#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h47 s ASP 4 N -1.43 -0.30 -0.20 0.00 3.68 -1.26 -4.46 116.67 112.69 2h47 s ASP 4 Ca 0.29 0.51 -0.09 0.00 2.13 0.00 0.00 52.55 55.39 2h47 s ASP 4 Cb 0.02 0.49 0.08 0.00 -1.45 0.00 0.00 42.92 42.05 2h47 s ASP 4 CO -0.14 -0.16 0.47 -0.69 0.13 0.00 0.00 175.17 174.78 2h47 s VAL 5 N -0.25 -0.29 -0.42 1.11 1.01 -1.17 -5.03 120.40 115.36 2h47 s VAL 5 Ca 0.03 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 2h47 s VAL 5 Cb -0.04 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.73 2h47 s VAL 5 CO -0.07 0.04 0.25 -0.44 0.00 0.00 0.00 175.10 174.88 2h47 s SER 6 N 1.93 5.53 -0.12 3.32 0.01 -1.26 -1.23 113.70 121.88 2h47 s SER 6 Ca -0.07 -1.67 -0.07 0.00 1.31 0.00 0.00 55.95 55.44 2h47 s SER 6 Cb -0.09 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2h47 s SER 6 CO -0.14 -0.55 0.15 -0.51 0.41 0.00 0.00 173.24 172.60 2h47 s ILE 7 N 1.35 5.48 0.33 1.44 2.07 -0.52 -4.98 121.20 126.36 2h47 s ILE 7 Ca 0.04 0.24 0.09 0.00 -1.41 0.00 0.00 60.65 59.61 2h47 s ILE 7 Cb -0.23 -3.42 -0.04 0.00 0.13 0.00 0.00 42.46 38.89 2h47 s ILE 7 CO 0.00 0.61 0.10 -1.61 -1.91 0.00 0.00 174.94 172.13 2h47 s GLU 8 N -0.99 2.32 -0.17 3.50 2.02 -1.26 -0.76 118.70 123.36 2h47 s GLU 8 Ca 0.15 -1.55 -0.11 0.00 0.02 0.00 0.00 54.97 53.48 2h47 s GLU 8 Cb -0.12 -2.14 0.05 0.00 0.10 0.00 0.00 34.13 32.02 2h47 s GLU 8 CO 0.04 0.16 0.41 0.20 0.02 0.00 0.00 175.26 176.09 2h47 s GLY 9 N -3.80 -0.32 0.55 -1.39 0.00 0.11 -3.05 107.32 99.42 2h47 s GLY 9 Ca 0.36 1.42 0.04 0.00 0.00 0.00 0.00 44.72 46.54 2h47 s GLY 9 CO 0.22 1.48 0.30 0.54 0.00 0.00 0.00 173.10 175.63 2h47 s ASN 10 N 1.04 4.49 0.00 1.64 2.20 -1.23 0.22 114.94 123.30 2h47 s ASN 10 Ca -0.07 -1.39 0.14 0.00 -0.94 0.00 0.00 52.86 50.60 2h47 s ASN 10 Cb -0.07 0.54 0.85 0.00 -2.00 0.00 0.00 41.25 40.57 2h47 s ASN 10 CO -0.09 -1.08 1.30 0.47 -2.94 0.00 0.00 177.10 174.76 2h47 n ASP 11 N -1.66 0.00 -1.67 3.54 8.00 -1.26 -2.87 116.55 120.63 2h47 n ASP 11 Ca -0.07 -0.78 0.09 0.00 0.71 0.00 0.00 54.79 54.74 2h47 n ASP 11 Cb 0.65 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 42.12 2h47 n ASP 11 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2h47 n SER 12 N -0.86 4.98 -3.66 -2.24 7.64 -1.26 -4.97 113.62 113.24 2h47 n SER 12 Ca 0.11 -2.55 -0.26 0.00 1.01 0.00 0.00 58.87 57.18 2h47 n SER 12 Cb 0.05 -0.61 0.04 0.00 -1.01 0.00 0.00 64.21 62.68 2h47 n SER 12 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2h47 n MET 13 N 1.03 -2.60 -3.95 1.43 1.56 -1.14 -5.01 117.12 108.45 2h47 n MET 13 Ca 0.26 0.55 -0.10 0.00 -0.27 0.00 0.00 57.70 58.15 2h47 n MET 13 Cb 0.96 -4.69 -0.11 0.00 2.15 0.00 0.00 33.22 31.53 2h47 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2h47 s GLN 14 N -5.83 0.33 -0.08 2.12 -0.21 -1.26 -4.53 119.66 110.20 2h47 s GLN 14 Ca 0.29 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.16 2h47 s GLN 14 Cb -0.09 0.13 -0.02 0.00 1.00 0.00 0.00 33.01 34.02 2h47 s GLN 14 CO 0.83 -0.06 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.78 2h47 s PHE 15 N -1.35 2.83 -0.98 0.91 2.99 -1.26 -3.50 117.98 117.62 2h47 s PHE 15 Ca -0.15 -0.22 0.23 0.00 0.00 0.00 0.00 56.93 56.80 2h47 s PHE 15 Cb -0.09 -1.73 0.99 0.00 0.00 0.00 0.00 43.02 42.19 2h47 s PHE 15 CO -0.00 0.13 1.74 0.27 -0.00 0.00 0.00 175.22 177.36 2h47 n ASN 16 N 2.66 0.03 -4.58 1.36 2.04 -1.17 -4.71 115.26 110.89 2h47 n ASN 16 Ca -0.18 0.50 -0.30 0.00 -0.44 0.00 0.00 54.58 54.17 2h47 n ASN 16 Cb 0.53 -0.51 -0.10 0.00 -2.53 0.00 0.00 39.78 37.16 2h47 n ASN 16 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 2h47 s THR 17 N -3.01 3.41 -0.30 5.53 2.01 -1.26 -5.01 115.64 117.02 2h47 s THR 17 Ca 0.11 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 60.96 2h47 s THR 17 Cb 0.15 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 70.10 2h47 s THR 17 CO 0.43 0.16 0.48 1.17 -0.69 0.00 0.00 174.62 176.17 2h47 n LYS 18 N 0.85 0.98 -3.65 4.92 4.81 -1.26 -4.85 118.16 119.97 2h47 n LYS 18 Ca -0.14 -0.51 -0.01 0.00 -0.87 0.00 0.00 58.31 56.78 2h47 n LYS 18 Cb 0.52 -0.95 -0.06 0.00 0.02 0.00 0.00 35.03 34.56 2h47 n LYS 18 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2h47 s SER 19 N -0.47 -0.18 0.08 3.14 1.04 -1.26 -2.35 113.70 113.70 2h47 