#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 3.90 0.32 0.03 -1.05 -1.26 -5.08 118.70 115.57 1ddl s GLU 2 Ca 0.00 0.97 0.01 0.00 -0.15 0.00 0.00 54.97 55.79 1ddl s GLU 2 Cb 0.00 -2.13 -0.03 0.00 -0.44 0.00 0.00 34.13 31.53 1ddl s GLU 2 CO 0.00 -0.31 0.52 -0.65 0.95 0.00 0.00 175.26 175.77 1ddl s GLN 3 N -4.09 3.49 -0.83 -4.83 -0.21 -1.26 -5.03 119.66 106.91 1ddl s GLN 3 Ca 0.59 -0.36 0.00 0.00 0.02 0.00 0.00 55.36 55.61 1ddl s GLN 3 Cb -0.10 -2.70 0.35 0.00 1.00 0.00 0.00 33.01 31.55 1ddl s GLN 3 CO 0.32 0.20 1.66 -3.47 -2.12 0.00 0.00 175.29 171.88 1ddl n ASP 4 N -1.61 6.63 -3.62 5.90 2.03 -1.26 -4.93 116.55 119.69 1ddl n ASP 4 Ca -0.05 -3.74 -0.15 0.00 0.52 0.00 0.00 54.79 51.37 1ddl n ASP 4 Cb 0.56 -0.95 -0.07 0.00 -0.72 0.00 0.00 41.12 39.94 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 -4.02 0.86 -0.12 -0.67 2.20 -1.26 -5.14 119.74 111.59 1ddl s LYS 5 Ca 0.46 0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 56.86 1ddl s LYS 5 Cb 0.31 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 37.02 1ddl s LYS 5 CO -0.23 -0.15 -0.09 0.42 -0.36 0.00 0.00 175.35 174.94 1ddl s ILE 6 N 0.02 3.46 -0.22 5.43 1.01 -1.26 -5.10 121.20 124.54 1ddl s ILE 6 Ca -0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1ddl s ILE 6 Cb -0.04 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1ddl s ILE 6 CO 0.03 0.54 0.12 -0.76 0.00 0.00 0.00 174.94 174.86 1ddl s LEU 7 N 0.02 3.95 -0.06 2.97 1.02 -1.26 -5.08 118.68 120.24 1ddl s LEU 7 Ca -0.02 0.08 0.02 0.00 0.02 0.00 0.00 54.13 54.23 1ddl s LEU 7 Cb -0.14 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 1ddl s LEU 7 CO 0.03 0.10 -0.09 0.00 0.02 0.00 0.00 176.35 176.41 1ddl s ALA 8 N 0.84 2.89 -0.17 4.21 0.00 -1.26 -5.11 121.76 123.15 1ddl s ALA 8 Ca 0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 51.05 1ddl s ALA 8 Cb -0.13 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1ddl s ALA 8 CO 0.02 0.57 -0.03 -1.01 0.00 0.00 0.00 175.76 175.31 1ddl s HIS 9 N -0.80 3.00 -0.25 0.00 3.76 -1.26 -5.08 115.29 114.66 1ddl s HIS 9 Ca 0.13 -0.45 -0.19 0.00 -0.15 0.00 0.00 55.06 54.40 1ddl s HIS 9 Cb -0.11 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 1ddl s HIS 9 CO 0.02 -0.17 0.55 -1.14 -0.85 0.00 0.00 174.74 173.14 1ddl s GLN 10 N 0.69 4.10 0.20 1.40 0.74 -1.26 -5.02 119.66 120.51 1ddl s GLN 10 Ca -0.02 0.40 -0.32 0.00 0.05 0.00 0.00 55.36 55.47 1ddl s GLN 10 Cb -0.14 -3.64 -0.15 0.00 1.10 0.00 0.00 33.01 30.18 1ddl s GLN 10 CO 0.02 -0.34 1.26 0.00 -0.55 0.00 0.00 175.29 175.68 1ddl n ALA 11 N 5.48 0.02 -2.38 1.58 0.00 -1.26 -4.99 120.51 118.96 1ddl n ALA 11 Ca -0.03 0.44 -0.25 0.00 0.00 0.00 0.00 53.44 53.60 1ddl n ALA 11 Cb 0.50 -2.13 -0.04 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 0.09 4.65 0.33 0.00 1.04 -1.26 -5.14 113.70 113.40 1ddl s SER 12 Ca 0.70 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.98 1ddl s SER 12 Cb -0.76 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.21 1ddl s SER 12 CO 0.51 -0.77 0.55 -1.48 0.98 0.00 0.00 173.24 173.03 1ddl s LEU 13 N -4.09 0.60 -0.67 2.42 2.34 -1.26 -5.10 118.68 112.91 1ddl s LEU 13 Ca 0.39 -1.26 -0.21 0.00 0.06 0.00 0.00 54.13 53.11 1ddl s LEU 13 Cb -0.00 1.87 0.09 0.00 -0.56 0.00 0.00 46.19 47.59 1ddl s LEU 13 CO 0.23 -1.35 0.91 0.21 -1.06 0.00 0.00 176.35 175.29 1ddl s ASN 14 N -3.14 6.23 -0.10 1.48 3.84 -1.26 -4.97 114.94 117.02 1ddl s ASN 14 Ca 0.25 -1.23 -0.04 0.00 0.21 0.00 0.00 52.86 52.05 1ddl s ASN 14 Cb -0.02 -2.38 0.05 0.00 -0.55 0.00 0.00 41.25 38.35 1ddl s ASN 14 CO 0.15 -1.31 0.21 0.28 -2.79 0.00 0.00 177.10 173.64 1ddl s THR 15 N 3.54 -0.22 0.18 -5.21 -1.32 -1.26 -5.17 115.64 106.19 1ddl s THR 15 Ca 0.20 0.26 0.04 0.00 -1.21 0.00 0.00 61.69 60.98 1ddl s THR 15 Cb -0.17 -0.35 -0.05 0.00 -1.51 0.00 0.00 72.50 70.42 1ddl s THR 15 CO 0.07 0.11 -0.07 -0.54 -2.21 0.00 0.00 174.62 171.97 1ddl s LYS 16 N 1.89 1.19 0.81 7.08 1.02 -1.26 -5.15 119.74 125.32 1ddl s LYS 16 Ca -0.03 -1.55 -0.12 0.00 0.02 0.00 0.00 55.97 54.30 1ddl s LYS 16 Cb -0.12 -0.68 0.08 0.00 -0.52 0.00 0.00 37.83 36.60 1ddl s LYS 16 CO -0.07 0.03 1.10 -1.25 -0.92 0.00 0.00 175.35 174.23 1ddl s PRO 17 N -3.78 1.94 0.06 -1.68 0.04 -1.26 -5.08 135.00 125.24 1ddl s PRO 17 Ca 0.21 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 61.64 1ddl s PRO 17 Cb 0.03 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.75 1ddl s PRO 17 CO 0.04 -1.72 0.66 -1.54 0.04 0.00 0.00 177.00 174.48 1ddl s SER 18 N -3.85 -0.59 0.00 6.66 1.04 -1.26 -5.15 113.70 110.56 1ddl s SER 18 Ca 0.61 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1ddl s SER 18 Cb -0.15 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ddl s SER 18 CO 0.54 -0.79 0.00 0.18 0.98 0.00 0.00 173.24 174.15 1ddl n LEU 19 N 0.16 0.00 -4.59 2.42 4.77 -1.26 -5.13 117.00 113.37 1ddl n LEU 19 Ca -0.17 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.47 1ddl n LEU 19 Cb 0.62 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.60 1ddl n LEU 19 CO 0.17 0.00 -0.33 -0.76 -1.33 0.00 0.00 177.39 175.14 1ddl s LEU 20 N 0.00 3.42 0.95 2.23 2.01 -1.26 -5.11 118.68 120.91 1ddl s LEU 20 Ca 0.00 -0.00 -0.12 0.00 0.01 0.00 0.00 54.13 54.02 1ddl s LEU 20 Cb 0.00 -1.81 0.16 0.00 0.01 0.00 0.00 46.19 44.55 1ddl s LEU 20 CO 0.00 0.26 1.11 -2.16 1.01 0.00 0.00 176.35 176.57 1ddl s PRO 21 N -0.18 0.83 1.01 1.29 0.04 -1.26 -5.02 135.00 131.70 1ddl s PRO 21 Ca 0.04 0.43 -0.12 0.00 0.04 0.00 0.00 61.00 61.39 1ddl s PRO 21 Cb -0.13 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.82 1ddl s PRO 21 CO 0.02 -2.44 1.08 -1.25 0.04 0.00 0.00 177.00 174.46 1ddl s PRO 22 N -5.11 0.32 -0.04 0.56 0.04 -1.26 -5.01 135.00 124.50 1ddl s PRO 22 Ca 0.64 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.50 1ddl s PRO 22 Cb -0.17 -1.68 -0.21 0.00 0.04 0.00 0.00 34.50 32.49 1ddl s PRO 22 CO 0.56 -2.96 1.17 -1.00 0.04 0.00 0.00 177.00 174.81 1ddl h PRO 23 N -2.08 -0.03 0.00 0.56 0.13 -1.99 -3.46 132.00 125.13 1ddl h PRO 23 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1ddl h PRO 23 Cb 1.30 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ddl h PRO 23 CO 0.49 0.51 0.00 1.33 -0.23 0.00 0.00 178.00 180.10 1ddl n VAL 24 N -4.84 0.00 -0.50 1.56 0.24 -1.26 -4.23 118.33 109.31 1ddl n VAL 24 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1ddl n VAL 24 Cb 0.28 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1ddl