#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddl s GLU 2 N 0.00 4.24 0.40 2.12 2.12 -1.26 -5.09 118.70 121.23 1ddl s GLU 2 Ca 0.00 0.05 -0.22 0.00 0.36 0.00 0.00 54.97 55.16 1ddl s GLU 2 Cb 0.00 -3.42 -0.11 0.00 0.26 0.00 0.00 34.13 30.86 1ddl s GLU 2 CO 0.00 0.25 0.93 -0.65 -0.54 0.00 0.00 175.26 175.25 1ddl s GLN 3 N 0.45 4.29 -1.00 4.30 -1.52 -1.26 -4.99 119.66 119.93 1ddl s GLN 3 Ca 0.15 1.13 -0.01 0.00 -1.95 0.00 0.00 55.36 54.68 1ddl s GLN 3 Cb -0.13 -2.32 0.32 0.00 -0.22 0.00 0.00 33.01 30.66 1ddl s GLN 3 CO 0.03 0.05 1.90 -3.47 -0.25 0.00 0.00 175.29 173.54 1ddl n ASP 4 N -0.37 7.42 -3.54 5.90 2.03 -1.26 -4.93 116.55 121.80 1ddl n ASP 4 Ca 0.06 -3.70 -0.15 0.00 0.52 0.00 0.00 54.79 51.52 1ddl n ASP 4 Cb 0.53 -1.16 -0.06 0.00 -0.72 0.00 0.00 41.12 39.72 1ddl n ASP 4 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1ddl s LYS 5 N -4.17 0.89 -0.06 -0.67 2.20 -1.26 -5.15 119.74 111.52 1ddl s LYS 5 Ca 0.42 0.19 0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1ddl s LYS 5 Cb 0.24 0.42 -0.01 0.00 -1.51 0.00 0.00 37.83 36.97 1ddl s LYS 5 CO -0.19 -0.28 -0.24 0.42 -0.36 0.00 0.00 175.35 174.70 1ddl s ILE 6 N -1.25 2.16 -0.21 5.43 1.01 -1.26 -5.11 121.20 121.97 1ddl s ILE 6 Ca -0.07 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 1ddl s ILE 6 Cb -0.00 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 1ddl s ILE 6 CO 0.06 0.57 0.11 -0.76 0.00 0.00 0.00 174.94 174.92 1ddl s LEU 7 N -0.22 4.01 -0.07 2.97 1.02 -1.26 -5.09 118.68 120.05 1ddl s LEU 7 Ca -0.02 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.28 1ddl s LEU 7 Cb -0.13 -2.04 -0.02 0.00 0.02 0.00 0.00 46.19 44.01 1ddl s LEU 7 CO 0.03 0.14 -0.13 0.00 0.02 0.00 0.00 176.35 176.41 1ddl s ALA 8 N 0.58 2.69 -0.18 4.21 0.00 -1.26 -5.11 121.76 122.70 1ddl s ALA 8 Ca 0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1ddl s ALA 8 Cb -0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 1ddl s ALA 8 CO 0.01 0.48 -0.05 -1.01 0.00 0.00 0.00 175.76 175.19 1ddl s HIS 9 N -0.46 2.97 -0.26 0.00 3.76 -1.26 -5.07 115.29 114.97 1ddl s HIS 9 Ca 0.06 -0.57 -0.24 0.00 -0.15 0.00 0.00 55.06 54.16 1ddl s HIS 9 Cb -0.12 -2.01 -0.00 0.00 1.11 0.00 0.00 32.58 31.56 1ddl s HIS 9 CO 0.02 -0.25 0.81 -1.14 -0.85 0.00 0.00 174.74 173.32 1ddl s GLN 10 N 0.81 4.13 0.11 1.40 0.74 -1.26 -4.99 119.66 120.60 1ddl s GLN 10 Ca -0.01 0.84 -0.35 0.00 0.05 0.00 0.00 55.36 55.88 1ddl s GLN 10 Cb -0.15 -3.67 -0.16 0.00 1.10 0.00 0.00 33.01 30.14 1ddl s GLN 10 CO 0.02 -0.55 1.30 0.00 -0.55 0.00 0.00 175.29 175.50 1ddl n ALA 11 N 6.05 -0.81 -2.48 1.58 0.00 -1.26 -4.97 120.51 118.61 1ddl n ALA 11 Ca 0.05 0.50 -0.26 0.00 0.00 0.00 0.00 53.44 53.73 1ddl n ALA 11 Cb 0.48 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 1ddl n ALA 11 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ddl s SER 12 N 0.36 4.36 0.25 0.00 1.04 -1.26 -5.15 113.70 113.30 1ddl s SER 12 Ca 0.81 -1.19 -0.12 0.00 0.48 0.00 0.00 55.95 55.93 1ddl s SER 12 Cb -0.91 -0.27 -0.00 0.00 0.10 0.00 0.00 66.02 64.93 1ddl s SER 12 CO 0.48 -0.63 0.47 -1.48 0.98 0.00 0.00 173.24 173.06 1ddl s LEU 13 N -3.92 0.39 -0.65 2.42 2.34 -1.26 -5.11 118.68 112.89 1ddl s LEU 13 Ca 0.36 -0.99 -0.24 0.00 0.06 0.00 0.00 54.13 53.32 1ddl s LEU 13 Cb 0.04 1.71 0.05 0.00 -0.56 0.00 0.00 46.19 47.43 1ddl s LEU 13 CO 0.20 -1.15 1.04 0.21 -1.06 0.00 0.00 176.35 175.59 1ddl s ASN 14 N -3.04 6.22 -0.16 1.48 2.47 -1.26 -4.95 114.94 115.71 1ddl s ASN 14 Ca 0.24 -0.66 -0.05 0.00 0.42 0.00 0.00 52.86 52.81 1ddl s ASN 14 Cb -0.00 -2.46 0.08 0.00 -1.45 0.00 0.00 41.25 37.42 1ddl s ASN 14 CO 0.10 -1.48 0.31 0.28 -3.72 0.00 0.00 177.10 172.59 1ddl s THR 15 N 4.44 -0.48 0.28 -5.21 -1.32 -1.26 -5.17 115.64 106.92 1ddl s THR 15 Ca 0.28 0.19 0.10 0.00 -1.21 0.00 0.00 61.69 61.05 1ddl s THR 15 Cb -0.13 -0.55 -0.05 0.00 -1.51 0.00 0.00 72.50 70.25 1ddl s THR 15 CO 0.14 0.06 -0.16 -0.54 -2.21 0.00 0.00 174.62 171.91 1ddl s LYS 16 N 2.47 1.64 0.87 7.08 3.01 -1.26 -5.14 119.74 128.41 1ddl s LYS 16 Ca 0.02 -1.78 -0.12 0.00 -1.01 0.00 0.00 55.97 53.08 1ddl s LYS 16 Cb -0.13 -1.60 0.11 0.00 -1.01 0.00 0.00 37.83 35.21 1ddl s LYS 16 CO -0.10 0.24 1.14 -1.25 0.51 0.00 0.00 175.35 175.89 1ddl s PRO 17 N -3.57 1.49 -0.03 -1.68 0.04 -1.26 -5.08 135.00 124.91 1ddl s PRO 17 Ca 0.29 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 61.35 1ddl s PRO 17 Cb -0.02 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.74 1ddl s PRO 17 CO 0.14 -1.96 0.88 -1.54 0.04 0.00 0.00 177.00 174.56 1ddl s SER 18 N -4.13 -0.40 0.00 6.66 1.04 -1.26 -5.15 113.70 110.45 1ddl s SER 18 Ca 0.63 0.14 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1ddl s SER 18 Cb -0.14 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1ddl s SER 18 CO 0.52 -0.58 0.00 0.18 0.98 0.00 0.00 173.24 174.34 1ddl n LEU 19 N 0.04 0.00 -4.81 2.42 4.77 -1.26 -5.14 117.00 113.02 1ddl n LEU 19 Ca -0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 1ddl n LEU 19 Cb 0.61 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1ddl n LEU 19 CO 0.13 0.00 0.53 -0.76 -1.33 0.00 0.00 177.39 175.96 1ddl s LEU 20 N 0.00 4.27 1.15 2.23 1.43 -1.26 -5.07 118.68 121.43 1ddl s LEU 20 Ca 0.00 1.58 -0.18 0.00 -1.03 0.00 0.00 54.13 54.51 1ddl s LEU 20 Cb 0.00 -3.89 0.26 0.00 0.03 0.00 0.00 46.19 42.59 1ddl s LEU 20 CO 0.00 -0.07 1.12 -2.16 0.23 0.00 0.00 176.35 175.47 1ddl s PRO 21 N -2.23 -0.83 0.46 1.29 0.04 -1.26 -4.95 135.00 127.52 1ddl s PRO 21 Ca 0.49 0.01 -0.24 0.00 0.04 0.00 0.00 61.00 61.30 1ddl s PRO 21 Cb -0.16 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 1ddl s PRO 21 CO 0.21 -3.47 1.23 -1.25 0.04 0.00 0.00 177.00 173.77 1ddl s PRO 22 N -5.36 3.71 -0.00 0.56 0.04 -1.26 -4.92 135.00 127.77 1ddl s PRO 22 Ca 0.70 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 1ddl s PRO 22 Cb -0.11 -2.48 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1ddl s PRO 22 CO 0.56 -0.65 1.71 -1.25 0.04 0.00 0.00 177.00 177.42 1ddl s PRO 23 N -2.60 4.18 -0.01 0.56 0.04 -1.26 -5.00 135.00 130.91 1ddl s PRO 23 Ca 0.63 2.31 -0.03 0.00 0.04 0.00 0.00 61.00 63.95 1ddl s PRO 23 Cb -0.33 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 1ddl s PRO 23 CO 0.41 -0.84 0.19 0.14 0.04 0.00 0.00 177.00 176.94 1ddl s VAL 24 N 3.75 5.43 0.00 -0.36 -7.23 -1.26 -5.02 120.40 115.71 1ddl s VAL 24 Ca 0.76 -0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1ddl s VAL 24 Cb -0.37 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.03 1ddl s VAL 24 CO 0.33 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 1ddl