#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tsa n GLU 2 N 0.00 0.00 -1.37 0.00 4.07 -1.26 -3.74 120.64 118.34 2tsa n GLU 2 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2tsa n GLU 2 Cb 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.48 2tsa n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2tsa s SER 4 N -2.89 -0.23 -0.06 0.00 1.04 -1.25 -2.64 113.70 107.68 2tsa s SER 4 Ca 0.37 -0.60 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 2tsa s SER 4 Cb 0.38 0.61 0.04 0.00 0.10 0.00 0.00 66.02 67.15 2tsa s SER 4 CO -0.09 -1.13 0.47 0.54 0.98 0.00 0.00 173.24 174.00 2tsa s VAL 5 N -3.91 0.03 -0.27 5.02 0.11 -0.48 -3.91 120.40 116.98 2tsa s VAL 5 Ca 0.12 -0.23 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2tsa s VAL 5 Cb -0.02 -0.75 0.06 0.00 -1.53 0.00 0.00 36.38 34.13 2tsa s VAL 5 CO 0.02 -0.13 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.78 2tsa s ASP 6 N -0.98 4.60 0.16 3.54 1.11 -1.26 0.32 116.67 124.16 2tsa s ASP 6 Ca -0.10 -1.34 0.10 0.00 0.18 0.00 0.00 52.55 51.39 2tsa s ASP 6 Cb -0.03 -1.61 -0.04 0.00 1.07 0.00 0.00 42.92 42.30 2tsa s ASP 6 CO 0.05 -0.21 -0.20 -0.51 1.18 0.00 0.00 175.17 175.48 2tsa s ILE 7 N 1.16 2.67 -0.03 0.77 2.07 0.15 -4.96 121.20 123.03 2tsa s ILE 7 Ca -0.07 -1.75 0.06 0.00 -1.41 0.00 0.00 60.65 57.47 2tsa s ILE 7 Cb -0.20 -2.26 -0.01 0.00 0.13 0.00 0.00 42.46 40.12 2tsa s ILE 7 CO -0.04 -0.02 -0.20 -1.10 -1.91 0.00 0.00 174.94 171.67 2tsa s GLN 8 N -2.45 1.80 -0.21 3.50 -0.21 -1.26 -1.49 119.66 119.34 2tsa s GLN 8 Ca 0.20 -0.73 -0.05 0.00 0.02 0.00 0.00 55.36 54.80 2tsa s GLN 8 Cb -0.09 -1.67 -0.02 0.00 1.00 0.00 0.00 33.01 32.23 2tsa s GLN 8 CO 0.10 0.40 -0.00 0.20 -2.12 0.00 0.00 175.29 173.87 2tsa s GLY 9 N -0.34 1.71 0.15 3.09 0.00 -0.74 -0.65 107.32 110.53 2tsa s GLY 9 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.76 2tsa s GLY 9 CO 0.00 0.28 0.20 1.16 0.00 0.00 0.00 173.10 174.75 2tsa n ASN 10 N 4.37 0.49 -0.23 1.64 0.23 -0.55 -3.62 115.26 117.60 2tsa n ASN 10 Ca -0.17 -1.36 0.01 0.00 -0.53 0.00 0.00 54.58 52.53 2tsa n ASN 10 Cb 0.52 -0.11 0.04 0.00 -2.08 0.00 0.00 39.78 38.14 2tsa n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2tsa n ASP 11 N -2.85 0.60 -0.49 0.53 8.00 -1.26 -3.07 116.55 118.00 2tsa n ASP 11 Ca 0.04 -2.02 0.05 0.00 0.71 0.00 0.00 54.79 53.57 2tsa n ASP 11 Cb 0.15 -0.13 0.13 0.00 -0.02 0.00 0.00 41.12 41.25 2tsa n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2tsa n GLN 12 N -0.21 2.80 -1.32 -1.24 3.00 -1.26 -4.96 117.38 114.19 2tsa n GLN 12 Ca 0.03 -2.10 -0.08 0.00 -0.01 0.00 0.00 57.00 54.84 2tsa n GLN 12 Cb 0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 30.24 29.00 2tsa n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2tsa n MET 13 N -0.04 -0.58 -4.21 -1.09 2.81 -1.17 -5.02 117.12 107.81 2tsa n MET 13 Ca 0.11 0.76 -0.30 0.00 -1.81 0.00 0.00 57.70 56.46 2tsa n MET 13 Cb 0.48 -4.62 -0.09 0.00 -0.71 0.00 0.00 33.22 28.28 2tsa n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2tsa s GLN 14 N -2.84 2.28 0.34 0.03 -0.21 -1.26 -3.29 119.66 114.71 2tsa s GLN 14 Ca 0.00 -0.95 -0.04 0.00 0.02 0.00 0.00 55.36 54.40 2tsa s GLN 14 Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 2tsa s GLN 14 CO 0.00 0.52 0.60 -0.06 -2.12 0.00 0.00 175.29 174.23 2tsa s PHE 15 N -1.23 3.50 -1.68 0.91 0.08 -1.26 -1.49 117.98 116.81 2tsa s PHE 15 Ca 0.22 0.60 0.31 0.00 0.12 0.00 0.00 56.93 58.18 2tsa s PHE 15 Cb -0.11 -2.08 1.67 0.00 -0.57 0.00 0.00 43.02 41.92 2tsa s PHE 15 CO 0.15 0.08 2.12 0.27 -0.10 0.00 0.00 175.22 177.73 2tsa n ASN 16 N -1.41 0.03 -4.03 1.36 6.94 0.18 -4.85 115.26 113.48 2tsa n ASN 16 Ca -0.02 -0.52 -0.09 0.00 -0.02 0.00 0.00 54.58 53.93 2tsa n ASN 16 Cb 0.55 -0.16 -0.08 0.00 -2.36 0.00 0.00 39.78 37.73 2tsa n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2tsa s THR 17 N -2.33 0.10 0.00 5.53 -1.32 -1.26 -5.01 115.64 111.35 2tsa s THR 17 Ca 0.37 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 2tsa s THR 17 Cb 0.21 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 2tsa s THR 17 CO 0.42 -0.44 0.48 0.59 -2.21 0.00 0.00 174.62 173.47 2tsa n ASN 18 N -0.14 0.84 -3.76 8.08 3.02 -1.26 -4.83 115.26 117.21 2tsa n ASN 18 Ca -0.08 -1.21 -0.13 0.00 -0.03 0.00 0.00 54.58 53.13 