#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6m s HIS 8 N 0.00 0.51 0.10 -1.77 3.76 -1.26 -5.10 115.29 111.52 3h6m s HIS 8 Ca 0.00 -0.25 -0.20 0.00 -0.15 0.00 0.00 55.06 54.46 3h6m s HIS 8 Cb 0.00 -0.32 -0.07 0.00 1.11 0.00 0.00 32.58 33.30 3h6m s HIS 8 CO 0.00 -0.04 0.60 0.15 -0.85 0.00 0.00 174.74 174.60 3h6m s LYS 9 N -0.70 4.23 0.11 1.40 1.02 -1.26 -4.23 119.74 120.31 3h6m s LYS 9 Ca -0.03 0.77 0.06 0.00 0.02 0.00 0.00 55.97 56.79 3h6m s LYS 9 Cb -0.05 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 3h6m s LYS 9 CO -0.00 0.60 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.66 3h6m s GLU 10 N -1.27 0.99 0.63 1.68 2.02 0.36 -4.95 118.70 118.16 3h6m s GLU 10 Ca 0.32 -1.15 -0.15 0.00 0.02 0.00 0.00 54.97 54.01 3h6m s GLU 10 Cb -0.19 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.04 3h6m s GLU 10 CO 0.20 0.21 1.08 -1.25 0.02 0.00 0.00 175.26 175.52 3h6m s PRO 11 N -2.27 3.05 0.15 0.39 0.05 -1.26 -0.56 135.00 134.55 3h6m s PRO 11 Ca 0.05 1.27 -0.23 0.00 0.05 0.00 0.00 61.00 62.15 3h6m s PRO 11 Cb -0.07 -1.99 0.07 0.00 0.05 0.00 0.00 34.50 32.55 3h6m s PRO 11 CO 0.03 -1.03 0.59 0.00 0.05 0.00 0.00 177.00 176.64 3h6m s ALA 12 N -2.44 -1.57 0.17 8.56 0.00 -1.04 -4.53 121.76 120.90 3h6m s ALA 12 Ca 0.65 0.50 0.09 0.00 0.00 0.00 0.00 51.96 53.20 3h6m s ALA 12 Cb -0.18 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3h6m s ALA 12 CO 0.40 -0.74 -0.20 0.95 0.00 0.00 0.00 175.76 176.17 3h6m s THR 13 N -3.61 1.96 0.13 0.00 -4.23 -0.87 -4.12 115.64 104.89 3h6m s THR 13 Ca 0.00 -1.91 -0.31 0.00 -1.18 0.00 0.00 61.69 58.30 3h6m s THR 13 Cb -0.01 -1.89 -0.07 0.00 1.34 0.00 0.00 72.50 71.87 3h6m s THR 13 CO -0.12 -0.23 1.28 -0.22 -0.54 0.00 0.00 174.62 174.80 3h6m s LEU 14 N -2.57 4.39 -0.24 4.79 2.96 -1.26 -0.24 118.68 126.50 3h6m s LEU 14 Ca 0.16 2.23 -0.16 0.00 -0.22 0.00 0.00 54.13 56.14 3h6m s LEU 14 Cb -0.07 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.92 3h6m s LEU 14 CO 0.07 -0.52 -0.26 -0.38 -1.32 0.00 0.00 176.35 173.94 3h6m n ILE 15 N 3.42 1.52 -3.63 6.68 5.41 -0.32 -4.80 119.36 127.64 3h6m n ILE 15 Ca 0.08 -0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.53 3h6m n ILE 15 Cb 0.44 -2.04 -0.07 0.00 -0.71 0.00 0.00 39.64 37.26 3h6m n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3h6m s LYS 16 N -2.56 0.79 0.51 0.38 2.20 -0.77 -5.02 119.74 115.27 3h6m s LYS 16 Ca -0.34 1.00 -0.23 0.00 -0.36 0.00 0.00 55.97 56.05 3h6m s LYS 16 Cb 0.10 0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 36.71 3h6m s LYS 16 CO 0.48 -0.10 1.32 0.00 -0.36 0.00 0.00 175.35 176.68 3h6m s ALA 17 N 0.59 2.93 0.00 3.13 0.00 -1.26 -0.90 121.76 126.25 3h6m s ALA 17 Ca -0.02 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3h6m s ALA 17 Cb -0.05 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3h6m s ALA 17 CO -0.03 -1.16 0.00 -0.89 0.00 0.00 0.00 175.76 173.68 3h6m n ILE 18 N -0.74 0.04 -2.58 0.00 5.41 -1.18 -4.81 119.36 115.51 3h6m n ILE 18 Ca 0.09 0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3h6m n ILE 18 Cb 0.45 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 3h6m n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3h6m n ASP 19 N -2.54 0.00 0.08 4.38 5.75 -0.77 -5.01 116.55 118.44 3h6m n ASP 19 Ca 0.00 -0.13 0.01 0.00 -0.01 0.00 0.00 54.79 54.66 3h6m n ASP 19 Cb 0.00 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 40.44 3h6m n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3h6m h GLY 20 N 0.00 0.36 -0.12 6.12 0.00 -1.83 -3.22 103.07 104.38 3h6m h GLY 20 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3h6m h GLY 20 CO 0.00 0.21 -0.06 2.09 0.00 0.00 0.00 176.54 178.78 3h6m n ASP 21 N -4.27 1.75 -4.01 0.19 5.68 -1.26 -4.74 116.55 109.89 3h6m n ASP 21 Ca -0.00 -2.42 -0.13 0.00 -0.50 0.00 0.00 54.79 51.75 3h6m n ASP 21 Cb 0.27 -0.22 -0.12 0.00 -1.14 0.00 0.00 41.12 39.90 3h6m n ASP 21 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3h6m s THR 22 N -1.66 0.37 -0.10 2.12 -4.23 -1.22 -1.17 115.64 109.75 3h6m s THR 22 Ca 0.15 -0.78 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 3h6m s THR 22 Cb 0.13 -0.42 0.03 0.00 1.34 0.00 0.00 72.50 73.58 3h6m s THR 22 CO 0.01 -0.28 0.37 -0.69 -0.54 0.00 0.00 174.62 173.49 3h6m s VAL 23 N -1.03 0.02 -0.24 2.29 1.01 -0.80 -1.86 120.40 119.80 3h6m s VAL 23 Ca -0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 3h6m s VAL 23 Cb -0.08 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3h6m s VAL 