n GLY 25 N 0.94 -1.07 3.72 2.32 0.00 -1.26 -4.86 105.19 104.98 1ddl n GLY 25 Ca -0.11 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1ddl n GLY 25 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ddl s ASN 26 N -4.00 7.15 0.39 1.61 0.01 -1.26 -5.03 114.94 113.81 1ddl s ASN 26 Ca 0.00 2.02 -0.25 0.00 -0.71 0.00 0.00 52.86 53.92 1ddl s ASN 26 Cb 0.00 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 1ddl s ASN 26 CO 0.00 -0.39 1.12 -2.16 -1.51 0.00 0.00 177.10 174.17 1ddl s PRO 27 N 0.62 4.12 0.62 -0.60 0.04 -1.26 -5.01 135.00 133.54 1ddl s PRO 27 Ca 0.55 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 1ddl s PRO 27 Cb -0.29 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 1ddl s PRO 27 CO 0.31 -0.23 1.09 -1.25 0.04 0.00 0.00 177.00 176.96 1ddl s PRO 28 N -2.31 3.07 0.58 0.56 0.04 -1.26 -5.01 135.00 130.67 1ddl s PRO 28 Ca 0.57 1.33 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1ddl s PRO 28 Cb -0.28 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1ddl s PRO 28 CO 0.35 -1.03 1.14 -1.25 0.04 0.00 0.00 177.00 176.25 1ddl s PRO 29 N -4.01 3.13 0.05 0.56 0.04 -1.26 -4.89 135.00 128.62 1ddl s PRO 29 Ca 0.66 1.61 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1ddl s PRO 29 Cb -0.19 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1ddl s PRO 29 CO 0.38 -1.03 -0.22 0.08 0.04 0.00 0.00 177.00 176.25 1ddl s VAL 30 N -1.86 2.47 0.05 -0.36 1.01 -1.26 -4.45 120.40 115.99 1ddl s VAL 30 Ca 0.73 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1ddl s VAL 30 Cb -0.25 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1ddl s VAL 30 CO 0.32 0.32 -0.12 -0.51 0.00 0.00 0.00 175.10 175.10 1ddl s ILE 31 N -0.90 0.93 -0.15 2.22 2.07 -0.77 -4.97 121.20 119.63 1ddl s ILE 31 Ca 0.13 -1.04 -0.04 0.00 -1.41 0.00 0.00 60.65 58.30 1ddl s ILE 31 Cb -0.10 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.58 1ddl s ILE 31 CO 0.04 -0.14 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.47 1ddl s SER 32 N -1.32 4.91 -0.12 4.50 0.01 -1.26 -0.37 113.70 120.05 1ddl s SER 32 Ca -0.02 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1ddl s SER 32 Cb -0.08 -1.77 -0.00 0.00 0.21 0.00 0.00 66.02 64.38 1ddl s SER 32 CO 0.01 0.19 -0.20 -0.47 0.41 0.00 0.00 173.24 173.18 1ddl s TYR 33 N 0.25 2.66 0.32 2.43 5.04 -0.09 -4.89 117.35 123.06 1ddl s TYR 33 Ca -0.02 -1.01 -0.16 0.00 -2.44 0.00 0.00 57.07 53.44 1ddl s TYR 33 Cb -0.14 -1.78 -0.09 0.00 0.35 0.00 0.00 41.96 40.31 1ddl s TYR 33 CO 0.03 -0.41 0.75 -1.25 -1.34 0.00 0.00 175.55 173.32 1ddl s PRO 34 N 0.47 4.05 0.09 4.97 0.04 -1.26 -1.23 135.00 142.12 1ddl s PRO 34 Ca -0.14 0.72 -0.17 0.00 0.04 0.00 0.00 61.00 61.45 1ddl s PRO 34 Cb -0.17 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 31.93 1ddl s PRO 34 CO 0.06 0.18 0.40 -0.59 0.04 0.00 0.00 177.00 177.08 1ddl s PHE 35 N -1.94 -0.22 -0.07 0.56 -0.12 -0.39 -4.99 117.98 110.81 1ddl s PHE 35 Ca 0.53 0.02 -0.03 0.00 -0.05 0.00 0.00 56.93 57.41 1ddl s PHE 35 Cb -0.11 0.23 0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1ddl s PHE 35 CO 0.18 -0.64 0.15 -1.14 -0.05 0.00 0.00 175.22 173.72 1ddl s GLN 36 N -3.22 0.06 -0.05 1.99 0.74 -1.26 -1.51 119.66 116.41 1ddl s GLN 36 Ca -0.01 0.45 0.03 0.00 0.05 0.00 0.00 55.36 55.89 1ddl s GLN 36 Cb 0.01 -0.22 0.00 0.00 1.10 0.00 0.00 33.01 33.90 1ddl s GLN 36 CO -0.08 -0.23 -0.15 0.42 -0.55 0.00 0.00 175.29 174.71 1ddl s ILE 37 N 1.64 1.27 -0.13 -2.34 1.01 0.17 -4.97 121.20 117.85 1ddl s ILE 37 Ca -0.04 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.74 1ddl s ILE 37 Cb -0.12 -1.12 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1ddl s ILE 37 CO -0.06 0.38 0.92 -0.89 0.00 0.00 0.00 174.94 175.29 1ddl s THR 38 N 0.32 4.83 -0.20 2.92 2.01 -1.26 -1.04 115.64 123.22 1ddl s THR 38 Ca -0.09 1.85 0.17 0.00 0.31 0.00 0.00 61.69 63.94 1ddl s THR 38 Cb -0.13 -4.23 -0.25 0.00 0.01 0.00 0.00 72.50 67.90 1ddl s THR 38 CO 0.03 0.02 0.06 0.18 -0.69 0.00 0.00 174.62 174.22 1ddl n LEU 39 N 5.06 0.07 -3.55 4.42 4.77 0.55 -4.98 117.00 123.34 1ddl n LEU 39 Ca 0.07 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1ddl n LEU 39 Cb 0.49 0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 42.00 1ddl n LEU 39 CO 0.50 0.51 0.74 0.00 -1.33 0.00 0.00 177.39 177.81 1ddl s ALA 40 N -2.49 -1.90 -0.22 -1.18 0.00 -1.01 -4.99 121.76 109.96 1ddl s ALA 40 Ca -0.10 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.19 1ddl s ALA 40 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1ddl s ALA 40 CO 0.82 -0.45 -0.00 -1.12 0.00 0.00 0.00 175.76 175.00 1ddl s SER 41 N -1.62 4.64 0.42 0.00 0.01 -1.26 -0.77 113.70 115.11 1ddl s SER 41 Ca 0.01 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.04 1ddl s SER 41 Cb -0.01 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 1ddl s SER 41 CO -0.02 -0.01 0.18 -0.76 0.41 0.00 0.00 173.24 173.04 1ddl s LEU 42 N 1.43 3.07 0.00 2.44 1.43 0.16 -4.83 118.68 122.38 1ddl s LEU 42 Ca 0.05 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1ddl s LEU 42 Cb -0.15 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.69 1ddl s LEU 42 CO -0.00 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.62 1ddl n GLY 43 N -1.25 2.34 0.02 -3.19 0.00 -1.26 -0.51 105.19 101.36 1ddl n GLY 43 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1ddl n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ddl n THR 44 N -1.64 0.00 -3.59 2.61 -2.24 -1.26 -4.48 114.28 103.68 1ddl n THR 44 Ca 0.00 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1ddl n THR 44 Cb 0.00 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 1ddl n THR 44 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ddl s GLU 45 N -2.95 0.43 0.35 -0.78 -1.05 -1.26 -4.75 118.70 108.69 1ddl s GLU 45 Ca 0.12 0.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.71 1ddl s GLU 45 Cb 0.18 0.20 -0.12 0.00 -0.44 0.00 0.00 34.13 33.95 1ddl s GLU 45 CO 0.70 -0.15 1.24 -0.25 0.95 0.00 0.00 175.26 177.76 1ddl n ASP 46 N 0.51 2.50 -3.94 0.83 8.00 -1.26 -4.56 116.55 118.63 1ddl n ASP 46 Ca -0.06 1.18 -0.09 0.00 0.71 0.00 0.00 54.79 56.53 1ddl n ASP 46 Cb 0.58 -1.