#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdi n LYS 1 N 0.00 0.22 -4.85 -2.82 3.00 -1.23 -3.48 118.16 109.00 1cdi n LYS 1 Ca 0.00 -0.20 -0.32 0.00 -0.00 0.00 0.00 58.31 57.79 1cdi n LYS 1 Cb 0.00 -1.93 -0.13 0.00 0.00 0.00 0.00 35.03 32.97 1cdi n LYS 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1cdi s LYS 2 N 7.92 2.26 0.16 1.64 2.20 -0.95 -5.06 119.74 127.91 1cdi s LYS 2 Ca 1.21 -0.85 0.09 0.00 -0.36 0.00 0.00 55.97 56.06 1cdi s LYS 2 Cb -0.70 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1cdi s LYS 2 CO 0.41 0.58 -0.21 0.08 -0.36 0.00 0.00 175.35 175.85 1cdi s VAL 3 N -0.80 1.99 -0.03 4.02 1.01 -1.26 -2.48 120.40 122.85 1cdi s VAL 3 Ca 0.13 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.25 1cdi s VAL 3 Cb -0.10 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1cdi s VAL 3 CO 0.02 -0.18 0.00 -0.69 0.00 0.00 0.00 175.10 174.26 1cdi s VAL 4 N -1.69 0.17 -0.16 2.92 1.01 0.43 -4.92 120.40 118.18 1cdi s VAL 4 Ca 0.15 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 1cdi s VAL 4 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1cdi s VAL 4 CO 0.07 0.14 -0.03 -0.76 0.00 0.00 0.00 175.10 174.52 1cdi s LEU 5 N 0.98 3.30 0.00 3.92 1.02 -1.26 0.99 118.68 127.63 1cdi s LEU 5 Ca -0.10 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 53.95 1cdi s LEU 5 Cb -0.13 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.28 1cdi s LEU 5 CO -0.02 0.17 0.03 0.61 0.02 0.00 0.00 176.35 177.17 1cdi n GLY 6 N 3.52 3.66 3.10 -3.19 0.00 -0.42 -4.82 105.19 107.04 1cdi n GLY 6 Ca -0.17 -2.31 -0.24 0.00 0.00 0.00 0.00 46.02 43.30 1cdi n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cdi s LYS 7 N -3.24 1.39 -0.25 1.61 1.02 -1.26 -2.49 119.74 116.52 1cdi s LYS 7 Ca 0.03 -0.51 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 1cdi s LYS 7 Cb -0.00 -1.26 -0.09 0.00 -0.52 0.00 0.00 37.83 35.96 1cdi s LYS 7 CO 0.02 0.23 2.16 1.17 -0.92 0.00 0.00 175.35 178.01 1cdi n LYS 8 N 3.05 1.65 0.00 1.68 4.81 0.33 -1.80 118.16 127.88 1cdi n LYS 8 Ca -0.17 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1cdi n LYS 8 Cb 0.54 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1cdi n LYS 8 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cdi n GLY 9 N 5.86 3.15 3.38 3.14 0.00 -1.04 -4.95 105.19 114.74 1cdi n GLY 9 Ca 0.33 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 1cdi n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cdi n ASP 10 N 0.99 -1.97 -4.68 1.61 2.03 -0.75 -3.59 116.55 110.19 1cdi n ASP 10 Ca 0.00 -0.03 -0.32 0.00 0.52 0.00 0.00 54.79 54.96 1cdi n ASP 10 Cb 0.00 -1.12 -0.09 0.00 -0.72 0.00 0.00 41.12 39.19 1cdi n ASP 10 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1cdi s THR 11 N -2.34 4.14 0.08 5.18 2.01 -1.26 -2.58 115.64 120.88 1cdi s THR 11 Ca 0.60 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1cdi s THR 11 Cb -0.18 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1cdi s THR 11 CO 0.66 0.36 -0.08 0.54 -0.69 0.00 0.00 174.62 175.41 1cdi s VAL 12 N -1.10 0.72 -0.06 3.82 0.11 -0.85 -4.93 120.40 118.12 1cdi s VAL 12 Ca 0.20 -1.66 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 1cdi s VAL 12 Cb -0.12 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.42 1cdi s VAL 12 CO 0.11 -0.68 -0.03 -0.70 -3.33 0.00 0.00 175.10 170.47 1cdi s GLU 13 N -3.03 0.74 -0.15 1.54 2.12 -1.26 -1.85 118.70 116.80 1cdi s GLU 13 Ca 0.05 -0.02 -0.10 0.00 0.36 0.00 0.00 54.97 55.26 1cdi s GLU 13 Cb -0.00 -0.89 -0.05 0.00 0.26 0.00 0.00 34.13 33.45 1cdi s GLU 13 CO -0.02 -0.17 0.18 -0.51 -0.54 0.00 0.00 175.26 174.20 1cdi s LEU 14 N 1.34 4.30 0.05 2.70 1.02 -0.08 -4.99 118.68 123.02 1cdi s LEU 14 Ca -0.05 0.42 -0.17 0.00 0.02 0.00 0.00 54.13 54.35 1cdi s LEU 14 Cb -0.13 -2.17 -0.06 0.00 0.02 0.00 0.00 46.19 43.84 1cdi s LEU 14 CO -0.02 0.26 0.51 -0.89 0.02 0.00 0.00 176.35 176.22 1cdi s THR 15 N -0.22 4.85 -0.20 5.49 2.01 -1.26 -3.20 115.64 123.11 1cdi s THR 15 Ca 0.13 1.06 -0.08 0.00 0.31 0.00 0.00 61.69 63.11 1cdi s THR 15 Cb -0.12 -3.82 0.08 0.00 0.01 0.00 0.00 72.50 68.65 1cdi s THR 15 CO 0.02 0.55 0.44 0.00 -0.69 0.00 0.00 174.62 174.94 1cdi s THR 17 N 2.26 1.71 0.00 0.00 2.01 -1.26 -0.75 115.64 119.60 1cdi s THR 17 Ca -0.04 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1cdi s THR 17 Cb -0.11 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1cdi s THR 17 CO -0.13 0.48 0.00 0.00 -0.69 0.00 0.00 174.62 174.28 1cdi n ALA 18 N 2.63 0.00 -0.86 7.40 0.00 0.55 -5.01 120.51 125.23 1cdi n ALA 18 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1cdi n ALA 18 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1cdi n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cdi n SER 19 N -0.58 -1.86 -4.89 0.00 7.64 -1.26 -5.08 113.62 107.59 1cdi n SER 19 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1cdi n SER 19 Cb 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 62.83 1cdi n SER 19 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1cdi s GLN 20 N -1.77 2.26 -0.05 1.43 -0.21 -1.26 -4.98 119.66 115.09 1cdi s GLN 20 Ca 0.00 -2.01 -0.21 0.00 0.02 0.00 0.00 55.36 53.16 1cdi s GLN 20 Cb 0.00 -2.08 -0.10 0.00 1.00 0.00 0.00 33.01 31.82 1cdi s GLN 20 CO 0.00 -0.57 0.60 1.17 -2.12 0.00 0.00 175.29 174.37 1cdi n LYS 21 N -1.72 0.00 -0.31 2.91 4.81 -1.26 -4.71 118.16 117.88 1cdi n LYS 21 Ca -0.02 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.57 1cdi n LYS 21 Cb 0.64 -0.77 0.32 0.00 0.02 0.00 0.00 35.03 35.25 1cdi n LYS 21 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1cdi h LYS 22 N 1.73 0.20 -4.48 1.64 6.56 -1.94 -3.37 116.57 116.91 1cdi h LYS 22 Ca -0.25 -0.01 -0.68 0.00 -1.06 0.00 0.00 60.65 58.64 1cdi h LYS 22 Cb 0.72 -0.05 -0.36 0.00 -0.57 0.00 0.00 32.23 31.97 1cdi h LYS 22 CO 0.36 0.13 -0.59 -1.12 -2.06 0.00 0.00 179.45 176.18 1cdi s SER 23 N -5.04 5.09 0.20 0.86 0.01 -1.26 -2.44 113.70 111.11 1cdi s SER 23 Ca -0.12 -2.13 0.02 0.00 1.31 0.00 0.00 55.95 55.04 1cdi s SER 23 Cb 0.27 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 1cdi s SER 23 CO 0.77 -0.48 0.08 2.30 0.41 0.00 0.00 173.24 176.32 1cdi n ILE 24 N 4.41 0.00 -3.79 1.44 -5.35 -1.26 -5.05 119.36 109.76 1cdi n ILE 24 Ca 0.00 -1.17 -0.35 0.00 -0.27 0.00 0.00 62.75 60.96 1cdi n ILE 24 Cb 0.41 0.44 -0.08 0.00 -1.74 0.00 0.00 39.64 38.67 1cdi n ILE 24 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1cdi s GLN 25 N -2.75 4.05 0.37 6.28 1.11 -1.26 -5.00 119.66 122.46 1cdi s GLN 25 Ca 0.11 -0.22 0.04 0.00 0.01 0.00 0.00 55.36 55.29 1cdi s GLN 25 Cb 0.01 -3.36 -0.04 0.00 -1.01 0.00 0.00 33.01 28.60 1cdi s GLN 25 CO 0.08 0.37 0.09 -0.59 0.01 0.00 0.00 175.29 175.25 1cdi s PHE 26 N 0.15 1.87 0.01 0.91 -0.71 -1.25 -3.35 117.98 115.61 1cdi s PHE 26 Ca 0.09 -1.11 -0.16 0.00 -1.04 0.00 0.00 56.93 54.71 1cdi s PHE 26 Cb -0.11 -1.24 0.03 0.00 -1.21 0.00 0.00 43.02 40.48 1cdi s PHE 26 CO -0.01 -0.12 0.34 -1.01 -1.34 0.00 0.00 175.22 173.07 1cdi s HIS 27 N -3.24 -0.19 -0.05 3.49 3.76 0.19 -3.42 115.29 115.83 1cdi s HIS 27 Ca 0.29 0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 55.39 1cdi s HIS 27 Cb 0.05 0.13 0.03 0.00 1.11 0.00 0.00 32.58 33.90 1cdi s HIS 27 CO 0.14 -0.46 0.03 -1.58 -0.85 0.00 0.00 174.74 172.02 1cdi s TRP 28 N -1.88 0.29 0.02 1.40 0.52 0.10 0.31 118.94 119.70 1cdi s TRP 28 Ca -0.10 0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.10 1cdi s TRP 28 Cb -0.03 -0.54 -0.02 0.00 -1.15 0.00 0.00 33.47 31.73 1cdi s TRP 28 CO 0.01 -0.21 -0.04 -1.59 0.02 0.00 0.00 176.95 175.14 1cdi s LYS 29 N 1.81 0.32 0.13 4.98 -2.85 -0.55 -1.34 119.74 122.24 1cdi s LYS 29 Ca 0.01 -0.57 -0.21 0.00 -1.00 0.00 0.00 55.97 54.19 1cdi s LYS 29 Cb -0.12 0.03 -0.07 0.00 -2.06 0.00 0.00 37.83 35.60 1cdi s LYS 29 CO -0.03 -0.03 0.66 0.54 0.10 0.00 0.00 175.35 176.59 1cdi s ASN 30 N -1.33 7.17 0.39 0.03 2.20 -0.54 0.72 114.94 123.57 1cdi s ASN 30 Ca -0.13 1.41 0.29 0.00 -0.94 0.00 0.00 52.86 53.49 1cdi s ASN 30 Cb -0.09 -2.41 1.30 0.00 -2.00 0.00 0.00 41.25 38.05 1cdi s ASN 30 CO -0.01 0.21 1.35 -0.24 -2.94 0.00 0.00 177.10 175.47 1cdi n SER 31 N 1.49 0.17 -0.63 3.54 2.88 0.14 0.19 113.62 121.41 1cdi n SER 31 Ca -0.07 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1cdi n SER 31 Cb 0.50 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1cdi n SER 31 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1cdi n ASN 32 N -4.39 0.31 0.00 -3.46 5.15 -1.26 -4.76 115.26 106.85 1cdi n ASN 32 Ca 0.35 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.93 1cdi n ASN 32 Cb 1.38 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 40.53 1cdi n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1cdi n GLN 33 N 0.53 0.00 -2.47 1.20 1.13 0.52 -4.94 117.38 113.34 1cdi n GLN 33 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1cdi n GLN 33 Cb 0.06 -2.38 -0.04 0.00 0.11 0.00 0.00 30.24 28.00 1cdi n GLN 33 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1cdi s ILE 34 N -0.15 3.82 0.57 5.09 1.01 -1.20 -4.63 121.20 125.71 1cdi s ILE 34 Ca 0.00 1.52 -0.15 0.00 0.00 0.00 0.00 60.65 62.02 1cdi s ILE 34 Cb 0.00 -3.97 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 1cdi s ILE 34 CO 0.00 0.24 1.01 -1.59 0.00 0.00 0.00 174.94 174.60 1cdi s LYS 35 N -0.17 3.68 -0.05 2.79 -2.85 -1.26 -1.47 119.74 120.41 1cdi s LYS 35 Ca 0.51 0.95 -0.00 0.00 -1.00 0.00 0.00 55.97 56.43 1cdi s LYS 35 Cb -0.30 -2.09 -0.03 0.00 -2.06 0.00 0.00 37.83 33.35 1cdi s LYS 35 CO 0.35 -0.50 -0.05 -0.89 0.10 0.00 0.00 175.35 174.36 1cdi n ILE 36 N -2.05 0.26 -3.63 3.79 -0.00 -0.45 -4.08 119.36 113.21 1cdi n ILE 36 Ca 0.07 -0.09 -0.10 0.00 -0.00 0.00 0.00 62.75 62.63 1cdi n ILE 36 Cb 0.54 -0.92 -0.03 0.00 -0.00 0.00 0.00 39.64 39.23 1cdi n ILE 36 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1cdi s LEU 37 N -5.55 -0.03 0.01 1.39 0.05 -1.09 -2.91 118.68 110.55 1cdi s LEU 37 Ca -0.06 -0.31 -0.29 0.00 0.05 0.00 0.00 54.13 53.52 1cdi s LEU 37 Cb 0.02 2.21 0.10 0.00 -2.05 0.00 0.00 46.19 46.47 1cdi s LEU 37 CO 0.10 -0.99 1.11 -0.83 -0.55 0.00 0.00 176.35 175.19 1cdi s GLY 38 N -2.82 -0.34 -0.43 -3.48 0.00 -1.04 0.01 107.32 99.21 1cdi s GLY 38 Ca 0.05 0.71 -0.14 0.00 0.00 0.00 0.00 44.72 45.34 1cdi s GLY 38 CO -0.08 0.18 0.33 0.54 0.00 0.00 0.00 173.10 174.07 1cdi s ASN 39 N -2.77 6.06 -0.34 1.64 4.22 -1.22 -0.89 114.94 121.64 1cdi s ASN 39 Ca 0.11 -1.13 -0.24 0.00 -2.14 0.00 0.00 52.86 49.47 1cdi s ASN 39 Cb 0.01 -2.15 0.01 0.00 1.28 0.00 0.00 41.25 40.40 1cdi s ASN 39 CO -0.03 -0.53 0.82 -1.10 -2.04 0.00 0.00 177.10 174.22 1cdi s GLN 40 N 1.63 3.85 4.32 3.55 -1.52 5.04 -4.71 119.66 131.82 1cdi s GLN 40 Ca 0.04 0.49 0.00 0.00 -1.95 0.00 0.00 55.36 53.94 1cdi s GLN 40 Cb -0.21 -3.78 0.00 0.00 -0.22 0.00 0.00 33.01 28.80 1cdi s GLN 40 CO 0.08 -0.81 0.00 0.41 -0.25 0.00 0.00 175.29 174.72 1cdi n GLY 41 N 4.36 0.80 0.95 3.09 0.00 -1.26 0.21 105.19 113.34 1cdi n GLY 41 Ca 0.04 0.45 0.04 0.00 0.00 0.00 0.00 46.02 46.55 1cdi n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cdi n SER 42 N 8.38 0.93 -4.34 1.61 7.64 -1.26 -5.02 113.62 121.55 1cdi n SER 42 Ca 0.00 -2.37 -0.32 0.00 1.01 0.00 0.00 58.87 57.19 1cdi n SER 42 Cb 0.00 -0.32 -0.15 0.00 -1.01 0.00 0.00 64.21 62.73 1cdi n SER 42 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1cdi s PHE 43 N -0.73 2.50 -0.29 1.43 0.40 0.57 -5.10 117.98 116.76 1cdi s PHE 43 Ca 0.24 -0.49 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 1cdi s PHE 43 Cb 0.26 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 1cdi s PHE 43 CO -0.09 -0.06 0.25 -1.17 0.70 0.00 0.00 175.22 174.85 1cdi s LEU 44 N -0.41 4.12 -0.12 -0.37 2.96 -1.26 0.87 118.68 124.47 1cdi s LEU 44 Ca 0.04 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1cdi s LEU 44 Cb -0.12 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1cdi s LEU 44 CO 0.02 -0.12 0.04 -0.89 -1.32 0.00 0.00 176.35 174.07 1cdi s THR 45 N 1.84 4.64 -0.55 3.68 2.01 -0.07 -4.83 115.64 122.36 1cdi s THR 45 Ca 0.09 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1cdi s THR 45 Cb -0.16 -3.01 0.14 0.00 0.01 0.00 0.00 72.50 69.48 1cdi s THR 45 CO 0.11 0.56 0.32 -0.54 -0.69 0.00 0.00 