23 CO -0.00 -0.09 0.40 -0.75 0.00 0.00 0.00 175.10 174.66 3h6m s LYS 24 N -0.35 4.09 0.12 2.72 2.47 -0.07 -0.12 119.74 128.60 3h6m s LYS 24 Ca -0.05 0.14 0.06 0.00 -1.56 0.00 0.00 55.97 54.56 3h6m s LYS 24 Cb -0.03 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.70 3h6m s LYS 24 CO 0.02 -0.18 -0.14 -0.51 0.16 0.00 0.00 175.35 174.71 3h6m s LEU 25 N 1.75 2.40 -0.30 5.43 1.43 -0.33 -1.17 118.68 127.90 3h6m s LEU 25 Ca 0.17 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.30 3h6m s LEU 25 Cb -0.15 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.50 3h6m s LEU 25 CO 0.09 -0.15 0.44 -0.32 0.23 0.00 0.00 176.35 176.63 3h6m s MET 26 N -2.68 3.87 -0.07 1.70 -2.45 0.66 -0.46 119.30 119.87 3h6m s MET 26 Ca 0.09 -0.01 0.02 0.00 -1.25 0.00 0.00 55.69 54.54 3h6m s MET 26 Cb -0.05 -3.71 0.02 0.00 1.25 0.00 0.00 34.83 32.34 3h6m s MET 26 CO 0.03 -0.41 -0.11 -0.47 1.05 0.00 0.00 175.02 175.10 3h6m s TYR 27 N 2.19 1.45 -1.29 4.11 5.04 -0.08 -2.06 117.35 126.72 3h6m s TYR 27 Ca 0.17 -0.57 -0.11 0.00 -2.44 0.00 0.00 57.07 54.12 3h6m s TYR 27 Cb -0.16 -1.09 0.09 0.00 0.35 0.00 0.00 41.96 41.15 3h6m s TYR 27 CO 0.11 -0.32 0.50 1.63 -1.34 0.00 0.00 175.55 176.13 3h6m n LYS 28 N 4.03 -3.19 -1.00 4.97 5.02 -1.26 -1.14 118.16 125.59 3h6m n LYS 28 Ca -0.21 0.42 -0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3h6m n LYS 28 Cb 0.51 -5.11 -0.00 0.00 -0.02 0.00 0.00 35.03 30.41 3h6m n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6m n GLY 29 N -1.15 0.48 3.23 0.72 0.00 -1.26 -5.02 105.19 102.18 3h6m n GLY 29 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3h6m n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h6m s GLN 30 N -0.26 1.64 0.16 1.61 -1.52 -0.29 -5.08 119.66 115.93 3h6m s GLN 30 Ca 0.00 -0.77 -0.30 0.00 -1.95 0.00 0.00 55.36 52.34 3h6m s GLN 30 Cb 0.00 -1.61 -0.08 0.00 -0.22 0.00 0.00 33.01 31.10 3h6m s GLN 30 CO 0.00 0.44 1.25 -1.25 -0.25 0.00 0.00 175.29 175.48 3h6m s PRO 31 N -0.58 4.44 0.02 2.91 0.04 -1.26 -0.90 135.00 139.66 3h6m s PRO 31 Ca 0.08 1.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 3h6m s PRO 31 Cb -0.08 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.22 3h6m s PRO 31 CO -0.00 -0.20 0.20 0.00 0.04 0.00 0.00 177.00 177.04 3h6m s MET 32 N 0.15 0.64 -0.10 4.56 0.23 0.39 -4.95 119.30 120.22 3h6m s MET 32 Ca 0.56 -0.49 -0.22 0.00 -1.03 0.00 0.00 55.69 54.52 3h6m s MET 32 Cb -0.34 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.20 3h6m s MET 32 CO 0.35 -0.18 0.63 0.99 -2.03 0.00 0.00 175.02 174.78 3h6m s THR 33 N -2.04 5.08 -0.13 3.16 2.01 -1.26 -1.19 115.64 121.28 3h6m s THR 33 Ca -0.09 1.27 -0.06 0.00 0.31 0.00 0.00 61.69 63.12 3h6m s THR 33 Cb -0.03 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3h6m s THR 33 CO -0.01 0.25 0.09 -0.36 -0.69 0.00 0.00 174.62 173.91 3h6m s PHE 34 N 0.90 3.42 -0.15 4.92 0.40 0.83 -1.04 117.98 127.26 3h6m s PHE 34 Ca 0.33 0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 57.00 3h6m s PHE 34 Cb -0.17 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 3h6m s PHE 34 CO 0.15 0.56 -0.07 0.50 0.70 0.00 0.00 175.22 177.05 3h6m s ARG 35 N -0.69 3.54 0.15 0.44 6.06 0.15 -1.90 118.95 126.70 3h6m s ARG 35 Ca 0.12 -0.59 -0.31 0.00 -2.50 0.00 0.00 55.73 52.46 3h6m s ARG 35 Cb -0.12 -2.81 -0.08 0.00 0.06 0.00 0.00 34.95 31.99 3h6m s ARG 35 CO 0.03 0.20 1.39 -0.51 -2.50 0.00 0.00 175.30 173.90 3h6m s LEU 36 N 0.44 4.38 0.48 -0.88 1.43 -0.32 -2.86 118.68 121.35 3h6m s LEU 36 Ca -0.06 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.20 3h6m s LEU 36 Cb -0.15 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.41 3h6m s LEU 36 CO 0.04 -0.64 1.29 -0.76 0.23 0.00 0.00 176.35 176.51 3h6m s LEU 37 N 0.67 4.01 -0.19 1.79 1.43 -0.40 -3.91 118.68 122.08 3h6m s LEU 37 Ca 0.63 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 56.34 3h6m s LEU 37 Cb -0.38 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.70 3h6m s LEU 37 CO 0.33 -1.16 0.00 0.18 0.23 0.00 0.00 176.35 175.93 3h6m n LEU 38 N -0.51 0.41 -4.15 1.79 4.77 -1.26 -4.93 117.00 113.12 3h6m n LEU 38 Ca 0.07 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 3h6m n LEU 38 Cb 0.45 -1.78 -0.10 0.00 -2.33 0.00 0.00 43.42 39.67 3h6m n LEU 38 CO 0.52 -0.63 -0.38 0.68 -1.33 0.00 0.00 177.39 176.25 3h6m s VAL 39 N -1.53 0.58 -0.12 4.08 -7.23 -1.22 -1.36 120.40 113.60 3h6m s VAL 39 Ca 0.00 -1.89 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 3h6m s VAL 39 Cb 0.00 -1.62 0.05 0.00 0.56 0.00 0.00 36.38 35.37 3h6m s VAL 39 CO 0.00 -0.89 0.07 -0.62 -0.31 0.00 0.00 175.10 173.35 3h6m s ASP 40 N -2.98 1.90 0.29 4.85 2.15 0.40 -4.70 116.67 118.57 3h6m s ASP 40 Ca 0.10 -0.35 -0.07 0.00 0.43 0.00 0.00 52.55 52.67 3h6m s ASP 40 Cb 0.05 -0.22 -0.06 0.00 -0.30 0.00 0.00 42.92 42.39 3h6m s ASP 40 CO -0.06 -0.31 0.58 0.42 -0.17 0.00 0.00 175.17 175.63 3h6m s THR 41 N 2.14 4.97 0.57 1.71 -4.23 -1.26 -1.55 115.64 117.98 3h6m s THR 41 Ca 0.03 0.23 -0.21 0.00 -1.18 0.00 0.00 61.69 60.56 3h6m s THR 41 Cb -0.14 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 3h6m s THR 41 CO -0.07 -0.28 1.33 -2.84 -0.54 0.00 0.00 174.62 172.22 3h6m s PRO 42 N -3.40 3.04 0.81 3.99 0.02 -1.26 -4.92 135.00 133.28 3h6m s PRO 42 Ca 0.46 2.17 -0.12 0.00 0.02 0.00 0.00 61.00 63.52 3h6m s PRO 42 Cb -0.11 -2.16 0.09 0.00 0.02 0.00 0.00 34.50 32.33 3h6m s PRO 42 CO 0.28 -1.25 1.15 -1.21 -0.33 0.00 0.00 177.00 175.64 3h6m s GLU 43 N -3.01 1.74 0.42 5.54 0.41 -1.26 -4.47 118.70 118.07 3h6m s GLU 43 Ca 0.74 1.50 0.10 0.00 -0.41 0.00 0.00 54.97 56.90 3h6m s GLU 43 Cb -0.39 -1.81 0.93 0.00 -1.78 0.00 0.00 34.13 31.08 3h6m s GLU 43 CO 0.45 -2.09 2.03 0.35 -0.49 0.00 0.00 175.26 175.51 3h6m h PHE 50 N -1.14 0.48 0.00 1.61 3.57 -1.94 -0.46 116.94 119.06 3h6m h PHE 50 Ca -0.45 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 3h6m h PHE 50 Cb 1.26 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3h6m h PHE 50 CO 0.52 0.28 0.00 0.27 -2.23 0.00 0.00 178.31 177.14 3h6m n ASN 51 N -4.48 0.00 -4.86 0.41 6.94 -1.26 -3.78 115.26 108.23 3h6m n ASN 51 Ca 0.06 0.13 -0.21 0.00 -0.02 0.00 0.00 54.58 54.54 3h6m n ASN 51 Cb 0.18 -0.35 -0.03 0.00 -2.36 0.00 0.00 39.78 37.22 3h6m n ASN 51 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3h6m s GLU 52 N -2.70 2.60 0.22 -3.83 2.02 -0.18 -5.02 118.70 111.82 3h6m s GLU 52 Ca 0.17 -1.44 -0.32 0.00 0.02 0.00 0.00 54.97 53.41 3h6m s GLU 52 Cb 0.14 -2.41 -0.12 0.00 0.10 0.00 0.00 34.13 31.84 3h6m s GLU 52 CO 0.34 -0.06 1.65 1.17 0.02 0.00 0.00 175.26 178.38 3h6m n LYS 53 N -1.45 2.61 -0.56 1.61 4.81 -1.26 -1.20 118.16 122.71 3h6m n LYS 53 Ca 0.01 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 3h6m n LYS 53 Cb 0.61 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.91 3h6m n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3h6m n TYR 54 N 3.29 0.00 0.05 5.64 4.01 -1.26 -4.78 117.16 124.11 3h6m n TYR 54 Ca 0.14 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.77 3h6m n TYR 54 Cb 0.34 -0.56 -0.04 0.00 -0.31 0.00 0.00 39.34 38.77 3h6m n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3h6m h GLY 55 N 0.00 -0.28 1.69 2.72 0.00 -1.24 0.15 103.07 106.10 3h6m h GLY 55 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 3h6m h GLY 55 CO 0.00 -0.19 0.01 -2.55 0.00 0.00 0.00 176.54 173.81 3h6m h PRO 56 N -0.33 0.39 -0.11 4.80 0.11 -1.76 -0.44 132.00 134.67 3h6m h PRO 56 Ca 0.07 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 3h6m h PRO 56 Cb 0.42 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.48 3h6m h PRO 56 CO -0.22 0.42 -0.85 0.93 -0.21 0.00 0.00 178.00 178.07 3h6m h GLU 57 N 0.39 0.75 -0.25 1.05 3.07 -1.89 -0.81 114.58 116.88 3h6m h GLU 57 Ca 0.09 -0.66 -0.01 0.00 -0.50 0.00 0.00 59.36 58.28 3h6m h GLU 57 Cb 0.25 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3h6m h GLU 57 CO 0.01 1.26 0.13 0.00 -1.40 0.00 0.00 179.01 179.00 3h6m h ALA 58 N 0.54 0.33 -0.68 3.43 0.00 -0.32 -0.77 119.26 121.78 3h6m h ALA 58 Ca -0.07 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.80 3h6m h ALA 58 Cb 1.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 3h6m h ALA 58 CO 0.17 -0.12 0.40 0.77 0.00 0.00 0.00 179.25 180.47 3h6m h SER 59 N 0.28 0.61 -0.44 0.00 0.02 -1.02 -1.84 113.55 111.17 3h6m h SER 59 Ca 0.09 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 3h6m h SER 59 Cb 0.10 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3h6m h SER 59 CO -0.01 0.40 0.02 0.00 -1.14 0.00 0.00 176.83 176.10 3h6m h ALA 60 N 1.34 1.08 0.14 3.77 0.00 -0.91 -0.76 119.26 123.92 3h6m h ALA 60 Ca 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h6m h ALA 60 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h6m h ALA 60 CO -0.16 0.58 -0.07 0.35 0.00 0.00 0.00 179.25 179.95 3h6m h PHE 61 N 0.78 -0.17 -0.72 0.00 3.04 -0.75 -0.67 116.94 118.45 3h6m h PHE 61 Ca 0.15 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 3h6m h PHE 61 Cb 0.44 