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.13 1ddl n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ddl s ALA 47 N -1.12 -0.03 -0.29 2.24 0.00 -0.64 -4.99 121.76 116.93 1ddl s ALA 47 Ca 0.57 -0.59 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 1ddl s ALA 47 Cb -0.57 0.25 0.13 0.00 0.00 0.00 0.00 23.12 22.93 1ddl s ALA 47 CO 0.61 -0.32 0.86 0.00 0.00 0.00 0.00 175.76 176.91 1ddl s ALA 48 N -2.65 -2.26 0.33 0.00 0.00 -1.26 -0.21 121.76 115.72 1ddl s ALA 48 Ca -0.05 2.24 -0.12 0.00 0.00 0.00 0.00 51.96 54.04 1ddl s ALA 48 Cb -0.01 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.38 1ddl s ALA 48 CO -0.05 -0.61 0.62 0.34 0.00 0.00 0.00 175.76 176.06 1ddl s ASP 49 N 1.97 0.22 -0.05 0.00 2.15 -0.88 -5.02 116.67 115.05 1ddl s ASP 49 Ca -0.07 -1.13 0.01 0.00 0.43 0.00 0.00 52.55 51.79 1ddl s ASP 49 Cb -0.06 0.72 0.02 0.00 -0.30 0.00 0.00 42.92 43.30 1ddl s ASP 49 CO -0.17 -1.41 -0.06 -0.94 -0.17 0.00 0.00 175.17 172.42 1ddl s SER 50 N -3.09 1.19 -0.22 -0.34 1.04 -1.26 -1.94 113.70 109.08 1ddl s SER 50 Ca 0.21 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 1ddl s SER 50 Cb -0.03 -0.53 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1ddl s SER 50 CO 0.13 -0.05 -0.05 -0.69 0.98 0.00 0.00 173.24 173.56 1ddl s VAL 51 N 0.97 3.27 -0.44 5.02 1.01 0.40 -4.95 120.40 125.69 1ddl s VAL 51 Ca -0.10 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1ddl s VAL 51 Cb -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1ddl s VAL 51 CO 0.00 0.43 0.72 -0.55 0.00 0.00 0.00 175.10 175.70 1ddl s SER 52 N 1.46 6.39 0.26 3.32 0.15 -1.26 -0.77 113.70 123.25 1ddl s SER 52 Ca 0.06 -0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.52 1ddl s SER 52 Cb -0.14 -2.36 0.38 0.00 -1.71 0.00 0.00 66.02 62.19 1ddl s SER 52 CO -0.04 -0.84 1.89 0.40 1.20 0.00 0.00 173.24 175.85 1ddl h ILE 53 N 5.92 1.12 0.00 6.45 1.08 -1.71 -1.94 117.51 128.43 1ddl h ILE 53 Ca -0.25 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1ddl h ILE 53 Cb 1.09 -0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1ddl h ILE 53 CO 0.93 0.22 0.00 0.00 -0.69 0.00 0.00 178.15 178.61 1ddl h ALA 54 N 1.44 1.00 -0.09 1.87 0.00 -1.92 -2.89 119.26 118.67 1ddl h ALA 54 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ddl h ALA 54 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ddl h ALA 54 CO -0.15 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.97 1ddl n SER 55 N -2.44 2.60 -4.68 0.00 3.41 -0.75 -4.99 113.62 106.78 1ddl n SER 55 Ca 0.01 -2.66 -0.42 0.00 -0.26 0.00 0.00 58.87 55.53 1ddl n SER 55 Cb 0.18 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1ddl n SER 55 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1ddl s ASN 56 N -1.99 6.81 0.19 4.04 3.84 -1.10 -4.93 114.94 121.80 1ddl s ASN 56 Ca 0.24 2.10 -0.13 0.00 0.21 0.00 0.00 52.86 55.29 1ddl s ASN 56 Cb 0.20 -2.55 0.21 0.00 -0.55 0.00 0.00 41.25 38.56 1ddl s ASN 56 CO 0.05 -0.78 1.69 -1.28 -2.79 0.00 0.00 177.10 173.99 1ddl h SER 57 N 8.30 -0.15 -0.15 -4.21 0.87 -1.92 -1.72 113.55 114.56 1ddl h SER 57 Ca -0.37 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 1ddl h SER 57 Cb 1.17 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1ddl h SER 57 CO 0.93 -0.05 -0.10 0.58 -0.53 0.00 0.00 176.83 177.66 1ddl h VAL 58 N 0.15 1.33 0.00 2.23 2.07 -1.99 -2.85 116.25 117.18 1ddl h VAL 58 Ca 0.26 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1ddl h VAL 58 Cb 0.39 1.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1ddl h VAL 58 CO -0.41 0.35 -0.11 0.25 0.02 0.00 0.00 177.57 177.68 1ddl h LEU 59 N -0.01 0.00 -1.89 2.57 5.85 -1.91 -1.51 115.31 118.42 1ddl h LEU 59 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1ddl h LEU 59 Cb 0.59 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1ddl h LEU 59 CO 0.03 0.11 -0.11 0.00 -0.34 0.00 0.00 178.44 178.12 1ddl h ALA 60 N 1.89 1.23 0.00 1.25 0.00 -1.07 -1.28 119.26 121.28 1ddl h ALA 60 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ddl h ALA 60 Cb 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ddl h ALA 60 CO 0.01 0.14 -0.02 1.79 0.00 0.00 0.00 179.25 181.17 1ddl h THR 61 N 0.00 0.10 0.13 0.00 1.35 -1.21 0.13 112.91 113.41 1ddl h THR 61 Ca -0.00 -0.35 -0.32 0.00 -0.55 0.00 0.00 66.41 65.19 1ddl h THR 61 Cb 0.36 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1ddl h THR 61 CO 0.01 0.02 -1.65 1.88 -0.25 0.00 0.00 175.52 175.53 1ddl h TYR 62 N 0.00 0.51 0.00 4.73 -1.99 -1.38 -3.37 116.97 115.48 1ddl h TYR 62 Ca -0.00 -0.37 0.00 0.00 2.00 0.00 0.00 58.73 60.36 1ddl h TYR 62 Cb 0.31 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1ddl h TYR 62 CO 0.00 1.65 0.00 1.79 -0.00 0.00 0.00 178.16 181.60 1ddl h THR 63 N -0.13 0.00 -0.81 -2.88 1.35 -1.31 -3.32 112.91 105.81 1ddl h THR 63 Ca -0.35 -0.55 0.15 0.00 -0.55 0.00 0.00 66.41 65.11 1ddl h THR 63 Cb 1.90 1.51 -0.06 0.00 -1.73 0.00 0.00 68.15 69.77 1ddl h THR 63 CO 0.08 0.00 0.54 0.00 -0.25 0.00 0.00 175.52 175.89 1ddl h ALA 64 N 2.35 1.99 0.00 6.62 0.00 -0.91 -0.66 119.26 128.65 1ddl h ALA 64 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ddl h ALA 64 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ddl h ALA 64 CO 0.00 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1ddl n LEU 65 N -4.51 0.00 -4.46 0.00 4.77 -1.25 -4.78 117.00 106.77 1ddl n LEU 65 Ca 0.16 0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 1ddl n LEU 65 Cb 0.50 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 1ddl n LEU 65 CO 0.31 -0.03 -0.27 -0.31 -1.33 0.00 0.00 177.39 175.76 1ddl s TYR 66 N -2.76 2.01 -0.16 -1.77 1.51 -0.25 -0.06 117.35 115.86 1ddl s TYR 66 Ca 0.20 -0.93 0.17 0.00 -1.01 0.00 0.00 57.07 55.50 1ddl s TYR 66 Cb 0.18 -1.32 -0.25 0.00 -0.11 0.00 0.00 41.96 40.47 1ddl s TYR 66 CO 0.46 0.04 0.23 0.54 -1.11 0.00 0.00 175.55 175.71 1ddl n ARG 67 N -0.71 0.67 -4.82 -0.62 1.74 0.92 -4.62 116.66 109.23 1ddl n ARG 67 Ca -0.02 0.06 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 1ddl n ARG 67 Cb 0.67 -1.59 -0.17 0.00 -1.02 0.00 0.00 32.46 30.35 1ddl n ARG 67 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ddl s HIS 68 N -2.54 2.41 -0.04 -1.55 2.46 -0.96 -3.20 115.29 111.86 1ddl s HIS 68 Ca -0.09 -1.10 0.01 0.00 0.47 0.00 0.00 55.06 54.35 1ddl s HIS 68 Cb 0.07 -1.65 0.02 0.00 -0.13 0.00 0.00 32.58 30.89 1ddl s HIS 68 CO 0.83 -0.49 -0.04 0.00 -2.47 0.00 0.00 174.74 172.57 1ddl s ALA 69 N 0.67 0.64 -0.04 1.58 0.00 -0.43 -2.18 121.76 121.99 1ddl s ALA 69 Ca -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1ddl s ALA 69 Cb -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1ddl s ALA 69 CO 0.02 -0.06 -0.02 -1.14 0.00 0.00 0.00 175.76 174.56 1ddl s GLN 70 N 1.01 0.62 0.14 0.00 0.74 -0.23 -1.90 119.66 120.03 1ddl s GLN 70 Ca -0.10 -0.02 -0.30 0.00 0.05 0.00 0.00 55.36 54.99 1ddl s GLN 70 Cb -0.14 -0.71 -0.07 0.00 1.10 0.00 0.00 33.01 33.19 1ddl s GLN 70 CO -0.01 -0.11 1.17 -0.51 -0.55 0.00 0.00 175.29 175.28 1ddl s LEU 71 N 1.02 4.43 -0.19 3.68 1.43 