n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ddl n GLY 25 N 0.00 0.23 0.00 7.63 0.00 -1.26 -5.06 105.19 106.73 1ddl n GLY 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ddl n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ddl n ASN 26 N 0.00 0.00 -4.70 1.61 5.03 -1.26 -5.01 115.26 110.93 1ddl n ASN 26 Ca 0.00 0.00 -0.59 0.00 0.87 0.00 0.00 54.58 54.86 1ddl n ASN 26 Cb 0.12 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.80 1ddl n ASN 26 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1ddl n PRO 27 N 0.00 0.92 -1.66 3.52 -0.02 -1.26 -4.84 135.00 131.66 1ddl n PRO 27 Ca 0.00 0.34 -0.40 0.00 -2.02 0.00 0.00 63.50 61.42 1ddl n PRO 27 Cb 0.00 -1.98 0.02 0.00 -0.02 0.00 0.00 33.50 31.52 1ddl n PRO 27 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ddl n PRO 28 N 4.66 1.48 -2.04 0.52 -0.02 -1.26 -4.93 135.00 133.41 1ddl n PRO 28 Ca 0.26 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1ddl n PRO 28 Cb 0.10 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 1ddl n PRO 28 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ddl s PRO 29 N -2.34 4.29 -0.09 0.52 0.04 -1.26 -5.00 135.00 131.17 1ddl s PRO 29 Ca 0.66 2.28 0.04 0.00 0.04 0.00 0.00 61.00 64.02 1ddl s PRO 29 Cb -0.49 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1ddl s PRO 29 CO 0.54 -0.34 -0.21 0.08 0.04 0.00 0.00 177.00 177.12 1ddl s VAL 30 N -0.53 2.42 0.11 -0.36 1.01 -1.26 -4.49 120.40 117.30 1ddl s VAL 30 Ca 0.55 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1ddl s VAL 30 Cb -0.41 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1ddl s VAL 30 CO 0.48 0.56 -0.15 -0.51 0.00 0.00 0.00 175.10 175.48 1ddl s ILE 31 N 0.03 3.03 -0.17 2.22 2.07 -0.26 -4.93 121.20 123.19 1ddl s ILE 31 Ca -0.08 -1.41 -0.04 0.00 -1.41 0.00 0.00 60.65 57.72 1ddl s ILE 31 Cb -0.15 -2.40 -0.03 0.00 0.13 0.00 0.00 42.46 40.02 1ddl s ILE 31 CO 0.05 0.11 -0.04 -0.55 -1.91 0.00 0.00 174.94 172.61 1ddl s SER 32 N -2.14 4.74 -0.06 4.50 0.15 -1.26 0.24 113.70 119.87 1ddl s SER 32 Ca 0.19 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.72 1ddl s SER 32 Cb -0.11 -1.78 -0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1ddl s SER 32 CO 0.11 0.14 -0.21 -0.47 1.20 0.00 0.00 173.24 174.01 1ddl s TYR 33 N 0.54 2.11 0.30 3.44 5.04 0.63 -4.90 117.35 124.51 1ddl s TYR 33 Ca -0.03 -0.70 -0.10 0.00 -2.44 0.00 0.00 57.07 53.81 1ddl s TYR 33 Cb -0.14 -1.41 -0.07 0.00 0.35 0.00 0.00 41.96 40.68 1ddl s TYR 33 CO 0.03 -0.25 0.64 -1.25 -1.34 0.00 0.00 175.55 173.38 1ddl s PRO 34 N 0.11 3.80 0.08 4.97 0.04 -1.26 -0.04 135.00 142.69 1ddl s PRO 34 Ca -0.08 0.34 -0.20 0.00 0.04 0.00 0.00 61.00 61.10 1ddl s PRO 34 Cb -0.14 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 31.90 1ddl s PRO 34 CO 0.04 0.17 0.47 -0.59 0.04 0.00 0.00 177.00 177.14 1ddl s PHE 35 N -2.05 -0.34 -0.14 0.56 -0.71 -0.18 -4.96 117.98 110.16 1ddl s PHE 35 Ca 0.49 0.23 -0.05 0.00 -1.04 0.00 0.00 56.93 56.56 1ddl s PHE 35 Cb -0.11 0.31 0.07 0.00 -1.21 0.00 0.00 43.02 42.09 1ddl s PHE 35 CO 0.25 -0.67 0.27 -1.14 -1.34 0.00 0.00 175.22 172.59 1ddl s GLN 36 N -3.00 0.16 -0.08 1.99 0.74 -1.26 -2.00 119.66 116.22 1ddl s GLN 36 Ca -0.02 0.74 0.03 0.00 0.05 0.00 0.00 55.36 56.16 1ddl s GLN 36 Cb 0.00 -0.07 0.01 0.00 1.10 0.00 0.00 33.01 34.05 1ddl s GLN 36 CO -0.06 -0.31 -0.16 0.42 -0.55 0.00 0.00 175.29 174.63 1ddl s ILE 37 N 2.43 1.45 -0.28 -2.34 1.01 -0.21 -4.98 121.20 118.29 1ddl s ILE 37 Ca 0.02 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.73 1ddl s ILE 37 Cb -0.12 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1ddl s ILE 37 CO -0.09 0.43 0.95 -0.89 0.00 0.00 0.00 174.94 175.33 1ddl s THR 38 N 0.55 4.68 -0.01 2.92 2.01 -1.26 -1.37 115.64 123.17 1ddl s THR 38 Ca -0.16 1.63 0.06 0.00 0.31 0.00 0.00 61.69 63.53 1ddl s THR 38 Cb -0.17 -4.27 -0.24 0.00 0.01 0.00 0.00 72.50 67.84 1ddl s THR 38 CO 0.06 -0.27 0.79 -0.07 -0.69 0.00 0.00 174.62 174.43 1ddl h LEU 39 N 9.61 0.12 -7.00 4.42 3.38 -1.16 -3.49 115.31 121.19 1ddl h LEU 39 Ca -0.22 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1ddl h LEU 39 Cb 1.08 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.60 1ddl h LEU 39 CO 0.95 1.18 0.40 0.00 0.09 0.00 0.00 178.44 181.06 1ddl s ALA 40 N -2.62 -1.83 -0.33 1.53 0.00 -1.02 -5.00 121.76 112.49 1ddl s ALA 40 Ca -0.06 1.27 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 1ddl s ALA 40 Cb 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.16 1ddl s ALA 40 CO 0.82 -0.46 0.08 -1.12 0.00 0.00 0.00 175.76 175.08 1ddl s SER 41 N -1.62 5.20 0.41 0.00 0.01 -1.26 -0.89 113.70 115.54 1ddl s SER 41 Ca -0.02 -1.15 0.08 0.00 1.31 0.00 0.00 55.95 56.16 1ddl s SER 41 Cb -0.01 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.38 1ddl s SER 41 CO -0.00 -0.30 0.42 -0.76 0.41 0.00 0.00 173.24 173.00 1ddl s LEU 42 N 1.37 3.47 0.00 2.44 1.43 -0.28 -4.75 118.68 122.35 1ddl s LEU 42 Ca -0.02 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1ddl s LEU 42 Cb -0.19 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1ddl s LEU 42 CO 0.02 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.55 1ddl n GLY 43 N -1.61 0.07 0.02 -3.19 0.00 -1.26 -0.60 105.19 98.62 1ddl n GLY 43 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.97 0.07 -3.52 2.61 -2.24 -1.26 -4.39 114.28 103.58 1ddl n THR 44 Ca 0.00 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1ddl n THR 44 Cb 0.00 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -3.34 0.83 0.63 -0.78 -1.05 -1.26 -4.78 118.70 108.95 1ddl s GLU 45 Ca -0.02 -0.15 -0.19 0.00 -0.15 0.00 0.00 54.97 54.46 1ddl s GLU 45 Cb 0.14 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1ddl s GLU 45 CO 0.88 -0.33 1.28 -0.25 0.95 0.00 0.00 175.26 177.79 1ddl n ASP 46 N 0.09 2.10 -3.74 0.83 8.00 -1.26 -4.52 116.55 118.05 1ddl n ASP 46 Ca -0.11 0.85 -0.13 0.00 0.71 0.00 0.00 54.79 56.12 1ddl n ASP 46 Cb 0.61 -1.55 -0.08 0.00 -0.02 0.00 0.00 41.12 40.08 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 -1.37 -0.81 -0.28 2.24 0.00 -0.60 -4.99 121.76 115.95 1ddl s ALA 47 Ca 0.80 0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.84 1ddl s ALA 47 Cb -0.39 0.17 0.08 0.00 0.00 0.00 0.00 23.12 22.99 1ddl s ALA 47 CO 0.42 -0.33 0.74 0.00 0.00 0.00 0.00 175.76 176.59 1ddl s ALA 48 N -1.80 -1.89 0.28 0.00 0.00 -1.26 0.16 121.76 117.25 1ddl s ALA 48 Ca -0.10 2.