#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ddl n THR 15 N 0.00 -6.17 -3.14 5.53 5.66 -1.26 -5.05 114.28 109.85 1ddl n THR 15 Ca 0.00 -0.83 -0.24 0.00 -3.05 0.00 0.00 64.05 59.93 1ddl n THR 15 Cb 0.00 -5.21 -0.05 0.00 -1.55 0.00 0.00 70.33 63.52 1ddl n THR 15 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ddl n LYS 16 N -2.73 2.19 0.00 1.09 3.00 -1.26 -5.02 118.16 115.42 1ddl n LYS 16 Ca -0.07 -4.23 0.00 0.00 -0.00 0.00 0.00 58.31 54.01 1ddl n LYS 16 Cb 0.59 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.64 1ddl n LYS 16 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ddl n PRO 17 N 0.33 0.00 0.00 1.64 -0.02 -1.26 -5.02 135.00 130.67 1ddl n PRO 17 Ca 0.28 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1ddl n PRO 17 Cb 0.48 -0.69 0.00 0.00 -0.02 0.00 0.00 33.50 33.27 1ddl n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ddl n SER 18 N -0.28 0.00 -1.45 2.55 3.41 -1.26 -5.18 113.62 111.41 1ddl n SER 18 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ddl n SER 18 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ddl n SER 18 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ddl n LEU 19 N 0.00 0.00 -4.82 1.04 0.00 -1.26 -5.17 117.00 106.79 1ddl n LEU 19 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.79 1ddl n LEU 19 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 1ddl n LEU 19 CO 0.00 0.00 -0.14 -0.76 0.00 0.00 0.00 177.39 176.49 1ddl s LEU 20 N 0.00 3.64 0.55 -1.96 1.43 -1.26 -5.10 118.68 115.98 1ddl s LEU 20 Ca 0.00 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1ddl s LEU 20 Cb 0.00 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 1ddl s LEU 20 CO 0.00 -0.19 1.02 -2.16 0.23 0.00 0.00 176.35 175.25 1ddl s PRO 21 N -3.90 3.66 0.30 1.29 0.04 -1.26 -4.97 135.00 130.17 1ddl s PRO 21 Ca 0.36 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 1ddl s PRO 21 Cb -0.07 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1ddl s PRO 21 CO 0.25 -0.52 1.57 -1.25 0.04 0.00 0.00 177.00 177.10 1ddl s PRO 22 N -4.10 4.13 -0.23 0.56 0.04 -1.26 -4.87 135.00 129.26 1ddl s PRO 22 Ca 0.61 2.57 -0.35 0.00 0.04 0.00 0.00 61.00 63.86 1ddl s PRO 22 Cb -0.13 -3.02 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 1ddl s PRO 22 CO 0.34 -0.61 1.99 -2.30 0.04 0.00 0.00 177.00 176.46 1ddl n PRO 23 N 1.92 1.55 0.00 0.56 -0.02 -1.26 -4.91 135.00 132.85 1ddl n PRO 23 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1ddl n PRO 23 Cb 0.38 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1ddl n PRO 23 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ddl n VAL 24 N 5.97 0.00 0.00 -1.45 0.31 -1.26 -4.95 118.33 116.94 1ddl n VAL 24 Ca 0.31 1.38 0.00 0.00 -0.01 0.00 0.00 64.34 66.02 1ddl n VAL 24 Cb 0.25 