174.62 174.39 1cdi s LYS 46 N -0.51 2.22 0.00 4.92 1.02 -1.25 -2.50 119.74 123.65 1cdi s LYS 46 Ca 0.10 -2.44 0.00 0.00 0.02 0.00 0.00 55.97 53.64 1cdi s LYS 46 Cb -0.12 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 1cdi s LYS 46 CO 0.02 -1.12 0.00 0.41 -0.92 0.00 0.00 175.35 173.74 1cdi n GLY 47 N 3.52 -2.00 3.63 -3.33 0.00 -1.15 -4.91 105.19 100.96 1cdi n GLY 47 Ca 0.06 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1cdi n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cdi s PRO 48 N 0.00 3.77 0.00 1.61 0.04 -1.26 -4.92 135.00 134.24 1cdi s PRO 48 Ca 0.00 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1cdi s PRO 48 Cb 0.00 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1cdi s PRO 48 CO 0.00 0.35 0.00 -1.13 0.04 0.00 0.00 177.00 176.26 1cdi n SER 49 N 3.27 0.00 -0.34 6.66 3.41 -1.26 -4.64 113.62 120.71 1cdi n SER 49 Ca -0.17 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.58 1cdi n SER 49 Cb 0.53 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.82 1cdi n SER 49 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1cdi h LYS 50 N 0.00 0.69 0.00 4.33 -0.00 -1.98 -1.05 116.57 118.56 1cdi h LYS 50 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 1cdi h LYS 50 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.07 1cdi h LYS 50 CO 0.00 0.46 -0.09 -0.07 -0.00 0.00 0.00 179.45 179.74 1cdi h LEU 51 N 0.71 0.00 -0.50 7.07 3.38 -1.98 -3.41 115.31 120.58 1cdi h LEU 51 Ca 0.58 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.62 1cdi h LEU 51 Cb 0.98 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1cdi h LEU 51 CO -0.37 0.00 -0.21 -3.20 0.09 0.00 0.00 178.44 174.75 1cdi n ASN 52 N -2.84 -0.35 0.03 -0.43 5.15 -0.40 0.31 115.26 116.73 1cdi n ASN 52 Ca 0.04 0.88 0.08 0.00 -0.60 0.00 0.00 54.58 54.98 1cdi n ASN 52 Cb 0.51 -0.19 0.35 0.00 -0.53 0.00 0.00 39.78 39.91 1cdi n ASN 52 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1cdi n ASP 53 N -4.73 0.15 -0.00 1.20 9.92 -1.26 -3.85 116.55 117.98 1cdi n ASP 53 Ca 0.05 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 1cdi n ASP 53 Cb 0.19 -0.57 -0.01 0.00 -0.64 0.00 0.00 41.12 40.10 1cdi n ASP 53 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1cdi n ARG 54 N -1.66 2.87 -3.17 -1.24 1.74 0.91 -5.09 116.66 111.03 1cdi n ARG 54 Ca 0.03 -0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 1cdi n ARG 54 Cb 0.18 -0.82 -0.04 0.00 -1.02 0.00 0.00 32.46 30.76 1cdi n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cdi s ALA 55 N -1.64 3.46 0.26 7.54 0.00 0.29 -2.88 121.76 128.79 1cdi s ALA 55 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1cdi s ALA 55 Cb 0.01 -2.55 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1cdi s ALA 55 CO 0.04 0.25 0.46 -0.25 0.00 0.00 0.00 175.76 176.25 1cdi n ASP 56 N -0.73 -1.31 -3.62 0.00 8.00 0.19 -4.98 116.55 114.10 1cdi n ASP 56 Ca 0.01 -2.17 -0.07 0.00 0.71 0.00 0.00 54.79 53.28 1cdi n ASP 56 Cb 0.53 2.26 -0.01 0.00 -0.02 0.00 0.00 41.12 43.89 1cdi n ASP 56 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1cdi s SER 57 N -2.44 -0.18 -0.21 -2.24 0.15 -1.26 -0.41 113.70 107.11 1cdi s SER 57 Ca 0.14 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 1cdi s SER 57 Cb -0.02 0.72 -0.01 0.00 -1.71 0.00 0.00 66.02 65.00 1cdi s SER 57 CO 0.11 -1.37 -0.04 -0.60 1.20 0.00 0.00 173.24 172.54 1cdi s ARG 58 N -3.44 3.44 0.09 5.44 3.52 -1.26 -4.96 118.95 121.77 1cdi s ARG 58 Ca 0.12 -0.61 -0.23 0.00 -0.13 0.00 0.00 55.73 54.89 1cdi s ARG 58 Cb -0.05 -2.99 -0.14 0.00 -1.56 0.00 0.00 34.95 30.21 1cdi s ARG 58 CO 0.07 -0.10 1.71 0.00 -0.81 0.00 0.00 175.30 176.17 1cdi h ARG 59 N 7.81 0.03 -0.45 5.12 3.08 -2.01 -3.25 114.38 124.72 1cdi h ARG 59 Ca -0.38 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.81 1cdi h ARG 59 Cb 1.17 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.13 1cdi h ARG 59 CO 0.60 0.05 0.10 0.43 -1.07 0.00 0.00 179.97 180.08 1cdi n SER 60 N -5.06 0.03 -0.62 7.04 7.64 -1.26 -0.51 113.62 120.88 1cdi n SER 60 Ca -0.07 0.76 0.12 0.00 1.01 0.00 0.00 58.87 60.69 1cdi n SER 60 Cb 0.04 -0.31 0.08 0.00 -1.01 0.00 0.00 64.21 63.02 1cdi n SER 60 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cdi n LEU 61 N -4.31 2.22 0.32 -3.43 4.32 -1.22 -4.46 117.00 110.44 1cdi n LEU 61 Ca 0.13 -0.78 0.19 0.00 -0.02 0.00 0.00 56.01 55.53 1cdi n LEU 61 Cb 0.43 -0.01 1.02 0.00 -1.62 0.00 0.00 43.42 43.25 1cdi n LEU 61 CO -0.02 0.39 1.14 -0.50 -1.22 0.00 0.00 177.39 177.18 1cdi h TRP 62 N 3.03 0.00 0.00 -1.77 6.55 -0.86 0.80 115.95 123.70 1cdi h TRP 62 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1cdi h TRP 62 Cb 0.80 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.10 1cdi h TRP 62 CO 0.00 0.00 0.00 -0.25 -1.05 0.00 0.00 178.44 177.14 1cdi n ASP 63 N -2.94 0.25 -0.80 -3.49 8.00 -1.26 -2.18 116.55 114.13 1cdi n ASP 63 Ca -0.02 0.53 0.09 0.00 0.71 0.00 0.00 54.79 56.09 1cdi n ASP 63 Cb 0.18 -0.59 0.13 0.00 -0.02 0.00 0.00 41.12 40.82 1cdi n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cdi n GLN 64 N -1.74 1.88 -1.07 -1.24 6.02 0.28 -4.43 117.38 117.09 1cdi n GLN 64 Ca 0.06 -1.82 -0.02 0.00 -0.01 0.00 0.00 57.00 55.21 1cdi n GLN 64 Cb 0.35 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.24 1cdi n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cdi n GLY 65 N 1.02 0.56 3.54 1.08 0.00 -0.93 -4.76 105.19 105.70 1cdi n GLY 65 Ca 0.13 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1cdi n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cdi s ASN 66 N -2.87 6.10 -0.68 1.61 -0.87 -1.14 -0.33 114.94 116.76 1cdi s ASN 66 Ca 0.00 -0.30 0.05 0.00 -1.57 0.00 0.00 52.86 51.04 1cdi s ASN 66 Cb 0.00 -2.16 0.17 0.00 -0.02 0.00 0.00 41.25 39.24 1cdi s ASN 66 CO 0.00 -0.25 0.48 0.49 -2.57 0.00 0.00 177.10 175.26 1cdi n PHE 67 N 5.19 2.84 -0.96 2.20 3.72 0.07 -3.61 117.46 126.91 1cdi n PHE 67 Ca -0.12 -4.21 -0.30 0.00 -0.05 0.00 0.00 57.45 52.77 1cdi n PHE 67 Cb 0.50 -0.54 0.24 0.00 -0.94 0.00 0.00 39.48 38.74 1cdi n PHE 67 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1cdi