s SER 19 Ca 0.03 0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.82 2h47 s SER 19 Cb 0.02 0.81 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 2h47 s SER 19 CO 0.05 -0.05 -0.09 -0.63 0.98 0.00 0.00 173.24 173.50 2h47 s ILE 20 N 0.77 3.42 -0.10 -1.02 1.01 0.16 -4.91 121.20 120.53 2h47 s ILE 20 Ca -0.03 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.51 2h47 s ILE 20 Cb -0.03 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2h47 s ILE 20 CO -0.12 0.19 -0.21 -0.69 0.00 0.00 0.00 174.94 174.11 2h47 s VAL 21 N -1.15 1.84 -0.34 2.92 1.01 -1.26 -0.12 120.40 123.30 2h47 s VAL 21 Ca 0.20 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 2h47 s VAL 21 Cb -0.11 -1.61 0.03 0.00 0.00 0.00 0.00 36.38 34.68 2h47 s VAL 21 CO 0.12 0.51 0.14 0.68 0.00 0.00 0.00 175.10 176.55 2h47 s VAL 22 N 0.53 4.16 0.40 2.92 -7.23 0.76 -4.95 120.40 116.98 2h47 s VAL 22 Ca -0.15 -0.93 -0.24 0.00 -1.81 0.00 0.00 61.98 58.85 2h47 s VAL 22 Cb -0.17 -3.30 -0.12 0.00 0.56 0.00 0.00 36.38 33.35 2h47 s VAL 22 CO 0.05 -0.15 0.83 0.47 -0.31 0.00 0.00 175.10 175.99 2h47 n ASP 23 N 4.90 0.41 0.23 4.85 10.43 -1.26 -3.08 116.55 133.03 2h47 n ASP 23 Ca -0.13 1.01 0.15 0.00 2.57 0.00 0.00 54.79 58.40 2h47 n ASP 23 Cb 0.46 -1.24 0.56 0.00 1.84 0.00 0.00 41.12 42.74 2h47 n ASP 23 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2h47 h LYS 24 N 1.30 0.00 -0.78 -1.24 6.56 -1.97 -3.18 116.57 117.27 2h47 h LYS 24 Ca -0.42 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.15 2h47 h LYS 24 Cb 1.36 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.01 2h47 h LYS 24 CO 0.55 0.00 0.03 0.25 -2.06 0.00 0.00 179.45 178.23 2h47 n THR 25 N -2.83 1.69 -3.49 -0.16 -2.24 -1.26 -4.86 114.28 101.12 2h47 n THR 25 Ca 0.02 -0.85 -0.37 0.00 -2.27 0.00 0.00 64.05 60.57 2h47 n THR 25 Cb 0.32 -0.40 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 2h47 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h47 h LYS 27 N 7.22 0.61 -4.67 0.00 1.79 -1.93 -3.41 116.57 116.18 2h47 h LYS 27 Ca -0.38 -0.57 -0.29 0.00 -2.18 0.00 0.00 60.65 57.23 2h47 h LYS 27 Cb 1.16 0.14 -0.21 0.00 -1.58 0.00 0.00 32.23 31.75 2h47 h LYS 27 CO 0.71 1.19 -0.74 -1.83 -1.08 0.00 0.00 179.45 177.70 2h47 s GLU 28 N -3.49 0.58 -0.04 3.15 -1.05 -1.26 -1.87 118.70 114.71 2h47 s GLU 28 Ca -0.12 -0.80 0.05 0.00 -0.15 0.00 0.00 54.97 53.95 2h47 s GLU 28 Cb 0.06 -0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.38 2h47 s GLU 28 CO 0.87 0.07 -0.20 0.12 0.95 0.00 0.00 175.26 177.07 2h47 s PHE 29 N -1.44 1.92 -0.09 4.83 5.99 0.10 -4.84 117.98 124.46 2h47 s PHE 29 Ca -0.08 -0.54 0.01 0.00 0.00 0.00 0.00 56.93 56.32 2h47 s PHE 29 Cb -0.09 -1.28 -0.02 0.00 0.00 0.00 0.00 43.02 41.62 2h47 s PHE 29 CO 0.00 -0.17 -0.11 0.99 -0.00 0.00 0.00 175.22 175.94 2h47 s THR 30 N -0.07 3.27 -0.22 0.12 2.01 -1.26 -2.27 115.64 117.23 2h47 s THR 30 Ca -0.03 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.37 2h47 s THR 30 Cb -0.12 -2.34 0.05 0.00 0.01 0.00 0.00 72.50 70.10 2h47 s THR 30 CO 0.02 0.56 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.91 2h47 s ILE 31 N -0.27 1.68 -0.21 1.82 2.07 -0.26 -3.02 121.20 123.01 2h47 s ILE 31 Ca 0.02 -1.15 -0.09 0.00 -1.41 0.00 0.00 60.65 58.02 2h47 s ILE 31 Cb -0.13 -1.81 -0.05 0.00 0.13 0.00 0.00 42.46 40.60 2h47 s ILE 31 CO 0.03 0.07 0.12 0.20 -1.91 0.00 0.00 174.94 173.45 2h47 s ASN 32 N 1.36 5.96 -0.12 4.50 0.01 -0.37 -2.56 114.94 123.72 2h47 s ASN 32 Ca -0.04 0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.19 2h47 s ASN 32 Cb -0.17 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 2h47 s ASN 32 CO -0.07 0.12 0.03 -0.22 -1.51 0.00 0.00 177.10 175.45 2h47 s LEU 33 N 0.70 3.72 -0.12 0.60 2.96 -0.15 -1.44 118.68 124.95 2h47 s LEU 33 Ca 0.06 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 2h47 s LEU 33 Cb -0.13 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.68 2h47 s LEU 33 CO 0.01 0.31 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.59 2h47 s LYS 34 N -0.45 3.06 -0.51 1.98 1.02 0.06 -2.39 119.74 122.51 2h47 s LYS 34 Ca 0.09 -0.86 -0.13 0.00 0.02 0.00 0.00 55.97 55.09 2h47 s LYS 34 Cb -0.12 -2.37 0.12 0.00 -0.52 0.00 0.00 37.83 34.95 2h47 s LYS 34 CO 0.02 0.11 0.43 -1.58 -0.92 0.00 0.00 175.35 173.41 