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.96 1ddl s ALA 48 Cb -0.03 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.72 1ddl s ALA 48 CO 0.02 -0.36 0.64 0.34 0.00 0.00 0.00 175.76 176.40 1ddl s ASP 49 N 1.20 -0.15 -0.09 0.00 2.15 -0.78 -5.02 116.67 113.99 1ddl s ASP 49 Ca -0.07 -0.78 0.01 0.00 0.43 0.00 0.00 52.55 52.14 1ddl s ASP 49 Cb -0.05 0.69 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 1ddl s ASP 49 CO -0.13 -1.31 -0.08 -0.94 -0.17 0.00 0.00 175.17 172.54 1ddl s SER 50 N -2.97 1.92 -0.28 -0.34 1.04 -1.26 -2.05 113.70 109.75 1ddl s SER 50 Ca 0.16 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 1ddl s SER 50 Cb -0.04 -0.79 0.03 0.00 0.10 0.00 0.00 66.02 65.32 1ddl s SER 50 CO 0.08 -0.07 0.01 -0.69 0.98 0.00 0.00 173.24 173.56 1ddl s VAL 51 N 1.32 3.31 -0.39 5.02 1.01 0.09 -4.97 120.40 125.79 1ddl s VAL 51 Ca -0.03 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 1ddl s VAL 51 Cb -0.14 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.50 1ddl s VAL 51 CO -0.04 0.05 0.77 -0.55 0.00 0.00 0.00 175.10 175.34 1ddl s SER 52 N 1.37 6.50 0.30 3.32 0.15 -1.26 -0.51 113.70 123.56 1ddl s SER 52 Ca -0.01 0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.89 1ddl s SER 52 Cb -0.18 -2.39 0.61 0.00 -1.71 0.00 0.00 66.02 62.36 1ddl s SER 52 CO -0.01 -0.77 1.84 0.40 1.20 0.00 0.00 173.24 175.90 1ddl h ILE 53 N 5.81 0.89 0.00 6.45 1.08 -1.55 -0.85 117.51 129.34 1ddl h ILE 53 Ca -0.25 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.90 1ddl h ILE 53 Cb 1.09 -0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1ddl h ILE 53 CO 0.92 0.17 0.00 0.00 -0.69 0.00 0.00 178.15 178.55 1ddl n ALA 54 N -2.36 1.54 0.40 1.87 0.00 -1.26 -2.69 120.51 118.00 1ddl n ALA 54 Ca 0.19 0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.69 1ddl n ALA 54 Cb 0.39 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.59 1ddl n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ddl n SER 55 N -1.80 1.39 -4.67 0.00 7.64 -0.36 -4.96 113.62 110.86 1ddl n SER 55 Ca 0.02 -1.20 -0.42 0.00 1.01 0.00 0.00 58.87 58.29 1ddl n SER 55 Cb 0.16 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1ddl n SER 55 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ddl s ASN 56 N -1.09 6.46 0.19 6.43 3.84 -0.98 -4.90 114.94 124.89 1ddl s ASN 56 Ca 0.09 2.67 -0.15 0.00 0.21 0.00 0.00 52.86 55.68 1ddl s ASN 56 Cb 0.08 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.40 1ddl s ASN 56 CO 0.19 -1.03 1.65 0.28 -2.79 0.00 0.00 177.10 175.40 1ddl h SER 57 N 9.77 -0.49 0.10 -4.21 0.02 -1.93 -0.26 113.55 116.55 1ddl h SER 57 Ca -0.48 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1ddl h SER 57 Cb 1.23 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1ddl h SER 57 CO 0.94 -0.17 -0.05 0.58 -1.14 0.00 0.00 176.83 176.99 1ddl h VAL 58 N -0.00 1.06 -0.46 2.27 2.07 -1.99 -2.89 116.25 116.32 1ddl h VAL 58 Ca 0.25 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ddl h VAL 58 Cb 0.38 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1ddl h VAL 58 CO -0.54 0.15 0.28 0.25 0.02 0.00 0.00 177.57 177.73 1ddl h LEU 59 N -0.43 0.54 -2.50 2.57 5.85 -1.88 -1.50 115.31 117.96 1ddl h LEU 59 Ca -0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1ddl h LEU 59 Cb 0.36 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ddl h LEU 59 CO 0.02 0.41 -0.02 0.00 -0.34 0.00 0.00 178.44 178.51 1ddl h ALA 60 N 1.68 1.24 0.00 1.25 0.00 -0.86 -0.77 119.26 121.80 1ddl h ALA 60 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ddl h ALA 60 Cb -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ddl h ALA 60 CO -0.03 0.03 -0.09 1.79 0.00 0.00 0.00 179.25 180.94 1ddl h THR 61 N 0.00 0.32 0.15 0.00 1.35 -1.07 -0.18 112.91 113.49 1ddl h THR 61 Ca -0.00 -0.58 -0.35 0.00 -0.55 0.00 0.00 66.41 64.93 1ddl h THR 61 Cb 0.10 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1ddl h THR 61 CO 0.00 0.09 -1.79 1.88 -0.25 0.00 0.00 175.52 175.45 1ddl h TYR 62 N 0.00 0.59 0.00 4.73 -1.99 -1.28 -3.36 116.97 115.66 1ddl h TYR 62 Ca -0.00 -0.43 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1ddl h TYR 62 Cb 0.43 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.14 1ddl h TYR 62 CO 0.00 1.70 0.00 0.25 -0.00 0.00 0.00 178.16 180.11 1ddl n THR 63 N -3.61 0.42 0.30 -2.88 -2.24 -1.10 -3.67 114.28 101.48 1ddl n THR 63 Ca -0.28 -0.13 0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1ddl n THR 63 Cb 1.04 -0.61 0.92 0.00 -2.10 0.00 0.00 70.33 69.58 1ddl n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddl h ALA 64 N 2.67 1.47 -0.01 6.98 0.00 -1.18 -1.56 119.26 127.63 1ddl h ALA 64 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ddl h ALA 64 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ddl h ALA 64 CO 0.00 0.02 -0.02 1.28 0.00 0.00 0.00 179.25 180.53 1ddl n LEU 65 N -3.78 1.03 -4.31 0.00 4.77 -1.24 -4.78 117.00 108.68 1ddl n LEU 65 Ca -0.03 -0.33 -0.17 0.00 -0.03 0.00 0.00 56.01 55.45 1ddl n LEU 65 Cb 0.10 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1ddl n LEU 65 CO 0.27 0.17 -0.41 -0.31 -1.33 0.00 0.00 177.39 175.79 1ddl s TYR 66 N -2.05 1.53 -0.14 -1.77 1.51 -0.59 -0.39 117.35 115.45 1ddl s TYR 66 Ca 0.40 -0.70 0.20 0.00 -1.01 0.00 0.00 57.07 55.95 1ddl s TYR 66 Cb 0.21 -0.78 -0.16 0.00 -0.11 0.00 0.00 41.96 41.13 1ddl s TYR 66 CO 0.36 0.19 0.71 0.54 -1.11 0.00 0.00 175.55 176.25 1ddl n ARG 67 N -0.33 0.63 -4.59 -0.62 1.74 0.18 -4.67 116.66 109.00 1ddl n ARG 67 Ca -0.08 0.08 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 1ddl n ARG 67 Cb 0.61 -1.72 -0.16 0.00 -1.02 0.00 0.00 32.46 30.17 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 -3.12 1.42 -0.07 -1.55 2.46 -0.98 -3.20 115.29 110.25 1ddl s HIS 68 Ca -0.04 -0.49 -0.03 0.00 0.47 0.00 0.00 55.06 54.97 1ddl s HIS 68 Cb 0.10 -1.03 0.04 0.00 -0.13 0.00 0.00 32.58 31.56 1ddl s HIS 68 CO 0.83 -0.24 0.14 0.00 -2.47 0.00 0.00 174.74 173.00 1ddl s ALA 69 N 0.53 -0.14 -0.06 1.58 0.00 -0.04 -1.97 121.76 121.66 1ddl s ALA 69 Ca -0.12 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1ddl s ALA 69 Cb -0.14 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1ddl s ALA 69 CO 0.03 -0.42 -0.09 -1.14 0.00 0.00 0.00 175.76 174.14 1ddl s GLN 70 N 1.91 1.36 0.19 0.00 0.74 -0.39 -1.85 119.66 121.62 1ddl s GLN 70 Ca -0.01 -0.28 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 1ddl s GLN 70 Cb -0.12 -1.22 -0.09 0.00 1.10 0.00 0.00 33.01 32.68 1ddl s GLN 70 CO -0.05 -0.05 1.33 -0.51 -0.55 0.00 0.00 175.29 175.46 1ddl s LEU 71 N 0.90 4.41 -0.17 3.68 1.43 0.02 -0.17 118.68 128.77 1ddl s LEU 71 Ca -0.11 2.40 -0.06 0.00 -1.03 0.00 0.00 54.13 55.34 1ddl s LEU 71 Cb -0.15 -3.61 -0.22 0.00 0.03 0.00 0.00 46.19 42.24 1ddl s LEU 71 CO 0.01 -0.56 0.15 1.17 0.23 0.00 0.00 176.35 177.35 1ddl n LYS 72 N 2.85 0.71 -3.79 1.70 4.81 0.08 -4.88 118.16 119.64 1ddl n LYS 72 Ca 0.07 0.25 -0.13 0.00 -0.87 0.00 0.00 58.31 57.64 1ddl n LYS 72 Cb 0.43 -1.65 -0.09 0.00 0.02 0.00 0.00 35.03 33.74 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 -0.12 -0.26 5.64 5.04 -1.23 -4.98 115.29 116.85 1ddl s HIS 73 Ca -0.27 0.15 -0.19 0.00 -1.54 0.00 0.00 55.06 53.21 1ddl s HIS 73 Cb 0.08 0.06 0.07 0.00 0.04 0.00 0.00 32.58 32.83 1ddl s HIS 73 CO 0.69 -0.38 0.67 -1.17 -2.34 0.00 0.00 174.74 172.21 1ddl s LEU 74 N -1.42 -0.75 0.12 8.88 2.96 -1.26 -2.80 118.68 124.41 1ddl s LEU 74 Ca -0.13 1.42 -0.14 0.00 -0.22 0.00 0.00 54.13 55.06 1ddl s LEU 74 Cb -0.05 2.30 0.02 0.00 0.50 0.00 0.00 46.19 48.96 1ddl s LEU 74 CO 0.03 -0.24 0.35 -1.59 -1.32 0.00 0.00 176.35 173.58 1ddl s LYS 75 N 1.10 1.03 0.09 1.98 -2.85 -0.27 -1.05 119.74 119.77 1ddl s LYS 75 Ca -0.06 -0.79 0.04 0.00 -1.00 0.00 0.00 55.97 54.16 1ddl s LYS 75 Cb -0.05 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1ddl s LYS 75 CO -0.11 -0.39 0.03 0.00 0.10 0.00 0.00 175.35 174.98 1ddl s ALA 76 N -3.83 3.38 -0.02 0.59 0.00 -0.42 -0.97 121.76 120.49 1ddl s ALA 76 Ca 0.04 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1ddl s ALA 76 Cb 0.03 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1ddl s ALA 76 CO -0.11 0.70 0.06 0.99 0.00 0.00 0.00 175.76 177.40 1ddl s THR 77 N -1.36 -0.02 -0.24 0.00 2.01 0.79 -1.04 115.64 115.79 1ddl s THR 77 Ca 0.27 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 1ddl s THR 77 Cb -0.12 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1ddl s THR 77 CO 0.20 0.03 0.06 -0.63 -0.69 0.00 0.00 174.62 173.58 1ddl s ILE 78 N 0.36 4.30 -0.34 1.82 1.01 -0.22 -1.00 121.20 127.14 1ddl s ILE 78 Ca -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1ddl s ILE 78 Cb -0.04 -3.00 0.07 0.00 0.01 0.00 0.00 42.46 39.51 1ddl s ILE 78 CO -0.01 0.36 0.07 -1.00 0.00 0.00 0.00 174.94 174.36 1ddl s HIS 79 N 1.40 3.41 0.54 3.97 3.76 0.52 -1.88 115.29 127.02 1ddl s HIS 79 Ca 0.05 -2.13 -0.22 0.00 -0.15 0.00 0.00 55.06 52.61 1ddl s HIS 79 Cb -0.15 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.96 1ddl s HIS 79 CO 0.03 -0.87 1.33 -2.30 -0.85 0.00 0.00 174.74 172.08 1ddl n PRO 80 N 4.58 1.65 -3.66 8.40 -0.02 -1.26 -1.26 135.00 143.43 1ddl n PRO 80 Ca -0.08 0.61 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 1ddl n PRO 80 Cb 0.43 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1ddl n PRO 80 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ddl n THR 81 N -1.04 0.00 0.19 3.45 -2.24 0.47 -4.89 114.28 110.21 1ddl n THR 81 Ca 0.10 -1.74 0.02 0.00 -2.27 0.00 0.00 64.05 60.16 1ddl n THR 81 Cb 0.44 0.12 0.10 0.00 -2.10 0.00 0.00 70.33 68.90 1ddl n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ddl n TYR 82 N -1.22 0.00 0.92 4.78 -0.00 -1.26 -1.40 117.16 118.98 1ddl n TYR 82 Ca -0.09 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 57.91 1ddl n TYR 82 Cb 0.48 -0.36 -0.02 0.00 -0.00 0.00 0.00 39.34 39.45 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 -1.36 1.25 -0.14 -3.48 2.81 -1.26 -4.49 117.12 110.45 1ddl n MET 83 Ca 0.02 -0.83 -0.11 0.00 -1.81 0.00 0.00 57.70 54.97 1ddl n MET 83 Cb 0.04 -1.42 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 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 3.47 0.56 -0.99 3.04 0.00 -1.37 -2.55 119.26 121.42 1ddl h ALA 84 Ca 0.00 -0.31 0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ddl h ALA 84 Cb 0.67 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1ddl h ALA 84 CO 0.00 0.43 0.62 -1.35 0.00 0.00 0.00 179.25 178.94 1ddl h PRO 85 N 0.60 0.80 0.00 0.00 0.11 -1.79 -2.75 132.00 128.97 1ddl h PRO 85 Ca 0.10 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1ddl h PRO 85 Cb 0.61 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1ddl h PRO 85 CO 0.04 0.53 -1.04 1.17 -0.21 0.00 0.00 178.00 178.49 1ddl n LYS 86 N -4.67 0.46 -3.58 1.05 4.81 -1.21 -2.51 118.16 112.51 1ddl n LYS 86 Ca 0.21 0.05 -0.27 0.00 -0.87 0.00 0.00 58.31 57.42 1ddl n LYS 86 Cb 0.48 -1.70 -0.10 0.00 0.02 0.00 0.00 35.03 33.73 1ddl n LYS 86 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ddl n TYR 87 N -2.32 1.66 -1.58 5.64 4.02 -0.96 -4.96 117.16 118.66 1ddl n TYR 87 Ca 0.01 -3.90 -0.46 0.00 -0.01 0.00 0.00 57.90 53.54 1ddl n TYR 87 Cb 0.50 -0.32 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 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 1.95 1.28 -4.35 -0.72 -0.02 -1.23 -4.69 135.00 127.23 1ddl n PRO 88 Ca 0.25 0.45 -0.19 0.00 -2.02 0.00 0.00 63.50 61.99 1ddl n PRO 88 Cb 0.42 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.72 0.88 -0.14 3.45 2.01 0.12 -4.41 115.64 116.83 1ddl s THR 89 Ca 0.64 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 1ddl s THR 89 Cb -0.75 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1ddl s THR 89 CO 0.57 0.06 0.20 -0.44 -0.69 0.00 0.00 174.62 174.33 1ddl s SER 90 N -0.75 6.40 -0.05 3.53 0.01 -0.75 -0.41 113.70 121.67 1ddl s SER 90 Ca 0.01 0.46 -0.01 0.00 1.31 0.00 0.00 55.95 57.73 1ddl s SER 90 Cb -0.06 -2.12 0.03 0.00 0.21 0.00 0.00 66.02 64.07 1ddl s SER 90 CO 0.00 0.26 0.01 -0.69 0.41 0.00 0.00 173.24 173.23 1ddl s VAL 91 N -0.26 0.24 0.00 3.43 1.01 -0.51 -1.44 120.40 122.86 1ddl s VAL 91 Ca 0.14 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1ddl s VAL 91 Cb -0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1ddl s VAL 91 CO 0.03 0.21 -0.22 0.00 0.00 0.00 0.00 175.10 175.12 1ddl s ALA 92 N 1.68 1.85 0.11 5.51 0.00 0.46 -0.06 121.76 131.30 1ddl s ALA 92 Ca -0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 1ddl s ALA 92 Cb -0.13 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.60 1ddl s ALA 92 CO -0.03 0.45 0.51 -0.48 0.00 0.00 0.00 175.76 176.20 1ddl s LEU 93 N -0.71 -0.11 -0.03 0.00 0.05 -0.30 -0.95 118.68 116.64 1ddl s LEU 93 Ca 0.09 -0.04 -0.24 0.00 0.05 0.00 0.00 54.13 53.98 1ddl s LEU 93 Cb -0.09 2.21 0.05 0.00 -2.05 0.00 0.00 46.19 46.32 1ddl s LEU 93 CO -0.00 -0.85 0.53 0.54 -0.55 0.00 0.00 176.35 176.02 1ddl s VAL 94 N -3.36 0.02 -0.20 1.48 0.11 -0.78 -1.97 120.40 115.71 1ddl s VAL 94 Ca -0.00 -0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 58.78 1ddl s VAL 94 Cb 0.00 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1ddl s VAL 94 CO -0.09 -0.11 0.06 0.26 -3.33 0.00 0.00 175.10 171.89 1ddl s TRP 95 N -1.32 3.18 0.10 1.54 0.52 -1.26 -1.31 118.94 120.39 1ddl s TRP 95 Ca -0.12 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 55.95 1ddl s TRP 95 Cb -0.02 -2.11 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 1ddl s TRP 95 CO 0.07 0.01 -0.05 0.14 0.02 0.00 0.00 176.95 177.14 1ddl s VAL 96 N 0.67 0.65 0.54 4.03 -7.23 -0.27 -4.98 120.40 113.81 1ddl s VAL 96 Ca 0.03 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.06 1ddl s VAL 96 Cb -0.13 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1ddl s VAL 96 CO 0.02 -0.84 1.28 -2.84 -0.31 0.00 0.00 175.10 172.41 1ddl s PRO 97 N -3.85 3.20 0.63 4.82 0.02 -1.26 -0.51 135.00 138.05 1ddl s PRO 97 Ca 0.13 2.04 0.35 0.00 0.02 0.00 0.00 61.00 63.54 1ddl s PRO 97 Cb 0.06 -2.20 2.02 0.00 0.02 0.00 0.00 34.50 34.40 1ddl s PRO 97 CO -0.04 -1.08 2.24 0.00 -0.33 0.00 0.00 177.00 177.79 1ddl h ALA 98 N 1.42 1.36 -0.16 -1.55 0.00 -0.22 -1.15 119.26 118.95 1ddl h ALA 98 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ddl h ALA 98 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ddl h ALA 98 CO 0.57 -0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.00 1ddl n ASN 99 N -3.45 1.39 -4.77 0.00 6.94 -0.90 -4.89 115.26 109.58 1ddl n ASN 99 Ca -0.02 -1.70 -0.37 0.00 -0.02 0.00 0.00 54.58 52.47 1ddl n ASN 99 Cb 0.15 -0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 37.46 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 -1.49 6.37 0.00 0.53 0.15 -0.44 -4.93 113.70 113.88 1ddl s SER 100 Ca 0.30 2.25 0.24 0.00 0.70 0.00 0.00 55.95 59.44 1ddl s SER 100 Cb 0.16 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.59 1ddl s SER 100 CO 0.24 -0.78 1.55 0.35 1.20 0.00 0.00 173.24 175.80 1ddl n THR 101 N -0.29 0.17 -2.06 6.45 -2.24 -1.26 -4.93 114.28 110.10 1ddl n THR 101 Ca 0.06 -0.39 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 1ddl n THR 101 Cb 0.48 0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.83 3.28 0.35 6.98 0.00 -1.26 -5.04 121.76 124.23 1ddl s ALA 102 Ca 0.34 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.62 1ddl s ALA 102 Cb 0.20 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1ddl s ALA 102 CO 0.30 -0.80 0.10 0.95 0.00 0.00 0.00 175.76 176.31 1ddl s THR 103 N -1.26 2.83 0.56 0.00 -4.23 -1.26 -5.02 115.64 107.26 1ddl s THR 103 Ca 0.56 -1.78 0.27 0.00 -1.18 0.00 0.00 61.69 59.56 1ddl s THR 103 Cb -0.38 -2.92 0.38 0.00 1.34 0.00 0.00 72.50 70.92 1ddl s THR 103 CO 0.49 -0.17 1.99 0.77 -0.54 0.00 0.00 174.62 177.16 1ddl h SER 104 N 1.62 0.00 -0.06 3.99 4.64 -1.88 -0.07 113.55 121.79 1ddl h SER 104 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1ddl h SER 104 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ddl h SER 104 CO 0.65 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.96 1ddl n THR 105 N -4.02 0.07 -1.44 2.95 -2.24 -1.26 -3.81 114.28 104.53 1ddl n THR 105 Ca 0.07 -0.15 0.03 0.00 -2.27 0.00 0.00 64.05 61.73 1ddl n THR 105 Cb 0.56 0.01 0.20 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.31 1.73 -0.08 -0.78 6.02 -0.04 -4.80 117.38 119.12 1ddl n GLN 106 Ca 0.17 -3.14 -0.07 0.00 -0.01 0.00 0.00 57.00 53.95 1ddl n GLN 106 Cb 0.20 -1.69 -0.00 0.00 1.02 0.00 0.00 30.24 29.77 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 0.92 0.85 0.00 5.09 2.07 -1.69 -1.23 116.25 122.25 1ddl h VAL 107 Ca 0.08 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1ddl h VAL 107 Cb 1.27 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ddl h VAL 107 CO 0.15 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1ddl n LEU 108 N -5.10 0.00 -1.34 2.57 4.77 -1.26 -2.18 117.00 114.45 1ddl n LEU 108 Ca -0.00 0.28 0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1ddl n LEU 108 Cb 0.13 -0.28 0.31 0.00 -2.33 0.00 0.00 43.42 41.25 1ddl n LEU 108 CO 0.26 -0.11 0.77 0.47 -1.33 0.00 0.00 177.39 177.46 1ddl n ASP 109 N -1.28 4.41 -4.25 -1.43 8.00 -0.47 -4.90 116.55 116.63 1ddl n ASP 109 Ca 0.09 -2.52 -0.32 0.00 0.71 0.00 0.00 54.79 52.75 1ddl n ASP 109 Cb 0.15 -0.53 -0.17 0.00 -0.02 0.00 0.00 41.12 40.55 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 -1.97 2.19 -0.20 -3.53 2.01 -0.93 -5.07 115.64 108.14 1ddl s THR 110 Ca 0.46 -0.98 -0.38 0.00 0.31 0.00 0.00 61.69 61.10 1ddl s THR 110 Cb 0.31 -1.84 -0.14 0.00 0.01 0.00 0.00 72.50 70.84 1ddl s THR 110 CO 0.20 0.56 1.80 0.00 -0.69 0.00 0.00 174.62 176.49 1ddl n TYR 111 N 3.43 2.17 0.00 4.92 9.36 -1.26 -0.59 117.16 135.19 1ddl n TYR 111 Ca -0.19 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.35 1ddl n TYR 111 Cb 0.53 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 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 4.28 0.82 3.66 2.98 0.00 -1.26 -5.01 105.19 110.66 1ddl n GLY 112 Ca 0.25 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 1ddl n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ddl n GLY 113 N -2.00 0.75 3.43 -0.02 0.00 0.24 -4.91 105.19 102.68 1ddl n GLY 113 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 1ddl n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ddl s LEU 114 N 0.16 2.51 -0.08 0.99 1.43 -0.83 -4.81 118.68 118.05 1ddl s LEU 114 Ca 0.69 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1ddl s LEU 114 Cb -0.66 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1ddl s LEU 114 CO 0.49 0.22 -0.04 -2.28 0.23 0.00 0.00 176.35 174.98 1ddl s HIS 115 N -0.99 0.95 0.18 0.29 2.46 -1.26 -1.15 115.29 115.77 1ddl s HIS 115 Ca 0.15 -0.35 0.11 0.00 0.47 0.00 0.00 55.06 55.44 1ddl s HIS 115 Cb -0.10 -0.90 -0.04 0.00 -0.13 0.00 0.00 32.58 31.40 1ddl s HIS 115 CO 0.06 -0.34 -0.22 -0.06 -2.47 0.00 0.00 174.74 171.71 1ddl s PHE 116 N 1.58 2.37 -0.37 3.88 0.40 0.91 -4.98 117.98 121.77 1ddl s PHE 116 Ca 0.00 -0.34 -0.09 0.00 -0.60 0.00 0.00 56.93 55.91 1ddl s PHE 116 Cb -0.13 -1.19 0.04 0.00 0.51 0.00 0.00 43.02 42.25 1ddl s PHE 116 CO -0.04 0.47 0.18 0.00 0.70 0.00 0.00 175.22 176.53 1ddl s ILE 118 N 1.47 5.35 0.00 0.00 -1.09 0.45 -4.93 121.20 122.44 1ddl s ILE 118 Ca 0.01 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1ddl