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 3h6m h PHE 61 CO 0.02 0.04 0.31 1.15 -2.02 0.00 0.00 178.31 177.81 3h6m h THR 62 N -0.37 1.24 -0.20 4.41 2.02 -1.25 -2.09 112.91 116.68 3h6m h THR 62 Ca -0.02 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3h6m h THR 62 Cb 0.29 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3h6m h THR 62 CO 0.03 0.30 0.08 0.50 0.37 0.00 0.00 175.52 176.80 3h6m h LYS 63 N 1.02 0.17 -0.62 6.66 3.64 -1.03 -0.90 116.57 125.51 3h6m h LYS 63 Ca 0.24 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3h6m h LYS 63 Cb 0.18 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 3h6m h LYS 63 CO -0.02 0.11 0.39 -0.22 -2.27 0.00 0.00 179.45 177.44 3h6m h LYS 64 N 0.18 0.75 -0.63 1.90 3.64 -1.03 0.19 116.57 121.56 3h6m h LYS 64 Ca 0.08 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3h6m h LYS 64 Cb 0.04 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3h6m h LYS 64 CO -0.08 0.49 0.35 1.98 -2.27 0.00 0.00 179.45 179.93 3h6m h MET 65 N 0.77 0.88 0.07 1.90 4.05 -0.97 -1.20 114.93 120.43 3h6m h MET 65 Ca 0.25 -0.10 -0.28 0.00 -0.28 0.00 0.00 59.70 59.29 3h6m h MET 65 Cb -0.00 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 3h6m h MET 65 CO -0.09 0.66 -1.42 -0.39 0.23 0.00 0.00 176.91 175.90 3h6m h VAL 66 N 0.86 1.25 -0.00 -5.77 -1.51 -0.89 -3.07 116.25 107.12 3h6m h VAL 66 Ca 0.22 -2.94 -0.14 0.00 -1.23 0.00 0.00 66.70 62.61 3h6m h VAL 66 Cb 0.03 2.74 -0.02 0.00 -2.13 0.00 0.00 31.29 31.91 3h6m h VAL 66 CO -0.04 0.81 -0.68 -0.33 -1.23 0.00 0.00 177.57 176.10 3h6m h GLU 67 N 0.04 0.01 0.00 5.19 5.08 -0.50 -3.10 114.58 121.31 3h6m h GLU 67 Ca -0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3h6m h GLU 67 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 3h6m h GLU 67 CO 0.14 0.69 -0.25 0.09 -1.00 0.00 0.00 179.01 178.68 3h6m n ASN 68 N -3.73 0.65 -4.74 1.42 4.13 -0.47 -4.91 115.26 107.61 3h6m n ASN 68 Ca -0.01 0.35 -0.41 0.00 1.68 0.00 0.00 54.58 56.19 3h6m n ASN 68 Cb 0.67 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 38.52 3h6m n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h6m s ALA 69 N -3.10 3.48 0.25 5.41 0.00 -1.16 -4.92 121.76 121.72 3h6m s ALA 69 Ca 0.10 1.04 0.09 0.00 0.00 0.00 0.00 51.96 53.19 3h6m s ALA 69 Cb 0.14 -3.45 0.26 0.00 0.00 0.00 0.00 23.12 20.07 3h6m s ALA 69 CO 0.64 -0.46 1.56 0.87 0.00 0.00 0.00 175.76 178.37 3h6m h LYS 70 N 5.13 0.03 -3.21 0.00 1.79 -1.90 -3.44 116.57 114.97 3h6m h LYS 70 Ca -0.45 -0.03 -0.37 0.00 -2.18 0.00 0.00 60.65 57.62 3h6m h LYS 70 Cb 1.21 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 31.48 3h6m h LYS 70 CO 0.75 0.69 -0.72 0.21 -1.08 0.00 0.00 179.45 179.30 3h6m s LYS 71 N -3.50 -0.03 -0.12 3.15 2.20 -1.26 -5.02 119.74 115.16 3h6m s LYS 71 Ca -0.01 0.32 -0.06 0.00 -0.36 0.00 0.00 55.97 55.86 3h6m s LYS 71 Cb 0.12 -0.73 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 3h6m s LYS 71 CO 0.78 -0.40 0.10 0.42 -0.36 0.00 0.00 175.35 175.89 3h6m s ILE 72 N 2.19 5.16 0.05 5.43 -1.09 -1.26 -0.56 121.20 131.11 3h6m s ILE 72 Ca 0.04 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.57 3h6m s ILE 72 Cb -0.13 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 3h6m s ILE 72 CO -0.05 0.60 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.55 3h6m s GLU 73 N -0.84 0.62 0.06 2.79 2.02 -0.47 -2.50 118.70 120.39 3h6m s GLU 73 Ca 0.13 -0.80 0.08 0.00 0.02 0.00 0.00 54.97 54.40 3h6m s GLU 73 Cb -0.12 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.62 3h6m s GLU 73 CO 0.03 0.09 -0.19 0.14 0.02 0.00 0.00 175.26 175.36 3h6m s VAL 74 N -1.30 2.76 -0.16 2.63 -7.23 0.27 -0.64 120.40 116.73 3h6m s VAL 74 Ca -0.07 -1.29 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 3h6m s VAL 74 Cb -0.10 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.70 3h6m s VAL 74 CO 0.01 0.27 0.00 -0.70 -0.31 0.00 0.00 175.10 174.37 3h6m s GLU 75 N -1.63 0.87 0.54 4.82 2.12 0.07 -0.49 118.70 124.99 3h6m s GLU 75 Ca 0.15 -0.34 -0.09 0.00 0.36 0.00 0.00 54.97 55.05 3h6m s GLU 75 Cb -0.10 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.40 3h6m s GLU 75 CO 0.06 -0.51 0.90 -0.06 -0.54 0.00 0.00 175.26 175.11 3h6m s PHE 76 N 1.81 3.58 0.00 5.30 0.08 -1.26 -0.87 117.98 126.62 3h6m s PHE 76 Ca 0.01 1.06 0.00 0.00 0.12 0.00 0.00 56.93 58.12 3h6m s PHE 76 Cb -0.16 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 3h6m s PHE 76 CO -0.07 -0.44 0.00 -3.47 -0.10 0.00 0.00 175.22 171.14 3h6m n ASP 77 N -2.36 0.00 0.14 