2h47 s HIS 35 N 0.52 3.32 0.22 3.18 5.65 -0.73 0.06 115.29 127.51 2h47 s HIS 35 Ca -0.14 -1.52 0.20 0.00 0.25 0.00 0.00 55.06 53.85 2h47 s HIS 35 Cb -0.17 -3.66 0.81 0.00 -1.18 0.00 0.00 32.58 28.38 2h47 s HIS 35 CO 0.05 -1.00 1.80 1.79 -0.65 0.00 0.00 174.74 176.72 2h47 h THR 36 N 5.99 0.84 -1.61 0.89 1.35 -0.55 -1.59 112.91 118.24 2h47 h THR 36 Ca -0.26 -1.33 -0.14 0.00 -0.55 0.00 0.00 66.41 64.13 2h47 h THR 36 Cb 1.09 1.81 0.08 0.00 -1.73 0.00 0.00 68.15 69.41 2h47 h THR 36 CO 0.96 0.32 -0.07 0.61 -0.25 0.00 0.00 175.52 177.09 2h47 n GLY 37 N 0.04 -2.28 0.00 5.82 0.00 -1.21 -4.66 105.19 102.89 2h47 n GLY 37 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2h47 n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h47 n LYS 38 N -1.85 -0.12 -3.13 1.61 4.81 -1.26 -3.31 118.16 114.91 2h47 n LYS 38 Ca 0.05 -0.46 -0.39 0.00 -0.87 0.00 0.00 58.31 56.64 2h47 n LYS 38 Cb 0.23 -0.80 -0.06 0.00 0.02 0.00 0.00 35.03 34.43 2h47 n LYS 38 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2h47 s LEU 39 N -0.12 4.54 0.91 3.14 1.43 -1.26 -4.74 118.68 122.58 2h47 s LEU 39 Ca 0.00 1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 54.42 2h47 s LEU 39 Cb 0.00 -3.08 0.14 0.00 0.03 0.00 0.00 46.19 43.28 2h47 s LEU 39 CO 0.00 0.22 1.13 -2.16 0.23 0.00 0.00 176.35 175.77 2h47 s PRO 40 N -0.99 1.05 0.49 1.29 0.04 -1.26 0.90 135.00 136.52 2h47 s PRO 40 Ca 0.33 1.43 0.29 0.00 0.04 0.00 0.00 61.00 63.08 2h47 s PRO 40 Cb -0.21 -1.74 1.08 0.00 0.04 0.00 0.00 34.50 33.67 2h47 s PRO 40 CO 0.22 -2.57 1.88 1.57 0.04 0.00 0.00 177.00 178.14 2h47 h LYS 41 N -1.82 0.00 -0.05 4.56 2.10 -1.87 -2.31 116.57 117.17 2h47 h LYS 41 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2h47 h LYS 41 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2h47 h LYS 41 CO 0.44 0.10 0.00 0.00 -2.00 0.00 0.00 179.45 177.98 2h47 n ALA 42 N -2.15 2.57 0.00 0.07 0.00 -1.26 -2.72 120.51 117.03 2h47 n ALA 42 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2h47 n ALA 42 Cb 0.38 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2h47 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h47 n ALA 43 N -0.43 2.35 -2.96 0.00 0.00 -1.17 -4.95 120.51 113.35 2h47 n ALA 43 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.44 2h47 n ALA 43 Cb 0.14 0.30 0.03 0.00 0.00 0.00 0.00 19.45 19.91 2h47 n ALA 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2h47 n MET 44 N -2.34 1.00 -2.90 0.00 0.00 -0.88 -5.07 117.12 106.93 2h47 n MET 44 Ca 0.00 -2.67 -0.22 0.00 -0.00 0.00 0.00 57.70 54.81 2h47 n MET 44 Cb 0.30 -1.36 0.02 0.00 0.00 0.00 0.00 33.22 32.17 2h47 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2h47 s GLY 45 N -1.87 1.67 0.16 -5.12 0.00 -1.10 -4.71 107.32 96.35 2h47 s GLY 45 Ca 0.31 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.85 2h47 s GLY 45 CO -0.06 -1.00 -0.03 0.30 0.00 0.00 0.00 173.10 172.30 2h47 s HIS 46 N -2.59 1.20 0.25 1.90 3.76 -0.44 -4.88 115.29 114.50 2h47 s HIS 46 Ca 0.51 -0.93 -0.19 0.00 -0.15 0.00 0.00 55.06 54.30 2h47 s HIS 46 Cb -0.10 -0.67 0.02 0.00 1.11 0.00 0.00 32.58 32.94 2h47 s HIS 46 CO 0.37 -0.11 0.63 0.54 -0.85 0.00 0.00 174.74 175.32 2h47 s ASN 47 N -3.16 -0.25 -0.11 1.40 2.20 -1.26 -0.27 114.94 113.48 2h47 s ASN 47 Ca 0.20 -0.60 0.02 0.00 -0.94 0.00 0.00 52.86 51.54 2h47 s ASN 47 Cb 0.05 0.67 0.01 0.00 -2.00 0.00 0.00 41.25 39.98 2h47 s ASN 47 CO 0.02 -1.23 -0.16 -0.69 -2.94 0.00 0.00 177.10 172.10 2h47 s VAL 48 N -3.92 1.59 -0.10 3.54 1.01 -1.26 -4.13 120.40 117.13 2h47 s VAL 48 Ca 0.12 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2h47 s VAL 48 Cb -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.91 2h47 s VAL 48 CO 0.04 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 2h47 s VAL 49 N 0.96 1.84 -0.14 2.92 1.01 -0.13 -1.26 120.40 125.61 2h47 s VAL 49 Ca -0.07 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 2h47 s VAL 49 Cb -0.15 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2h47 s VAL 49 CO -0.02 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 174.95 2h47 s VAL 50 N 0.59 4.66 -0.04 2.92 1.01 -0.46 -1.51 120.40 127.57 2h47 s VAL 50 Ca -0.14 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2h47 s VAL 50 Cb -0.17 -3.04 0.10 0.00 0.00 0.00 0.00 