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 1ddl n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ddl n GLY 25 N -0.90 1.59 3.76 2.92 0.00 -1.26 -5.09 105.19 106.22 1ddl n GLY 25 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.42 6.73 0.49 1.61 0.01 -1.26 -5.00 114.94 117.95 1ddl s ASN 26 Ca 0.00 2.65 -0.21 0.00 -0.71 0.00 0.00 52.86 54.60 1ddl s ASN 26 Cb 0.00 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.95 1ddl s ASN 26 CO 0.00 -0.61 1.09 -2.16 -1.51 0.00 0.00 177.10 173.92 1ddl s PRO 27 N -1.04 3.66 0.57 -0.60 0.04 -1.26 -4.98 135.00 131.39 1ddl s PRO 27 Ca 0.54 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 1ddl s PRO 27 Cb -0.40 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1ddl s PRO 27 CO 0.48 -0.58 1.22 -1.25 0.04 0.00 0.00 177.00 176.91 1ddl s PRO 28 N -3.09 3.07 0.56 0.56 0.04 -1.26 -4.96 135.00 129.93 1ddl s PRO 28 Ca 0.68 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 63.40 1ddl s PRO 28 Cb -0.22 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1ddl s PRO 28 CO 0.26 -1.14 1.25 -1.25 0.04 0.00 0.00 177.00 176.16 1ddl s PRO 29 N -3.20 3.11 -0.05 0.56 0.04 -1.26 -4.92 135.00 129.28 1ddl s PRO 29 Ca 0.75 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.80 1ddl s PRO 29 Cb -0.32 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1ddl s PRO 29 CO 0.35 -1.13 -0.22 0.08 0.04 0.00 0.00 177.00 176.13 1ddl s VAL 30 N -1.49 1.78 0.12 -0.36 1.01 -1.26 -4.38 120.40 115.83 1ddl s VAL 30 Ca 0.74 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.90 1ddl s VAL 30 Cb -0.33 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1ddl s VAL 30 CO 0.38 0.50 -0.23 -0.51 0.00 0.00 0.00 175.10 175.24 1ddl s ILE 31 N -0.10 1.95 -0.15 2.22 2.07 -0.79 -4.95 121.20 121.45 1ddl s ILE 31 Ca -0.03 -1.69 -0.04 0.00 -1.41 0.00 0.00 60.65 57.49 1ddl s ILE 31 Cb -0.13 -1.77 -0.03 0.00 0.13 0.00 0.00 42.46 40.66 1ddl s ILE 31 CO 0.03 -0.04 -0.04 -0.44 -1.91 0.00 0.00 174.94 172.54 1ddl s SER 32 N -2.09 4.78 -0.09 4.50 0.01 -1.26 -0.15 113.70 119.39 1ddl s SER 32 Ca 0.11 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.27 1ddl s SER 32 Cb -0.09 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.35 1ddl s SER 32 CO 0.05 0.17 -0.19 -0.47 0.41 0.00 0.00 173.24 173.21 1ddl s TYR 33 N 0.33 2.63 0.53 2.43 5.04 0.42 -4.91 117.35 123.81 1ddl s TYR 33 Ca -0.04 -0.69 -0.03 0.00 -2.44 0.00 0.00 57.07 53.87 1ddl s TYR 33 Cb -0.14 -1.71 0.00 0.00 0.35 0.00 0.00 41.96 40.46 1ddl s TYR 33 CO 0.03 -0.20 0.80 -1.25 -1.34 0.00 0.00 175.55 173.58 1ddl s PRO 34 N 0.04 2.97 -0.00 4.97 0.04 -1.26 -1.13 135.00 140.61 1ddl s PRO 34 Ca -0.07 -0.25 -0.28 0.00 0.04 0.00 0.00 61.00 60.44 1ddl s PRO 34 Cb -0.15 -2.40 0.08 0.00 0.04 0.00 0.00 34.50 32.07 1ddl s PRO 34 CO 0.05 -0.52 0.74 -0.59 