0.81 0.37 118.68 130.23 1ddl s LEU 71 Ca -0.10 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 1ddl s LEU 71 Cb -0.14 -3.60 -0.21 0.00 0.03 0.00 0.00 46.19 42.27 1ddl s LEU 71 CO -0.01 -0.37 0.06 1.17 0.23 0.00 0.00 176.35 177.44 1ddl n LYS 72 N 2.98 0.69 -3.76 1.70 4.81 0.03 -4.86 118.16 119.75 1ddl n LYS 72 Ca 0.06 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.54 1ddl n LYS 72 Cb 0.46 -1.60 -0.10 0.00 0.02 0.00 0.00 35.03 33.81 1ddl n LYS 72 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1ddl s HIS 73 N -2.53 -0.29 -0.22 5.64 5.04 -1.23 -4.98 115.29 116.71 1ddl s HIS 73 Ca -0.25 0.64 -0.15 0.00 -1.54 0.00 0.00 55.06 53.75 1ddl s HIS 73 Cb 0.08 0.11 0.07 0.00 0.04 0.00 0.00 32.58 32.88 1ddl s HIS 73 CO 0.70 -0.27 0.56 -1.17 -2.34 0.00 0.00 174.74 172.22 1ddl s LEU 74 N -0.47 -0.42 0.13 8.88 2.96 -1.26 -1.99 118.68 126.51 1ddl s LEU 74 Ca -0.06 1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 54.94 1ddl s LEU 74 Cb -0.04 1.91 0.00 0.00 0.50 0.00 0.00 46.19 48.56 1ddl s LEU 74 CO 0.02 -0.21 0.28 -1.59 -1.32 0.00 0.00 176.35 173.53 1ddl s LYS 75 N 1.13 1.05 0.09 1.98 -2.85 -0.15 -1.06 119.74 119.93 1ddl s LYS 75 Ca -0.07 -1.02 0.07 0.00 -1.00 0.00 0.00 55.97 53.95 1ddl s LYS 75 Cb -0.06 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1ddl s LYS 75 CO -0.11 -0.38 -0.10 0.00 0.10 0.00 0.00 175.35 174.86 1ddl s ALA 76 N -3.90 2.94 0.01 0.59 0.00 -0.51 -1.26 121.76 119.63 1ddl s ALA 76 Ca 0.10 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1ddl s ALA 76 Cb 0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1ddl s ALA 76 CO -0.06 0.64 -0.05 0.99 0.00 0.00 0.00 175.76 177.28 1ddl s THR 77 N -1.17 0.35 -0.24 0.00 2.01 0.01 -0.40 115.64 116.20 1ddl s THR 77 Ca 0.21 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1ddl s THR 77 Cb -0.11 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.06 1ddl s THR 77 CO 0.13 -0.10 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.27 1ddl s ILE 78 N -0.57 3.08 -0.26 1.82 1.01 -0.24 -1.42 121.20 124.61 1ddl s ILE 78 Ca -0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1ddl s ILE 78 Cb -0.05 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1ddl s ILE 78 CO -0.00 0.29 0.10 -1.00 0.00 0.00 0.00 174.94 174.33 1ddl s HIS 79 N 1.39 3.12 0.48 3.97 3.76 0.23 -2.81 115.29 125.43 1ddl s HIS 79 Ca 0.03 -0.34 -0.19 0.00 -0.15 0.00 0.00 55.06 54.41 1ddl s HIS 79 Cb -0.16 -2.27 -0.09 0.00 1.11 0.00 0.00 32.58 31.17 1ddl s HIS 79 CO -0.04 -0.33 0.98 -1.25 -0.85 0.00 0.00 174.74 173.25 1ddl s PRO 80 N 1.64 3.99 0.50 8.40 0.04 -1.26 -0.50 135.00 147.81 1ddl s PRO 80 Ca 0.06 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1ddl s PRO 80 Cb -0.15 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 1ddl s PRO 80 CO 0.05 -0.24 0.17 0.95 0.04 0.00 0.00 177.00 177.98 1ddl s THR 81 N -2.35 1.54 -1.37 1.26 -4.23 -0.54 -4.91 115.64 105.03 1ddl s THR 81 Ca 0.62 -1.77 0.09 0.00 -1.18 0.00 0.00 61.69 59.45 1ddl s THR 81 Cb -0.11 -2.31 0.15 0.00 1.34 0.00 0.00 72.50 71.57 1ddl s THR 81 CO 0.23 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.49 1ddl n TYR 82 N -1.43 0.00 0.55 3.99 -0.00 -1.26 -1.83 117.16 117.18 1ddl n TYR 82 Ca -0.10 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.91 1ddl n TYR 82 Cb 0.66 -0.31 -0.02 0.00 -0.00 0.00 0.00 39.34 39.67 1ddl n TYR 82 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1ddl n MET 83 N -1.31 0.30 -0.18 -3.48 2.81 -1.26 -4.44 117.12 109.56 1ddl n MET 83 Ca 0.04 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.87 1ddl n MET 83 Cb 0.08 -1.58 0.06 0.00 -0.71 0.00 0.00 33.22 31.06 1ddl n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ddl h ALA 84 N 2.53 0.70 -0.40 3.04 0.00 -1.52 -2.49 119.26 121.11 1ddl h ALA 84 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ddl h ALA 84 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ddl h ALA 84 CO 0.00 -0.04 0.27 -1.35 0.00 0.00 0.00 179.25 178.13 1ddl h PRO 85 N 0.57 0.38 0.00 0.00 0.11 -1.78 -2.17 132.00 129.11 1ddl h PRO 85 Ca 0.23 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1ddl h PRO 85 Cb 0.11 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1ddl h PRO 85 CO -0.14 0.25 -0.79 -0.22 -0.21 0.00 0.00 178.00 176.88 1ddl h LYS 86 N 0.39 0.00 -2.19 1.05 1.63 -1.78 -3.29 116.57 112.38 1ddl h LYS 86 Ca 0.16 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.38 1ddl h LYS 86 Cb 0.17 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 31.39 1ddl h LYS 86 CO -0.04 0.27 -0.83 0.66 -3.45 0.00 0.00 179.45 176.06 1ddl n TYR 87 N -3.00 1.69 -1.55 1.91 4.02 -0.85 -4.97 117.16 114.40 1ddl n TYR 87 Ca -0.02 -3.87 -0.52 0.00 -0.01 0.00 0.00 57.90 53.49 1ddl n TYR 87 Cb 0.70 -0.42 -0.05 0.00 -0.02 0.00 0.00 39.34 39.54 1ddl n TYR 87 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1ddl n PRO 88 N 1.29 0.84 -4.90 -0.72 -0.02 -1.05 -4.73 135.00 125.71 1ddl n PRO 88 Ca 0.26 0.30 -0.27 0.00 -2.02 0.00 0.00 63.50 61.77 1ddl n PRO 88 Cb 0.46 -1.80 -0.16 0.00 -0.02 0.00 0.00 33.50 31.98 1ddl n PRO 88 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ddl s THR 89 N -0.02 1.53 0.04 3.45 2.01 -0.25 -4.38 115.64 118.02 1ddl s THR 89 Ca 0.79 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 61.77 1ddl s THR 89 Cb -0.97 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1ddl s THR 89 CO 0.52 0.44 0.79 -0.44 -0.69 0.00 0.00 174.62 175.23 1ddl s SER 90 N 0.02 7.22 -0.04 3.53 0.01 -0.74 -0.01 113.70 123.70 1ddl s SER 90 Ca -0.04 1.46 -0.00 0.00 1.31 0.00 0.00 55.95 58.68 1ddl s SER 90 Cb -0.12 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.66 1ddl s SER 90 CO 0.03 -0.01 0.01 -0.69 0.41 0.00 0.00 173.24 172.98 1ddl s VAL 91 N 0.07 0.17 -0.03 3.43 1.01 -0.51 -1.67 120.40 122.88 1ddl s VAL 91 Ca 0.40 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.57 1ddl s VAL 91 Cb -0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1ddl s VAL 91 CO 0.23 0.18 -0.16 0.00 0.00 0.00 0.00 175.10 175.35 1ddl s ALA 92 N 1.43 1.36 0.10 5.51 0.00 0.84 -0.16 121.76 130.83 1ddl s ALA 92 Ca -0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1ddl s ALA 92 Cb -0.13 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1ddl s ALA 92 CO -0.03 0.28 0.25 -0.48 0.00 0.00 0.00 175.76 175.78 1ddl s LEU 93 N -0.12 1.14 -0.11 0.00 0.05 -0.43 -1.14 118.68 118.07 1ddl s LEU 93 Ca 0.01 -0.55 -0.28 0.00 0.05 0.00 0.00 54.13 53.36 1ddl s LEU 93 Cb -0.09 1.25 0.07 0.00 -2.05 0.00 0.00 46.19 45.37 1ddl s LEU 93 CO 0.01 -0.75 0.66 0.54 -0.55 0.00 0.00 176.35 176.25 