2tsa n ASN 18 Cb 0.63 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.70 2tsa n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2tsa s ALA 19 N -0.21 -0.81 -0.02 5.41 0.00 -1.26 -1.85 121.76 123.02 2tsa s ALA 19 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2tsa s ALA 19 Cb 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2tsa s ALA 19 CO 0.00 -0.20 0.01 0.42 0.00 0.00 0.00 175.76 175.99 2tsa s ILE 20 N -0.39 0.06 -0.21 0.00 1.01 -0.30 -4.96 121.20 116.40 2tsa s ILE 20 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 2tsa s ILE 20 Cb -0.03 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.30 2tsa s ILE 20 CO 0.02 0.08 -0.07 -0.89 0.00 0.00 0.00 174.94 174.08 2tsa s THR 21 N 0.64 3.17 -0.44 2.92 2.01 -1.26 0.30 115.64 122.98 2tsa s THR 21 Ca -0.06 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.25 2tsa s THR 21 Cb -0.08 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 70.06 2tsa s THR 21 CO -0.02 0.44 0.32 -0.69 -0.69 0.00 0.00 174.62 173.99 2tsa s VAL 22 N 1.42 4.90 0.04 3.82 1.01 0.14 -4.94 120.40 126.80 2tsa s VAL 22 Ca 0.05 -1.07 -0.33 0.00 0.00 0.00 0.00 61.98 60.63 2tsa s VAL 22 Cb -0.14 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 2tsa s VAL 22 CO -0.05 -0.48 1.76 -0.67 0.00 0.00 0.00 175.10 175.67 2tsa n ASP 23 N 5.10 3.43 0.20 3.32 -0.08 -1.26 -0.74 116.55 126.52 2tsa n ASP 23 Ca -0.12 1.01 0.12 0.00 -1.51 0.00 0.00 54.79 54.30 2tsa n ASP 23 Cb 0.44 -1.42 0.63 0.00 2.34 0.00 0.00 41.12 43.11 2tsa n ASP 23 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2tsa h LYS 24 N 7.92 0.00 -0.00 -0.67 2.10 -1.71 -2.25 116.57 121.96 2tsa h LYS 24 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2tsa h LYS 24 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2tsa h LYS 24 CO 0.93 0.00 -0.48 -1.13 -2.00 0.00 0.00 179.45 176.77 2tsa n SER 25 N -2.37 0.56 -4.76 7.07 3.41 -1.26 -4.86 113.62 111.40 2tsa n SER 25 Ca -0.02 -0.33 -0.38 0.00 -0.26 0.00 0.00 58.87 57.89 2tsa n SER 25 Cb 0.15 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 2tsa n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2tsa n LYS 27 N -0.53 0.68 -4.21 0.00 5.02 -1.26 -4.74 118.16 113.12 2tsa n LYS 27 Ca 0.07 -0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.18 2tsa n LYS 27 Cb 0.47 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.83 2tsa n LYS 27 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2tsa s GLN 28 N -2.76 0.93 -0.02 1.97 -1.52 -1.26 -2.65 119.66 114.35 2tsa s GLN 28 Ca -0.09 -1.24 0.02 0.00 -1.95 0.00 0.00 55.36 52.10 2tsa s GLN 28 Cb 0.08 -0.64 0.01 0.00 -0.22 0.00 0.00 33.01 32.24 2tsa s GLN 28 CO 0.85 0.10 -0.06 0.12 -0.25 0.00 0.00 175.29 176.05 2tsa s PHE 29 N -2.55 0.66 -0.13 0.91 5.36 0.79 -4.80 117.98 118.22 2tsa s PHE 29 Ca 0.09 -0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2tsa s PHE 29 Cb -0.02 -0.51 -0.01 0.00 -0.34 0.00 0.00 43.02 42.13 2tsa s PHE 29 CO 0.01 -0.09 -0.13 0.99 -1.46 0.00 0.00 175.22 174.54 2tsa s THR 30 N 0.34 3.04 -0.18 0.12 2.01 -1.08 0.04 115.64 119.94 2tsa s THR 30 Ca -0.04 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 2tsa s THR 30 Cb -0.08 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2tsa s THR 30 CO -0.00 0.52 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 2tsa s VAL 31 N 0.38 2.72 -0.28 3.82 1.01 0.85 -1.39 120.40 127.51 2tsa s VAL 31 Ca -0.10 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2tsa s VAL 31 Cb -0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2tsa s VAL 31 CO 0.05 0.50 0.15 0.20 0.00 0.00 0.00 175.10 176.00 2tsa s ASN 32 N 1.07 5.65 -0.17 3.32 0.01 0.15 -2.07 114.94 122.89 2tsa s ASN 32 Ca -0.00 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.90 2tsa s ASN 32 Cb -0.15 -2.03 -0.00 0.00 0.41 0.00 0.00 41.25 39.48 2tsa s ASN 32 CO -0.04 -0.10 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.11 2tsa s LEU 33 N 1.68 2.61 0.29 0.60 2.96 -0.62 0.35 118.68 126.54 2tsa s LEU 33 Ca 0.06 -0.44 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 2tsa s LEU 33 Cb -0.16 -1.