00 0.36 0.50 1.23 0.00 0.00 0.00 178.15 180.25 3h26 h GLY 224 N -0.15 1.17 0.79 5.37 0.00 -0.62 -1.11 103.07 108.51 3h26 h GLY 224 Ca 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.01 3h26 h GLY 224 CO 0.03 0.31 0.42 0.84 0.00 0.00 0.00 176.54 178.13 3h26 h HIS 225 N 0.97 0.77 0.08 5.60 -0.00 0.27 0.64 115.15 123.48 3h26 h HIS 225 Ca 0.33 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.72 3h26 h HIS 225 Cb 0.05 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 3h26 h HIS 225 CO -0.03 0.41 -0.04 0.28 -0.00 0.00 0.00 177.93 178.55 3h26 h VAL 226 N 0.79 1.19 0.00 5.26 2.07 -1.09 -3.34 116.25 121.13 3h26 h VAL 226 Ca 0.29 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3h26 h VAL 226 Cb 0.10 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3h26 h VAL 226 CO -0.14 0.30 -0.37 0.18 0.02 0.00 0.00 177.57 177.57 3h26 n LEU 227 N -4.86 0.47 -3.49 2.57 4.77 -0.45 -4.97 117.00 111.04 3h26 n LEU 227 Ca -0.08 0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 3h26 n LEU 227 Cb 0.29 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3h26 n LEU 227 CO 0.30 0.02 0.02 -0.67 -1.33 0.00 0.00 177.39 175.73 3h26 n ASP 228 N -1.74 -6.09 -3.77 -1.43 2.03 0.22 -5.03 116.55 100.73 3h26 n ASP 228 Ca 0.05 -0.65 -0.13 0.00 0.52 0.00 0.00 54.79 54.58 3h26 n ASP 228 Cb 0.37 -3.52 -0.11 0.00 -0.72 0.00 0.00 41.12 37.15 3h26 n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h26 s LEU 229 N -5.03 0.81 0.84 -2.67 1.43 -1.14 -5.06 118.68 107.86 3h26 s LEU 229 Ca 0.14 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 3h26 s LEU 229 Cb -0.05 1.11 0.09 0.00 0.03 0.00 0.00 46.19 47.37 3h26 s LEU 229 CO 0.83 -0.16 1.09 -2.16 0.23 0.00 0.00 176.35 176.19 3h26 s PRO 230 N -0.05 1.73 0.28 1.29 0.04 -1.26 -4.38 135.00 132.66 3h26 s PRO 230 Ca -0.02 0.76 0.02 0.00 0.04 0.00 0.00 61.00 61.80 3h26 s PRO 230 Cb -0.03 -1.87 0.68 0.00 0.04 0.00 0.00 34.50 33.33 3h26 s PRO 230 CO 0.01 -1.90 1.67 -0.24 0.04 0.00 0.00 177.00 176.59 3h26 h VAL 231 N -1.30 0.41 0.00 -0.36 3.04 -1.97 0.26 116.25 116.34 3h26 h VAL 231 Ca -0.48 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3h26 h VAL 231 Cb 1.27 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3h26 h VAL 231 CO 0.57 0.05 0.00 -1.84 -1.01 0.00 0.00 177.57 175.34 3h26 n GLU 232 N -5.14 0.62 -0.67 4.17 0.00 -1.26 -2.85 120.64 115.51 3h26 n GLU 232 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.40 3h26 n GLU 232 Cb 0.64 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.79 3h26 n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3h26 n GLU 233 N -1.04 1.68 -0.28 3.44 -0.58 0.91 -4.78 120.64 119.99 3h26 n GLU 233 Ca 0.15 -3.26 0.09 0.00 -0.42 0.00 0.00 57.16 53.72 3h26 n GLU 233 Cb 0.08 -1.69 0.21 0.00 -0.57 0.00 0.00 31.44 29.47 3h26 n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3h26 n ARG 234 N -1.13 2.31 0.06 3.49 1.74 -1.13 -4.74 116.66 117.26 3h26 n ARG 234 Ca 0.24 -2.69 -0.13 0.00 -0.77 0.00 0.00 57.85 54.51 3h26 n ARG 234 Cb 0.82 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 3h26 n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h26 h LEU 235 N 1.09 -0.09 -0.43 0.55 6.46 -1.86 0.11 115.31 121.14 3h26 h LEU 235 Ca 0.00 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3h26 h LEU 235 Cb 1.23 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 3h26 h LEU 235 CO 0.13 0.09 0.19 -0.33 -0.62 0.00 0.00 178.44 177.90 3h26 h GLU 236 N -0.27 0.63 -0.31 1.25 3.07 -1.99 0.59 114.58 117.54 3h26 h GLU 236 Ca -0.01 -0.10 0.05 0.00 -0.50 0.00 0.00 59.36 58.79 3h26 h GLU 236 Cb 0.23 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 3h26 h GLU 236 CO 0.02 0.56 0.04 0.78 -1.40 0.00 0.00 179.01 179.01 3h26 h GLY 237 N 0.55 0.34 0.68 -3.84 0.00 -1.86 -1.10 103.07 97.85 3h26 h GLY 237 Ca 0.15 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.51 3h26 h GLY 237 CO -0.02 -0.03 -0.04 -0.84 0.00 0.00 0.00 176.54 175.61 3h26 h THR 238 N 0.15 0.84 -0.48 4.70 2.02 -0.52 -2.49 112.91 117.13 3h26 h THR 238 Ca 0.15 -0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.42 3h26 h THR 238 Cb 0.17 0.84 -0.10 0.00 -1.74 0.00 0.00 68.15 67.32 3h26 h THR 238 CO -0.21 0.00 -0.20 1.23 0.37 0.00 0.00 175.52 176.71 3h26 h GLY 239 N 0.00 0.15 0.72 2.16 0.00 -0.38 -0.57 103.07 105.16 3h26 h GLY 239 Ca 0.08 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.72 3h26 h GLY 239 CO -0.16 -0.21 0.44 0.00 0.00 0.00 0.00 176.54 176.61 3h26 h ALA 240 N 1.24 1.01 -0.59 3.60 0.00 -1.00 -0.32 119.26 123.21 3h26 h ALA 240 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3h26 h ALA 240 Cb 0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3h26 h ALA 240 CO -0.54 0.16 0.13 1.79 0.00 0.00 0.00 179.25 180.79 3h26 h THR 241 N 0.82 1.24 -0.50 0.00 1.35 -0.83 -2.08 112.91 112.92 3h26 h THR 241 Ca 0.33 -0.89 -0.10 0.00 -0.55 0.00 0.00 66.41 65.20 3h26 h THR 241 Cb 0.16 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 3h26 h THR 241 CO -0.17 0.33 -0.09 0.58 -0.25 0.00 0.00 175.52 175.93 3h26 h VAL 242 N 0.89 1.26 -0.03 6.82 2.07 -0.17 -0.56 116.25 126.53 3h26 h VAL 242 Ca 0.19 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 3h26 h VAL 242 Cb 0.34 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3h26 h VAL 242 CO 0.00 0.42 -0.01 0.00 0.02 0.00 0.00 177.57 178.00 3h26 h LEU 244 N -0.31 0.42 -0.58 0.00 5.85 -1.37 0.86 115.31 120.17 3h26 h LEU 244 Ca 0.01 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.78 3h26 h LEU 244 Cb 0.39 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 3h26 h LEU 244 CO 0.00 0.37 -0.06 1.23 -0.34 0.00 0.00 178.44 179.64 3h26 h GLY 245 N 0.44 0.54 0.90 3.75 0.00 -1.02 0.53 103.07 108.21 3h26 h GLY 245 Ca 0.12 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 3h26 h GLY 245 CO -0.02 -0.20 0.08 -2.22 0.00 0.00 0.00 176.54 174.17 3h26 h ILE 246 N 0.06 1.22 -0.93 2.60 2.04 -0.73 -1.75 117.51 120.02 3h26 h ILE 246 Ca 0.30 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.49 3h26 h ILE 246 Cb 0.47 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3h26 h ILE 246 CO -0.54 0.24 0.61 -0.08 0.00 0.00 0.00 178.15 178.38 3h26 h GLU 247 N 0.34 1.06 -0.06 2.37 4.22 0.39 -0.71 114.58 122.19 3h26 h GLU 247 Ca 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.47 3h26 h GLU 247 Cb 0.29 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3h26 h GLU 247 CO 0.00 0.70 0.00 1.63 -2.18 0.00 0.00 179.01 179.16 3h26 n LYS 248 N -4.48 1.17 -0.07 1.92 5.02 0.17 -4.90 118.16 116.99 3h26 n LYS 248 Ca 0.14 -0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 3h26 n LYS 248 Cb 0.18 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3h26 n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h26 n GLY 249 N 0.71 0.87 3.78 0.72 0.00 -0.27 -3.91 