1.36 -0.08 -1.26 -4.57 116.55 109.79 3h6m n ASP 77 Ca 0.03 -0.68 0.13 0.00 -1.51 0.00 0.00 54.79 52.76 3h6m n ASP 77 Cb 0.54 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.32 3h6m n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3h6m h LYS 78 N 0.00 0.00 0.00 -0.67 1.79 -1.95 -3.47 116.57 112.28 3h6m h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3h6m h LYS 78 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3h6m h LYS 78 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 3h6m n GLY 79 N 1.24 2.12 3.61 3.86 0.00 -0.71 -4.98 105.19 110.33 3h6m n GLY 79 Ca 0.05 -1.81 -0.49 0.00 0.00 0.00 0.00 46.02 43.77 3h6m n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3h6m n GLN 80 N 0.00 1.46 -0.00 1.61 7.27 -1.26 -4.91 117.38 121.55 3h6m n GLN 80 Ca 0.00 0.52 0.08 0.00 0.07 0.00 0.00 57.00 57.67 3h6m n GLN 80 Cb 0.00 -2.16 -0.10 0.00 2.41 0.00 0.00 30.24 30.38 3h6m n GLN 80 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3h6m n ARG 81 N 2.51 1.30 -4.53 3.69 1.74 -1.26 -4.77 116.66 115.33 3h6m n ARG 81 Ca 0.17 -0.05 -0.21 0.00 -0.77 0.00 0.00 57.85 56.99 3h6m n ARG 81 Cb 0.24 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 3h6m n ARG 81 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3h6m s THR 82 N -2.72 0.97 0.41 0.55 2.01 -1.26 -0.72 115.64 114.88 3h6m s THR 82 Ca 0.02 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 3h6m s THR 82 Cb 0.12 -0.83 0.08 0.00 0.01 0.00 0.00 72.50 71.88 3h6m s THR 82 CO 0.68 0.28 0.57 -0.90 -0.69 0.00 0.00 174.62 174.56 3h6m n ASP 83 N 3.01 0.61 0.03 3.53 5.68 0.54 -4.91 116.55 125.04 3h6m n ASP 83 Ca -0.16 -1.55 0.06 0.00 -0.50 0.00 0.00 54.79 52.64 3h6m n ASP 83 Cb 0.55 -0.38 0.27 0.00 -1.14 0.00 0.00 41.12 40.41 3h6m n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3h6m n LYS 84 N -2.08 0.03 -0.14 0.11 2.85 -1.26 -1.46 118.16 116.21 3h6m n LYS 84 Ca 0.09 0.37 0.12 0.00 -1.05 0.00 0.00 58.31 57.83 3h6m n LYS 84 Cb 0.32 -1.58 0.21 0.00 -0.65 0.00 0.00 35.03 33.32 3h6m n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3h6m n TYR 85 N -1.65 0.38 -1.03 5.58 4.01 -1.26 -4.95 117.16 118.24 3h6m n TYR 85 Ca 0.02 -0.19 -0.01 0.00 -0.16 0.00 0.00 57.90 57.56 3h6m n TYR 85 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3h6m n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h6m n GLY 86 N 1.46 0.44 3.75 2.72 0.00 -0.54 -5.04 105.19 107.98 3h6m n GLY 86 Ca 0.18 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3h6m n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h6m s ARG 87 N -0.89 4.81 0.47 1.61 0.52 -1.26 -4.75 118.95 119.46 3h6m s ARG 87 Ca 0.00 1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 56.41 3h6m s ARG 87 Cb 0.00 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.12 3h6m s ARG 87 CO 0.00 0.52 1.24 0.20 0.02 0.00 0.00 175.30 177.28 3h6m s GLY 88 N -1.13 2.84 -0.21 -3.53 0.00 -0.21 -0.34 107.32 104.74 3h6m s GLY 88 Ca 0.40 1.10 -0.00 0.00 0.00 0.00 0.00 44.72 46.23 3h6m s GLY 88 CO 0.31 1.60 -0.14 1.08 0.00 0.00 0.00 173.10 175.95 3h6m s LEU 89 N -3.03 2.56 0.24 0.66 1.43 0.10 0.30 118.68 120.95 3h6m s LEU 89 Ca 0.64 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 3h6m s LEU 89 Cb -0.34 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3h6m s LEU 89 CO 0.41 -0.04 0.58 0.00 0.23 0.00 0.00 176.35 177.53 3h6m s ALA 90 N 1.31 -0.85 -0.09 4.21 0.00 -1.13 -4.57 121.76 120.64 3h6m s ALA 90 Ca 0.03 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 3h6m s ALA 90 Cb -0.14 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 3h6m s ALA 90 CO -0.09 -0.90 0.43 0.71 0.00 0.00 0.00 175.76 175.90 3h6m s TYR 91 N -3.93 3.57 -0.14 0.00 2.02 -0.05 -1.27 117.35 117.55 3h6m s TYR 91 Ca 0.14 0.87 -0.02 0.00 -0.37 0.00 0.00 57.07 57.69 3h6m s TYR 91 Cb -0.03 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.07 3h6m s TYR 91 CO 0.04 0.32 -0.08 0.42 -1.57 0.00 0.00 175.55 174.68 3h6m s ILE 92 N 0.10 3.51 -0.06 2.71 -1.09 -1.26 -0.75 121.20 124.35 3h6m s ILE 92 Ca 0.24 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 3h6m s ILE 92 Cb -0.15 -2.50 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 3h6m s ILE 92 CO 0.10 0.52 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.88 3h6m s TYR 93 N 0.25 2.72 -0.27 3.97 1.51 0.19 -0.32 117.35 125.41 3h6m s TYR 93 Ca -0.06 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3h6m s TYR 93 Cb -0.15 -1.66 0.05 0.00 -0.11 0.00 0.00 41.96 40.10 3h6m s TYR 