s PRO 68 N -1.33 -1.32 -0.14 -1.08 0.04 -1.26 -4.40 135.00 125.51 1cdi s PRO 68 Ca 0.26 0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.31 1cdi s PRO 68 Cb -0.03 -1.57 0.06 0.00 0.04 0.00 0.00 34.50 33.00 1cdi s PRO 68 CO -0.17 -3.80 0.12 -1.17 0.04 0.00 0.00 177.00 172.03 1cdi s LEU 69 N -7.04 0.15 -0.26 -3.56 2.96 -1.20 -4.58 118.68 105.15 1cdi s LEU 69 Ca 0.70 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.28 1cdi s LEU 69 Cb -0.12 -0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.56 1cdi s LEU 69 CO 0.57 -0.31 0.02 -0.63 -1.32 0.00 0.00 176.35 174.68 1cdi s ILE 70 N 2.21 3.68 -0.29 6.68 1.01 0.45 -0.90 121.20 134.04 1cdi s ILE 70 Ca 0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 1cdi s ILE 70 Cb -0.15 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.56 1cdi s ILE 70 CO -0.08 0.24 -0.01 -0.63 0.00 0.00 0.00 174.94 174.45 1cdi s ILE 71 N 1.49 2.99 0.57 2.92 1.01 -0.77 0.54 121.20 129.94 1cdi s ILE 71 Ca 0.04 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.39 1cdi s ILE 71 Cb -0.16 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1cdi s ILE 71 CO -0.00 -0.03 0.83 -0.54 0.00 0.00 0.00 174.94 175.20 1cdi s LYS 72 N 1.28 2.70 -0.69 2.79 1.02 -1.14 -2.00 119.74 123.70 1cdi s LYS 72 Ca -0.04 -0.41 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 1cdi s LYS 72 Cb -0.19 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.74 1cdi s LYS 72 CO -0.02 -0.70 0.55 -1.71 -0.92 0.00 0.00 175.35 172.55 1cdi n ASN 73 N -2.45 -4.43 -4.77 2.83 5.15 -1.25 -4.85 115.26 105.50 1cdi n ASN 73 Ca 0.05 -0.77 -0.39 0.00 -0.60 0.00 0.00 54.58 52.87 1cdi n ASN 73 Cb 0.59 -1.44 0.01 0.00 -0.53 0.00 0.00 39.78 38.41 1cdi n ASN 73 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1cdi s LEU 74 N -4.28 4.13 -0.00 1.20 1.43 -1.07 -4.79 118.68 115.30 1cdi s LEU 74 Ca 0.06 2.72 0.06 0.00 -1.03 0.00 0.00 54.13 55.94 1cdi s LEU 74 Cb -0.01 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 1cdi s LEU 74 CO 0.81 -1.04 -0.17 -0.54 0.23 0.00 0.00 176.35 175.64 1cdi s LYS 75 N -2.42 2.26 0.16 1.70 -0.14 -1.26 -2.48 119.74 117.56 1cdi s LYS 75 Ca 0.60 -0.86 -0.23 0.00 -1.36 0.00 0.00 55.97 54.13 1cdi s LYS 75 Cb -0.39 -2.26 0.04 0.00 -1.68 0.00 0.00 37.83 33.54 1cdi s LYS 75 CO 0.50 0.58 1.61 0.82 -0.76 0.00 0.00 175.35 178.10 1cdi h ILE 76 N 4.15 0.30 -1.13 2.17 2.04 -1.93 0.08 117.51 123.18 1cdi h ILE 76 Ca -0.47 0.00 0.38 0.00 1.00 0.00 0.00 64.86 65.77 1cdi h ILE 76 Cb 1.15 0.30 -0.14 0.00 -0.74 0.00 0.00 36.82 37.39 1cdi h ILE 76 CO 0.49 0.00 0.69 1.05 0.00 0.00 0.00 178.15 180.38 1cdi h GLU 77 N -0.27 0.18 0.00 2.37 9.09 -1.93 -1.21 114.58 122.82 1cdi h GLU 77 Ca 0.15 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1cdi h GLU 77 Cb 0.51 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1cdi h GLU 77 CO -0.46 0.12 0.00 -0.25 0.05 0.00 0.00 179.01 178.47 1cdi n ASP 78 N -4.90 0.00 -4.06 3.06 8.00 0.01 -4.40 116.55 114.27 1cdi n ASP 78 Ca 0.34 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.44 1cdi n ASP 78 Cb 1.20 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 42.28 1cdi n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1cdi n SER 79 N -0.53 3.72 -2.90 -2.24 7.64 -0.46 -4.91 113.62 113.96 1cdi n SER 79 Ca 0.00 -2.80 -0.10 0.00 1.01 0.00 0.00 58.87 56.98 1cdi n SER 79 Cb 0.00 -1.57 -0.01 0.00 -1.01 0.00 0.00 64.21 61.62 1cdi n SER 79 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1cdi n ASP 80 N 8.26 2.06 -4.55 6.43 -0.08 -1.26 -4.96 116.55 122.45 1cdi n ASP 80 Ca 0.50 -1.68 -0.35 0.00 -1.51 0.00 0.00 54.79 51.74 1cdi n ASP 80 Cb 0.42 0.06 -0.11 0.00 2.34 0.00 0.00 41.12 43.83 1cdi n ASP 80 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1cdi s THR 81 N -1.28 4.58 0.10 5.18 2.01 -1.26 -3.20 115.64 121.77 1cdi s THR 81 Ca 0.04 -0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.02 1cdi s THR 81 Cb -0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1cdi s THR 81 CO 0.03 0.41 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.94 1cdi s TYR 82 N 0.89 2.70 -0.09 4.92 1.51 -0.71 0.26 117.35 126.83 1cdi s TYR 82 Ca 0.04 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1cdi s TYR 82 Cb -0.14 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 1cdi s TYR 82 CO 0.03 0.41 -0.04 0.42 -1.11 0.00 0.00 175.55 175.25 1cdi s ILE 83 N -1.19 0.73 -0.06 2.71 1.01 0.22 -1.70 121.20 122.93 1cdi s ILE 83 Ca 0.20 -0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.55 1cdi s ILE 83 Cb -0.11 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1cdi s ILE 83 CO 0.13 0.31 0.53 0.00 0.00 0.00 0.00 174.94 175.91 1cdi s GLU 85 N 0.11 2.44 -0.18 0.00 2.56 0.92 -0.43 118.70 124.12 1cdi s GLU 85 Ca 0.28 -0.62 -0.01 0.00 0.00 0.00 0.00 54.97 54.63 1cdi s GLU 85 Cb -0.17 -2.18 0.05 0.00 2.00 0.00 0.00 34.13 33.83 1cdi s GLU 85 CO 0.14 -0.21 -0.02 0.08 -0.56 0.00 0.00 175.26 174.68 1cdi s VAL 86 N 1.39 0.96 0.00 3.70 1.01 -0.97 0.55 120.40 127.04 1cdi s VAL 86 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1cdi s VAL 86 Cb -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1cdi s VAL 86 CO -0.10 0.01 0.00 -0.62 0.00 0.00 0.00 175.10 174.39 1cdi n GLU 87 N 4.91 0.00 -2.53 2.72 4.71 -1.21 -1.07 120.64 128.17 1cdi n GLU 87 Ca -0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 56.87 1cdi n GLU 87 Cb 0.47 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.92 1cdi n GLU 87 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1cdi n ASP 88 N 0.00 3.22 -3.52 1.62 5.75 -1.26 -5.07 116.55 117.29 1cdi n ASP 88 Ca 0.00 -3.18 -0.10 0.00 -0.01 0.00 0.00 54.79 51.51 1cdi n ASP 88 Cb 0.00 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 1cdi n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cdi s GLN 89 N -3.42 0.81 -0.00 0.11 0.00 -0.23 -5.17 119.66 111.76 1cdi s GLN 89 Ca 0.39 -0.17 0.04 0.00 -0.00 0.00 0.00 55.36 55.62 1cdi s GLN 89 Cb 0.41 0.38 -0.01 0.00 0.00 0.00 0.00 33.01 33.79 1cdi s GLN 89 CO -0.06 -0.33 -0.14 0.15 0.00 0.00 0.00 175.29 174.91 1cdi s LYS 90 N -2.56 1.10 -0.15 9.60 1.02 -1.26 -2.30 119.74 125.18 1cdi s LYS 90 Ca 0.02 -0.56 -0.04 0.00 0.02 0.00 0.00 55.97 55.42 1cdi s LYS 90 Cb -0.01 -1.