36.38 33.27 2h47 s VAL 50 CO 0.04 0.53 0.86 -0.55 0.00 0.00 0.00 175.10 175.99 2h47 s SER 51 N -0.23 -0.43 0.41 3.32 0.15 -0.62 -1.74 113.70 114.56 2h47 s SER 51 Ca 0.07 0.20 -0.24 0.00 0.70 0.00 0.00 55.95 56.68 2h47 s SER 51 Cb -0.12 0.40 -0.11 0.00 -1.71 0.00 0.00 66.02 64.48 2h47 s SER 51 CO 0.02 -0.58 0.91 0.29 1.20 0.00 0.00 173.24 175.08 2h47 n LYS 52 N 0.16 1.17 -0.25 5.44 5.02 -1.26 -1.04 118.16 127.40 2h47 n LYS 52 Ca -0.11 0.42 -0.04 0.00 -2.02 0.00 0.00 58.31 56.55 2h47 n LYS 52 Cb 0.60 -1.90 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 2h47 n LYS 52 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2h47 h LYS 53 N 1.42 -0.12 0.00 1.97 3.64 -1.55 0.25 116.57 122.18 2h47 h LYS 53 Ca -0.43 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2h47 h LYS 53 Cb 1.35 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2h47 h LYS 53 CO 0.56 -0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 176.53 2h47 n SER 54 N -5.44 0.00 -0.10 4.20 3.41 -1.26 -2.79 113.62 111.64 2h47 n SER 54 Ca 0.06 -1.57 0.08 0.00 -0.26 0.00 0.00 58.87 57.18 2h47 n SER 54 Cb 0.37 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 2h47 n SER 54 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2h47 n ASP 55 N -0.65 1.02 0.10 4.04 8.00 0.06 -4.68 116.55 124.44 2h47 n ASP 55 Ca 0.07 -1.01 -0.07 0.00 0.71 0.00 0.00 54.79 54.49 2h47 n ASP 55 Cb 0.03 0.87 -0.04 0.00 -0.02 0.00 0.00 41.12 41.96 2h47 n ASP 55 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2h47 h GLU 56 N 0.49 -0.35 -0.74 -1.24 4.81 -1.41 0.12 114.58 116.26 2h47 h GLU 56 Ca 0.00 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 2h47 h GLU 56 Cb 0.44 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 29.76 2h47 h GLU 56 CO 0.00 -0.24 -0.24 1.03 -0.73 0.00 0.00 179.01 178.83 2h47 h SER 57 N -0.37 -0.87 -0.44 1.04 0.87 -1.83 0.14 113.55 112.08 2h47 h SER 57 Ca -0.02 0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2h47 h SER 57 Cb 0.32 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2h47 h SER 57 CO -0.03 -0.27 0.20 0.00 -0.53 0.00 0.00 176.83 176.20 2h47 h ALA 58 N 1.55 0.57 -0.47 6.23 0.00 -1.81 -2.57 119.26 122.76 2h47 h ALA 58 Ca 0.33 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2h47 h ALA 58 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2h47 h ALA 58 CO -0.78 0.14 0.07 0.28 0.00 0.00 0.00 179.25 178.97 2h47 h VAL 59 N 0.57 1.25 -0.44 0.00 2.07 0.46 -2.53 116.25 117.64 2h47 h VAL 59 Ca 0.15 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2h47 h VAL 59 Cb 0.14 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2h47 h VAL 59 CO -0.02 0.32 0.23 0.00 0.02 0.00 0.00 177.57 178.13 2h47 h ALA 60 N 0.96 1.58 -0.02 1.67 0.00 -0.71 -1.88 119.26 120.86 2h47 h ALA 60 Ca 0.14 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 2h47 h ALA 60 Cb 0.39 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.02 2h47 h ALA 60 CO 0.01 0.35 -0.78 1.15 0.00 0.00 0.00 179.25 179.98 2h47 h THR 61 N 0.61 1.35 -0.16 0.00 2.02 -1.30 -2.85 112.91 112.58 2h47 h THR 61 Ca 0.16 -2.12 -0.12 0.00 0.77 0.00 0.00 66.41 65.09 2h47 h THR 61 Cb 0.03 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2h47 h THR 61 CO -0.02 0.64 -0.43 0.44 0.37 0.00 0.00 175.52 176.51 2h47 h ASP 62 N 0.15 0.39 0.52 4.18 3.45 -1.35 -2.94 116.42 120.82 2h47 h ASP 62 Ca -0.09 -0.17 -0.12 0.00 0.43 0.00 0.00 57.03 57.08 2h47 h ASP 62 Cb 1.46 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.10 2h47 h ASP 62 CO 0.15 0.78 -0.54 1.23 -1.57 0.00 0.00 179.24 179.29 2h47 h GLY 63 N 1.18 0.03 1.69 2.75 0.00 -1.41 -2.70 103.07 104.62 2h47 h GLY 63 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2h47 h GLY 63 CO 0.07 0.03 0.11 1.98 0.00 0.00 0.00 176.54 178.74 2h47 h MET 64 N 0.02 0.40 0.00 4.80 1.85 -1.31 0.79 114.93 121.49 2h47 h MET 64 Ca -0.00 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 2h47 h MET 64 Cb 0.97 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.92 2h47 h MET 64 CO 0.07 0.35 -0.02 1.63 -0.40 0.00 0.00 176.91 178.54 2h47 n LYS 65 N -4.41 0.16 -0.04 0.39 5.02 -1.03 -3.59 118.16 114.66 2h47 n LYS 65 Ca 0.01 0.13 -0.16 0.00 -2.02 0.00 0.00 58.31 56.27 2h47 n LYS 65 Cb 0.14 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 