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 2tsa s LEU 33 CO 0.08 0.06 -0.12 -0.94 -1.32 0.00 0.00 176.35 174.10 2tsa s SER 34 N 1.00 3.27 -0.45 3.68 1.04 -0.55 -1.74 113.70 119.94 2tsa s SER 34 Ca -0.01 -1.13 0.02 0.00 0.48 0.00 0.00 55.95 55.31 2tsa s SER 34 Cb -0.15 -0.26 0.14 0.00 0.10 0.00 0.00 66.02 65.85 2tsa s SER 34 CO -0.02 -0.17 0.26 -2.28 0.98 0.00 0.00 173.24 172.01 2tsa s HIS 35 N -2.74 2.04 0.04 5.02 2.46 -0.94 -1.80 115.29 119.36 2tsa s HIS 35 Ca 0.30 -2.48 -0.08 0.00 0.47 0.00 0.00 55.06 53.27 2tsa s HIS 35 Cb 0.00 -1.89 -0.02 0.00 -0.13 0.00 0.00 32.58 30.54 2tsa s HIS 35 CO 0.13 -0.77 1.13 -1.00 -2.47 0.00 0.00 174.74 171.77 2tsa h PRO 36 N 6.60 -0.06 0.00 2.88 0.13 -1.89 0.25 132.00 139.92 2tsa h PRO 36 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2tsa h PRO 36 Cb 0.92 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2tsa h PRO 36 CO 0.49 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 2tsa n GLY 37 N -1.08 -3.45 0.11 1.56 0.00 -1.26 -4.32 105.19 96.75 2tsa n GLY 37 Ca -0.00 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.21 2tsa n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2tsa n ASN 38 N 0.00 0.83 -4.91 1.61 5.03 -1.26 -4.43 115.26 112.12 2tsa n ASN 38 Ca 0.00 -0.91 -0.30 0.00 0.87 0.00 0.00 54.58 54.24 2tsa n ASN 38 Cb 0.00 0.54 -0.04 0.00 -1.02 0.00 0.00 39.78 39.26 2tsa n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2tsa s LEU 39 N -1.44 4.25 0.71 3.41 1.43 -1.26 -4.90 118.68 120.89 2tsa s LEU 39 Ca 0.04 0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 2tsa s LEU 39 Cb 0.04 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 43.06 2tsa s LEU 39 CO 0.15 0.02 1.07 -2.16 0.23 0.00 0.00 176.35 175.66 2tsa s PRO 40 N -2.92 2.80 0.26 1.29 0.04 -1.26 -1.41 135.00 133.79 2tsa s PRO 40 Ca 0.39 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 2tsa s PRO 40 Cb -0.12 -1.99 0.53 0.00 0.04 0.00 0.00 34.50 32.96 2tsa s PRO 40 CO 0.27 -1.15 1.69 -0.22 0.04 0.00 0.00 177.00 177.62 2tsa h LYS 41 N -0.75 0.30 0.00 4.56 3.64 -1.83 0.88 116.57 123.36 2tsa h LYS 41 Ca -0.45 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2tsa h LYS 41 Cb 1.23 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2tsa h LYS 41 CO 0.59 0.20 -0.08 -2.95 -2.27 0.00 0.00 179.45 174.93 2tsa h ASN 42 N 0.30 0.00 0.00 4.20 -1.07 -1.95 0.54 115.58 117.61 2tsa h ASN 42 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.82 2tsa h ASN 42 Cb 0.79 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 2tsa h ASN 42 CO -0.52 0.08 -1.81 0.52 0.07 0.00 0.00 177.43 175.78 2tsa n VAL 43 N -3.19 0.00 -2.68 6.14 0.31 -0.68 -4.82 118.33 113.41 2tsa n VAL 43 Ca 0.01 -0.41 -0.05 0.00 -0.01 0.00 0.00 64.34 63.88 2tsa n VAL 43 Cb 0.38 0.13 0.09 0.00 -0.91 0.00 0.00 33.84 33.53 2tsa n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2tsa n MET 44 N -2.12 0.39 -1.88 5.55 0.00 0.22 -4.99 117.12 114.29 2tsa n MET 44 Ca -0.03 -1.02 -0.32 0.00 -0.00 0.00 0.00 57.70 56.34 2tsa n MET 44 Cb 0.49 -0.30 0.02 0.00 0.00 0.00 0.00 33.22 33.43 2tsa n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2tsa s GLY 45 N -0.46 1.84 -0.03 -5.12 0.00 0.19 -4.68 107.32 99.06 2tsa s GLY 45 Ca 0.18 0.14 -0.02 0.00 0.00 0.00 0.00 44.72 45.02 2tsa s GLY 45 CO -0.13 0.43 0.06 0.30 0.00 0.00 0.00 173.10 173.76 2tsa s HIS 46 N -2.86 -0.06 0.44 1.90 3.76 -0.76 -4.81 115.29 112.89 2tsa s HIS 46 Ca 0.59 0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.73 2tsa s HIS 46 Cb -0.13 -0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.47 2tsa s HIS 46 CO 0.47 -0.06 0.02 0.54 -0.85 0.00 0.00 174.74 174.86 2tsa s ASN 47 N 0.38 3.75 -0.17 1.40 4.22 -1.26 -1.78 114.94 121.47 2tsa s ASN 47 Ca -0.03 -1.49 0.01 0.00 -2.14 0.00 0.00 52.86 49.21 2tsa s ASN 47 Cb -0.04 0.01 0.03 0.00 1.28 0.00 0.00 41.25 42.53 2tsa s ASN 47 CO -0.01 -0.64 -0.13 0.86 -2.04 0.00 0.00 177.10 175.14 2tsa s TRP 48 N -2.86 2.33 -0.01 1.54 -0.00 -1.26 -4.03 118.94 114.65 2tsa s TRP 48 Ca 0.24 -1.41 0.06 0.00 -0.00 0.00 0.00 56.10 54.99 2tsa s TRP 48 Cb 0.06 -1.65 -0.01 0.00 -0.00 0.00 0.00 33.47 31.87 2tsa s TRP 48 CO 0.12 -0.71 -0.18 0.08 -0.00 0.00 0.00 176.95 176.26 2tsa s VAL 49 N 1.43 1.43 -0.04 5.86 1.01 -0.50 0.17 120.40 129.76 2tsa s VAL 49 Ca 0.03 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2tsa s VAL 49 Cb -0.14 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2tsa s VAL 49 CO -0.10 0.38 -0.21 -0.22 0.00 0.00 