105.19 107.09 3h26 n GLY 249 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3h26 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h26 n GLU 251 N -2.56 1.04 -4.20 0.00 4.71 0.22 -4.70 120.64 115.14 3h26 n GLU 251 Ca 0.09 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.16 57.08 3h26 n GLU 251 Cb 0.53 -1.46 -0.11 0.00 -1.01 0.00 0.00 31.44 29.38 3h26 n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3h26 s PHE 252 N -2.44 1.20 -0.02 -0.32 0.40 -1.06 -1.07 117.98 114.68 3h26 s PHE 252 Ca -0.09 -0.59 0.05 0.00 -0.60 0.00 0.00 56.93 55.70 3h26 s PHE 252 Cb 0.05 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.93 3h26 s PHE 252 CO 0.74 0.06 -0.18 0.14 0.70 0.00 0.00 175.22 176.68 3h26 s VAL 253 N -2.18 1.44 -0.43 -0.44 -7.23 -0.54 -1.62 120.40 109.39 3h26 s VAL 253 Ca 0.06 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 3h26 s VAL 253 Cb -0.05 -1.21 0.04 0.00 0.56 0.00 0.00 36.38 35.73 3h26 s VAL 253 CO 0.01 0.41 0.32 -0.60 -0.31 0.00 0.00 175.10 174.93 3h26 s ARG 254 N -0.30 2.93 0.10 4.82 3.52 0.80 -0.12 118.95 130.69 3h26 s ARG 254 Ca 0.04 -1.18 0.03 0.00 -0.13 0.00 0.00 55.73 54.49 3h26 s ARG 254 Cb -0.08 -3.99 -0.04 0.00 -1.56 0.00 0.00 34.95 29.28 3h26 s ARG 254 CO 0.00 -0.86 -0.09 0.14 -0.81 0.00 0.00 175.30 173.68 3h26 s VAL 255 N 1.63 0.89 -0.06 7.11 -7.23 0.24 -3.88 120.40 119.10 3h26 s VAL 255 Ca 0.04 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 3h26 s VAL 255 Cb -0.21 -1.41 -0.30 0.00 0.56 0.00 0.00 36.38 35.02 3h26 s VAL 255 CO 0.08 -0.62 0.70 0.45 -0.31 0.00 0.00 175.10 175.40 3h26 h HIS 256 N 3.45 0.65 -2.95 2.82 3.86 -1.89 -0.91 115.15 120.19 3h26 h HIS 256 Ca -0.37 -0.47 -0.76 0.00 -1.16 0.00 0.00 60.37 57.61 3h26 h HIS 256 Cb 1.19 -0.03 -0.23 0.00 1.06 0.00 0.00 27.41 29.40 3h26 h HIS 256 CO 0.63 1.58 0.78 -0.51 0.86 0.00 0.00 177.93 181.27 3h26 s ASP 257 N -7.22 7.07 0.04 2.45 1.11 -1.26 -4.74 116.67 114.12 3h26 s ASP 257 Ca -0.16 -3.06 -0.24 0.00 0.18 0.00 0.00 52.55 49.27 3h26 s ASP 257 Cb 0.04 -2.30 -0.17 0.00 1.07 0.00 0.00 42.92 41.56 3h26 s ASP 257 CO 0.84 -0.59 1.51 0.58 1.18 0.00 0.00 175.17 178.69 3h26 h VAL 258 N 4.46 1.14 -0.24 -1.27 2.07 -1.90 -1.17 116.25 119.33 3h26 h VAL 258 Ca 0.22 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.28 3h26 h VAL 258 Cb 0.92 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 3h26 h VAL 258 CO 1.07 0.13 -0.19 0.50 0.02 0.00 0.00 177.57 179.10 3h26 h LYS 259 N -0.26 -0.18 -0.22 1.57 3.64 -1.90 0.53 116.57 119.76 3h26 h LYS 259 Ca -0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3h26 h LYS 259 Cb 0.24 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3h26 h LYS 259 CO 0.01 -0.12 -0.01 0.93 -2.27 0.00 0.00 179.45 177.99 3h26 h GLU 260 N -0.18 0.39 -0.04 1.90 3.07 -1.86 -3.01 114.58 114.85 3h26 h GLU 260 Ca 0.14 -0.13 -0.14 0.00 -0.50 0.00 0.00 59.36 58.73 3h26 h GLU 260 Cb 0.39 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3h26 h GLU 260 CO -0.36 0.59 -0.61 0.52 -1.40 0.00 0.00 179.01 177.75 3h26 h MET 261 N 0.15 0.15 -0.58 2.33 2.86 -1.15 -2.65 114.93 116.05 3h26 h MET 261 Ca 0.06 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3h26 h MET 261 Cb 0.42 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 3h26 h MET 261 CO 0.01 0.71 0.32 0.77 1.06 0.00 0.00 176.91 179.78 3h26 h SER 262 N 0.11 0.47 -0.07 1.22 0.02 -0.87 0.25 113.55 