93 CO 0.04 0.13 -0.08 0.00 -1.11 0.00 0.00 175.55 174.53 3h6m s ALA 94 N -0.58 2.63 -1.38 3.71 0.00 0.22 -1.37 121.76 124.99 3h6m s ALA 94 Ca 0.08 -1.73 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 3h6m s ALA 94 Cb -0.11 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.35 3h6m s ALA 94 CO 0.01 -1.17 0.60 -0.25 0.00 0.00 0.00 175.76 174.95 3h6m n ASP 95 N 4.50 -1.12 0.00 0.00 8.00 0.27 -1.50 116.55 126.69 3h6m n ASP 95 Ca -0.14 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3h6m n ASP 95 Cb 0.43 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 3h6m n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h6m n GLY 96 N -1.75 2.58 3.77 0.44 0.00 -1.26 -5.01 105.19 103.95 3h6m n GLY 96 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3h6m n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h6m s LYS 97 N -0.00 4.08 -0.12 1.61 1.02 -0.56 -5.02 119.74 120.74 3h6m s LYS 97 Ca 0.00 0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.79 3h6m s LYS 97 Cb 0.00 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 3h6m s LYS 97 CO 0.00 0.40 1.03 1.41 -0.92 0.00 0.00 175.35 177.27 3h6m s MET 98 N -0.01 4.39 0.17 1.68 -2.45 -1.26 -0.61 119.30 121.20 3h6m s MET 98 Ca 0.17 1.41 -0.13 0.00 -1.25 0.00 0.00 55.69 55.89 3h6m s MET 98 Cb -0.13 -3.56 0.07 0.00 1.25 0.00 0.00 34.83 32.45 3h6m s MET 98 CO 0.05 -0.38 1.78 0.28 1.05 0.00 0.00 175.02 177.80 3h6m h VAL 99 N 5.15 1.19 -0.39 10.11 2.07 -1.04 -1.23 116.25 132.11 3h6m h VAL 99 Ca -0.29 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 66.79 3h6m h VAL 99 Cb 1.13 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3h6m h VAL 99 CO 0.88 0.20 0.19 0.78 0.02 0.00 0.00 177.57 179.63 3h6m h ASN 100 N 0.76 0.26 -0.60 0.57 -0.26 -1.91 -0.61 115.58 113.78 3h6m h ASN 100 Ca 0.20 0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.88 3h6m h ASN 100 Cb 0.05 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.26 3h6m h ASN 100 CO -0.03 0.19 0.06 -0.08 -1.06 0.00 0.00 177.43 176.51 3h6m h GLU 101 N 0.38 1.02 -0.64 0.81 4.81 -1.89 -2.71 114.58 116.37 3h6m h GLU 101 Ca 0.17 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3h6m h GLU 101 Cb 0.09 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3h6m h GLU 101 CO -0.13 0.98 0.34 0.00 -0.73 0.00 0.00 179.01 179.47 3h6m h ALA 102 N 1.01 0.81 -0.57 2.92 0.00 -0.66 0.25 119.26 123.02 3h6m h ALA 102 Ca 0.18 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3h6m h ALA 102 Cb 0.48 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3h6m h ALA 102 CO 0.02 0.34 0.28 -0.07 0.00 0.00 0.00 179.25 179.83 3h6m h LEU 103 N 0.87 0.39 -0.62 0.00 3.38 -1.11 -1.19 115.31 117.04 3h6m h LEU 103 Ca 0.22 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 3h6m h LEU 103 Cb 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3h6m h LEU 103 CO -0.03 0.26 -0.01 -0.33 0.09 0.00 0.00 178.44 178.41 3h6m h GLU 104 N 0.54 1.07 0.00 1.13 4.39 -1.03 -1.63 114.58 119.05 3h6m h GLU 104 Ca 0.26 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 3h6m h GLU 104 Cb 0.19 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3h6m h GLU 104 CO -0.19 1.05 -0.42 -0.09 -1.16 0.00 0.00 179.01 178.20 3h6m h ARG 105 N 0.98 0.00 -0.18 2.33 9.65 -0.54 -2.00 114.38 124.62 3h6m h ARG 105 Ca 0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3h6m h ARG 105 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 3h6m h ARG 105 CO 0.03 0.42 0.00 1.04 2.80 0.00 0.00 179.97 184.27 3h6m n GLN 106 N -3.77 1.67 -1.98 0.20 1.13 -0.49 -4.23 117.38 109.91 3h6m n GLN 106 Ca -0.01 -1.02 -0.11 0.00 -1.94 0.00 0.00 57.00 53.92 3h6m n GLN 106 Cb 0.49 -1.36 -0.02 0.00 0.11 0.00 0.00 30.24 29.46 3h6m n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h6m n GLY 107 N 1.08 0.25 0.29 1.08 0.00 -0.75 -4.47 105.19 102.68 3h6m n GLY 107 Ca 0.15 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.76 3h6m n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h6m n LEU 108 N -1.49 1.51 -4.02 0.99 4.77 -0.65 -1.28 117.00 116.84 3h6m n LEU 108 Ca -0.13 -0.93 -0.09 0.00 -0.03 0.00 0.00 56.01 54.83 3h6m n LEU 108 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 3h6m n LEU 108 CO 0.16 0.30 -0.21 0.00 -1.33 0.00 0.00 177.39 176.31 3h6m s ALA 109 N -0.83 0.33 -0.01 -1.18 0.00 -1.21 -4.35 121.76 114.51 3h6m s ALA 109 Ca 0.09 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3h6m s ALA 109 Cb 0.07 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 