0.00 175.10 174.95 2tsa s LEU 50 N -0.48 2.00 0.30 3.92 2.96 -0.42 -0.63 118.68 126.33 2tsa s LEU 50 Ca 0.07 -0.42 -0.18 0.00 -0.22 0.00 0.00 54.13 53.38 2tsa s LEU 50 Cb -0.07 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.49 2tsa s LEU 50 CO -0.01 0.21 0.69 -0.94 -1.32 0.00 0.00 176.35 174.99 2tsa s SER 51 N -0.17 -0.14 0.65 3.68 1.04 -0.82 -1.28 113.70 116.65 2tsa s SER 51 Ca -0.01 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.46 2tsa s SER 51 Cb -0.11 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 2tsa s SER 51 CO 0.02 -1.39 1.15 0.42 0.98 0.00 0.00 173.24 174.42 2tsa s THR 52 N -3.57 2.89 0.65 2.02 -4.23 -1.26 -1.33 115.64 110.81 2tsa s THR 52 Ca 0.14 0.46 0.44 0.00 -1.18 0.00 0.00 61.69 61.55 2tsa s THR 52 Cb -0.05 -3.04 0.44 0.00 1.34 0.00 0.00 72.50 71.19 2tsa s THR 52 CO 0.09 -0.21 2.36 0.00 -0.54 0.00 0.00 174.62 176.32 2tsa h ALA 53 N 0.28 1.04 -0.07 3.99 0.00 -1.76 -2.76 119.26 119.97 2tsa h ALA 53 Ca -0.48 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2tsa h ALA 53 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2tsa h ALA 53 CO 0.54 0.00 -0.34 0.00 0.00 0.00 0.00 179.25 179.45 2tsa h ALA 54 N 2.00 0.14 0.00 0.00 0.00 -1.89 -3.29 119.26 116.21 2tsa h ALA 54 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2tsa h ALA 54 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2tsa h ALA 54 CO 0.00 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.21 2tsa n ASP 55 N -4.41 0.00 -0.01 0.00 8.00 -1.06 -4.38 116.55 114.69 2tsa n ASP 55 Ca -0.08 0.26 -0.10 0.00 0.71 0.00 0.00 54.79 55.57 2tsa n ASP 55 Cb 0.51 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 2tsa n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2tsa h MET 56 N 0.00 0.06 -0.90 -1.24 4.05 -1.57 -2.34 114.93 112.99 2tsa h MET 56 Ca 0.00 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 2tsa h MET 56 Cb 0.42 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.14 2tsa h MET 56 CO 0.00 0.04 0.58 1.96 0.23 0.00 0.00 176.91 179.72 2tsa h GLN 57 N 0.06 0.93 -0.04 0.39 1.08 -1.82 -1.44 115.11 114.27 2tsa h GLN 57 Ca 0.06 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2tsa h GLN 57 Cb 0.06 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 2tsa h GLN 57 CO -0.08 0.62 -0.73 0.78 -0.95 0.00 0.00 178.83 178.46 2tsa h GLY 58 N 0.96 0.24 1.29 3.46 0.00 -1.83 -2.37 103.07 104.82 2tsa h GLY 58 Ca 0.40 -0.35 -0.24 0.00 0.00 0.00 0.00 47.33 47.14 2tsa h GLY 58 CO -0.16 0.31 -0.90 -2.08 0.00 0.00 0.00 176.54 173.70 2tsa h VAL 59 N 0.14 1.31 -0.27 4.60 2.07 -1.11 -2.44 116.25 120.55 2tsa h VAL 59 Ca -0.02 -2.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.29 2tsa h VAL 59 Cb 1.29 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 2tsa h VAL 59 CO 0.11 0.67 0.01 0.58 0.02 0.00 0.00 177.57 178.96 2tsa h VAL 60 N 0.41 1.16 0.08 2.57 2.07 -1.22 -1.09 116.25 120.23 2tsa h VAL 60 Ca -0.08 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 2tsa h VAL 60 Cb 1.54 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2tsa h VAL 60 CO 0.18 0.21 -0.55 0.74 0.02 0.00 0.00 177.57 178.17 2tsa h THR 61 N 0.39 1.57 0.00 2.57 2.02 -1.40 -2.91 112.91 115.15 2tsa h THR 61 Ca 0.09 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 2tsa h THR 61 Cb 0.25 3.21 -0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2tsa h THR 61 CO 0.01 0.66 -0.03 0.44 0.37 0.00 0.00 175.52 176.96 2tsa h ASP 62 N -0.64 0.00 -0.01 4.18 3.32 -1.49 -3.05 116.42 118.72 2tsa h ASP 62 Ca -0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2tsa h ASP 62 Cb 1.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2tsa h ASP 62 CO 0.07 0.03 -0.10 1.23 -1.72 0.00 0.00 179.24 178.76 2tsa h GLY 63 N 2.09 0.09 2.00 2.75 0.00 -1.24 -2.93 103.07 105.84 2tsa h GLY 63 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2tsa h GLY 63 CO 0.00 0.13 0.00 1.15 0.00 0.00 0.00 176.54 177.82 2tsa n MET 64 N -4.65 0.15 0.12 4.80 0.00 -1.10 -0.90 117.12 115.53 2tsa n MET 64 Ca -0.09 0.39 0.12 0.00 0.00 0.00 0.00 57.70 58.12 2tsa n MET 64 Cb 0.40 -1.79 0.09 0.00 0.00 0.00 0.00 33.22 31.92 2tsa n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2tsa h ALA 65 N 2.30 0.64 0.00 3.17 0.00 -1.56 -3.32 119.26 120.49 2tsa h ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2tsa