1ddl s VAL 94 N -3.78 0.00 -0.19 1.48 0.11 -0.77 -1.65 120.40 115.61 1ddl s VAL 94 Ca 0.04 -0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 1ddl s VAL 94 Cb 0.04 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 1ddl s VAL 94 CO -0.11 -0.02 0.07 0.26 -3.33 0.00 0.00 175.10 171.97 1ddl s TRP 95 N -0.74 3.25 0.06 1.54 0.52 -1.26 -0.66 118.94 121.64 1ddl s TRP 95 Ca -0.08 0.05 -0.03 0.00 0.02 0.00 0.00 56.10 56.07 1ddl s TRP 95 Cb -0.02 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 1ddl s TRP 95 CO 0.07 0.12 0.02 0.14 0.02 0.00 0.00 176.95 177.33 1ddl s VAL 96 N 0.46 0.20 0.68 4.03 -7.23 -0.02 -4.97 120.40 113.56 1ddl s VAL 96 Ca 0.03 -1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 1ddl s VAL 96 Cb -0.13 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.38 1ddl s VAL 96 CO 0.01 -0.90 1.23 -2.84 -0.31 0.00 0.00 175.10 172.29 1ddl s PRO 97 N -3.84 2.40 0.56 4.82 0.02 -1.26 -0.78 135.00 136.93 1ddl s PRO 97 Ca 0.06 1.86 0.24 0.00 0.02 0.00 0.00 61.00 63.18 1ddl s PRO 97 Cb 0.07 -1.85 1.61 0.00 0.02 0.00 0.00 34.50 34.34 1ddl s PRO 97 CO -0.10 -1.66 2.21 0.00 -0.33 0.00 0.00 177.00 177.12 1ddl h ALA 98 N 0.15 1.72 -0.32 -1.55 0.00 -0.52 -1.60 119.26 117.14 1ddl h ALA 98 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ddl h ALA 98 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ddl h ALA 98 CO 0.52 -0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.03 1ddl n ASN 99 N -4.12 2.76 -4.80 0.00 6.94 -0.87 -4.89 115.26 110.27 1ddl n ASN 99 Ca -0.03 -2.27 -0.36 0.00 -0.02 0.00 0.00 54.58 51.91 1ddl n ASN 99 Cb 0.09 -0.45 -0.07 0.00 -2.36 0.00 0.00 39.78 37.00 1ddl n ASN 99 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1ddl s SER 100 N -0.64 7.17 -0.07 0.53 0.15 -0.60 -4.95 113.70 115.29 1ddl s SER 100 Ca 0.26 1.73 0.17 0.00 0.70 0.00 0.00 55.95 58.80 1ddl s SER 100 Cb 0.17 -2.54 0.60 0.00 -1.71 0.00 0.00 66.02 62.54 1ddl s SER 100 CO 0.12 -0.15 1.49 0.35 1.20 0.00 0.00 173.24 176.25 1ddl n THR 101 N 0.18 1.34 -2.43 6.45 -2.24 -1.26 -4.95 114.28 111.37 1ddl n THR 101 Ca 0.03 -0.95 -0.35 0.00 -2.27 0.00 0.00 64.05 60.51 1ddl n THR 101 Cb 0.51 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 1ddl n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddl s ALA 102 N -1.61 2.83 0.34 6.98 0.00 -1.26 -5.06 121.76 123.98 1ddl s ALA 102 Ca 0.43 0.71 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1ddl s ALA 102 Cb 0.26 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1ddl s ALA 102 CO 0.23 -0.48 -0.04 0.95 0.00 0.00 0.00 175.76 176.42 1ddl s THR 103 N -1.87 2.48 0.60 0.00 -4.23 -1.26 -5.03 115.64 106.34 1ddl s THR 103 Ca 0.68 -2.09 0.28 0.00 -1.18 0.00 0.00 61.69 59.39 1ddl s THR 103 Cb -0.20 -2.71 0.36 0.00 1.34 0.00 0.00 72.50 71.29 1ddl s THR 103 CO 0.23 -0.22 1.87 0.28 -0.54 0.00 0.00 174.62 176.25 1ddl h SER 104 N 1.92 0.00 -0.18 3.99 0.02 -1.87 0.98 113.55 118.42 1ddl h SER 104 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ddl h SER 104 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ddl h SER 104 CO 0.68 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.72 1ddl n THR 105 N -3.54 0.23 -1.36 -2.27 -2.24 -1.26 -3.83 114.28 100.00 1ddl n THR 105 Ca 0.07 -0.37 0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1ddl n THR 105 Cb 0.65 0.40 0.19 0.00 -2.10 0.00 0.00 70.33 69.47 1ddl n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddl n GLN 106 N 0.38 1.68 -0.03 -0.78 6.02 0.34 -4.80 117.38 120.19 1ddl n GLN 106 Ca 0.16 -3.03 -0.09 0.00 -0.01 0.00 0.00 57.00 54.03 1ddl n GLN 106 Cb 0.34 -1.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 1ddl n GLN 106 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ddl h VAL 107 N 0.79 0.80 0.00 5.09 2.07 -1.67 -1.75 116.25 121.58 1ddl h VAL 107 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1ddl h VAL 107 Cb 1.17 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1ddl h VAL 107 CO 0.10 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.87 1ddl n LEU 108 N -5.20 0.00 -1.04 2.57 4.77 -1.26 -1.72 117.00 115.12 1ddl n LEU 108 Ca -0.03 0.23 0.09 0.00 -0.03 0.00 0.00 56.01 56.28 1ddl n LEU 108 Cb 0.12 -0.23 0.24 0.00 -2.33 0.00 0.00 43.42 41.22 1ddl n LEU 108 CO 0.24 -0.12 0.71 0.47 -1.33 0.00 0.00 177.39 177.36 1ddl n ASP 109 N -1.23 3.48 -4.28 -1.43 8.00 -0.67 -4.92 116.55 115.50 1ddl n ASP 109 Ca 0.08 -1.99 -0.32 0.00 0.71 0.00 0.00 54.79 53.28 1ddl n ASP 109 Cb 0.11 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 1ddl n ASP 109 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ddl s THR 110 N -1.03 2.11 0.17 -3.53 2.01 -0.70 -5.09 115.64 109.58 1ddl s THR 110 Ca 0.37 -1.05 -0.34 0.00 0.31 0.00 0.00 61.69 60.99 1ddl s THR 110 Cb 0.20 -1.77 -0.14 0.00 0.01 0.00 0.00 72.50 70.80 1ddl s THR 110 CO 0.26 0.57 1.52 0.00 -0.69 0.00 0.00 174.62 176.28 1ddl n TYR 111 N 2.92 2.17 -0.32 4.92 9.36 -1.26 -1.44 117.16 133.51 1ddl n TYR 111 Ca -0.17 0.34 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1ddl n TYR 111 Cb 0.52 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 1ddl n TYR 111 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ddl n GLY 112 N 3.11 1.91 3.77 2.98 0.00 -1.26 -4.87 105.19 110.83 1ddl n GLY 112 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1ddl n GLY 112 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ddl s GLY 113 N -1.94 2.97 0.03 -0.02 0.00 -0.52 -4.84 107.32 103.00 1ddl s GLY 113 Ca 0.00 1.24 0.04 0.00 0.00 0.00 0.00 44.72 46.00 1ddl s GLY 113 CO 0.00 1.86 -0.11 1.08 0.00 0.00 0.00 173.10 175.93 1ddl s LEU 114 N -2.07 2.15 -0.15 0.66 1.43 -0.66 -4.80 118.68 115.25 1ddl s LEU 114 Ca 0.52 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1ddl s LEU 114 Cb -0.39 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.40 1ddl s LEU 114 CO 0.51 -0.00 -0.16 -2.28 0.23 0.00 0.00 176.35 174.64 1ddl s HIS 115 N -0.80 2.34 0.31 0.29 2.46 -1.26 -1.32 115.29 117.31 1ddl s HIS 115 Ca -0.01 -1.30 0.10 0.00 0.47 0.00 0.00 55.06 54.32 1ddl s HIS 115 Cb -0.07 -1.67 -0.05 0.00 -0.13 0.00 0.00 32.58 30.65 1ddl s HIS 115 CO 0.01 -0.68 -0.03 -0.06 -2.47 0.00 0.00 174.74 171.51 1ddl s PHE 116 N 1.32 2.54 -0.34 3.88 0.40 0.77 -4.98 117.98 121.58 1ddl s PHE 116 Ca 0.03 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1ddl s PHE 116 Cb -0.13 -1.33 0.07 0.00 0.51 0.00 0.00 43.02 42.14 1ddl s PHE 116 CO -0.09 0.55 0.07 0.00 0.70 0.00 0.00 175.22 176.45 1ddl s ILE 118 N 1.18 5.03 0.00 0.00 -1.09 0.99 -4.80 121.20 122.51 1ddl s ILE 118 Ca 0.01 1.