s ILE 118 Cb -0.20 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1ddl s ILE 118 CO 0.04 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 1ddl n GLY 119 N 3.59 -0.95 0.00 6.18 0.00 -1.26 0.12 105.19 112.87 1ddl n GLY 119 Ca -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.06 1.28 5.00 -0.02 0.00 -1.09 -4.58 105.19 104.71 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 0.00 0.00 0.14 1.61 7.64 -1.04 -2.54 113.62 119.43 1ddl n SER 121 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1ddl n SER 121 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1ddl n SER 121 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1ddl h VAL 122 N 0.00 0.88 -1.60 0.44 -1.51 -1.92 -3.46 116.25 109.08 1ddl h VAL 122 Ca 0.00 -2.22 -0.01 0.00 -1.23 0.00 0.00 66.70 63.24 1ddl h VAL 122 Cb 0.00 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1ddl h VAL 122 CO 0.00 0.50 0.00 -3.20 -1.23 0.00 0.00 177.57 173.64 1ddl n ASN 123 N -3.24 -0.89 -4.34 4.19 4.05 -1.05 -5.07 115.26 108.91 1ddl n ASN 123 Ca 0.02 -0.58 -0.29 0.00 0.45 0.00 0.00 54.58 54.18 1ddl n ASN 123 Cb 0.73 -0.02 -0.14 0.00 1.23 0.00 0.00 39.78 41.58 1ddl n ASN 123 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1ddl s SER 124 N -1.50 3.05 -0.27 1.20 0.01 -1.26 -4.93 113.70 109.99 1ddl s SER 124 Ca 0.01 -0.62 0.10 0.00 1.31 0.00 0.00 55.95 56.75 1ddl s SER 124 Cb -0.00 -0.25 0.49 0.00 0.21 0.00 0.00 66.02 66.47 1ddl s SER 124 CO 0.01 0.21 1.43 1.33 0.41 0.00 0.00 173.24 176.63 1ddl n VAL 125 N 1.54 2.49 -2.45 3.43 0.24 -1.26 -4.09 118.33 118.22 1ddl n VAL 125 Ca -0.17 -2.73 -0.40 0.00 -2.04 0.00 0.00 64.34 59.00 1ddl n VAL 125 Cb 0.52 -0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 1ddl n VAL 125 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1ddl s LYS 126 N -3.21 4.55 0.71 7.34 1.02 -1.26 -4.58 119.74 124.32 1ddl s LYS 126 Ca 0.43 1.81 -0.14 0.00 0.02 0.00 0.00 55.97 58.09 1ddl s LYS 126 Cb 0.40 -3.10 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1ddl s LYS 126 CO -0.00 0.13 1.15 -2.14 -0.92 0.00 0.00 175.35 173.57 1ddl s PRO 127 N -1.60 2.36 -0.05 -1.68 0.02 -1.26 -4.77 135.00 128.02 1ddl s PRO 127 Ca 0.46 1.53 0.05 0.00 0.02 0.00 0.00 61.00 63.06 1ddl s PRO 127 Cb -0.31 -1.88 -0.00 0.00 0.02 0.00 0.00 34.50 32.32 1ddl s PRO 127 CO 0.40 -1.61 -0.20 0.42 -0.33 0.00 0.00 177.00 175.68 1ddl s ILE 128 N -2.26 1.65 -0.09 2.83 1.01 -0.79 -4.97 121.20 118.58 1ddl s ILE 128 Ca 0.69 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1ddl s ILE 128 Cb -0.24 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1ddl s ILE 128 CO 0.45 0.47 -0.03 -1.81 0.00 0.00 0.00 174.94 174.02 1ddl s ASP 129 N 0.02 4.95 -0.29 3.58 -0.00 -1.26 -1.05 116.67 122.61 1ddl s ASP 129 Ca -0.05 0.04 -0.01 0.00 -0.00 0.00 0.00 52.55 52.52 1ddl s ASP 129 Cb -0.13 -1.40 0.09 0.00 -0.00 0.00 0.00 42.92 41.48 1ddl s ASP 129 CO 0.03 0.34 0.09 -0.69 -0.00 0.00 0.00 175.17 174.94 1ddl s VAL 130 N -0.66 0.71 0.38 -1.27 1.01 -0.21 -4.99 120.40 115.38 1ddl s VAL 130 Ca 0.10 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 1ddl s VAL 130 Cb -0.12 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 1ddl s VAL 130 CO 0.02 -0.61 1.16 -1.61 0.00 0.00 0.00 175.10 174.06 1ddl s GLU 131 N 1.71 4.14 -0.09 2.72 2.02 -1.26 -1.30 118.70 126.64 1ddl s GLU 131 Ca 0.08 1.83 -0.21 0.00 0.02 0.00 0.00 54.97 56.69 1ddl s GLU 131 Cb -0.17 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 1ddl s GLU 131 CO -0.24 -0.24 0.58 0.00 0.02 0.00 0.00 175.26 175.37 1ddl s ALA 132 N -1.39 3.41 -0.66 5.21 0.00 -0.22 -4.93 121.76 123.18 1ddl s ALA 132 Ca 0.55 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 1ddl s ALA 132 Cb -0.31 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1ddl s ALA 132 CO 0.39 -0.03 1.17 1.21 0.00 0.00 0.00 175.76 178.49 1ddl s ASN 133 N 0.66 6.26 0.00 0.00 3.84 -1.26 -4.67 114.94 119.76 1ddl s ASN 133 Ca 0.31 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.01 1ddl s ASN 133 Cb -0.16 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1ddl s ASN 133 CO 0.14 -1.61 0.79 0.18 -2.79 0.00 0.00 177.10 173.81 1ddl n LEU 134 N 8.65 0.02 -0.05 3.21 4.77 -1.26 -1.69 117.00 130.64 1ddl n LEU 134 Ca 0.03 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1ddl n LEU 134 Cb 0.48 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1ddl n LEU 134 CO 0.69 0.00 -0.93 0.35 -1.33 0.00 0.00 177.39 176.17 1ddl n THR 135 N -0.49 0.64 -0.07 -5.08 -2.24 -1.26 -4.51 114.28 101.28 1ddl n THR 135 Ca 0.00 -0.64 -0.09 0.00 -2.27 0.00 0.00 64.05 61.05 1ddl n THR 135 Cb 0.00 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 1ddl n THR 135 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ddl h ASN 136 N 0.00 0.00 -3.92 3.42 -0.26 -1.86 -3.46 115.58 109.50 1ddl h ASN 136 Ca -0.25 -0.27 -0.46 0.00 -0.56 0.00 0.00 56.30 54.75 1ddl h ASN 136 Cb 1.55 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.79 1ddl h ASN 136 CO 0.01 0.89 0.34 -0.76 -1.06 0.00 0.00 177.43 176.86 1ddl s LEU 137 N -8.23 4.25 -0.22 1.61 1.43 -0.68 -5.00 118.68 111.84 1ddl s LEU 137 Ca -0.15 1.80 -0.29 0.00 -1.03 0.00 0.00 54.13 54.46 1ddl s LEU 137 Cb 0.02 -4.13 -0.00 0.00 0.03 0.00 0.00 46.19 42.10 1ddl s LEU 137 CO 0.32 -0.13 1.23 0.21 0.23 0.00 0.00 176.35 178.21 1ddl s ASN 138 N -1.74 6.89 0.08 2.29 3.84 -0.62 -4.54 114.94 121.13 1ddl s ASN 138 Ca 0.53 1.47 0.24 0.00 0.21 0.00 0.00 52.86 55.32 1ddl s ASN 138 Cb -0.16 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 38.97 1ddl s ASN 138 CO 0.21 -0.84 1.76 -0.81 -2.79 0.00 0.00 177.10 174.63 1ddl n PRO 139 N 6.78 0.08 -2.68 0.43 -0.04 -1.26 -3.93 135.00 134.38 1ddl n PRO 139 Ca 0.14 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 1ddl n PRO 139 Cb 0.46 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.28 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 -3.06 4.11 -1.71 0.52 1.01 -1.26 -0.80 121.20 120.01 1ddl s ILE 140 Ca 0.11 -0.68 0.28 0.00 0.00 0.00 0.00 60.65 60.36 1ddl s ILE 140 Cb 0.14 -4.93 0.45 0.00 0.01 0.00 0.00 42.46 38.13 1ddl s ILE 140 CO 0.47 -1.77 1.82 2.30 0.00 0.00 0.00 174.94 177.76 1ddl n ILE 141 N 6.36 0.00 -3.67 2.92 -5.35 -0.77 -4.77 119.36 114.08 1ddl n ILE 141 Ca 0.21 -0.08 -0.09 0.00 -0.27 0.00 0.00 62.75 62.53 1ddl n ILE 141 Cb 0.50 -0.01 -0.09 0.00 -1.74 0.00 0.00 39.64 38.30 