h ALA 65 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2tsa h ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 2tsa n SER 66 N -2.64 0.41 0.00 0.00 7.64 -0.08 -5.04 113.62 113.91 2tsa n SER 66 Ca 0.02 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2tsa n SER 66 Cb 0.52 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2tsa n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tsa n GLY 67 N 1.38 -2.54 0.31 0.23 0.00 -1.25 -4.28 105.19 99.05 2tsa n GLY 67 Ca 0.06 -1.41 0.17 0.00 0.00 0.00 0.00 46.02 44.84 2tsa n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2tsa h LEU 68 N 0.00 0.00 -0.00 0.99 6.46 -1.92 -0.68 115.31 120.16 2tsa h LEU 68 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2tsa h LEU 68 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2tsa h LEU 68 CO 0.00 0.00 -0.00 -0.90 -0.62 0.00 0.00 178.44 176.92 2tsa n ASP 69 N -3.64 0.00 -0.40 1.25 5.75 -1.26 -2.14 116.55 116.11 2tsa n ASP 69 Ca -0.03 0.18 0.04 0.00 -0.01 0.00 0.00 54.79 54.97 2tsa n ASP 69 Cb 0.08 -0.39 0.11 0.00 -1.03 0.00 0.00 41.12 39.89 2tsa n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2tsa n LYS 70 N -1.39 2.82 -1.45 0.11 4.76 -0.31 -4.96 118.16 117.74 2tsa n LYS 70 Ca 0.11 -1.97 -0.15 0.00 -2.87 0.00 0.00 58.31 53.42 2tsa n LYS 70 Cb 0.29 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 2tsa n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2tsa n ASP 71 N -0.08 -5.06 -3.21 4.39 8.00 -0.91 -2.10 116.55 117.58 2tsa n ASP 71 Ca 0.09 0.38 -0.19 0.00 0.71 0.00 0.00 54.79 55.77 2tsa n ASP 71 Cb 0.42 -3.91 0.07 0.00 -0.02 0.00 0.00 41.12 37.68 2tsa n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2tsa n TYR 72 N -2.48 -2.37 -3.81 1.24 4.01 -0.92 -4.67 117.16 108.15 2tsa n TYR 72 Ca -0.15 0.88 -0.14 0.00 -0.16 0.00 0.00 57.90 58.33 2tsa n TYR 72 Cb 0.54 -4.63 -0.15 0.00 -0.31 0.00 0.00 39.34 34.79 2tsa n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2tsa s LEU 73 N -6.37 1.45 0.22 7.72 1.43 -0.89 -4.32 118.68 117.92 2tsa s LEU 73 Ca 0.36 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 2tsa s LEU 73 Cb -0.16 -0.01 -0.08 0.00 0.03 0.00 0.00 46.19 45.96 2tsa s LEU 73 CO 0.65 -0.07 1.16 -0.75 0.23 0.00 0.00 176.35 177.56 2tsa s LYS 74 N 0.61 4.54 0.54 1.70 2.20 -1.26 -4.79 119.74 123.28 2tsa s LYS 74 Ca -0.05 1.85 -0.18 0.00 -0.36 0.00 0.00 55.97 57.23 2tsa s LYS 74 Cb -0.07 -3.22 -0.06 0.00 -1.51 0.00 0.00 37.83 32.96 2tsa s LYS 74 CO -0.02 0.01 1.05 -1.25 -0.36 0.00 0.00 175.35 174.78 2tsa s PRO 75 N -0.66 3.57 -1.74 4.03 0.04 -1.26 -3.06 135.00 135.92 2tsa s PRO 75 Ca 0.50 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2tsa s PRO 75 Cb -0.32 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2tsa s PRO 75 CO 0.38 -0.61 0.00 -0.25 0.04 0.00 0.00 177.00 176.56 2tsa n ASP 76 N -1.48 -5.26 -4.60 6.66 8.00 -1.26 -4.82 116.55 113.78 2tsa n ASP 76 Ca 0.09 0.18 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 2tsa n ASP 76 Cb 0.53 -4.50 -0.03 0.00 -0.02 0.00 0.00 41.12 37.10 2tsa n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2tsa s ASP 77 N -2.23 5.64 0.00 -2.24 -1.08 -1.17 -4.81 116.67 110.77 2tsa s ASP 77 Ca 0.00 1.64 0.08 0.00 -0.52 0.00 0.00 52.55 53.75 2tsa s ASP 77 Cb 0.00 -2.52 0.36 0.00 -1.46 0.00 0.00 42.92 39.30 2tsa s ASP 77 CO 0.00 -1.86 1.20 -1.54 0.52 0.00 0.00 175.17 173.49 2tsa n SER 78 N 11.11 0.00 0.02 -0.34 3.41 -1.26 -2.31 113.62 124.24 2tsa n SER 78 Ca 0.27 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2tsa n SER 78 Cb 0.46 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 64.11 2tsa n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2tsa n ARG 79 N -1.42 0.13 -2.99 4.33 1.74 -1.26 -4.78 116.66 112.41 2tsa n ARG 79 Ca 0.03 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.69 2tsa n ARG 79 Cb 0.08 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 29.91 2tsa n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2tsa s VAL 80 N -3.08 4.68 0.09 1.55 1.01 -0.98 -4.49 120.40 119.18 2tsa s VAL 80 Ca 0.08 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 2tsa s VAL 80 Cb 0.16 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 2tsa s VAL 80 CO 0.75 -0.69 1.65 0.40 0.00 0.00 0.00 175.10 177.22 