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1ddl s ILE 118 Cb -0.21 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1ddl s ILE 118 CO -0.03 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 1ddl n GLY 119 N 3.72 0.30 0.16 6.18 0.00 -0.89 -1.09 105.19 113.57 1ddl n GLY 119 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1ddl n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddl n GLY 120 N 0.00 3.09 0.00 -0.02 0.00 -0.97 -3.84 105.19 103.46 1ddl n GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ddl n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ddl n SER 121 N 0.03 0.00 -2.68 1.61 7.64 -1.26 -4.83 113.62 114.14 1ddl n SER 121 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1ddl n SER 121 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1ddl n SER 121 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ddl n VAL 122 N 0.00 0.00 -2.26 0.44 0.24 -1.25 -4.84 118.33 110.67 1ddl n VAL 122 Ca 0.00 -0.48 -0.06 0.00 -2.04 0.00 0.00 64.34 61.76 1ddl n VAL 122 Cb 0.00 -0.66 0.03 0.00 -1.47 0.00 0.00 33.84 31.74 1ddl n VAL 122 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ddl n ASN 123 N -2.44 -3.68 0.00 -1.34 4.13 -1.26 -2.09 115.26 108.58 1ddl n ASN 123 Ca 0.02 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.99 1ddl n ASN 123 Cb 0.14 -2.42 0.00 0.00 -1.54 0.00 0.00 39.78 35.96 1ddl n ASN 123 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ddl n SER 124 N -2.17 0.09 -3.84 6.41 7.64 -1.26 -3.26 113.62 117.24 1ddl n SER 124 Ca -0.04 -0.40 -0.29 0.00 1.01 0.00 0.00 58.87 59.15 1ddl n SER 124 Cb 0.55 0.49 0.26 0.00 -1.01 0.00 0.00 64.21 64.50 1ddl n SER 124 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ddl n VAL 125 N -0.49 0.00 -1.29 0.44 0.24 -1.26 -4.67 118.33 111.30 1ddl n VAL 125 Ca 0.00 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.34 61.67 1ddl n VAL 125 Cb 0.02 -0.92 -0.13 0.00 -1.47 0.00 0.00 33.84 31.34 1ddl n VAL 125 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1ddl n LYS 126 N -4.89 0.00 0.00 7.34 0.00 -1.26 -4.64 118.16 114.71 1ddl n LYS 126 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1ddl n LYS 126 Cb 0.56 -1.33 0.00 0.00 -0.00 0.00 0.00 35.03 34.26 1ddl n LYS 126 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ddl n PRO 127 N 7.37 0.00 -2.44 -1.58 -0.02 -1.26 -4.79 135.00 132.27 1ddl n PRO 127 Ca 0.57 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1ddl n PRO 127 Cb 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.47 1ddl n PRO 127 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ddl s ILE 128 N 0.00 4.20 -0.00 4.25 1.09 -1.12 -4.87 121.20 124.73 1ddl s ILE 128 Ca 0.00 1.54 0.00 0.00 -1.10 0.00 0.00 60.65 61.09 1ddl s ILE 128 Cb 0.00 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.37 1ddl s ILE 128 CO 0.00 0.03 0.06 -1.81 -0.10 0.00 0.00 174.94 173.11 1ddl s ASP 129 N 1.40 5.50 -0.35 3.58 -0.00 -1.26 -1.08 116.67 124.46 1ddl s ASP 129 Ca 0.57 0.10 -0.00 0.00 -0.00 0.00 0.00 52.55 53.21 1ddl s ASP 129 Cb -0.26 -1.54 0.11 0.00 -0.00 0.00 0.00 42.92 41.24 1ddl s ASP 129 CO 0.24 0.28 0.15 -0.69 -0.00 0.00 0.00 175.17 175.15 1ddl s VAL 130 N -1.16 0.82 0.40 -1.27 1.01 0.47 -4.97 120.40 115.71 1ddl s VAL 130 Ca 0.22 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.27 1ddl s VAL 130 Cb -0.12 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 1ddl s VAL 130 CO 0.13 -0.78 1.17 -1.61 0.00 0.00 0.00 175.10 174.00 1ddl s GLU 131 N 1.27 4.05 -0.10 2.72 2.02 -1.26 -1.42 118.70 125.97 1ddl s GLU 131 Ca 0.13 1.83 -0.21 0.00 0.02 0.00 0.00 54.97 56.74 1ddl s GLU 131 Cb -0.20 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1ddl s GLU 131 CO -0.16 -0.32 0.59 0.00 0.02 0.00 0.00 175.26 175.39 1ddl s ALA 132 N -1.43 3.42 -0.46 5.21 0.00 -0.22 -4.94 121.76 123.34 1ddl s ALA 132 Ca 0.57 -0.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 1ddl s ALA 132 Cb -0.30 -2.82 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1ddl s ALA 132 CO 0.38 -0.10 0.85 1.21 0.00 0.00 0.00 175.76 178.10 1ddl s ASN 133 N 0.76 6.45 0.00 0.00 3.84 -1.26 -4.70 114.94 120.03 1ddl s ASN 133 Ca 0.32 -0.00 0.07 0.00 0.21 0.00 0.00 52.86 53.45 1ddl s ASN 133 Cb -0.16 -2.42 0.39 0.00 -0.55 0.00 0.00 41.25 38.51 1ddl s ASN 133 CO 0.14 -0.98 1.00 0.18 -2.79 0.00 0.00 177.10 174.65 1ddl n LEU 134 N 6.93 0.00 -0.00 3.21 4.77 -1.26 -1.53 117.00 129.12 1ddl n LEU 134 Ca 0.04 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1ddl n LEU 134 Cb 0.48 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 1ddl n LEU 134 CO 0.61 0.00 -0.20 0.35 -1.33 0.00 0.00 177.39 176.83 1ddl n THR 135 N -0.64 0.00 0.65 -5.08 -2.24 -1.26 -4.16 114.28 101.55 1ddl n THR 135 Ca 0.05 -0.11 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1ddl n THR 135 Cb 0.02 0.77 0.02 0.00 -2.10 0.00 0.00 70.33 69.05 1ddl n THR 135 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ddl n ASN 136 N -1.67 1.84 -4.05 3.42 3.02 -0.58 -4.92 115.26 112.31 1ddl n ASN 136 Ca 0.02 -1.42 -0.19 0.00 -0.03 0.00 0.00 54.58 52.96 1ddl n ASN 136 Cb 0.38 0.28 -0.15 0.00 -0.61 0.00 0.00 39.78 39.69 1ddl n ASN 136 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ddl s LEU 137 N -1.69 2.04 -0.24 3.41 1.43 -1.06 -4.56 118.68 118.00 1ddl s LEU 137 Ca 0.15 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 1ddl s LEU 137 Cb 0.12 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.81 1ddl s LEU 137 CO 0.30 0.11 1.32 0.21 0.23 0.00 0.00 176.35 178.52 1ddl s ASN 138 N -0.34 6.75 0.00 2.29 3.84 -0.34 -4.61 114.94 122.52 1ddl s ASN 138 Ca 0.03 1.45 0.26 0.00 0.21 0.00 0.00 52.86 54.82 1ddl s ASN 138 Cb -0.04 -2.54 1.14 0.00 -0.55 0.00 0.00 41.25 39.26 1ddl s ASN 138 CO -0.00 -0.97 1.85 -0.81 -2.79 0.00 0.00 177.10 174.38 1ddl n PRO 139 N 7.07 0.03 -2.91 0.43 -0.04 -1.26 -3.80 135.00 134.53 1ddl n PRO 139 Ca 0.15 0.05 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 1ddl n PRO 139 Cb 0.46 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 1ddl n PRO 139 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ddl s ILE 140 N -2.96 4.46 -2.60 0.52 1.01 -1.26 -0.13 121.20 120.24 1ddl s ILE 140 Ca 0.14 -0.11 0.25 0.00 0.00 0.00 0.00 60.65 60.93 1ddl s ILE 140 Cb 0.17 -4.55 0.30 0.00 0.01 0.00 0.00 42.46 38.39 1ddl s ILE 140 CO 0.47 -1.18 1.44 2.30 0.00 0.00 0.00 174.94 177.97 1ddl n ILE 141 N 5.98 0.00 -3.67 2.92 -5.35 -0.80 -4.85 119.36 113.60 1ddl n ILE 141 Ca -0.02 -0.35 -0.08 0.00 -0.27 0.00 0.00 62.75 62.03 1ddl n ILE 141 Cb 0.46 1.02 -0.09 0.00 -1.74 0.00 0.00 39.64 39.30 1ddl n ILE 141 