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 -2.44 0.53 0.25 6.28 2.20 -1.03 -4.82 119.74 120.70 1ddl s LYS 142 Ca 0.29 1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 56.76 1ddl s LYS 142 Cb 0.20 0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.67 1ddl s LYS 142 CO 0.47 -0.16 0.75 0.00 -0.36 0.00 0.00 175.35 176.05 1ddl n ALA 143 N 4.39 -1.83 0.21 3.13 0.00 -1.19 -0.86 120.51 124.35 1ddl n ALA 143 Ca -0.21 -0.96 0.05 0.00 0.00 0.00 0.00 53.44 52.32 1ddl n ALA 143 Cb 0.56 0.67 0.45 0.00 0.00 0.00 0.00 19.45 21.13 1ddl n ALA 143 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ddl h SER 144 N 1.64 0.00 -2.93 0.00 0.02 -2.02 -3.42 113.55 106.84 1ddl h SER 144 Ca -0.25 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.06 1ddl h SER 144 Cb 1.01 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.49 1ddl h SER 144 CO 0.33 0.27 -0.52 -0.89 -1.14 0.00 0.00 176.83 174.88 1ddl s THR 145 N -4.32 5.20 -0.19 -2.27 2.01 -1.26 -5.10 115.64 109.71 1ddl s THR 145 Ca -0.03 -0.34 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 1ddl s THR 145 Cb 0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1ddl s THR 145 CO 0.70 0.26 0.37 -0.89 -0.69 0.00 0.00 174.62 174.36 1ddl s THR 146 N -1.36 5.23 0.03 -0.82 2.01 -1.26 -4.93 115.64 114.54 1ddl s THR 146 Ca 0.29 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.97 1ddl s THR 146 Cb -0.13 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1ddl s THR 146 CO 0.21 0.30 0.07 -0.36 -0.69 0.00 0.00 174.62 174.14 1ddl s PHE 147 N 1.03 3.21 -0.91 4.92 0.40 -1.26 -5.03 117.98 120.34 1ddl s PHE 147 Ca 0.19 0.13 0.19 0.00 -0.60 0.00 0.00 56.93 56.84 1ddl s PHE 147 Cb -0.14 -1.68 -0.21 0.00 0.51 0.00 0.00 43.02 41.50 1ddl s PHE 147 CO 0.07 0.52 0.82 0.25 0.70 0.00 0.00 175.22 177.58 1ddl n THR 148 N 0.92 0.00 -1.49 0.64 -2.24 -1.26 -4.54 114.28 106.31 1ddl n THR 148 Ca -0.11 -0.05 -0.22 0.00 -2.27 0.00 0.00 64.05 61.40 1ddl n THR 148 Cb 0.52 1.00 0.12 0.00 -2.10 0.00 0.00 70.33 69.87 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 -1.45 4.91 -4.87 3.42 5.75 -1.26 -2.12 116.55 120.93 1ddl n ASP 149 Ca 0.04 -3.75 -0.29 0.00 -0.01 0.00 0.00 54.79 50.77 1ddl n ASP 149 Cb 0.30 -0.73 0.08 0.00 -1.03 0.00 0.00 41.12 39.74 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 -4.05 2.64 0.23 2.12 -4.23 -1.26 -1.59 115.64 109.49 1ddl s THR 150 Ca 0.55 0.21 -0.31 0.00 -1.18 0.00 0.00 61.69 60.96 1ddl s THR 150 Cb 0.46 -3.15 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 1ddl s THR 150 CO 0.02 -0.27 1.51 -2.84 -0.54 0.00 0.00 174.62 172.50 1ddl s PRO 151 N -5.42 4.22 -0.06 3.99 0.02 -1.25 0.34 135.00 136.84 1ddl s PRO 151 Ca 0.61 2.38 0.02 0.00 0.02 0.00 0.00 61.00 64.02 1ddl s PRO 151 Cb -0.12 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1ddl s PRO 151 CO 0.51 -0.52 -0.10 0.21 -0.33 0.00 0.00 177.00 176.76 1ddl s LYS 152 N 0.11 1.48 -0.17 5.54 2.20 0.33 -1.29 119.74 127.94 1ddl s LYS 152 Ca 0.64 -0.34 -0.06 0.00 -0.36 0.00 0.00 55.97 55.85 1ddl s LYS 152 Cb -0.44 -1.26 -0.04 0.00 -1.51 0.00 0.00 37.83 34.59 1ddl s LYS 152 CO 0.40 0.01 0.02 -1.17 -0.36 0.00 0.00 175.35 174.25 1ddl s LEU 153 N 0.70 3.60 -0.13 5.43 2.96 0.33 -1.12 118.68 130.45 1ddl s LEU 153 Ca -0.14 -0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1ddl s LEU 153 Cb -0.15 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1ddl s LEU 153 CO 0.03 0.17 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.42 1ddl s LEU 154 N 0.38 3.23 0.02 -0.68 1.43 -0.43 -0.73 118.68 121.90 1ddl s LEU 154 Ca 0.00 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1ddl s LEU 154 Cb -0.13 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1ddl s LEU 154 CO 0.01 0.23 0.06 -0.72 0.23 0.00 0.00 176.35 176.16 1ddl s TYR 155 N 0.02 0.19 0.00 0.29 -0.85 -0.87 -1.87 117.35 114.26 1ddl s TYR 155 Ca 0.00 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.12 1ddl s TYR 155 Cb -0.13 -0.14 -0.00 0.00 0.38 0.00 0.00 41.96 42.06 1ddl s TYR 155 CO 0.03 -0.29 -0.01 -0.47 -1.52 0.00 0.00 175.55 173.29 1ddl s TYR 156 N -1.94 0.09 -0.03 -3.49 5.04 -0.12 -1.86 117.35 115.04 1ddl s TYR 156 Ca -0.11 -0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1ddl s TYR 156 Cb -0.05 -0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.21 1ddl s TYR 156 CO -0.02 -0.01 0.07 0.45 -1.34 0.00 0.00 175.55 174.71 1ddl s SER 157 N -0.09 -0.05 -0.12 4.32 0.15 0.12 -0.41 113.70 117.63 1ddl s SER 157 Ca -0.00 0.15 0.02 0.00 0.70 0.00 0.00 55.95 56.81 1ddl s SER 157 Cb -0.01 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 1ddl s SER 157 CO -0.00 -0.07 -0.18 -0.54 1.20 0.00 0.00 173.24 173.65 1ddl s LYS 158 N 0.45 3.23 0.30 5.44 -0.14 -0.52 -1.56 119.74 126.94 1ddl s LYS 158 Ca -0.03 -0.77 0.07 0.00 -1.36 0.00 0.00 55.97 53.88 1ddl s LYS 158 Cb -0.05 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 1ddl s LYS 158 CO -0.02 0.19 0.23 0.00 -0.76 0.00 0.00 175.35 174.99 1ddl s ALA 159 N 0.36 3.67 0.50 5.17 0.00 -1.26 -1.81 121.76 128.39 1ddl s ALA 159 Ca -0.14 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.01 1ddl s ALA 159 Cb -0.17 -1.16 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 1ddl s ALA 159 CO 0.07 0.12 1.38 -0.65 0.00 0.00 0.00 175.76 176.67 1ddl s GLN 160 N -3.91 3.40 0.20 0.00 -1.52 -1.26 -4.85 119.66 111.73 1ddl s GLN 160 Ca 0.37 2.28 -0.10 0.00 -1.95 0.00 0.00 55.36 55.96 1ddl s GLN 160 Cb -0.06 -2.43 0.24 0.00 -0.22 0.00 0.00 33.01 30.53 1ddl s GLN 160 CO 0.25 -1.00 1.77 0.00 -0.25 0.00 0.00 175.29 176.06 1ddl h ALA 161 N 1.86 0.78 -2.52 6.09 0.00 -1.98 -2.95 119.26 120.54 1ddl h ALA 161 Ca -0.51 0.05 -0.79 0.00 0.00 0.00 0.00 54.91 53.67 1ddl h ALA 161 Cb 1.28 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.80 1ddl h ALA 161 CO 0.59 -0.12 0.47 0.99 0.00 0.00 0.00 179.25 181.18 1ddl s THR 162 N -6.10 5.74 0.57 0.00 2.01 -1.26 -5.04 115.64 111.55 1ddl s THR 162 Ca -0.13 -2.99 -0.08 0.00 0.31 0.00 0.00 61.69 58.80 1ddl s THR 162 Cb 0.16 -4.