3h6m s ALA 109 CO 0.13 -0.50 -0.11 0.15 0.00 0.00 0.00 175.76 175.44 3h6m s LYS 110 N -3.95 2.47 0.26 0.00 1.02 -0.60 -4.64 119.74 114.30 3h6m s LYS 110 Ca 0.13 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 3h6m s LYS 110 Cb 0.06 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.86 3h6m s LYS 110 CO -0.05 0.60 1.34 0.08 -0.92 0.00 0.00 175.35 176.40 3h6m s VAL 111 N -0.89 2.88 0.01 3.17 1.01 -1.26 -0.46 120.40 124.87 3h6m s VAL 111 Ca 0.14 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 3h6m s VAL 111 Cb -0.11 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.87 3h6m s VAL 111 CO 0.04 0.15 1.00 0.00 0.00 0.00 0.00 175.10 176.30 3h6m s ALA 112 N -0.41 -1.86 -1.23 5.51 0.00 -0.47 -4.87 121.76 118.43 3h6m s ALA 112 Ca 0.54 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 3h6m s ALA 112 Cb -0.39 0.39 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3h6m s ALA 112 CO 0.45 -0.81 0.84 0.66 0.00 0.00 0.00 175.76 176.89 3h6m n TYR 113 N -0.31 -2.07 -3.16 0.00 4.01 -1.26 -3.39 117.16 110.98 3h6m n TYR 113 Ca -0.07 0.86 -0.45 0.00 -0.16 0.00 0.00 57.90 58.08 3h6m n TYR 113 Cb 0.61 -4.56 -0.04 0.00 -0.31 0.00 0.00 39.34 35.04 3h6m n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3h6m s VAL 114 N -3.52 4.99 -0.10 -0.72 1.01 -1.26 -4.41 120.40 116.39 3h6m s VAL 114 Ca 0.08 -1.37 -0.08 0.00 0.00 0.00 0.00 61.98 60.60 3h6m s VAL 114 Cb -0.02 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 3h6m s VAL 114 CO 0.78 -1.12 0.19 -0.31 0.00 0.00 0.00 175.10 174.64 3h6m s TYR 115 N 2.12 3.62 0.30 5.22 2.02 -1.26 -5.05 117.35 124.32 3h6m s TYR 115 Ca 0.13 0.61 -0.29 0.00 -0.37 0.00 0.00 57.07 57.15 3h6m s TYR 115 Cb -0.21 -2.00 -0.13 0.00 -0.40 0.00 0.00 41.96 39.22 3h6m s TYR 115 CO 0.02 0.72 1.33 1.17 -1.57 0.00 0.00 175.55 177.22 3h6m n LYS 116 N 1.98 2.08 -0.62 -0.62 4.81 -1.26 -1.78 118.16 122.75 3h6m n LYS 116 Ca -0.19 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3h6m n LYS 116 Cb 0.54 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.25 3h6m n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h6m n GLY 117 N 1.36 1.48 2.50 3.14 0.00 -1.26 -4.82 105.19 107.58 3h6m n GLY 117 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3h6m n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h6m n ASN 118 N 0.00 3.39 -1.20 1.61 3.02 -0.73 -1.74 115.26 119.61 3h6m n ASN 118 Ca 0.00 -3.22 0.05 0.00 -0.03 0.00 0.00 54.58 51.38 3h6m n ASN 118 Cb 0.00 -0.46 0.08 0.00 -0.61 0.00 0.00 39.78 38.79 3h6m n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3h6m n ASN 119 N -0.41 1.22 -0.26 6.41 6.94 -1.25 -4.59 115.26 123.33 3h6m n ASN 119 Ca 0.27 -2.61 0.06 0.00 -0.02 0.00 0.00 54.58 52.28 3h6m n ASN 119 Cb 0.78 -0.37 0.20 0.00 -2.36 0.00 0.00 39.78 38.02 3h6m n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3h6m h THR 120 N 5.08 0.63 -0.49 5.53 2.02 -1.93 -2.19 112.91 121.55 3h6m h THR 120 Ca -0.15 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3h6m h THR 120 Cb 1.61 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 3h6m h THR 120 CO 0.07 0.08 0.00 1.41 0.37 0.00 0.00 175.52 177.45 3h6m n HIS 121 N -5.01 1.57 -0.03 3.16 8.25 -1.26 -4.56 115.22 117.34 3h6m n HIS 121 Ca 0.15 -0.56 -0.09 0.00 -0.26 0.00 0.00 57.72 56.97 3h6m n HIS 121 Cb 0.45 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 3h6m n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3h6m h GLU 122 N 3.29 -0.08 -0.41 -0.41 4.81 -1.77 -1.08 114.58 118.93 3h6m h GLU 122 Ca 0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3h6m h GLU 122 Cb 1.58 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.94 3h6m h GLU 122 CO 0.35 -0.05 0.18 1.96 -0.73 0.00 0.00 179.01 180.72 3h6m h GLN 123 N -0.08 0.36 -0.46 1.92 4.20 -1.83 0.04 115.11 119.27 3h6m h GLN 123 Ca 0.10 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.84 3h6m h GLN 123 Cb 0.23 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3h6m h GLN 123 CO -0.23 0.24 0.18 1.25 -0.67 0.00 0.00 178.83 179.60 3h6m h LEU 124 N 0.37 0.22 -0.45 1.46 5.85 -1.82 -0.62 115.31 120.33 3h6m h LEU 124 Ca 0.18 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.78 3h6m h LEU 124 Cb 0.12 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3h6m h LEU 124 CO -0.15 0.16 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.54 3h6m h LEU 125 N 0.37 0.80 -1.35 2.25 3.38 -0.80 -2.42 115.31 117.54 3h6m h LEU 125 Ca 0.21 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3h6m h LEU 125 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3h6m h LEU 125 CO -0.19 1.16 -0.14 0.03 0.09 0.00 0.00 178.44 179.38 3h6m h ARG 126 N 0.57 0.25 -0.42 1.13 3.08 -0.78 -0.82 114.38 117.40 3h6m h ARG 126 Ca 0.02 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3h6m h ARG 126 Cb 1.