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1ddl s LYS 142 N -2.10 0.53 0.00 6.28 2.20 -1.09 -4.92 119.74 120.64 1ddl s LYS 142 Ca 0.30 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 1ddl s LYS 142 Cb 0.20 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1ddl s LYS 142 CO 0.36 -0.17 0.00 0.00 -0.36 0.00 0.00 175.35 175.19 1ddl n ALA 143 N 4.46 0.00 0.31 3.13 0.00 -1.19 -1.32 120.51 125.89 1ddl n ALA 143 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.31 1ddl n ALA 143 Cb 0.56 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.33 1ddl n ALA 143 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddl n SER 144 N -0.49 0.25 -4.00 0.00 7.64 -1.26 -4.73 113.62 111.02 1ddl n SER 144 Ca 0.00 0.58 -0.09 0.00 1.01 0.00 0.00 58.87 60.37 1ddl n SER 144 Cb 0.00 -0.62 -0.08 0.00 -1.01 0.00 0.00 64.21 62.50 1ddl n SER 144 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ddl s THR 145 N -3.16 0.09 0.06 0.44 -1.32 -1.26 -5.15 115.64 105.34 1ddl s THR 145 Ca 0.03 -1.51 -0.20 0.00 -1.21 0.00 0.00 61.69 58.80 1ddl s THR 145 Cb 0.07 -1.83 -0.06 0.00 -1.51 0.00 0.00 72.50 69.17 1ddl s THR 145 CO 0.22 -0.40 0.60 -0.89 -2.21 0.00 0.00 174.62 171.94 1ddl s THR 146 N -3.98 4.75 0.20 5.08 2.01 -1.26 -4.90 115.64 117.54 1ddl s THR 146 Ca 0.17 1.28 0.05 0.00 0.31 0.00 0.00 61.69 63.51 1ddl s THR 146 Cb 0.05 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1ddl s THR 146 CO -0.01 0.51 0.19 -0.36 -0.69 0.00 0.00 174.62 174.26 1ddl s PHE 147 N -0.83 3.21 -0.08 4.92 0.40 -1.26 -5.04 117.98 119.28 1ddl s PHE 147 Ca 0.30 -0.03 0.22 0.00 -0.60 0.00 0.00 56.93 56.82 1ddl s PHE 147 Cb -0.20 -1.50 -0.26 0.00 0.51 0.00 0.00 43.02 41.58 1ddl s PHE 147 CO 0.19 0.51 0.60 0.25 0.70 0.00 0.00 175.22 177.47 1ddl n THR 148 N -0.73 0.23 -1.67 0.64 -2.24 -1.26 -4.55 114.28 104.70 1ddl n THR 148 Ca -0.08 -0.53 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 1ddl n THR 148 Cb 0.56 -0.11 0.10 0.00 -2.10 0.00 0.00 70.33 68.77 1ddl n THR 148 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ddl n ASP 149 N -2.39 4.62 -4.85 3.42 5.75 -1.26 -2.06 116.55 119.78 1ddl n ASP 149 Ca -0.04 -3.78 -0.30 0.00 -0.01 0.00 0.00 54.79 50.66 1ddl n ASP 149 Cb 0.60 -0.59 0.08 0.00 -1.03 0.00 0.00 41.12 40.18 1ddl n ASP 149 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ddl s THR 150 N -4.16 2.91 0.29 2.12 -4.23 -1.26 -1.20 115.64 110.11 1ddl s THR 150 Ca 0.52 0.30 -0.30 0.00 -1.18 0.00 0.00 61.69 61.02 1ddl s THR 150 Cb 0.43 -3.20 -0.12 0.00 1.34 0.00 0.00 72.50 70.96 1ddl s THR 150 CO 0.01 -0.39 1.60 -2.65 -0.54 0.00 0.00 174.62 172.65 1ddl n PRO 151 N -3.27 2.70 -4.23 3.99 -0.02 -1.25 0.05 135.00 132.96 1ddl n PRO 151 Ca 0.07 0.96 -0.20 0.00 -2.02 0.00 0.00 63.50 62.31 1ddl n PRO 151 Cb 0.58 -2.74 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 1ddl n PRO 151 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ddl s LYS 152 N -0.48 0.92 -0.17 -0.52 2.20 0.04 -1.78 119.74 119.95 1ddl s LYS 152 Ca 0.64 -0.16 -0.06 0.00 -0.36 0.00 0.00 55.97 56.04 1ddl s LYS 152 Cb -0.50 -0.88 -0.03 0.00 -1.51 0.00 0.00 37.83 34.91 1ddl s LYS 152 CO 0.48 -0.05 0.02 -1.17 -0.36 0.00 0.00 175.35 174.28 1ddl s LEU 153 N 0.78 3.57 -0.11 5.43 2.96 0.05 -0.84 118.68 130.53 1ddl s LEU 153 Ca -0.11 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1ddl s LEU 153 Cb -0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1ddl s LEU 153 CO 0.01 0.17 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.38 1ddl s LEU 154 N 0.37 3.09 0.02 -0.68 1.43 0.17 -0.45 118.68 122.63 1ddl s LEU 154 Ca -0.00 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1ddl s LEU 154 Cb -0.13 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1ddl s LEU 154 CO 0.01 0.25 -0.01 -0.72 0.23 0.00 0.00 176.35 176.11 1ddl s TYR 155 N -0.11 0.22 -0.02 0.29 -0.85 -0.82 -1.85 117.35 114.23 1ddl s TYR 155 Ca 0.01 -0.46 0.01 0.00 -0.52 0.00 0.00 57.07 56.10 1ddl s TYR 155 Cb -0.13 -0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.05 1ddl s TYR 155 CO 0.03 -0.20 -0.02 -0.47 -1.52 0.00 0.00 175.55 173.37 1ddl s TYR 156 N -1.43 0.34 -0.02 -3.49 5.04 -0.29 -2.07 117.35 115.43 1ddl s TYR 156 Ca -0.16 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.42 1ddl s TYR 156 Cb -0.10 -0.31 0.02 0.00 0.35 0.00 0.00 41.96 41.92 1ddl s TYR 156 CO -0.01 -0.07 0.04 0.45 -1.34 0.00 0.00 175.55 174.63 1ddl s SER 157 N 0.43 0.02 -0.15 4.32 0.15 0.71 -0.11 113.70 119.07 1ddl s SER 157 Ca -0.04 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 1ddl s SER 157 Cb -0.07 0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1ddl s SER 157 CO -0.01 -0.09 -0.12 -0.75 1.20 0.00 0.00 173.24 173.47 1ddl s LYS 158 N 0.74 3.36 0.28 5.44 2.20 -0.67 -1.62 119.74 129.49 1ddl s LYS 158 Ca -0.06 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1ddl s LYS 158 Cb -0.09 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.52 1ddl s LYS 158 CO -0.02 0.12 0.37 0.00 -0.36 0.00 0.00 175.35 175.46 1ddl s ALA 159 N 0.59 3.98 0.62 3.13 0.00 -1.26 -1.78 121.76 127.04 1ddl s ALA 159 Ca -0.07 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1ddl s ALA 159 Cb -0.15 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 1ddl s ALA 159 CO 0.03 0.12 1.27 -0.65 0.00 0.00 0.00 175.76 176.54 1ddl s GLN 160 N -4.03 2.72 0.18 0.00 -1.52 -1.26 -4.83 119.66 110.92 1ddl s GLN 160 Ca 0.38 2.00 -0.13 0.00 -1.95 0.00 0.00 55.36 55.67 1ddl s GLN 160 Cb -0.09 -1.90 0.17 0.00 -0.22 0.00 0.00 33.01 30.98 1ddl s GLN 160 CO 0.29 -1.45 1.74 0.00 -0.25 0.00 0.00 175.29 175.62 1ddl h ALA 161 N 0.71 0.59 -2.64 6.09 0.00 -1.98 -3.16 119.26 118.88 1ddl h ALA 161 Ca -0.51 0.07 -0.77 0.00 0.00 0.00 0.00 54.91 53.70 1ddl h ALA 161 Cb 1.32 0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.93 1ddl h ALA 161 CO 0.54 -0.23 0.26 0.99 0.00 0.00 0.00 179.25 180.80 1ddl s THR 162 N -6.13 5.45 0.41 0.00 2.01 -1.26 -5.05 115.64 111.06 1ddl s THR 162 Ca -0.13 -2.32 -0.10 0.00 0.31 0.00 0.00 61.69 59.44 1ddl s THR 162 Cb 0.15 -4.