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1ddl s THR 162 CO 0.75 -1.20 0.93 0.00 -0.69 0.00 0.00 174.62 174.40 1ddl s ALA 163 N -0.38 3.22 0.91 7.40 0.00 -1.12 -5.10 121.76 126.69 1ddl s ALA 163 Ca 0.29 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1ddl s ALA 163 Cb -0.09 -2.84 0.15 0.00 0.00 0.00 0.00 23.12 20.34 1ddl s ALA 163 CO -0.08 -0.60 1.23 -1.25 0.00 0.00 0.00 175.76 175.06 1ddl s PRO 164 N -5.01 1.14 0.00 0.00 0.04 -1.26 -5.01 135.00 124.90 1ddl s PRO 164 Ca 0.52 -0.09 0.18 0.00 0.04 0.00 0.00 61.00 61.65 1ddl s PRO 164 Cb -0.11 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.39 1ddl s PRO 164 CO 0.49 -2.13 0.78 0.25 0.04 0.00 0.00 177.00 176.43 1ddl n THR 165 N -3.64 0.00 -4.53 1.26 -2.24 -1.26 -4.68 114.28 99.18 1ddl n THR 165 Ca 0.11 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ddl n THR 165 Cb 0.60 1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 69.73 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 -2.61 3.62 0.61 3.42 0.01 -1.26 -5.05 113.70 112.44 1ddl s SER 166 Ca 0.08 -0.57 -0.18 0.00 1.31 0.00 0.00 55.95 56.59 1ddl s SER 166 Cb 0.14 -0.45 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1ddl s SER 166 CO 0.70 0.22 1.19 -2.16 0.41 0.00 0.00 173.24 173.59 1ddl s PRO 167 N -1.76 2.92 0.22 12.44 0.04 -1.26 -4.70 135.00 142.89 1ddl s PRO 167 Ca 0.15 1.76 0.23 0.00 0.04 0.00 0.00 61.00 63.18 1ddl s PRO 167 Cb -0.10 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.59 1ddl s PRO 167 CO 0.06 -1.23 1.14 1.79 0.04 0.00 0.00 177.00 178.80 1ddl h THR 168 N 0.73 0.00 -2.66 1.26 1.35 -1.13 -3.41 112.91 109.05 1ddl h THR 168 Ca -0.50 -0.93 0.04 0.00 -0.55 0.00 0.00 66.41 64.48 1ddl h THR 168 Cb 1.29 1.49 -0.13 0.00 -1.73 0.00 0.00 68.15 69.06 1ddl h THR 168 CO 0.55 0.00 0.34 0.00 -0.25 0.00 0.00 175.52 176.16 1ddl s TYR 170 N -3.46 2.48 -0.19 0.00 1.51 -0.39 -1.13 117.35 116.18 1ddl s TYR 170 Ca 0.03 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1ddl s TYR 170 Cb -0.01 -1.52 -0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1ddl s TYR 170 CO -0.11 0.10 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.21 1ddl s LEU 171 N -0.88 2.97 0.17 -1.29 2.96 -0.07 -0.35 118.68 122.18 1ddl s LEU 171 Ca 0.12 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 1ddl s LEU 171 Cb -0.10 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 1ddl s LEU 171 CO 0.01 0.06 -0.01 0.42 -1.32 0.00 0.00 176.35 175.51 1ddl s THR 172 N 1.00 0.74 0.04 3.68 -4.23 -0.17 -0.54 115.64 116.15 1ddl s THR 172 Ca 0.00 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 1ddl s THR 172 Cb -0.15 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 1ddl s THR 172 CO 0.00 -0.52 -0.22 0.27 -0.54 0.00 0.00 174.62 173.61 1ddl s ILE 173 N -3.61 1.81 -0.01 2.99 -4.36 -0.47 -0.15 121.20 117.40 1ddl s ILE 173 Ca 0.23 -1.23 -0.07 0.00 -0.26 0.00 0.00 60.65 59.31 1ddl s ILE 173 Cb 0.06 -1.56 0.00 0.00 1.25 0.00 0.00 42.46 42.21 1ddl s ILE 173 CO 0.03 0.27 0.15 -1.58 0.24 0.00 0.00 174.94 174.05 1ddl s GLN 174 N -1.15 0.44 0.00 0.37 0.74 -0.14 -1.04 119.66 118.88 1ddl s GLN 174 Ca 0.09 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1ddl s GLN 174 Cb -0.09 0.19 0.00 0.00 1.10 0.00 0.00 33.01 34.20 1ddl s GLN 174 CO 0.02 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 1ddl n GLY 175 N 1.71 -0.88 2.99 2.59 0.00 -0.85 -1.12 105.19 109.63 1ddl n GLY 175 Ca -0.21 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.16 0.82 -0.11 1.61 -0.21 -1.12 -1.01 119.66 119.48 1ddl s GLN 176 Ca 0.00 -0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.14 1ddl s GLN 176 Cb 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.23 1ddl s GLN 176 CO 0.00 0.11 -0.23 -1.50 -2.12 0.00 0.00 175.29 171.55 1ddl s ILE 177 N 0.14 2.13 -0.17 1.08 2.07 0.94 -0.74 121.20 126.64 1ddl s ILE 177 Ca -0.02 -0.99 -0.27 0.00 -1.41 0.00 0.00 60.65 57.96 1ddl s ILE 177 Cb -0.07 -1.82 -0.01 0.00 0.13 0.00 0.00 42.46 40.69 1ddl s ILE 177 CO 0.00 0.56 0.92 -1.61 -1.91 0.00 0.00 174.94 172.89 1ddl s GLU 178 N 0.42 4.31 0.01 3.50 2.02 0.76 -0.27 118.70 129.46 1ddl s GLU 178 Ca -0.17 1.17 0.06 0.00 0.02 0.00 0.00 54.97 56.06 1ddl s GLU 178 Cb -0.17 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.44 1ddl s GLU 178 CO 0.07 -0.40 -0.17 -0.51 0.02 0.00 0.00 175.26 174.27 1ddl s LEU 179 N 2.38 2.63 0.20 1.80 1.43 0.14 -1.26 118.68 126.01 1ddl s LEU 179 Ca 0.42 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 1ddl s LEU 179 Cb -0.17 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1ddl s LEU 179 CO 0.12 0.28 0.64 -0.94 0.23 0.00 0.00 176.35 176.68 1ddl s SER 180 N -1.23 -0.45 -0.34 2.29 1.04 -0.83 -1.10 113.70 113.08 1ddl s SER 180 Ca 0.14 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.22 1ddl s SER 180 Cb -0.11 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.67 1ddl s SER 180 CO 0.04 -1.11 0.44 -1.20 0.98 0.00 0.00 173.24 172.39 1ddl n SER 181 N -0.41 -6.88 -4.53 7.02 7.64 -1.26 -2.32 113.62 112.89 1ddl n SER 181 Ca -0.12 0.52 -0.50 0.00 1.01 0.00 0.00 58.87 59.78 1ddl n SER 181 Cb 0.63 -4.59 -0.04 0.00 -1.01 0.00 0.00 64.21 59.19 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 -0.24 0.75 -3.88 1.43 -0.02 -1.26 0.48 135.00 132.25 1ddl n PRO 182 Ca 0.09 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.48 1ddl n PRO 182 Cb 0.34 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.01 3.54 -0.09 2.45 2.96 0.47 -4.62 118.68 124.40 1ddl s LEU 183 Ca 0.73 -0.90 -0.31 0.00 -0.22 0.00 0.00 54.13 53.44 1ddl s LEU 183 Cb -0.92 -1.74 -0.08 0.00 0.50 0.00 0.00 46.19 43.94 1ddl s LEU 183 CO 0.54 -0.18 2.05 0.18 -1.32 0.00 0.00 176.35 177.63 1ddl n LEU 184 N 4.73 3.64 0.00 -0.68 4.77 -1.26 -4.66 117.00 123.53 1ddl n LEU 184 Ca -0.15 0.67 -0.20 0.00 -0.03 0.00 0.00 56.01 56.29 1ddl n LEU 184 Cb 0.47 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.01 1ddl n LEU 184 CO 0.28 -0.18 -0.14 0.00 -1.33 0.00 0.00 177.39 176.03 1ddl n GLN 185 N 7.81 0.87 0.00 3.23 1.13 -1.26 -5.15 117.38 124.01 1ddl n GLN 185 Ca 0.25 -2.54 0.00 0.00 -1.94 0.00 0.00 57.00 52.77 1ddl n GLN 185 Cb 0.39 1.07 0.00 0.00 0.11 0.00 0.00 30.24 31.81 1ddl n GLN 185 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddl n ALA 186 N -1.72 0.00 -3.00 -1.58 0.00 -1.26 -5.15 120.51 107.80 1ddl n ALA 186 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ddl n ALA 186 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1ddl n ALA 186 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ddl n SER 187 N -1.53 0.00 0.00 0.00 3.41 -1.26 -5.28 113.62 108.96 1ddl n SER 187 Ca 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1ddl n SER 187 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ddl n SER 187 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64