0.04 0.00 0.00 177.00 176.73 1ddl s PHE 35 N -2.79 -0.53 -0.13 0.56 -0.12 -0.47 -4.95 117.98 109.54 1ddl s PHE 35 Ca 0.52 0.69 -0.06 0.00 -0.05 0.00 0.00 56.93 58.03 1ddl s PHE 35 Cb -0.10 0.48 0.06 0.00 -0.63 0.00 0.00 43.02 42.82 1ddl s PHE 35 CO 0.42 -0.62 0.29 -1.14 -0.05 0.00 0.00 175.22 174.11 1ddl s GLN 36 N -2.17 0.22 -0.03 1.99 0.74 -1.26 -1.88 119.66 117.27 1ddl s GLN 36 Ca -0.04 0.69 0.04 0.00 0.05 0.00 0.00 55.36 56.10 1ddl s GLN 36 Cb -0.00 -0.04 -0.00 0.00 1.10 0.00 0.00 33.01 34.07 1ddl s GLN 36 CO -0.01 -0.22 -0.13 0.42 -0.55 0.00 0.00 175.29 174.81 1ddl s ILE 37 N 1.86 1.06 -0.40 -2.34 1.01 -0.09 -4.97 121.20 117.34 1ddl s ILE 37 Ca -0.05 -0.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.85 1ddl s ILE 37 Cb -0.11 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.46 1ddl s ILE 37 CO -0.09 0.31 0.73 -0.89 0.00 0.00 0.00 174.94 175.00 1ddl s THR 38 N -0.02 4.75 0.02 2.92 2.01 -1.26 -1.29 115.64 122.78 1ddl s THR 38 Ca -0.00 0.57 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 1ddl s THR 38 Cb -0.08 -4.22 -0.26 0.00 0.01 0.00 0.00 72.50 67.95 1ddl s THR 38 CO 0.01 -0.52 0.93 -0.07 -0.69 0.00 0.00 174.62 174.27 1ddl h LEU 39 N 9.78 0.31 -7.00 4.42 3.38 -1.26 -3.49 115.31 121.45 1ddl h LEU 39 Ca -0.25 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.33 1ddl h LEU 39 Cb 1.10 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 41.55 1ddl h LEU 39 CO 0.91 1.34 0.38 0.00 0.09 0.00 0.00 178.44 181.16 1ddl s ALA 40 N -2.63 -1.82 -0.27 1.53 0.00 -1.08 -5.01 121.76 112.48 1ddl s ALA 40 Ca -0.07 1.27 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 1ddl s ALA 40 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ddl s ALA 40 CO 0.85 -0.45 0.08 -1.12 0.00 0.00 0.00 175.76 175.12 1ddl s SER 41 N -1.56 5.12 0.40 0.00 0.01 -1.26 -0.92 113.70 115.49 1ddl s SER 41 Ca -0.03 -0.38 0.08 0.00 1.31 0.00 0.00 55.95 56.92 1ddl s SER 41 Cb -0.00 -1.91 -0.06 0.00 0.21 0.00 0.00 66.02 64.26 1ddl s SER 41 CO 0.01 -0.09 0.11 -0.76 0.41 0.00 0.00 173.24 172.91 1ddl s LEU 42 N 1.58 3.04 0.00 2.44 1.43 0.07 -4.79 118.68 122.45 1ddl s LEU 42 Ca 0.05 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1ddl s LEU 42 Cb -0.16 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1ddl s LEU 42 CO 0.03 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.76 1ddl n GLY 43 N -1.12 0.10 0.01 -3.19 0.00 -1.26 -0.06 105.19 99.68 1ddl n GLY 43 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.88 0.06 -3.53 2.61 -2.24 -1.26 -4.41 114.28 103.64 1ddl n THR 44 Ca 0.00 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 1ddl n THR 44 Cb 0.00 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 -3.20 0.72 0.52 -0.78 -1.05 -1.26 -4.77 118.70 108.89 1ddl s GLU 45 Ca 0.03 -0.20 -0.22 0.00 -0.15 0.00 0.00 54.97 54.43 1ddl s GLU 45 Cb 0.15 0.33 -0.06 0.00 -0.44 0.00 0.00 34.13 34.11 1ddl s GLU 45 CO 0.85 -0.30 1.33 -0.25 0.95 0.00 0.00 175.26 177.84 1ddl n ASP 46 N -0.05 2.63 -3.84 0.83 8.00 -1.26 -4.58 116.55 118.27 1ddl n ASP 46 Ca -0.08 1.00 -0.11 0.00 0.71 0.00 0.00 54.79 56.31 1ddl n ASP 46 Cb 0.61 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 40.05 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 -1.28 -0.42 -0.30 2.24 0.00 -0.71 -5.00 121.76 116.29 1ddl s ALA 47 Ca 0.69 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 1ddl s ALA 47 Cb -0.43 0.13 0.13 0.00 0.00 0.00 0.00 23.12 22.95 1ddl s ALA 47 CO 0.51 -0.24 0.77 0.00 0.00 0.00 0.00 175.76 176.80 1ddl s ALA 48 N -1.57 -2.19 0.26 0.00 0.00 -1.26 -0.13 121.76 116.87 1ddl s ALA 48 Ca -0.13 2.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.99 1ddl s ALA 48 Cb -0.06 -1.77 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1ddl s ALA 48 CO 0.01 -0.77 0.50 0.34 0.00 0.00 0.00 175.76 175.84 1ddl s ASP 49 N 2.39 0.02 -0.05 0.00 3.68 -0.82 -5.02 116.67 116.86 1ddl s ASP 49 Ca -0.06 -0.99 0.02 0.00 2.13 0.00 0.00 52.55 53.64 1ddl s ASP 49 Cb -0.08 0.61 0.01 0.00 -1.45 0.00 0.00 42.92 42.01 1ddl s ASP 49 CO -0.18 -1.19 -0.09 -0.94 0.13 0.00 0.00 175.17 172.89 1ddl s SER 50 N -3.04 1.42 -0.24 -0.34 1.04 -1.26 -1.78 113.70 109.50 1ddl s SER 50 Ca 0.23 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.44 1ddl s SER 50 Cb -0.01 -0.62 0.04 0.00 0.10 0.00 0.00 66.02 65.53 1ddl s SER 50 CO 0.10 0.02 -0.11 -0.69 0.98 0.00 0.00 173.24 173.54 1ddl s VAL 51 N 0.64 2.40 -0.42 5.02 1.01 0.25 -4.96 120.40 124.34 1ddl s VAL 51 Ca -0.12 -1.30 -0.24 0.00 0.00 0.00 0.00 61.98 60.32 1ddl s VAL 51 Cb -0.14 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.99 1ddl s VAL 51 CO 0.02 0.15 0.86 -0.55 0.00 0.00 0.00 175.10 175.58 1ddl s SER 52 N 1.21 6.52 0.21 3.32 0.15 -1.26 -0.90 113.70 122.95 1ddl s SER 52 Ca -0.03 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.72 1ddl s SER 52 Cb -0.18 -2.43 0.22 0.00 -1.71 0.00 0.00 66.02 61.92 1ddl s SER 52 CO -0.06 -0.92 1.83 0.40 1.20 0.00 0.00 173.24 175.69 1ddl h ILE 53 N 5.95 1.04 0.00 6.45 1.08 -1.63 -2.42 117.51 127.97 1ddl h ILE 53 Ca -0.24 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1ddl h ILE 53 Cb 1.08 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1ddl h ILE 53 CO 0.98 0.14 0.00 0.00 -0.69 0.00 0.00 178.15 178.58 1ddl h ALA 54 N 1.32 1.00 -0.19 1.87 0.00 -1.92 -2.11 119.26 119.23 1ddl h ALA 54 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 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 -0.14 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.54 1ddl n SER 55 N -2.36 2.91 -4.70 0.00 7.64 -0.92 -4.94 113.62 111.25 