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 1ddl s THR 162 CO 0.73 -1.13 0.77 0.00 -0.69 0.00 0.00 174.62 174.30 1ddl s ALA 163 N 0.63 3.35 0.89 7.40 0.00 -1.20 -5.06 121.76 127.77 1ddl s ALA 163 Ca 0.21 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1ddl s ALA 163 Cb -0.09 -2.70 0.13 0.00 0.00 0.00 0.00 23.12 20.46 1ddl s ALA 163 CO -0.09 -0.01 1.18 -1.25 0.00 0.00 0.00 175.76 175.59 1ddl s PRO 164 N -3.86 1.33 0.00 0.00 0.04 -1.26 -5.01 135.00 126.24 1ddl s PRO 164 Ca 0.51 0.08 0.22 0.00 0.04 0.00 0.00 61.00 61.85 1ddl s PRO 164 Cb -0.10 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.43 1ddl s PRO 164 CO 0.31 -2.03 0.99 0.25 0.04 0.00 0.00 177.00 176.57 1ddl n THR 165 N -3.61 0.00 -4.62 1.26 -2.24 -1.26 -4.64 114.28 99.17 1ddl n THR 165 Ca 0.09 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 1ddl n THR 165 Cb 0.60 1.12 -0.14 0.00 -2.10 0.00 0.00 70.33 69.81 1ddl n THR 165 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ddl s SER 166 N -2.76 3.25 0.54 3.42 0.01 -1.26 -5.06 113.70 111.84 1ddl s SER 166 Ca 0.13 -0.68 -0.21 0.00 1.31 0.00 0.00 55.95 56.50 1ddl s SER 166 Cb 0.17 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1ddl s SER 166 CO 0.73 0.21 1.27 -2.16 0.41 0.00 0.00 173.24 173.71 1ddl s PRO 167 N -1.70 3.22 0.06 12.44 0.04 -1.26 -4.66 135.00 143.13 1ddl s PRO 167 Ca 0.13 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.43 1ddl s PRO 167 Cb -0.10 -2.20 0.36 0.00 0.04 0.00 0.00 34.50 32.60 1ddl s PRO 167 CO 0.04 -1.06 1.31 0.25 0.04 0.00 0.00 177.00 177.58 1ddl n THR 168 N -1.07 0.17 -3.56 1.26 -2.24 0.34 -4.58 114.28 104.59 1ddl n THR 168 Ca 0.11 -0.15 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1ddl n THR 168 Cb 0.47 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1ddl n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddl s TYR 170 N -2.80 2.23 -0.19 0.00 1.51 0.34 -0.67 117.35 117.77 1ddl s TYR 170 Ca 0.08 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1ddl s TYR 170 Cb -0.01 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1ddl s TYR 170 CO -0.06 0.11 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.28 1ddl s LEU 171 N -1.18 3.06 0.25 -1.29 2.96 0.05 -0.60 118.68 121.92 1ddl s LEU 171 Ca 0.11 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1ddl s LEU 171 Cb -0.10 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1ddl s LEU 171 CO 0.02 0.06 0.02 0.42 -1.32 0.00 0.00 176.35 175.55 1ddl s THR 172 N 1.03 1.00 0.02 3.68 -4.23 -0.51 -0.33 115.64 116.30 1ddl s THR 172 Ca 0.01 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 58.56 1ddl s THR 172 Cb -0.15 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1ddl s THR 172 CO 0.01 -0.21 -0.18 0.27 -0.54 0.00 0.00 174.62 173.96 1ddl s ILE 173 N -3.44 1.47 0.04 2.99 -4.36 -0.21 -0.81 121.20 116.88 1ddl s ILE 173 Ca 0.32 -0.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.76 1ddl s ILE 173 Cb 0.07 -1.26 -0.02 0.00 1.25 0.00 0.00 42.46 42.49 1ddl s ILE 173 CO 0.11 0.27 -0.08 -1.58 0.24 0.00 0.00 174.94 173.90 1ddl s GLN 174 N -0.82 0.53 0.00 0.37 0.74 -0.39 -0.65 119.66 119.44 1ddl s GLN 174 Ca 0.06 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.72 1ddl s GLN 174 Cb -0.08 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.73 1ddl s GLN 174 CO 0.01 0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.21 1ddl n GLY 175 N 1.47 -1.22 2.99 2.59 0.00 -0.57 -0.98 105.19 109.47 1ddl n GLY 175 Ca -0.23 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 1ddl n GLY 175 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ddl s GLN 176 N -0.24 1.08 -0.12 1.61 -0.21 -0.84 -1.26 119.66 119.68 1ddl s GLN 176 Ca 0.00 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.11 1ddl s GLN 176 Cb 0.00 -0.99 -0.00 0.00 1.00 0.00 0.00 33.01 33.02 1ddl s GLN 176 CO 0.00 0.07 -0.21 -1.50 -2.12 0.00 0.00 175.29 171.54 1ddl s ILE 177 N 0.38 2.31 -0.16 1.08 2.07 -0.37 -0.79 121.20 125.73 1ddl s ILE 177 Ca -0.07 -0.92 -0.26 0.00 -1.41 0.00 0.00 60.65 57.99 1ddl s ILE 177 Cb -0.11 -1.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.55 1ddl s ILE 177 CO 0.01 0.55 0.88 -1.61 -1.91 0.00 0.00 174.94 172.86 1ddl s GLU 178 N 0.50 4.32 0.02 3.50 2.02 0.16 -0.92 118.70 128.30 1ddl s GLU 178 Ca -0.13 1.12 0.06 0.00 0.02 0.00 0.00 54.97 56.04 1ddl s GLU 178 Cb -0.17 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 1ddl s GLU 178 CO 0.05 -0.34 -0.17 -0.51 0.02 0.00 0.00 175.26 174.31 1ddl s LEU 179 N 2.17 2.65 0.17 1.80 1.43 0.50 -1.07 118.68 126.33 1ddl s LEU 179 Ca 0.41 -0.37 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 1ddl s LEU 179 Cb -0.17 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1ddl s LEU 179 CO 0.13 0.27 0.70 -0.94 0.23 0.00 0.00 176.35 176.75 1ddl s SER 180 N -1.31 -0.42 -0.34 2.29 1.04 -0.93 -1.85 113.70 112.19 1ddl s SER 180 Ca 0.14 -0.21 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 1ddl s SER 180 Cb -0.11 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1ddl s SER 180 CO 0.05 -1.02 0.23 -1.20 0.98 0.00 0.00 173.24 172.28 1ddl n SER 181 N -0.39 -7.62 -4.61 7.02 7.64 -1.26 -2.26 113.62 112.13 1ddl n SER 181 Ca -0.11 1.00 -0.43 0.00 1.01 0.00 0.00 58.87 60.33 1ddl n SER 181 Cb 0.62 -5.09 -0.00 0.00 -1.01 0.00 0.00 64.21 58.73 1ddl n SER 181 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1ddl n PRO 182 N 0.25 1.47 -3.90 1.43 -0.02 -1.26 -0.05 135.00 132.92 1ddl n PRO 182 Ca 0.05 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 1ddl n PRO 182 Cb 0.18 -1.99 -0.14 0.00 -0.02 0.00 0.00 33.50 31.54 1ddl n PRO 182 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ddl s LEU 183 N -0.11 3.05 -0.08 2.45 2.96 0.91 -4.63 118.68 123.24 1ddl s LEU 183 Ca 0.60 -0.33 -0.33 0.00 -0.22 0.00 0.00 54.13 53.85 1ddl s LEU 183 Cb -0.62 -1.79 -0.11 0.00 0.50 0.00 0.00 46.19 44.17 1ddl s LEU 183 CO 0.59 -0.01 1.94 0.18 -1.32 0.00 0.00 176.35 177.73 1ddl n LEU 184 N 4.76 3.57 -4.29 -0.68 4.77 -1.26 -4.71 117.00 119.16 1ddl n LEU 184 Ca -0.18 0.89 -0.15 0.00 -0.03 0.00 0.00 56.01 56.54 1ddl n LEU 184 Cb 0.51 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 1ddl n LEU 184 CO 0.30 -0.05 -0.35 -1.10 -1.33 0.00 0.00 177.39 174.86 1ddl s GLN 185 N 4.40 1.21 0.37 3.23 -1.52 -1.26 -5.13 119.66 120.95 1ddl s GLN 185 Ca 0.93 -1.58 -0.21 0.00 -1.95 0.00 0.00 55.36 52.55 1ddl s GLN 185 Cb -0.62 -0.54 -0.10 0.00 -0.22 0.00 0.00 33.01 31.53 1ddl s GLN 185 CO 0.49 -0.06 0.89 0.00 -0.25 0.00 0.00 175.29 176.36 1ddl s ALA 186 N -3.45 3.16 -0.03 6.09 0.00 -1.26 -5.00 121.76 121.28 1ddl s ALA 186 Ca 0.24 0.35 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 1ddl s ALA 186 Cb 0.05 -3.07 -0.31 0.00 0.00 0.00 0.00 23.12 19.79 1ddl s ALA 186 CO 0.05 0.19 0.94 0.66 0.00 0.00 0.00 175.76 177.60 1ddl h SER 187 N 2.42 0.53 0.00 0.00 4.64 -2.03 -3.54 113.55 115.58 1ddl h SER 187 Ca -0.48 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 59.91 1ddl h SER 187 Cb 1.18 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1ddl h SER 187 CO 0.63 1.41 0.00 -0.24 -0.87 0.00 0.00 176.83 177.77