2h47 n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h47 h ALA 66 N 2.71 0.26 0.00 7.82 0.00 -0.73 -3.50 119.26 125.82 2h47 h ALA 66 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2h47 h ALA 66 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2h47 h ALA 66 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2h47 n GLY 67 N 0.61 1.05 0.41 0.00 0.00 -1.14 -4.31 105.19 101.81 2h47 n GLY 67 Ca -0.07 -1.73 0.21 0.00 0.00 0.00 0.00 46.02 44.42 2h47 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2h47 h LEU 68 N 0.00 0.40 -1.63 0.99 5.85 -1.91 0.11 115.31 119.11 2h47 h LEU 68 Ca 0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 2h47 h LEU 68 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2h47 h LEU 68 CO 0.00 0.14 -0.19 0.78 -0.34 0.00 0.00 178.44 178.83 2h47 h ASN 69 N 0.39 0.00 -0.73 1.25 2.35 -2.01 0.03 115.58 116.87 2h47 h ASN 69 Ca 0.50 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 56.04 2h47 h ASN 69 Cb 1.29 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.53 2h47 h ASN 69 CO -0.20 0.19 0.26 0.59 -1.65 0.00 0.00 177.43 176.63 2h47 n ASN 70 N -4.25 4.80 -2.41 5.81 3.02 0.25 -4.90 115.26 117.58 2h47 n ASN 70 Ca -0.02 -3.24 -0.11 0.00 -0.03 0.00 0.00 54.58 51.18 2h47 n ASN 70 Cb 0.26 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 38.68 2h47 n ASN 70 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2h47 n ASP 71 N -0.18 -3.55 -3.74 6.41 8.00 -0.00 -1.67 116.55 121.81 2h47 n ASP 71 Ca 0.41 0.23 -0.28 0.00 0.71 0.00 0.00 54.79 55.86 2h47 n ASP 71 Cb 1.38 -3.05 0.04 0.00 -0.02 0.00 0.00 41.12 39.47 2h47 n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2h47 n TYR 72 N -3.24 -2.47 -4.06 1.24 4.01 -0.37 -4.62 117.16 107.66 2h47 n TYR 72 Ca -0.13 0.91 -0.15 0.00 -0.16 0.00 0.00 57.90 58.37 2h47 n TYR 72 Cb 0.59 -4.32 -0.14 0.00 -0.31 0.00 0.00 39.34 35.15 2h47 n TYR 72 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2h47 s VAL 73 N -3.28 0.27 0.35 -0.72 1.01 -0.67 -4.27 120.40 113.08 2h47 s VAL 73 Ca 0.61 -0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.18 2h47 s VAL 73 Cb -0.30 -0.25 -0.10 0.00 0.00 0.00 0.00 36.38 35.74 2h47 s VAL 73 CO 0.76 0.09 1.32 -0.75 0.00 0.00 0.00 175.10 176.51 2h47 s LYS 74 N 0.03 4.26 0.15 2.72 2.20 -1.26 -4.80 119.74 123.03 2h47 s LYS 74 Ca 0.00 2.23 -0.31 0.00 -0.36 0.00 0.00 55.97 57.52 2h47 s LYS 74 Cb -0.03 -3.00 -0.09 0.00 -1.51 0.00 0.00 37.83 33.20 2h47 s LYS 74 CO -0.00 -0.27 1.48 0.00 -0.36 0.00 0.00 175.35 176.19 2h47 s ALA 75 N -1.17 3.68 -1.71 3.13 0.00 -1.26 -2.62 121.76 121.82 2h47 s ALA 75 Ca 0.51 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.72 2h47 s ALA 75 Cb -0.40 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.14 2h47 s ALA 75 CO 0.53 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2h47 n GLY 76 N 3.54 0.14 3.66 0.00 0.00 -1.26 -4.92 105.19 106.34 2h47 n GLY 76 Ca 0.12 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2h47 n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2h47 s ASP 77 N -2.31 6.63 -0.00 1.61 -1.08 -1.08 -4.89 116.67 115.56 2h47 s ASP 77 Ca 0.00 2.19 0.08 0.00 -0.52 0.00 0.00 52.55 54.30 2h47 s ASP 77 Cb 0.00 -2.53 0.24 0.00 -1.46 0.00 0.00 42.92 39.16 2h47 s ASP 77 CO 0.00 -0.96 1.18 -0.62 0.52 0.00 0.00 175.17 175.29 2h47 n GLU 78 N 7.19 1.65 0.00 4.34 1.02 -1.26 -3.04 120.64 130.54 2h47 n GLU 78 Ca 0.17 -0.96 0.10 0.00 -0.02 0.00 0.00 57.16 56.46 2h47 n GLU 78 Cb 0.43 -1.23 -0.11 0.00 -0.02 0.00 0.00 31.44 30.51 2h47 n GLU 78 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2h47 n ARG 79 N 0.27 0.35 -3.33 3.49 1.74 -1.26 -4.88 116.66 113.03 2h47 n ARG 79 Ca 0.09 -0.08 -0.39 0.00 -0.77 0.00 0.00 57.85 56.70 2h47 n ARG 79 Cb 0.24 -1.46 -0.08 0.00 -1.02 0.00 0.00 32.46 30.14 2h47 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2h47 s VAL 80 N -2.88 5.15 -0.08 1.55 1.01 -1.17 -4.18 120.40 119.80 2h47 s VAL 80 Ca 0.08 0.75 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 2h47 s VAL 80 Cb 0.16 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 2h47 s VAL 80 CO 0.81 0.18 0.66 0.40 0.00 0.00 0.00 175.10 177.16 2h47 h ILE 81 N 5.21 0.85 -2.02 2.22 5.03 -1.66 -3.48 117.51 123.65 2h47 h ILE 81 Ca -0.33 -1.34 -0.06 0.00 -0.12 0.00 0.00 64.86 63.01 2h47 h ILE 81 Cb 1.16 1.51 -0.19 0.00 -3.03 0.00 0.00 36.82 36.26 2h47 h ILE 81 CO 0.70 0.25 0.19 0.00 -0.68 0.00 0.00 178.15 178.61 2h47 s ALA 82 N -3.16 -1.76 0.05 1.87 0.00 -1.25 -4.96 121.76 112.55 2h47 s ALA 82 Ca -0.11 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 2h47 s ALA 82 Cb -0.00 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2h47 s ALA 82 CO 0.42 -0.38 0.26 -3.38 0.00 0.00 0.00 175.76 172.68 2h47 s HIS 83 N -1.24 -0.02 0.38 0.00 -3.43 -1.26 -1.35 115.29 108.37 2h47 s HIS 83 Ca -0.11 -0.18 0.08 0.00 -0.80 0.00 0.00 55.06 54.04 2h47 s HIS 83 Cb -0.00 0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 31.18 2h47 s HIS 83 CO 0.10 -0.49 0.42 0.95 -2.00 0.00 0.00 174.74 173.71 2h47 s THR 84 N -2.77 3.21 -0.30 -5.38 -4.23 -0.38 -4.78 115.64 100.99 2h47 s THR 84 Ca -0.03 -1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 58.98 2h47 s THR 84 Cb -0.00 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.74 2h47 s THR 84 CO -0.05 -0.07 1.12 -0.44 -0.54 0.00 0.00 174.62 174.64 2h47 s SER 85 N -4.16 6.90 0.29 3.99 0.01 -1.26 -4.49 113.70 114.98 2h47 s SER 85 Ca 0.47 1.12 -0.27 0.00 1.31 0.00 0.00 55.95 58.59 2h47 s SER 85 Cb -0.07 -2.54 -0.14 0.00 0.21 0.00 0.00 66.02 63.48 2h47 s SER 85 CO 0.29 -0.90 0.80 0.52 0.41 0.00 0.00 173.24 174.36 2h47 n VAL 86 N 5.88 1.97 -3.72 3.43 0.31 -1.26 -4.82 118.33 120.12 2h47 n VAL 86 Ca 0.13 -0.50 -0.14 0.00 -0.01 0.00 0.00 64.34 63.82 2h47 n VAL 86 Cb 0.47 -0.66 -0.09 0.00 -0.91 0.00 0.00 33.84 32.65 2h47 n VAL 86 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2h47 s ILE 87 N -1.13 0.02 0.00 2.52 -4.36 0.62 -4.93 121.20 113.95 2h47 s ILE 87 Ca 0.61 -0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.86 2h47 s ILE 87 Cb -0.74 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 42.34 2h47 s ILE 87 CO 0.59 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 176.30 2h47 n GLY 88 N 2.21 0.73 3.69 6.27 0.00 -1.26 -1.32 105.19 115.50 2h47 n GLY 88 Ca -0.16 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2h47 n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h47 s GLY 89 N -0.72 1.46 0.00 -0.02 0.00 0.26 -2.67 107.32 105.63 2h47 s GLY 89 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.03 2h47 s GLY 89 CO 0.00 3.01 0.00 0.61 0.00 0.00 0.00 173.10 176.72 2h47 n GLY 90 N 4.10 0.72 3.74 0.20 0.00 -0.60 -4.82 105.19 108.53 2h47 n GLY 90 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 2h47 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h47 s GLU 91 N -0.56 2.50 0.06 1.61 2.02 -1.09 -4.96 118.70 118.28 2h47 s GLU 91 Ca 0.00 -1.38 -0.10 0.00 0.02 0.00 0.00 54.97 53.51 2h47 s GLU 91 Cb 0.00 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.95 2h47 s GLU 91 CO 0.00 0.25 0.22 0.95 0.02 0.00 0.00 175.26 176.70 2h47 s THR 92 N -2.32 0.11 0.29 3.63 -4.23 -1.26 -1.77 115.64 110.09 2h47 s THR 92 Ca 0.35 -0.94 -0.21 0.00 -1.18 0.00 0.00 61.69 59.71 2h47 s THR 92 Cb -0.05 -1.06 0.02 0.00 1.34 0.00 0.00 72.50 72.75 2h47 s THR 92 CO 0.23 -0.52 0.72 -0.62 -0.54 0.00 0.00 174.62 173.89 2h47 s ASP 93 N -2.35 -0.24 0.19 3.99 2.15 -1.00 -5.00 116.67 114.40 2h47 s ASP 93 Ca -0.02 -0.65 -0.00 0.00 0.43 0.00 0.00 52.55 52.31 2h47 s ASP 93 Cb 0.01 0.74 -0.04 0.00 -0.30 0.00 0.00 42.92 43.32 2h47 s ASP 93 CO -0.06 -1.37 0.08 -0.44 -0.17 0.00 0.00 175.17 173.20 2h47 s SER 94 N -2.93 0.57 -0.07 -0.34 0.01 -1.26 -0.97 113.70 108.71 2h47 s SER 94 Ca 0.11 -1.30 -0.12 0.00 1.31 0.00 0.00 55.95 55.95 2h47 s SER 94 Cb -0.06 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.47 2h47 s SER 94 CO 0.07 -0.74 0.29 0.54 0.41 0.00 0.00 173.24 173.81 2h47 s VAL 95 N -3.97 0.03 -0.31 3.43 0.11 -1.06 -4.65 120.40 113.98 2h47 s VAL 95 Ca 0.32 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2h47 s VAL 95 Cb 0.07 -0.50 0.11 0.00 -1.53 0.00 0.00 36.38 34.53 2h47 s VAL 95 CO 0.08 -0.14 0.16 -0.89 -3.33 0.00 0.00 175.10 170.98 2h47 s THR 96 N -0.56 0.00 0.35 5.04 2.01 -1.26 -1.10 115.64 120.12 2h47 s THR 96 Ca -0.07 -1.10 0.04 0.00 0.31 0.00 0.00 61.69 60.87 2h47 s THR 96 Cb -0.04 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2h47 s THR 96 CO 0.02 -0.82 0.51 0.72 -0.69 0.00 0.00 174.62 174.36 2h47 s PHE 