2tsa h ILE 81 N 5.95 1.12 -2.65 2.22 2.04 -1.49 -3.47 117.51 121.24 2tsa h ILE 81 Ca -0.25 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 2tsa h ILE 81 Cb 1.09 1.12 -0.15 0.00 -0.74 0.00 0.00 36.82 38.13 2tsa h ILE 81 CO 0.95 0.11 0.16 0.00 0.00 0.00 0.00 178.15 179.37 2tsa s ALA 82 N -5.71 -1.58 0.01 1.87 0.00 -1.24 -5.02 121.76 110.09 2tsa s ALA 82 Ca -0.14 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 2tsa s ALA 82 Cb 0.07 0.51 0.07 0.00 0.00 0.00 0.00 23.12 23.76 2tsa s ALA 82 CO 0.69 -0.59 0.65 -3.38 0.00 0.00 0.00 175.76 173.13 2tsa s HIS 83 N -2.69 -0.62 0.00 0.00 -3.43 -1.26 -1.30 115.29 105.99 2tsa s HIS 83 Ca -0.04 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 2tsa s HIS 83 Cb -0.01 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 2tsa s HIS 83 CO -0.04 -0.67 0.00 0.25 -2.00 0.00 0.00 174.74 172.28 2tsa n THR 84 N 0.56 0.00 -3.79 -5.38 -2.24 0.13 -4.86 114.28 98.69 2tsa n THR 84 Ca -0.18 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 2tsa n THR 84 Cb 0.59 -1.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 2tsa n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2tsa s LYS 85 N -1.21 2.42 0.26 -0.78 -2.85 -1.26 -4.61 119.74 111.71 2tsa s LYS 85 Ca 0.00 -1.64 -0.30 0.00 -1.00 0.00 0.00 55.97 53.04 2tsa s LYS 85 Cb 0.00 -2.23 -0.09 0.00 -2.06 0.00 0.00 37.83 33.44 2tsa s LYS 85 CO 0.00 -0.15 1.03 -1.17 0.10 0.00 0.00 175.35 175.17 2tsa s LEU 86 N -4.04 4.59 0.03 2.77 2.96 -1.26 -4.45 118.68 119.28 2tsa s LEU 86 Ca 0.45 2.13 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 2tsa s LEU 86 Cb -0.01 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 2tsa s LEU 86 CO 0.26 -0.02 -0.04 0.27 -1.32 0.00 0.00 176.35 175.50 2tsa s ILE 87 N -1.14 0.24 0.30 6.68 -4.36 -0.74 -4.88 121.20 117.31 2tsa s ILE 87 Ca 0.43 -0.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.93 2tsa s ILE 87 Cb -0.29 -0.36 0.05 0.00 1.25 0.00 0.00 42.46 43.11 2tsa s ILE 87 CO 0.37 -0.44 0.42 0.61 0.24 0.00 0.00 174.94 176.14 2tsa n GLY 88 N 1.62 1.75 3.76 6.27 0.00 -1.26 -1.83 105.19 115.50 2tsa n GLY 88 Ca -0.23 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.27 2tsa n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2tsa s SER 89 N -2.85 5.44 0.00 1.61 1.04 -0.50 -2.00 113.70 116.44 2tsa s SER 89 Ca 0.31 2.52 0.00 0.00 0.48 0.00 0.00 55.95 59.26 2tsa s SER 89 Cb -0.02 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2tsa s SER 89 CO 0.20 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.60 2tsa n GLY 90 N 0.59 2.52 3.92 7.32 0.00 0.89 -4.94 105.19 115.49 2tsa n GLY 90 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2tsa n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2tsa n GLU 91 N -2.00 0.05 -3.50 1.61 1.02 -0.85 -4.91 120.64 112.06 2tsa n GLU 91 Ca 0.00 -2.84 -0.14 0.00 -0.02 0.00 0.00 57.16 54.16 2tsa n GLU 91 Cb 0.00 -0.57 -0.04 0.00 -0.02 0.00 0.00 31.44 30.81 2tsa n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2tsa s LYS 92 N -5.02 0.99 0.15 3.49 2.47 -1.26 -2.21 119.74 118.36 2tsa s LYS 92 Ca 0.66 -0.03 -0.24 0.00 -1.56 0.00 0.00 55.97 54.79 2tsa s LYS 92 Cb -0.04 0.46 0.07 0.00 -1.46 0.00 0.00 37.83 36.86 2tsa s LYS 92 CO 0.43 -0.37 0.66 0.34 0.16 0.00 0.00 175.35 176.57 2tsa s ASP 93 N -1.77 -0.51 0.07 1.43 2.15 -0.71 -5.01 116.67 112.33 2tsa s ASP 93 Ca -0.04 -0.06 0.01 0.00 0.43 0.00 0.00 52.55 52.89 2tsa s ASP 93 Cb -0.00 0.58 -0.04 0.00 -0.30 0.00 0.00 42.92 43.16 2tsa s ASP 93 CO -0.00 -0.96 -0.06 -0.44 -0.17 0.00 0.00 175.17 173.54 2tsa s SER 94 N -2.73 0.90 -0.04 -0.34 0.01 -1.26 -1.59 113.70 108.64 2tsa s SER 94 Ca 0.03 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.33 2tsa s SER 94 Cb -0.01 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.34 2tsa s SER 94 CO -0.10 -0.45 0.12 0.54 0.41 0.00 0.00 173.24 173.75 2tsa s VAL 95 N -3.25 0.00 -0.13 3.43 0.11 -0.88 -4.90 120.40 114.78 2tsa s VAL 95 Ca 0.06 -0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2tsa s VAL 95 Cb 0.03 -0.17 0.02 0.00 -1.53 0.00 0.00 36.38 34.73 2tsa s VAL 95 CO -0.05 -0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.69 2tsa s THR 96 N 0.06 1.49 0.30 5.04 2.01 -1.26 -0.11 115.64 123.17 2tsa s THR 96 Ca -0.00 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.49 