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1cdi s LYS 90 CO -0.05 0.29 -0.03 -2.00 -0.92 0.00 0.00 175.35 172.63 1cdi s GLU 91 N -0.50 3.68 -0.39 1.68 2.56 0.42 -3.62 118.70 122.53 1cdi s GLU 91 Ca 0.05 -0.51 -0.03 0.00 0.00 0.00 0.00 54.97 54.47 1cdi s GLU 91 Cb -0.06 -2.92 0.10 0.00 2.00 0.00 0.00 34.13 33.25 1cdi s GLU 91 CO -0.00 0.25 0.18 -2.00 -0.56 0.00 0.00 175.26 173.13 1cdi s GLU 92 N 0.34 2.10 -0.11 4.30 2.12 -1.23 -1.63 118.70 124.59 1cdi s GLU 92 Ca -0.04 -1.71 0.03 0.00 0.36 0.00 0.00 54.97 53.61 1cdi s GLU 92 Cb -0.14 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.72 1cdi s GLU 92 CO 0.03 -1.00 -0.22 0.54 -0.54 0.00 0.00 175.26 174.08 1cdi s VAL 93 N 1.17 1.92 -0.08 3.70 0.11 -0.69 -2.24 120.40 124.29 1cdi s VAL 93 Ca 0.06 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1cdi s VAL 93 Cb -0.22 -1.68 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 1cdi s VAL 93 CO -0.03 0.53 -0.05 -1.10 -3.33 0.00 0.00 175.10 171.11 1cdi s GLN 94 N 0.53 2.88 -0.14 1.54 -0.21 -1.03 -1.74 119.66 121.48 1cdi s GLN 94 Ca -0.15 -0.52 -0.06 0.00 0.02 0.00 0.00 55.36 54.65 1cdi s GLN 94 Cb -0.17 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 1cdi s GLN 94 CO 0.05 0.63 0.05 -1.17 -2.12 0.00 0.00 175.29 172.73 1cdi s LEU 95 N -0.71 3.82 -0.32 2.90 1.98 -1.19 0.16 118.68 125.31 1cdi s LEU 95 Ca 0.11 0.15 0.03 0.00 -2.89 0.00 0.00 54.13 51.53 1cdi s LEU 95 Cb -0.11 -1.93 0.09 0.00 0.66 0.00 0.00 46.19 44.90 1cdi s LEU 95 CO 0.02 0.27 0.03 -0.76 -1.89 0.00 0.00 176.35 174.02 1cdi s LEU 96 N -0.21 4.12 -0.30 -0.68 2.01 0.28 -4.09 118.68 119.80 1cdi s LEU 96 Ca 0.07 -1.94 -0.29 0.00 0.01 0.00 0.00 54.13 51.98 1cdi s LEU 96 Cb -0.12 -1.48 0.02 0.00 0.01 0.00 0.00 46.19 44.62 1cdi s LEU 96 CO 0.01 -0.36 1.08 -0.69 1.01 0.00 0.00 176.35 177.41 1cdi s VAL 97 N 1.06 4.52 0.21 -1.59 1.01 -1.26 -1.31 120.40 123.05 1cdi s VAL 97 Ca 0.08 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.92 1cdi s VAL 97 Cb -0.19 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1cdi s VAL 97 CO -0.10 -0.42 -0.01 -0.36 0.00 0.00 0.00 175.10 174.20 1cdi s PHE 98 N 3.60 2.75 0.06 5.22 0.08 -1.04 -3.91 117.98 124.74 1cdi s PHE 98 Ca 0.46 -0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1cdi s PHE 98 Cb -0.13 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 1cdi s PHE 98 CO 0.14 0.56 -0.05 0.20 -0.10 0.00 0.00 175.22 175.97 1cdi s GLY 99 N -3.24 0.56 -0.30 4.36 0.00 -0.89 0.12 107.32 107.93 1cdi s GLY 99 Ca 0.29 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.86 1cdi s GLY 99 CO 0.19 -1.29 0.52 -2.27 0.00 0.00 0.00 173.10 170.24 1cdi s LEU 100 N -2.78 -1.26 0.75 0.66 0.20 -1.26 -1.91 118.68 113.08 1cdi s LEU 100 Ca 0.06 -0.14 -0.11 0.00 0.69 0.00 0.00 54.13 54.63 1cdi s LEU 100 Cb 0.05 1.64 0.05 0.00 -0.43 0.00 0.00 46.19 47.49 1cdi s LEU 100 CO -0.07 -0.31 1.12 0.42 -0.29 0.00 0.00 176.35 177.21 1cdi s THR 101 N 2.62 2.73 -0.45 3.68 -4.23 -0.56 -4.89 115.64 114.54 1cdi s THR 101 Ca 0.10 0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.86 1cdi s THR 101 Cb -0.11 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 70.77 1cdi s THR 101 CO -0.26 -0.28 0.59 0.00 -0.54 0.00 0.00 174.62 174.13 1cdi n ALA 102 N -3.11 2.80 0.00 3.99 0.00 -1.26 -2.22 120.51 120.71 1cdi n ALA 102 Ca 0.07 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1cdi n ALA 102 Cb 0.59 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1cdi n ALA 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cdi n ASN 103 N 1.19 0.00 0.00 0.00 3.02 -0.80 -1.96 115.26 116.71 1cdi n ASN 103 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1cdi n ASN 103 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1cdi n ASN 103 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1cdi n SER 104 N -0.41 0.00 0.00 6.41 3.41 -1.26 -4.99 113.62 116.79 1cdi n SER 104 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cdi n SER 104 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cdi n SER 104 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1cdi n ASP 105 N -0.36 0.00 -0.01 4.04 -0.08 -0.83 -5.02 116.55 114.29 1cdi n ASP 105 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1cdi n ASP 105 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1cdi n ASP 105 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1cdi n THR 106 N 3.14 0.13 -2.64 5.18 -2.24 -1.26 -4.86 114.28 111.73 1cdi n THR 106 Ca 0.00 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 1cdi n THR 106 Cb 0.00 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 1cdi n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cdi n HIS 107 N -2.22 3.81 -1.76 4.78 1.44 -1.26 0.12 115.22 120.12 1cdi n HIS 107 Ca -0.03 -3.05 0.00 0.00 -2.01 0.00 0.00 57.72 52.63 1cdi n HIS 107 Cb 0.56 -2.01 0.00 0.00 0.12 0.00 0.00 29.99 28.66 1cdi n HIS 107 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1cdi n LEU 108 N 4.45 0.00 -4.09 2.39 4.77 -0.56 -5.04 117.00 118.91 1cdi n LEU 108 Ca 0.38 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.27 1cdi n LEU 108 Cb 0.39 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 1cdi n LEU 108 CO 0.72 -0.43 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.23 1cdi s LEU 109 N 0.00 2.43 0.72 2.23 1.43 -1.26 -3.33 118.68 120.90 1cdi s LEU 109 Ca 0.00 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.06 1cdi s LEU 109 Cb 0.00 0.07 0.01 0.00 0.03 0.00 0.00 46.19 46.29 1cdi s LEU 109 CO 0.00 -0.47 1.00 1.67 0.23 0.00 0.00 176.35 178.78 1cdi n GLN 110 N 0.43 0.55 0.00 1.70 7.27 0.18 -1.88 117.38 125.63 1cdi n GLN 110 Ca -0.16 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1cdi n GLN 110 Cb 0.59 -2.25 0.00 0.00 2.41 0.00 0.00 30.24 30.99 1cdi n GLN 110 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1cdi n GLY 111 N 1.06 1.94 3.76 1.69 0.00 -0.32 -4.95 105.19 108.37 1cdi n GLY 111 