114.69 3h26 h SER 262 Ca -0.01 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 3h26 h SER 262 Cb 1.10 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3h26 h SER 262 CO 0.09 0.32 -0.38 0.03 -1.14 0.00 0.00 176.83 175.75 3h26 h ARG 263 N 0.61 0.58 -0.08 3.45 3.08 -1.37 -0.04 114.38 120.60 3h26 h ARG 263 Ca 0.25 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3h26 h ARG 263 Cb 0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3h26 h ARG 263 CO -0.15 0.87 -0.14 0.52 -1.07 0.00 0.00 179.97 180.00 3h26 h MET 264 N 0.48 0.24 -0.60 0.04 2.86 -1.21 -2.06 114.93 114.69 3h26 h MET 264 Ca 0.05 -0.15 0.12 0.00 -2.06 0.00 0.00 59.70 57.66 3h26 h MET 264 Cb 0.88 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.45 3h26 h MET 264 CO 0.08 0.72 0.02 0.00 1.06 0.00 0.00 176.91 178.78 3h26 h ALA 265 N 0.52 0.61 -0.48 6.32 0.00 -0.42 0.82 119.26 126.62 3h26 h ALA 265 Ca 0.01 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3h26 h ALA 265 Cb 0.70 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3h26 h ALA 265 CO 0.03 -0.38 -0.10 -0.22 0.00 0.00 0.00 179.25 178.57 3h26 h LYS 266 N 0.13 0.92 -0.52 0.00 3.64 -0.97 0.81 116.57 120.59 3h26 h LYS 266 Ca 0.31 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3h26 h LYS 266 Cb 0.50 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3h26 h LYS 266 CO -0.50 1.00 0.06 1.98 -2.27 0.00 0.00 179.45 179.72 3h26 h MET 267 N 0.77 0.88 -0.03 1.90 4.05 -0.92 -1.74 114.93 119.85 3h26 h MET 267 Ca 0.12 -0.25 0.02 0.00 -0.28 0.00 0.00 59.70 59.31 3h26 h MET 267 Cb 0.65 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 3h26 h MET 267 CO 0.05 0.88 -0.08 0.52 0.23 0.00 0.00 176.91 178.51 3h26 h MET 268 N 0.76 -0.12 -0.41 0.39 2.86 -0.60 -1.91 114.93 115.91 3h26 h MET 268 Ca 0.15 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.89 3h26 h MET 268 Cb 0.45 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 3h26 h MET 268 CO 0.02 -0.08 -0.25 -0.44 1.06 0.00 0.00 176.91 177.22 3h26 h ASP 269 N -0.12 -0.85 -0.31 1.22 3.45 -0.61 0.20 116.42 119.41 3h26 h ASP 269 Ca 0.04 0.17 0.06 0.00 0.43 0.00 0.00 57.03 57.73 3h26 h ASP 269 Cb 0.18 0.43 -0.05 0.00 -0.56 0.00 0.00 39.33 39.32 3h26 h ASP 269 CO -0.10 -0.27 -0.02 0.00 -1.57 0.00 0.00 179.24 177.28 3h26 h ALA 270 N 1.00 0.26 -0.14 3.45 0.00 -1.17 0.11 119.26 122.77 3h26 h ALA 270 Ca 0.19 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3h26 h ALA 270 Cb 0.48 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3h26 h ALA 270 CO -0.51 -0.42 0.01 0.52 0.00 0.00 0.00 179.25 178.84 3h26 h MET 271 N 0.07 0.24 0.00 0.00 2.86 -0.42 -3.02 114.93 114.66 3h26 h MET 271 Ca 0.15 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3h26 h MET 271 Cb 0.21 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3h26 h MET 271 CO -0.26 0.46 0.00 -0.84 1.06 0.00 0.00 176.91 177.32 3h26 h ILE 272 N -0.00 0.00 -0.29 -1.22 3.07 -0.52 -3.47 117.51 115.07 3h26 h ILE 272 Ca 0.04 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.81 3h26 h ILE 272 Cb 0.34 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 3h26 h ILE 272 CO 0.01 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.72 3h26 n GLY 273 N 0.75 1.08 0.60 0.16 0.00 0.21 -5.08 105.19 102.91 3h26 n GLY 273 Ca 0.03 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3h26 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49