1ddl n SER 55 Ca -0.00 -1.86 -0.42 0.00 1.01 0.00 0.00 58.87 57.59 1ddl n SER 55 Cb 0.12 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.44 6.64 0.21 6.43 3.84 -0.80 -4.92 114.94 124.89 1ddl s ASN 56 Ca 0.28 2.48 -0.10 0.00 0.21 0.00 0.00 52.86 55.73 1ddl s ASN 56 Cb 0.18 -2.58 0.27 0.00 -0.55 0.00 0.00 41.25 38.57 1ddl s ASN 56 CO 0.25 -0.83 1.75 0.28 -2.79 0.00 0.00 177.10 175.76 1ddl h SER 57 N 7.63 0.24 0.08 -4.21 0.02 -1.94 -1.28 113.55 114.09 1ddl h SER 57 Ca -0.42 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1ddl h SER 57 Cb 1.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1ddl h SER 57 CO 0.92 0.15 -0.04 0.58 -1.14 0.00 0.00 176.83 177.30 1ddl h VAL 58 N 0.42 1.07 -0.68 2.27 2.07 -1.98 -2.95 116.25 116.47 1ddl h VAL 58 Ca 0.30 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1ddl h VAL 58 Cb 0.36 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1ddl h VAL 58 CO -0.29 0.13 0.45 -0.07 0.02 0.00 0.00 177.57 177.81 1ddl h LEU 59 N -0.34 0.74 -1.73 2.57 3.38 -1.87 -1.76 115.31 116.29 1ddl h LEU 59 Ca -0.01 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1ddl h LEU 59 Cb 0.29 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ddl h LEU 59 CO 0.02 0.52 0.27 0.00 0.09 0.00 0.00 178.44 179.34 1ddl h ALA 60 N 1.59 1.95 0.00 1.53 0.00 -1.07 -0.50 119.26 122.76 1ddl h ALA 60 Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1ddl h ALA 60 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ddl h ALA 60 CO -0.07 -0.02 -0.25 1.79 0.00 0.00 0.00 179.25 180.70 1ddl h THR 61 N 0.34 0.84 0.15 0.00 1.35 -1.18 -0.67 112.91 113.74 1ddl h THR 61 Ca 0.18 -0.98 -0.30 0.00 -0.55 0.00 0.00 66.41 64.76 1ddl h THR 61 Cb 0.27 1.58 0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1ddl h THR 61 CO -0.04 0.24 -1.44 1.88 -0.25 0.00 0.00 175.52 175.91 1ddl h TYR 62 N 0.00 0.57 -0.00 4.73 0.99 -1.18 -3.33 116.97 118.75 1ddl h TYR 62 Ca -0.00 -0.42 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1ddl h TYR 62 Cb 0.56 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.27 1ddl h TYR 62 CO 0.00 1.40 -0.22 0.25 -0.00 0.00 0.00 178.16 179.59 1ddl n THR 63 N -3.53 0.00 -0.01 -2.88 -2.24 -0.80 -4.03 114.28 100.79 1ddl n THR 63 Ca -0.14 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.78 1ddl n THR 63 Cb 1.05 -0.14 0.59 0.00 -2.10 0.00 0.00 70.33 69.72 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 3.06 2.19 -0.01 6.98 0.00 -1.23 -1.23 119.26 129.02 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 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ddl h ALA 64 CO 0.00 -0.31 -0.12 1.28 0.00 0.00 0.00 179.25 180.10 1ddl n LEU 65 N -4.45 0.72 -4.56 0.00 4.77 -1.26 -4.87 117.00 107.35 1ddl n LEU 65 Ca 0.08 -0.13 -0.26 0.00 -0.03 0.00 0.00 56.01 55.67 