2tsa s THR 96 Cb -0.01 -1.39 -0.06 0.00 0.01 0.00 0.00 72.50 71.05 2tsa s THR 96 CO 0.00 0.44 -0.08 0.72 -0.69 0.00 0.00 174.62 175.01 2tsa s PHE 97 N 1.36 2.13 -0.35 4.92 -0.71 0.11 -4.90 117.98 120.54 2tsa s PHE 97 Ca 0.01 -0.60 -0.28 0.00 -1.04 0.00 0.00 56.93 55.02 2tsa s PHE 97 Cb -0.13 -1.20 0.02 0.00 -1.21 0.00 0.00 43.02 40.50 2tsa s PHE 97 CO -0.08 0.42 1.05 0.34 -1.34 0.00 0.00 175.22 175.62 2tsa s ASP 98 N -3.51 6.84 0.00 1.98 -1.08 -1.26 -0.15 116.67 119.49 2tsa s ASP 98 Ca 0.30 0.88 0.02 0.00 -0.52 0.00 0.00 52.55 53.23 2tsa s ASP 98 Cb 0.03 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 39.03 2tsa s ASP 98 CO 0.14 -0.92 0.96 0.52 0.52 0.00 0.00 175.17 176.38 2tsa n VAL 99 N 6.02 1.54 1.82 1.11 0.31 -1.09 -1.89 118.33 126.15 2tsa n VAL 99 Ca 0.11 0.38 0.14 0.00 -0.01 0.00 0.00 64.34 64.96 2tsa n VAL 99 Cb 0.48 -1.36 0.74 0.00 -0.91 0.00 0.00 33.84 32.79 2tsa n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2tsa n SER 100 N -1.41 0.49 0.07 4.52 3.41 -1.26 -2.50 113.62 116.94 2tsa n SER 100 Ca 0.01 -1.24 0.12 0.00 -0.26 0.00 0.00 58.87 57.50 2tsa n SER 100 Cb 0.02 -0.01 0.25 0.00 -0.26 0.00 0.00 64.21 64.21 2tsa n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2tsa n LYS 101 N -0.58 0.27 -3.86 4.33 4.76 -0.79 -4.88 118.16 117.41 2tsa n LYS 101 Ca 0.21 0.12 -0.21 0.00 -2.87 0.00 0.00 58.31 55.56 2tsa n LYS 101 Cb 0.18 -1.71 -0.02 0.00 -1.84 0.00 0.00 35.03 31.64 2tsa n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2tsa s LEU 102 N -4.25 4.21 -0.01 -0.35 1.43 -1.04 -5.11 118.68 113.56 2tsa s LEU 102 Ca 0.08 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2tsa s LEU 102 Cb 0.13 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2tsa s LEU 102 CO 0.68 -0.16 -0.02 -1.59 0.23 0.00 0.00 176.35 175.49 2tsa s LYS 103 N -4.02 0.26 0.62 1.70 -2.85 -1.26 -5.06 119.74 109.12 2tsa s LYS 103 Ca 0.37 -0.08 -0.16 0.00 -1.00 0.00 0.00 55.97 55.10 2tsa s LYS 103 Cb -0.09 -0.28 -0.02 0.00 -2.06 0.00 0.00 37.83 35.38 2tsa s LYS 103 CO 0.29 0.03 1.09 -1.83 0.10 0.00 0.00 175.35 175.03 2tsa s GLU 104 N 0.11 3.07 0.00 1.78 -1.05 -1.26 -3.56 118.70 117.80 2tsa s GLU 104 Ca -0.01 1.34 0.00 0.00 -0.15 0.00 0.00 54.97 56.15 2tsa s GLU 104 Cb -0.03 -1.99 0.00 0.00 -0.44 0.00 0.00 34.13 31.67 2tsa s GLU 104 CO -0.00 -1.02 0.00 0.41 0.95 0.00 0.00 175.26 175.59 2tsa n GLY 105 N -0.63 2.76 3.75 -3.83 0.00 -1.26 -5.03 105.19 100.96 2tsa n GLY 105 Ca 0.10 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 2tsa n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2tsa s GLU 106 N 0.00 4.13 0.25 1.61 2.12 -1.23 -5.02 118.70 120.55 2tsa s GLU 106 Ca 0.00 2.57 -0.18 0.00 0.36 0.00 0.00 54.97 57.72 2tsa s GLU 106 Cb 0.00 -3.02 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 2tsa s GLU 106 CO 0.00 -0.61 0.71 -1.14 -0.54 0.00 0.00 175.26 173.68 2tsa s GLN 107 N -0.64 4.15 0.05 4.30 0.74 -1.26 -4.85 119.66 122.14 2tsa s GLN 107 Ca 0.62 0.77 0.03 0.00 0.05 0.00 0.00 55.36 56.83 2tsa s GLN 107 Cb -0.47 -2.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.87 2tsa s GLN 107 CO 0.49 0.32 -0.10 0.71 -0.55 0.00 0.00 175.29 176.17 2tsa s TYR 108 N -1.67 0.84 -0.01 1.67 2.02 -1.24 -2.38 117.35 116.58 2tsa s TYR 108 Ca 0.46 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 2tsa s TYR 108 Cb -0.14 -0.49 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 2tsa s TYR 108 CO 0.20 -0.04 -0.09 -1.64 -1.57 0.00 0.00 175.55 172.41 2tsa s MET 109 N -1.56 0.74 0.16 -0.62 -1.94 -0.44 -1.37 119.30 114.26 2tsa s MET 109 Ca -0.07 -0.32 0.09 0.00 -1.71 0.00 0.00 55.69 53.68 2tsa s MET 109 Cb -0.10 -0.71 -0.04 0.00 2.01 0.00 0.00 34.83 35.99 2tsa s MET 109 CO 0.01 0.19 -0.10 -0.59 -0.01 0.00 0.00 175.02 174.51 2tsa s PHE 110 N -0.18 2.64 -0.11 -0.03 -0.71 -0.03 -1.95 117.98 117.61 2tsa s PHE 110 Ca 0.03 -0.21 -0.33 0.00 -1.04 0.00 0.00 56.93 55.38 2tsa s PHE 110 Cb -0.04 -1.32 0.12 0.00 -1.21 0.00 0.00 43.02 40.58 2tsa s PHE 110 CO -0.00 0.49 1.14 -0.59 -1.34 0.00 0.00 175.22 174.92 2tsa s PHE 111 N -1.57 -0.16 -0.08 3.49 -0.12 0.20 -0.65 117.98 119.09 2tsa s PHE 111 Ca 0.24 0.07 -0.22 0.00 -0.05 0.00 0.00 56.93 56.96 2tsa s PHE 111 Cb -0.09 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2tsa