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1cdi n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cdi s GLN 112 N 0.00 3.40 0.69 1.61 -0.21 -0.79 -4.30 119.66 120.06 1cdi s GLN 112 Ca 0.00 2.00 -0.07 0.00 0.02 0.00 0.00 55.36 57.30 1cdi s GLN 112 Cb 0.00 -2.29 0.05 0.00 1.00 0.00 0.00 33.01 31.76 1cdi s GLN 112 CO 0.00 -0.91 1.02 -1.12 -2.12 0.00 0.00 175.29 172.15 1cdi s SER 113 N -1.19 4.99 -0.09 5.90 0.01 -1.17 -1.79 113.70 120.36 1cdi s SER 113 Ca 0.69 0.60 -0.07 0.00 1.31 0.00 0.00 55.95 58.48 1cdi s SER 113 Cb -0.34 -1.31 0.03 0.00 0.21 0.00 0.00 66.02 64.61 1cdi s SER 113 CO 0.41 -1.50 0.23 -0.22 0.41 0.00 0.00 173.24 172.57 1cdi s LEU 114 N -5.24 0.84 -0.14 2.44 0.20 0.94 -4.92 118.68 112.80 1cdi s LEU 114 Ca 0.59 0.48 -0.01 0.00 0.69 0.00 0.00 54.13 55.88 1cdi s LEU 114 Cb -0.11 0.75 0.04 0.00 -0.43 0.00 0.00 46.19 46.44 1cdi s LEU 114 CO 0.46 -0.11 -0.03 0.42 -0.29 0.00 0.00 176.35 176.79 1cdi s THR 115 N 0.60 0.84 -0.12 3.68 -4.23 -1.26 0.28 115.64 115.42 1cdi s THR 115 Ca -0.04 -0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 60.02 1cdi s THR 115 Cb -0.05 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.71 1cdi s THR 115 CO -0.03 0.14 0.08 -0.76 -0.54 0.00 0.00 174.62 173.51 1cdi s LEU 116 N 1.76 4.02 -0.01 4.79 1.43 -1.07 -1.91 118.68 127.68 1cdi s LEU 116 Ca 0.02 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1cdi s LEU 116 Cb -0.14 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1cdi s LEU 116 CO -0.07 0.35 -0.08 -0.89 0.23 0.00 0.00 176.35 175.88 1cdi s THR 117 N -0.66 0.69 -0.42 5.49 2.01 -0.94 -1.66 115.64 120.15 1cdi s THR 117 Ca 0.12 -0.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 1cdi s THR 117 Cb -0.12 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.81 1cdi s THR 117 CO 0.02 0.21 0.71 -0.22 -0.69 0.00 0.00 174.62 174.66 1cdi s LEU 118 N -0.01 4.31 0.11 4.42 1.98 -0.85 -1.50 118.68 127.14 1cdi s LEU 118 Ca 0.00 -0.08 -0.25 0.00 -2.89 0.00 0.00 54.13 50.92 1cdi s LEU 118 Cb -0.06 -2.87 -0.07 0.00 0.66 0.00 0.00 46.19 43.86 1cdi s LEU 118 CO -0.00 -0.79 0.75 -1.61 -1.89 0.00 0.00 176.35 172.81 1cdi s GLU 119 N 3.02 4.51 0.15 1.98 2.02 -0.80 -4.92 118.70 124.65 1cdi s GLU 119 Ca 0.27 1.08 -0.24 0.00 0.02 0.00 0.00 54.97 56.09 1cdi s GLU 119 Cb -0.13 -3.30 0.06 0.00 0.10 0.00 0.00 34.13 30.86 1cdi s GLU 119 CO 0.19 0.46 0.81 -1.54 0.02 0.00 0.00 175.26 175.20 1cdi s SER 120 N -0.68 -0.32 0.52 -0.19 1.04 -1.26 -2.10 113.70 110.70 1cdi s SER 120 Ca 0.36 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.38 1cdi s SER 120 Cb -0.22 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.38 1cdi s SER 120 CO 0.24 -0.96 0.96 -2.16 0.98 0.00 0.00 173.24 172.30 1cdi s PRO 121 N -3.50 3.84 0.33 4.02 0.04 -1.25 -4.96 135.00 133.51 1cdi s PRO 121 Ca 0.08 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 1cdi s PRO 121 Cb -0.02 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 1cdi s PRO 121 CO -0.02 -0.30 0.93 -2.14 0.04 0.00 0.00 177.00 175.51 1cdi s PRO 122 N -4.29 4.52 0.00 0.56 0.02 -1.26 -3.49 135.00 131.07 1cdi s PRO 122 Ca 0.57 1.27 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1cdi s PRO 122 Cb -0.10 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1cdi s PRO 122 CO 0.36 0.25 0.00 0.41 -0.33 0.00 0.00 177.00 177.70 1cdi n GLY 123 N 0.43 0.51 3.66 0.52 0.00 -1.26 -5.05 105.19 104.01 1cdi n GLY 123 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1cdi n GLY 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cdi s SER 124 N -2.01 6.92 -0.65 1.61 1.04 -1.23 -4.98 113.70 114.40 1cdi s SER 124 Ca 0.00 1.13 0.04 0.00 0.48 0.00 0.00 55.95 57.60 1cdi s SER 124 Cb 0.00 -2.45 0.33 0.00 0.10 0.00 0.00 66.02 64.01 1cdi s SER 124 CO 0.00 -0.43 1.08 -1.20 0.98 0.00 0.00 173.24 173.66 1cdi n SER 125 N 5.46 4.91 -4.80 7.02 7.64 -1.26 -5.03 113.62 127.56 1cdi n SER 125 Ca 0.05 -3.68 -0.32 0.00 1.01 0.00 0.00 58.87 55.93 1cdi n SER 125 Cb 0.48 -0.66 0.05 0.00 -1.01 0.00 0.00 64.21 63.07 1cdi n SER 125 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1cdi s PRO 126 N -3.56 2.92 -0.15 1.43 0.02 -1.26 -4.85 135.00 129.55 1cdi s PRO 126 Ca 0.47 1.10 -0.01 0.00 0.02 0.00 0.00 61.00 62.58 1cdi s PRO 126 Cb 0.26 -1.98 0.04 0.00 0.02 0.00 0.00 34.50 32.84 1cdi s PRO 126 CO -0.13 -1.12 -0.04 -1.54 -0.33 0.00 0.00 177.00 173.84 1cdi s SER 127 N -3.33 2.62 0.03 2.53 1.04 -0.85 -4.94 113.70 110.81 1cdi s SER 127 Ca 0.61 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.46 1cdi s SER 127 Cb -0.16 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 1cdi s SER 127 CO 0.49 -0.19 0.16 -0.69 0.98 0.00 0.00 173.24 173.99 1cdi s VAL 128 N 1.70 5.16 -0.37 5.02 1.01 -1.13 -0.42 120.40 131.36 1cdi s VAL 128 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1cdi s VAL 128 Cb -0.15 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 32.93 1cdi s VAL 128 CO -0.08 0.23 0.28 0.00 0.00 0.00 0.00 175.10 175.53 1cdi s GLN 129 N -2.20 0.63 -0.04 2.72 -2.07 -1.15 -2.43 119.66 115.13 1cdi s GLN 129 Ca 0.30 -1.37 -0.20 0.00 -1.82 0.00 0.00 55.36 52.27 1cdi s GLN 129 Cb -0.13 -1.18 -0.05 0.00 -1.09 0.00 0.00 33.01 30.57 1cdi s GLN 129 CO 0.22 -1.24 0.56 0.00 -1.32 0.00 0.00 175.29 173.51 1cdi s ARG 131 N 0.07 3.23 0.44 0.00 3.00 0.43 -1.58 118.95 124.55 1cdi s ARG 131 Ca 0.30 -0.90 0.08 0.00 0.00 0.00 0.00 55.73 55.20 1cdi s ARG 131 Cb -0.17 -2.78 0.00 0.00 0.00 0.00 0.00 34.95 32.00 1cdi s ARG 131 CO 0.15 0.33 0.46 -1.54 0.00 0.00 0.00 175.30 174.71 1cdi s SER 132 N -3.99 5.16 0.60 0.23 1.04 -0.24 -2.60 113.70 113.90 1cdi s SER 132 Ca 0.36 -0.73 0.29 0.00 0.48 0.00 0.00 55.95 56.36 1cdi s SER 132 Cb -0.09 -0.42 1.54 0.00 0.10 0.00 0.00 66.02 67.16 1cdi s SER 132 CO 0.28 -0.78 1.94 -0.65 0.98 0.00 0.00 173.24 175.01 1cdi h PRO 133 N 0.83 0.00 -2.06 4.02 0.11 -1.83 -2.32 132.00 130.75 1cdi h PRO 133 Ca -0.40 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.15 1cdi h PRO 133 Cb 1.27 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.99 1cdi h PRO 133 CO 0.53 0.00 -0.96 0.54 -0.21 0.00 0.00 178.00 