97 N 1.73 3.28 -0.19 4.92 -0.71 -0.96 -4.84 117.98 121.21 2h47 s PHE 97 Ca 0.12 0.04 -0.20 0.00 -1.04 0.00 0.00 56.93 55.85 2h47 s PHE 97 Cb -0.19 -1.97 -0.03 0.00 -1.21 0.00 0.00 43.02 39.63 2h47 s PHE 97 CO -0.23 0.02 0.61 0.16 -1.34 0.00 0.00 175.22 174.44 2h47 s ASP 98 N -4.12 6.68 0.06 1.98 -4.77 -1.26 -0.72 116.67 114.52 2h47 s ASP 98 Ca 0.43 0.82 0.05 0.00 -3.30 0.00 0.00 52.55 50.55 2h47 s ASP 98 Cb -0.10 -2.34 0.27 0.00 -1.09 0.00 0.00 42.92 39.66 2h47 s ASP 98 CO 0.33 -0.24 1.17 0.52 0.70 0.00 0.00 175.17 177.65 2h47 n VAL 99 N 4.58 1.72 0.41 2.11 0.31 -0.78 -1.42 118.33 125.26 2h47 n VAL 99 Ca -0.02 0.50 0.09 0.00 -0.01 0.00 0.00 64.34 64.90 2h47 n VAL 99 Cb 0.50 -1.48 0.39 0.00 -0.91 0.00 0.00 33.84 32.34 2h47 n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2h47 n SER 100 N -1.63 0.32 0.17 4.52 3.41 -1.26 -2.17 113.62 116.98 2h47 n SER 100 Ca 0.00 0.58 0.03 0.00 -0.26 0.00 0.00 58.87 59.23 2h47 n SER 100 Cb 0.03 -0.65 0.30 0.00 -0.26 0.00 0.00 64.21 63.63 2h47 n SER 100 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2h47 h LYS 101 N 0.00 0.00 -6.32 4.33 3.64 -1.62 -3.43 116.57 113.16 2h47 h LYS 101 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2h47 h LYS 101 Cb 0.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2h47 h LYS 101 CO 0.00 0.45 0.53 -0.51 -2.27 0.00 0.00 179.45 177.65 2h47 s LEU 102 N -7.48 4.29 0.73 5.20 1.02 -0.92 -5.02 118.68 116.49 2h47 s LEU 102 Ca -0.01 1.64 -0.02 0.00 0.02 0.00 0.00 54.13 55.76 2h47 s LEU 102 Cb 0.12 -3.56 0.12 0.00 0.02 0.00 0.00 46.19 42.90 2h47 s LEU 102 CO 0.72 -0.41 1.00 -0.54 0.02 0.00 0.00 176.35 177.14 2h47 s LYS 103 N 1.69 1.68 -0.09 1.70 1.02 -1.26 -5.05 119.74 119.43 2h47 s LYS 103 Ca 0.51 -1.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 2h47 s LYS 103 Cb -0.21 -2.30 -0.06 0.00 -0.52 0.00 0.00 37.83 34.75 2h47 s LYS 103 CO 0.22 -1.46 1.79 -1.83 -0.92 0.00 0.00 175.35 173.15 2h47 s GLU 104 N -5.18 3.97 -1.42 1.68 -1.05 -1.26 -4.07 118.70 111.37 2h47 s GLU 104 Ca 0.66 2.16 -0.07 0.00 -0.15 0.00 0.00 54.97 57.58 2h47 s GLU 104 Cb -0.06 -4.09 0.04 0.00 -0.44 0.00 0.00 34.13 29.58 2h47 s GLU 104 CO 0.45 -1.11 0.54 0.41 0.95 0.00 0.00 175.26 176.49 2h47 n GLY 105 N 4.53 -0.51 2.90 -3.83 0.00 -1.26 -5.01 105.19 102.02 2h47 n GLY 105 Ca 0.20 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 2h47 n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2h47 s GLU 106 N -5.82 0.05 0.28 1.61 -1.05 -1.26 -5.15 118.70 107.36 2h47 s GLU 106 Ca 0.34 0.13 -0.17 0.00 -0.15 0.00 0.00 54.97 55.11 2h47 s GLU 106 Cb -0.16 -0.04 -0.09 0.00 -0.44 0.00 0.00 34.13 33.40 2h47 s GLU 106 CO 0.42 -0.05 0.74 0.34 0.95 0.00 0.00 175.26 177.65 2h47 s ASP 107 N 0.33 6.90 0.39 0.83 2.15 -1.26 -4.82 116.67 121.19 2h47 s ASP 107 Ca -0.02 1.36 0.08 0.00 0.43 0.00 0.00 52.55 54.39 2h47 s ASP 107 Cb -0.04 -2.40 -0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2h47 s ASP 107 CO -0.01 -0.11 0.13 -0.31 -0.17 0.00 0.00 175.17 174.69 2h47 s TYR 108 N -1.79 2.60 0.07 -5.34 2.02 -1.25 -1.50 117.35 112.15 2h47 s TYR 108 Ca 0.50 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.67 2h47 s TYR 108 Cb -0.13 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 2h47 s TYR 108 CO 0.19 0.29 -0.05 0.00 -1.57 0.00 0.00 175.55 174.41 2h47 s ALA 109 N -2.57 0.67 -0.06 3.71 0.00 -0.21 -2.87 121.76 120.44 2h47 s ALA 109 Ca 0.39 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2h47 s ALA 109 Cb 0.03 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.36 2h47 s ALA 109 CO 0.22 -0.27 -0.13 -0.59 0.00 0.00 0.00 175.76 174.98 2h47 s PHE 110 N -3.42 1.48 0.00 0.00 -0.71 -0.99 -1.59 117.98 112.74 2h47 s PHE 110 Ca 0.06 -0.51 -0.00 0.00 -1.04 0.00 0.00 56.93 55.44 2h47 s PHE 110 Cb 0.04 -1.06 0.00 0.00 -1.21 0.00 0.00 43.02 40.79 2h47 s PHE 110 CO -0.06 -0.24 0.00 1.97 -1.34 0.00 0.00 175.22 175.55 2h47 n PHE 111 N 3.63 -0.43 -4.03 3.49 -1.74 -0.57 -2.09 117.46 115.72 2h47 n PHE 111 Ca -0.21 -0.01 -0.31 0.00 -0.56 0.00 0.00 57.45 56.35 2h47 n PHE 111 Cb 0.52 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.37 2h47 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2h47 n SER 113 N 4.63 0.00 -4.65 0.00 3.41 -1.26 -2.63 113.62 113.11 2h47 n SER 113 