s PHE 111 CO 0.14 -0.31 0.66 0.00 -0.05 0.00 0.00 175.22 175.66 2tsa n THR 113 N 3.77 0.91 -2.37 0.00 -2.24 -1.26 -2.89 114.28 110.20 2tsa n THR 113 Ca -0.02 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.53 2tsa n THR 113 Cb 0.51 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 2tsa n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2tsa s PHE 114 N -1.33 3.41 -0.12 4.78 2.19 -1.26 -4.38 117.98 121.27 2tsa s PHE 114 Ca 0.39 1.29 -0.05 0.00 0.33 0.00 0.00 56.93 58.89 2tsa s PHE 114 Cb 0.21 -3.46 -0.03 0.00 -1.31 0.00 0.00 43.02 38.44 2tsa s PHE 114 CO 0.25 -1.40 0.37 -2.30 1.83 0.00 0.00 175.22 173.97 2tsa n PRO 115 N 3.46 0.00 -0.94 10.12 -0.02 -1.26 -0.26 135.00 146.09 2tsa n PRO 115 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2tsa n PRO 115 Cb 0.45 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 2tsa n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tsa n GLY 116 N 1.03 0.50 0.13 -1.23 0.00 -1.26 -4.90 105.19 99.46 2tsa n GLY 116 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 2tsa n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2tsa h HIS 117 N 0.00 0.56 0.00 1.61 3.86 -0.91 -3.36 115.15 116.92 2tsa h HIS 117 Ca 0.00 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2tsa h HIS 117 Cb 0.17 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2tsa h HIS 117 CO 0.11 1.59 0.22 0.66 0.86 0.00 0.00 177.93 181.36 2tsa h SER 118 N 0.08 0.00 -0.31 2.45 4.64 -1.69 0.36 113.55 119.09 2tsa h SER 118 Ca -0.33 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.91 2tsa h SER 118 Cb 2.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.13 2tsa h SER 118 CO 0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.04 2tsa h ALA 119 N 1.46 1.10 0.00 5.18 0.00 -1.90 -3.33 119.26 121.78 2tsa h ALA 119 Ca 0.00 -0.28 -0.33 0.00 0.00 0.00 0.00 54.91 54.29 2tsa h ALA 119 Cb 0.43 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 2tsa h ALA 119 CO 0.00 0.56 -2.26 1.28 0.00 0.00 0.00 179.25 178.83 2tsa n LEU 120 N -4.19 1.91 -4.38 0.00 4.77 0.11 -4.83 117.00 110.39 2tsa n LEU 120 Ca 0.02 -0.08 -0.45 0.00 -0.03 0.00 0.00 56.01 55.47 2tsa n LEU 120 Cb 0.33 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2tsa n LEU 120 CO 0.42 0.72 0.89 0.00 -1.33 0.00 0.00 177.39 178.09 2tsa s ALA 121 N -2.44 4.35 0.18 -1.18 0.00 -0.31 -4.68 121.76 117.68 2tsa s ALA 121 Ca -0.23 -3.56 -0.21 0.00 0.00 0.00 0.00 51.96 47.97 2tsa s ALA 121 Cb 0.07 -3.73 0.05 0.00 0.00 0.00 0.00 23.12 19.50 2tsa s ALA 121 CO 0.59 -2.42 0.58 -1.59 0.00 0.00 0.00 175.76 172.93 2tsa s LYS 122 N -0.03 1.36 0.10 0.00 0.00 -1.26 -1.91 119.74 117.99 2tsa s LYS 122 Ca 0.32 -0.66 -0.17 0.00 0.00 0.00 0.00 55.97 55.45 2tsa s LYS 122 Cb -0.08 0.56 0.06 0.00 0.00 0.00 0.00 37.83 38.37 2tsa s LYS 122 CO -0.06 -0.59 0.79 0.41 0.00 0.00 0.00 175.35 175.90 2tsa n GLY 123 N -0.37 0.68 3.71 0.59 0.00 0.17 -4.79 105.19 105.19 2tsa n GLY 123 Ca -0.13 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 2tsa n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2tsa s THR 124 N -2.16 3.93 -0.06 2.61 -4.23 -0.77 -0.85 115.64 114.11 2tsa s THR 124 Ca 0.18 -1.43 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2tsa s THR 124 Cb -0.02 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.82 2tsa s THR 124 CO 0.03 -0.18 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.62 2tsa s LEU 125 N -3.21 1.50 0.01 4.79 0.20 -0.47 -1.15 118.68 120.36 2tsa s LEU 125 Ca 0.29 -0.23 0.07 0.00 0.69 0.00 0.00 54.13 54.95 2tsa s LEU 125 Cb -0.09 -0.67 -0.02 0.00 -0.43 0.00 0.00 46.19 44.99 2tsa s LEU 125 CO 0.21 -0.01 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.17 2tsa s THR 126 N 0.79 1.59 -0.27 3.68 2.01 0.15 -3.65 115.64 119.93 2tsa s THR 126 Ca -0.13 -1.01 -0.25 0.00 0.31 0.00 0.00 61.69 60.61 2tsa s THR 126 Cb -0.15 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.01 2tsa s THR 126 CO 0.02 0.32 0.87 -0.22 -0.69 0.00 0.00 174.62 174.92 2tsa s LEU 127 N -0.81 4.06 0.00 4.42 2.96 -1.26 0.27 118.68 128.33 2tsa s LEU 127 Ca 0.07 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 2tsa s LEU 127 Cb -0.08 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.38 2tsa s LEU 127 CO 0.00 -0.62 0.31 1.17 -1.32 0.00 0.00 176.35 175.89