177.90 1cdi n ARG 134 N -3.58 1.29 -1.76 1.05 5.12 -1.26 -5.01 116.66 112.50 1cdi n ARG 134 Ca 0.05 -3.67 -0.03 0.00 -1.93 0.00 0.00 57.85 52.26 1cdi n ARG 134 Cb 0.54 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 1cdi n ARG 134 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cdi n GLY 135 N 1.16 -0.04 3.13 -0.13 0.00 -0.87 -5.00 105.19 103.45 1cdi n GLY 135 Ca 0.24 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1cdi n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cdi s LYS 136 N -1.00 1.57 0.95 1.61 -2.85 -1.26 -4.83 119.74 113.93 1cdi s LYS 136 Ca 0.02 -0.59 -0.13 0.00 -1.00 0.00 0.00 55.97 54.28 1cdi s LYS 136 Cb -0.00 -1.42 0.16 0.00 -2.06 0.00 0.00 37.83 34.50 1cdi s LYS 136 CO 0.09 0.28 1.13 1.21 0.10 0.00 0.00 175.35 178.16 1cdi s ASN 137 N -0.12 3.18 -0.30 0.03 3.84 -1.26 -1.08 114.94 119.24 1cdi s ASN 137 Ca 0.00 0.96 -0.05 0.00 0.21 0.00 0.00 52.86 53.98 1cdi s ASN 137 Cb -0.09 -1.52 0.19 0.00 -0.55 0.00 0.00 41.25 39.28 1cdi s ASN 137 CO 0.01 -2.76 0.87 -0.63 -2.79 0.00 0.00 177.10 171.81 1cdi s ILE 138 N -3.23 -0.54 0.46 -5.21 1.01 -0.61 -4.87 121.20 108.21 1cdi s ILE 138 Ca 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 61.13 1cdi s ILE 138 Cb -0.15 -0.59 -0.09 0.00 0.01 0.00 0.00 42.46 41.65 1cdi s ILE 138 CO 0.54 0.00 0.92 -1.58 0.00 0.00 0.00 174.94 174.82 1cdi s GLN 139 N 2.91 4.00 0.09 2.79 2.00 -1.26 -0.35 119.66 129.84 1cdi s GLN 139 Ca 0.19 0.89 -0.26 0.00 -2.00 0.00 0.00 55.36 54.18 1cdi s GLN 139 Cb -0.06 -2.22 0.08 0.00 0.80 0.00 0.00 33.01 31.61 1cdi s GLN 139 CO -0.23 -0.13 0.91 0.20 -0.50 0.00 0.00 175.29 175.54 1cdi s GLY 140 N -2.77 -0.34 0.00 2.59 0.00 -1.02 -4.88 107.32 100.90 1cdi s GLY 140 Ca 0.58 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.80 1cdi s GLY 140 CO 0.25 0.15 0.00 0.61 0.00 0.00 0.00 173.10 174.11 1cdi n GLY 141 N -0.37 0.37 0.77 0.20 0.00 -1.26 -2.84 105.19 102.05 1cdi n GLY 141 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1cdi n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cdi n LYS 142 N 0.00 2.02 -3.73 1.61 4.81 -1.26 -4.54 118.16 117.07 1cdi n LYS 142 Ca 0.00 -1.56 -0.12 0.00 -0.87 0.00 0.00 58.31 55.76 1cdi n LYS 142 Cb 0.00 -1.47 -0.13 0.00 0.02 0.00 0.00 35.03 33.45 1cdi n LYS 142 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1cdi s THR 143 N -2.05 -0.05 0.21 3.15 2.01 -1.26 -2.00 115.64 115.63 1cdi s THR 143 Ca 0.30 0.15 0.10 0.00 0.31 0.00 0.00 61.69 62.55 1cdi s THR 143 Cb 0.20 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 1cdi s THR 143 CO 0.34 0.06 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.46 1cdi s LEU 144 N 1.30 2.90 -0.16 4.42 1.02 -0.66 -4.81 118.68 122.68 1cdi s LEU 144 Ca -0.09 -0.67 -0.11 0.00 0.02 0.00 0.00 54.13 53.28 1cdi s LEU 144 Cb -0.10 -1.55 0.05 0.00 0.02 0.00 0.00 46.19 44.61 1cdi s LEU 144 CO -0.08 0.08 0.41 -0.55 0.02 0.00 0.00 176.35 176.23 1cdi s SER 145 N -3.01 -0.49 -0.38 2.29 0.15 -1.26 -2.59 113.70 108.42 1cdi s SER 145 Ca 0.26 0.87 -0.13 0.00 0.70 0.00 0.00 55.95 57.65 1cdi s SER 145 Cb -0.08 0.80 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1cdi s SER 145 CO 0.15 -0.17 0.25 -0.69 1.20 0.00 0.00 173.24 173.98 1cdi s VAL 146 N 0.94 5.04 0.15 4.45 1.01 0.78 -4.93 120.40 127.85 1cdi s VAL 146 Ca -0.06 -0.61 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1cdi s VAL 146 Cb -0.06 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1cdi s VAL 146 CO -0.08 -0.20 1.53 0.77 0.00 0.00 0.00 175.10 177.12 1cdi h SER 147 N 8.53 -2.08 -2.42 3.32 4.64 -1.90 0.27 113.55 123.92 1cdi h SER 147 Ca -0.28 0.31 0.10 0.00 -0.47 0.00 0.00 61.79 61.45 1cdi h SER 147 Cb 1.13 0.91 -0.25 0.00 -0.31 0.00 0.00 62.40 63.87 1cdi h SER 147 CO 0.69 -0.25 0.28 0.00 -0.87 0.00 0.00 176.83 176.67 1cdi s GLN 148 N -5.47 0.44 0.22 4.77 1.03 -1.25 -3.04 119.66 116.35 1cdi s GLN 148 Ca -0.12 0.80 0.01 0.00 0.04 0.00 0.00 55.36 56.09 1cdi s GLN 148 Cb 0.10 0.16 -0.04 0.00 0.03 0.00 0.00 33.01 33.27 1cdi s GLN 148 CO 0.61 -0.10 0.39 -0.48 -2.54 0.00 0.00 175.29 173.17 1cdi s LEU 149 N 1.59 4.23 -0.09 2.60 0.05 -0.74 -4.87 118.68 121.45 1cdi s LEU 149 Ca -0.08 0.29 -0.03 0.00 0.05 0.00 0.00 54.13 54.36 1cdi s LEU 149 Cb -0.04 -3.08 0.05 0.00 -2.05 0.00 0.00 46.19 41.07 1cdi s LEU 149 CO -0.16 -0.07 0.13 -1.61 -0.55 0.00 0.00 176.35 174.09 1cdi s GLU 150 N -3.61 0.02 0.00 1.48 0.41 -1.26 -1.17 118.70 114.57 1cdi s GLU 150 Ca 0.37 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 55.34 1cdi s GLU 150 Cb -0.10 -0.60 0.00 0.00 -1.78 0.00 0.00 34.13 31.64 1cdi s GLU 150 CO 0.30 -0.39 0.00 1.28 -0.49 0.00 0.00 175.26 175.96 1cdi n LEU 151 N 5.31 0.00 0.04 1.80 4.32 -1.26 -3.35 117.00 123.86 1cdi n LEU 151 Ca -0.04 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 55.96 1cdi n LEU 151 Cb 0.50 0.00 0.37 0.00 -1.62 0.00 0.00 43.42 42.67 1cdi n LEU 151 CO 0.06 0.00 0.99 0.06 -1.22 0.00 0.00 177.39 177.28 1cdi h GLN 152 N 0.00 0.44 -1.45 3.23 -0.00 -1.97 -2.98 115.11 112.38 1cdi h GLN 152 Ca 0.00 -0.07 -0.28 0.00 -0.00 0.00 0.00 58.65 58.30 1cdi h GLN 152 Cb 0.00 -0.08 -0.13 0.00 -0.00 0.00 0.00 27.48 27.28 1cdi h GLN 152 CO 0.00 0.43 0.36 -0.40 -0.00 0.00 0.00 178.83 179.23 1cdi n ASP 153 N -4.34 5.75 -4.80 0.06 5.68 -1.21 -4.72 116.55 112.96 1cdi n ASP 153 Ca 0.01 -2.95 -0.36 0.00 -0.50 0.00 0.00 54.79 50.99 1cdi n ASP 153 Cb 0.19 -0.98 -0.06 0.00 -1.14 0.00 0.00 41.12 39.13 1cdi n ASP 153 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1cdi s SER 154 N 0.26 7.17 0.00 -1.12 0.01 -1.13 -4.68 113.70 114.22 1cdi s SER 154 Ca 0.28 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1cdi s SER 154 Cb 0.22 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1cdi s SER 154 CO 0.01 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1cdi n GLY 155 N 0.67 2.52 3.64 3.44 0.00 -0.07 -4.75 105.19 110.64 1cdi n GLY 155 Ca -0.01 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 1cdi n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cdi s THR 156 N -1.74 4.44 0.65 2.61 2.01 -1.26 0.70 115.64 