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3h6m h ARG 126 CO 0.10 0.40 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.12 3h6m h LYS 127 N 0.24 0.79 -0.50 0.04 1.63 -0.87 0.50 116.57 118.40 3h6m h LYS 127 Ca 0.05 -0.29 -0.04 0.00 -0.85 0.00 0.00 60.65 59.52 3h6m h LYS 127 Cb 0.41 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 3h6m h LYS 127 CO 0.02 0.90 0.14 0.00 -3.45 0.00 0.00 179.45 177.06 3h6m h ALA 128 N 0.87 0.65 -0.99 5.00 0.00 -1.10 -1.90 119.26 121.79 3h6m h ALA 128 Ca 0.11 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3h6m h ALA 128 Cb 0.59 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3h6m h ALA 128 CO 0.04 0.33 0.65 1.49 0.00 0.00 0.00 179.25 181.75 3h6m h GLU 129 N 0.68 1.24 -0.61 0.00 4.81 -0.88 -0.80 114.58 119.02 3h6m h GLU 129 Ca 0.16 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3h6m h GLU 129 Cb 0.30 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3h6m h GLU 129 CO -0.00 0.82 0.34 0.00 -0.73 0.00 0.00 179.01 179.44 3h6m h ALA 130 N 1.39 0.78 -0.26 2.92 0.00 -0.49 0.85 119.26 124.45 3h6m h ALA 130 Ca 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3h6m h ALA 130 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3h6m h ALA 130 CO -0.11 0.29 0.13 1.96 0.00 0.00 0.00 179.25 181.52 3h6m h GLN 131 N 0.82 0.37 -0.93 0.00 4.20 -1.04 0.56 115.11 119.09 3h6m h GLN 131 Ca 0.21 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.88 3h6m h GLN 131 Cb 0.04 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 3h6m h GLN 131 CO -0.04 0.35 0.62 0.00 -0.67 0.00 0.00 178.83 179.10 3h6m h ALA 132 N 1.00 1.34 -0.37 3.87 0.00 -0.51 -1.63 119.26 122.95 3h6m h ALA 132 Ca 0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3h6m h ALA 132 Cb 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3h6m h ALA 132 CO -0.01 0.62 -0.18 -0.22 0.00 0.00 0.00 179.25 179.46 3h6m h LYS 133 N 1.26 0.78 -1.00 0.00 3.64 -0.48 -1.16 116.57 119.61 3h6m h LYS 133 Ca 0.34 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3h6m h LYS 133 Cb -0.14 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.59 3h6m h LYS 133 CO -0.07 0.96 0.65 0.87 -2.27 0.00 0.00 179.45 179.59 3h6m h LYS 134 N 0.57 1.20 0.00 1.90 1.57 -0.62 0.09 116.57 121.28 3h6m h LYS 134 Ca 0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3h6m h LYS 134 Cb 0.72 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3h6m h LYS 134 CO 0.05 0.79 0.00 0.39 -0.57 0.00 0.00 179.45 180.12 3h6m n GLU 135 N -4.46 0.73 -3.88 3.15 1.02 -0.64 -4.94 120.64 111.62 3h6m n GLU 135 Ca 0.14 0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 3h6m n GLU 135 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3h6m n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h6m n LYS 136 N -1.08 -4.21 -3.36 3.49 4.76 0.02 -4.94 118.16 112.83 3h6m n LYS 136 Ca 0.19 0.51 -0.38 0.00 -2.87 0.00 0.00 58.31 55.75 3h6m n LYS 136 Cb 0.13 -4.96 -0.06 0.00 -1.84 0.00 0.00 35.03 28.30 3h6m n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3h6m s LEU 137 N -6.94 4.36 0.00 -0.35 1.43 -0.51 -3.47 118.68 113.20 3h6m s LEU 137 Ca 0.17 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 3h6m s LEU 137 Cb -0.09 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.44 3h6m s LEU 137 CO 0.86 0.12 0.00 0.59 0.23 0.00 0.00 176.35 178.14 3h6m n ASN 138 N 2.98 0.00 -0.01 2.29 5.03 -1.26 -1.14 115.26 123.14 3h6m n ASN 138 Ca -0.09 0.00 0.17 0.00 0.87 0.00 0.00 54.58 55.53 3h6m n ASN 138 Cb 0.52 0.00 0.63 0.00 -1.02 0.00 0.00 39.78 39.90 3h6m n ASN 138 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 3h6m h ILE 139 N 0.00 0.79 -0.32 2.41 2.04 -1.49 -0.36 117.51 120.59 3h6m h ILE 139 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3h6m h ILE 139 Cb 0.00 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3h6m h ILE 139 CO 0.00 0.02 0.00 0.79 0.00 0.00 0.00 178.15 178.96 3h6m n TRP 140 N -4.42 0.42 1.64 1.37 7.02 -0.29 -5.14 117.44 118.03 3h6m n TRP 140 Ca 0.09 -0.21 0.15 0.00 -1.02 0.00 0.00 57.50 56.51 3h6m n TRP 140 Cb 0.51 0.00 0.64 0.00 -2.42 0.00 0.00 31.31 30.04 3h6m n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54