Ca -0.16 -0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 57.14 2h47 n SER 113 Cb 0.46 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2h47 n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2h47 s PHE 114 N -2.00 1.46 -0.13 7.33 2.19 -1.26 -4.41 117.98 121.16 2h47 s PHE 114 Ca 0.28 -0.19 -0.07 0.00 0.33 0.00 0.00 56.93 57.28 2h47 s PHE 114 Cb 0.13 -4.13 -0.04 0.00 -1.31 0.00 0.00 43.02 37.67 2h47 s PHE 114 CO 0.21 -4.95 0.42 -2.30 1.83 0.00 0.00 175.22 170.43 2h47 n PRO 115 N 7.56 0.00 -1.00 10.12 -0.02 -1.26 -0.87 135.00 149.52 2h47 n PRO 115 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2h47 n PRO 115 Cb 0.42 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 2h47 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h47 n GLY 116 N 1.25 0.56 0.10 -1.23 0.00 -1.26 -4.93 105.19 99.67 2h47 n GLY 116 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 2h47 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2h47 n HIS 117 N -2.88 0.87 0.37 1.61 8.25 -0.05 -4.03 115.22 119.36 2h47 n HIS 117 Ca 0.00 0.27 0.08 0.00 -0.26 0.00 0.00 57.72 57.81 2h47 n HIS 117 Cb 0.00 -0.97 0.34 0.00 1.12 0.00 0.00 29.99 30.48 2h47 n HIS 117 CO 0.00 0.00 0.00 -2.67 0.64 0.00 0.00 176.34 174.31 2h47 n TRP 118 N -2.72 0.29 -0.23 4.41 4.27 -1.08 -0.85 117.44 121.52 2h47 n TRP 118 Ca -0.05 0.12 -0.01 0.00 -3.89 0.00 0.00 57.50 53.67 2h47 n TRP 118 Cb 0.68 -0.70 0.19 0.00 -1.36 0.00 0.00 31.31 30.12 2h47 n TRP 118 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 2h47 h SER 119 N 0.00 0.92 0.00 -0.67 4.64 -1.90 -3.37 113.55 113.16 2h47 h SER 119 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2h47 h SER 119 Cb 0.22 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2h47 h SER 119 CO 0.00 0.73 -0.86 -0.38 -0.87 0.00 0.00 176.83 175.45 2h47 n ILE 120 N -4.36 0.00 -2.34 0.95 5.41 -1.09 -4.86 119.36 113.07 2h47 n ILE 120 Ca 0.08 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.40 2h47 n ILE 120 Cb 0.09 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 2h47 n ILE 120 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2h47 n MET 121 N -1.91 3.11 -3.80 0.38 2.81 -0.03 -4.87 117.12 112.81 2h47 n MET 121 Ca 0.00 -3.10 -0.13 0.00 -1.81 0.00 0.00 57.70 52.67 2h47 n MET 121 Cb 0.43 -3.42 -0.09 0.00 -0.71 0.00 0.00 33.22 29.43 2h47 n MET 121 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2h47 s LYS 122 N 3.82 0.60 0.04 0.03 2.36 -1.26 -3.30 119.74 122.03 2h47 s LYS 122 Ca 0.52 -0.25 -0.02 0.00 -2.55 0.00 0.00 55.97 53.67 2h47 s LYS 122 Cb 0.07 0.26 0.01 0.00 -1.05 0.00 0.00 37.83 37.12 2h47 s LYS 122 CO 0.03 -0.16 0.10 0.41 1.55 0.00 0.00 175.35 177.28 2h47 n GLY 123 N 1.38 1.75 3.27 5.54 0.00 -0.89 -4.86 105.19 111.38 2h47 n GLY 123 Ca -0.22 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 2h47 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h47 s THR 124 N -2.82 2.18 -0.23 2.61 2.01 -0.99 -2.36 115.64 116.04 2h47 s THR 124 Ca 0.02 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 2h47 s THR 124 Cb -0.01 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 2h47 s THR 124 CO 0.01 0.57 0.02 -0.51 -0.69 0.00 0.00 174.62 174.02 2h47 s ILE 125 N -0.02 3.91 0.10 1.82 2.07 -1.14 0.38 121.20 128.32 2h47 s ILE 125 Ca -0.08 -0.31 0.07 0.00 -1.41 0.00 0.00 60.65 58.92 2h47 s ILE 125 Cb -0.15 -2.80 -0.03 0.00 0.13 0.00 0.00 42.46 39.60 2h47 s ILE 125 CO 0.05 0.38 -0.17 -1.83 -1.91 0.00 0.00 174.94 171.47 2h47 s GLU 126 N 1.47 0.99 -0.12 3.50 -1.05 0.83 -3.93 118.70 120.38 2h47 s GLU 126 Ca 0.05 -1.10 -0.19 0.00 -0.15 0.00 0.00 54.97 53.58 2h47 s GLU 126 Cb -0.15 -1.07 -0.04 0.00 -0.44 0.00 0.00 34.13 32.43 2h47 s GLU 126 CO 0.01 0.24 0.53 -1.17 0.95 0.00 0.00 175.26 175.81 2h47 s LEU 127 N -1.96 4.26 0.00 1.83 2.96 -1.26 -0.17 118.68 124.34 2h47 s LEU 127 Ca 0.04 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 2h47 s LEU 127 Cb -0.09 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.83 2h47 s LEU 127 CO 0.03 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.62 2h47 n GLY 128 N 3.34 0.05 0.00 7.98 0.00 -1.18 -4.96 105.19 110.44 2h47 n GLY 128 Ca -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2h47 n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06