123.05 1cdi s THR 156 Ca 0.00 1.65 -0.08 0.00 0.31 0.00 0.00 61.69 63.57 1cdi s THR 156 Cb 0.00 -4.39 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1cdi s THR 156 CO 0.00 -0.50 1.00 0.26 -0.69 0.00 0.00 174.62 174.69 1cdi s TRP 157 N 3.78 3.26 -0.06 4.92 0.52 0.31 -4.48 118.94 127.19 1cdi s TRP 157 Ca 0.47 0.80 -0.01 0.00 0.02 0.00 0.00 56.10 57.38 1cdi s TRP 157 Cb -0.13 -2.92 0.03 0.00 -1.15 0.00 0.00 33.47 29.30 1cdi s TRP 157 CO 0.17 -1.03 0.02 0.99 0.02 0.00 0.00 176.95 177.12 1cdi s THR 158 N -3.17 0.22 0.25 2.01 2.01 -1.07 -2.98 115.64 112.90 1cdi s THR 158 Ca 0.56 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.85 1cdi s THR 158 Cb -0.11 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1cdi s THR 158 CO 0.48 0.23 0.12 0.00 -0.69 0.00 0.00 174.62 174.75 1cdi s THR 160 N -2.15 -0.47 -0.87 0.00 2.01 -1.19 -1.14 115.64 111.83 1cdi s THR 160 Ca 0.32 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.65 1cdi s THR 160 Cb -0.08 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1cdi s THR 160 CO 0.23 -0.41 1.60 -0.69 -0.69 0.00 0.00 174.62 174.66 1cdi s VAL 161 N 2.41 3.68 -0.39 3.82 1.01 0.28 -2.91 120.40 128.29 1cdi s VAL 161 Ca 0.09 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 1cdi s VAL 161 Cb -0.13 -4.60 0.01 0.00 0.00 0.00 0.00 36.38 31.66 1cdi s VAL 161 CO -0.32 -1.52 0.53 -0.22 0.00 0.00 0.00 175.10 173.57 1cdi s LEU 162 N 7.04 4.51 0.00 3.92 1.98 0.44 -1.40 118.68 135.17 1cdi s LEU 162 Ca 0.53 -0.27 0.00 0.00 -2.89 0.00 0.00 54.13 51.50 1cdi s LEU 162 Cb -0.05 -2.58 0.00 0.00 0.66 0.00 0.00 46.19 44.22 1cdi s LEU 162 CO 0.02 -0.59 0.00 1.67 -1.89 0.00 0.00 176.35 175.56 1cdi n GLN 163 N 5.87 0.00 -3.67 1.98 7.27 -1.21 -2.01 117.38 125.60 1cdi n GLN 163 Ca -0.04 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.64 1cdi n GLN 163 Cb 0.48 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.01 1cdi n GLN 163 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1cdi s ASN 164 N 0.75 5.50 0.00 1.69 -0.87 -1.26 -4.82 114.94 115.93 1cdi s ASN 164 Ca 0.00 -0.90 0.00 0.00 -1.57 0.00 0.00 52.86 50.39 1cdi s ASN 164 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 41.25 39.27 1cdi s ASN 164 CO 0.00 -0.30 0.00 1.67 -2.57 0.00 0.00 177.10 175.90 1cdi n GLN 165 N 4.93 0.00 -1.66 -0.60 7.27 -1.26 -4.49 117.38 121.57 1cdi n GLN 165 Ca -0.13 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.49 1cdi n GLN 165 Cb 0.47 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.09 1cdi n GLN 165 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1cdi n LYS 166 N 0.00 1.96 -3.94 3.69 4.01 -1.26 -4.96 118.16 117.66 1cdi n LYS 166 Ca 0.00 0.70 -0.08 0.00 -0.51 0.00 0.00 58.31 58.42 1cdi n LYS 166 Cb 0.00 -2.35 -0.08 0.00 -0.51 0.00 0.00 35.03 32.08 1cdi n LYS 166 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1cdi s LYS 167 N -0.25 0.76 -0.08 1.97 -2.85 -1.26 -3.30 119.74 114.72 1cdi s LYS 167 Ca 0.70 -1.04 0.02 0.00 -1.00 0.00 0.00 55.97 54.65 1cdi s LYS 167 Cb -0.68 0.29 0.01 0.00 -2.06 0.00 0.00 37.83 35.40 1cdi s LYS 167 CO 0.49 -0.21 -0.14 0.08 0.10 0.00 0.00 175.35 175.66 1cdi s VAL 168 N -3.84 1.33 -0.02 1.79 1.01 -0.49 -4.98 120.40 115.19 1cdi s VAL 168 Ca 0.05 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1cdi s VAL 168 Cb 0.06 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1cdi s VAL 168 CO -0.10 0.40 -0.08 -0.70 0.00 0.00 0.00 175.10 174.62 1cdi s GLU 169 N 0.75 2.58 0.12 2.72 -6.30 -1.26 0.99 118.70 118.29 1cdi s GLU 169 Ca -0.12 -0.69 0.08 0.00 -2.50 0.00 0.00 54.97 51.73 1cdi s GLU 169 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 34.13 31.44 1cdi s GLU 169 CO 0.03 0.62 -0.19 -0.06 0.02 0.00 0.00 175.26 175.68 1cdi s PHE 170 N -0.93 1.70 -0.18 5.30 0.40 -0.30 -4.97 117.98 119.01 1cdi s PHE 170 Ca 0.15 -0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1cdi s PHE 170 Cb -0.11 -0.90 0.05 0.00 0.51 0.00 0.00 43.02 42.57 1cdi s PHE 170 CO 0.05 0.22 0.02 0.15 0.70 0.00 0.00 175.22 176.36 1cdi s LYS 171 N -2.23 0.77 -0.04 0.44 1.02 -1.26 0.34 119.74 118.78 1cdi s LYS 171 Ca 0.09 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1cdi s LYS 171 Cb -0.08 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1cdi s LYS 171 CO 0.05 -0.58 -0.08 0.42 -0.92 0.00 0.00 175.35 174.24 1cdi s ILE 172 N 1.83 3.60 -0.07 2.17 1.09 -1.16 -4.94 121.20 123.72 1cdi s ILE 172 Ca -0.00 -0.63 -0.13 0.00 -1.10 0.00 0.00 60.65 58.78 1cdi s ILE 172 Cb -0.16 -2.50 -0.05 0.00 -1.06 0.00 0.00 42.46 38.68 1cdi s ILE 172 CO -0.07 0.51 0.33 -1.81 -0.10 0.00 0.00 174.94 173.80 1cdi s ASP 173 N -1.05 6.62 -0.03 3.58 1.11 -1.26 0.11 116.67 125.75 1cdi s ASP 173 Ca 0.14 0.74 0.07 0.00 0.18 0.00 0.00 52.55 53.68 1cdi s ASP 173 Cb -0.11 -2.20 -0.02 0.00 1.07 0.00 0.00 42.92 41.66 1cdi s ASP 173 CO 0.04 0.25 -0.23 -0.63 1.18 0.00 0.00 175.17 175.78 1cdi s ILE 174 N -0.52 2.30 -0.20 0.77 -1.09 0.22 -4.83 121.20 117.86 1cdi s ILE 174 Ca 0.20 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.59 1cdi s ILE 174 Cb -0.15 -1.83 -0.00 0.00 -1.58 0.00 0.00 42.46 38.90 1cdi s ILE 174 CO 0.09 0.58 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.60 1cdi s VAL 175 N -0.59 3.03 0.04 2.92 1.01 0.12 -0.89 120.40 126.03 1cdi s VAL 175 Ca 0.09 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1cdi s VAL 175 Cb -0.10 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1cdi s VAL 175 CO -0.00 0.47 -0.26 0.54 0.00 0.00 0.00 175.10 175.85 1cdi s VAL 176 N 1.24 2.06 0.00 2.92 0.11 -1.26 -1.50 120.40 123.97 1cdi s VAL 176 Ca 0.03 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.74 1cdi s VAL 176 Cb -0.14 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.95 1cdi s VAL 176 CO -0.04 0.36 0.00 0.18 -3.33 0.00 0.00 175.10 172.28 1cdi n LEU 177 N 1.85 0.00 0.00 2.54 4.77 -1.21 -4.87 117.00 120.09 1cdi n LEU 177 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1cdi n LEU 177 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1cdi n LEU 177 CO 0.23 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.29