1ddl n LEU 65 Cb 0.42 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1ddl n LEU 65 CO 0.35 0.13 -0.27 -0.31 -1.33 0.00 0.00 177.39 175.96 1ddl s TYR 66 N -2.38 2.13 -0.09 -1.77 1.51 -0.47 -0.71 117.35 115.57 1ddl s TYR 66 Ca 0.30 -0.89 0.19 0.00 -1.01 0.00 0.00 57.07 55.66 1ddl s TYR 66 Cb 0.20 -1.49 -0.28 0.00 -0.11 0.00 0.00 41.96 40.28 1ddl s TYR 66 CO 0.46 0.16 0.29 0.54 -1.11 0.00 0.00 175.55 175.89 1ddl n ARG 67 N -0.90 0.75 -4.62 -0.62 1.74 0.32 -4.62 116.66 108.70 1ddl n ARG 67 Ca -0.06 -0.11 -0.25 0.00 -0.77 0.00 0.00 57.85 56.66 1ddl n ARG 67 Cb 0.67 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.46 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 -3.02 1.49 -0.05 -1.55 2.46 -0.97 -3.28 115.29 110.37 1ddl s HIS 68 Ca -0.08 -0.54 -0.02 0.00 0.47 0.00 0.00 55.06 54.89 1ddl s HIS 68 Cb 0.10 -1.08 0.04 0.00 -0.13 0.00 0.00 32.58 31.51 1ddl s HIS 68 CO 0.81 -0.26 0.10 0.00 -2.47 0.00 0.00 174.74 172.91 1ddl s ALA 69 N 0.58 -0.01 -0.03 1.58 0.00 -0.60 -1.89 121.76 121.39 1ddl s ALA 69 Ca -0.13 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1ddl s ALA 69 Cb -0.15 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1ddl s ALA 69 CO 0.04 -0.37 -0.08 -1.14 0.00 0.00 0.00 175.76 174.21 1ddl s GLN 70 N 1.80 0.88 0.15 0.00 0.74 -0.51 -1.25 119.66 121.48 1ddl s GLN 70 Ca -0.01 -0.26 -0.30 0.00 0.05 0.00 0.00 55.36 54.84 1ddl s GLN 70 Cb -0.12 -0.84 -0.07 0.00 1.10 0.00 0.00 33.01 33.08 1ddl s GLN 70 CO -0.04 0.08 1.21 -0.51 -0.55 0.00 0.00 175.29 175.48 1ddl s LEU 71 N 0.29 4.42 -0.22 3.68 1.43 0.05 -0.16 118.68 128.17 1ddl s LEU 71 Ca -0.04 2.18 -0.15 0.00 -1.03 0.00 0.00 54.13 55.09 1ddl s LEU 71 Cb -0.09 -3.60 -0.18 0.00 0.03 0.00 0.00 46.19 42.35 1ddl s LEU 71 CO 0.00 -0.42 0.02 1.17 0.23 0.00 0.00 176.35 177.36 1ddl n LYS 72 N 2.99 0.61 -3.93 1.70 4.81 0.11 -4.88 118.16 119.57 1ddl n LYS 72 Ca 0.06 0.39 -0.10 0.00 -0.87 0.00 0.00 58.31 57.79 1ddl n LYS 72 Cb 0.45 -1.64 -0.11 0.00 0.02 0.00 0.00 35.03 33.75 1ddl n LYS 72 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1ddl s HIS 73 N -2.45 0.15 -0.25 5.64 3.76 -1.24 -4.98 115.29 115.92 1ddl s HIS 73 Ca -0.32 -0.32 -0.16 0.00 -0.15 0.00 0.00 55.06 54.11 1ddl s HIS 73 Cb 0.09 -0.12 0.07 0.00 1.11 0.00 0.00 32.58 33.73 1ddl s HIS 73 CO 0.59 -0.20 0.63 -1.17 -0.85 0.00 0.00 174.74 173.73 1ddl s LEU 74 N -1.26 -0.67 0.13 0.89 2.96 -1.26 -2.39 118.68 117.08 1ddl s LEU 74 Ca -0.14 1.35 -0.17 0.00 -0.22 0.00 0.00 54.13 54.95 1ddl s LEU 74 Cb -0.08 2.15 0.04 0.00 0.50 0.00 0.00 46.19 48.80 1ddl s LEU 74 CO -0.00 -0.23 0.42 -1.59 -1.32 0.00 0.00 176.35 173.63 1ddl s LYS 75 N 1.27 1.09 -0.03 1.98 -2.85 -0.23 -0.95 119.74 120.01 1ddl s LYS 75 Ca -0.07 -0.68 0.01 0.00 -1.00 0.00 0.00 55.97 54.23 1ddl s LYS 75 Cb -0.05 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 1ddl s LYS 75 CO -0.13 -0.43 -0.04 0.00 0.10 0.00 0.00 175.35 174.84 1ddl s ALA 76 N -3.79 3.09 -0.01 0.59 0.00 -0.35 -1.25 121.76 120.05 1ddl s ALA 76 Ca 0.03 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1ddl s ALA 76 Cb 0.02 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1ddl s ALA 76 CO -0.12 0.60 -0.13 0.99 0.00 0.00 0.00 175.76 177.10 1ddl s THR 77 N -0.94 1.02 -0.25 0.00 2.01 0.47 -0.69 115.64 117.25 1ddl s THR 77 Ca 0.16 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1ddl s THR 77 Cb -0.11 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1ddl s THR 77 CO 0.05 0.28 0.05 -0.63 -0.69 0.00 0.00 174.62 173.68 1ddl s ILE 78 N -0.32 4.02 -0.40 1.82 1.01 0.15 -1.28 121.20 126.21 1ddl s ILE 78 Ca 0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1ddl s ILE 78 Cb -0.05 -2.91 0.09 0.00 0.01 0.00 0.00 42.46 39.60 1ddl s ILE 78 CO -0.00 0.30 0.21 -1.00 0.00 0.00 0.00 174.94 174.44 1ddl s HIS 79 N 1.56 3.46 0.48 3.97 3.76 0.92 -1.99 115.29 127.45 1ddl s HIS 79 Ca 0.05 -2.05 -0.24 0.00 -0.15 0.00 0.00 55.06 52.68 1ddl s HIS 79 Cb -0.15 -3.03 -0.08 0.00 1.11 0.00 0.00 32.58 30.43 1ddl s HIS 79 CO 0.02 -0.92 1.27 -2.30 -0.85 0.00 0.00 174.74 171.96 1ddl n PRO 80 N 4.72 1.77 -3.08 8.40 -0.02 -1.26 -1.22 135.00 144.31 1ddl n PRO 80 Ca -0.06 0.64 -0.17 0.00 -2.02 0.00 0.00 63.50 61.89 1ddl n PRO 80 Cb 0.42 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 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 -0.60 0.00 0.19 3.45 -2.24 0.34 -4.90 114.28 110.52 1ddl n THR 81 Ca 0.08 -1.33 0.02 0.00 -2.27 0.00 0.00 64.05 60.55 1ddl n THR 81 Cb 0.42 -0.08 0.10 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.12 0.00 0.90 4.78 -0.00 -1.26 -1.75 117.16 118.71 1ddl n TYR 82 Ca -0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.95 1ddl n TYR 82 Cb 0.37 -0.31 -0.10 0.00 -0.00 0.00 0.00 39.34 39.31 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 0.74 -0.17 -3.48 2.81 -1.26 -4.47 117.12 109.98 1ddl n MET 83 Ca 0.02 -0.10 -0.09 0.00 -1.81 0.00 0.00 57.70 55.72 1ddl n MET 83 Cb 0.04 -1.40 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 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 2.79 0.63 -0.96 3.04 0.00 -1.49 -2.13 119.26 121.15 1ddl h ALA 84 Ca 0.00 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.90 1ddl h ALA 84 Cb 0.48 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1ddl h ALA 84 CO 0.00 0.31 0.55 -1.35 0.00 0.00 0.00 179.25 178.76 1ddl h PRO 85 N 0.65 0.65 0.00 0.00 0.11 -1.78 -2.57 132.00 129.06 1ddl h PRO 85 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1ddl h PRO 85 Cb 0.32 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.28 1ddl h PRO 85 CO 0.00 0.43 -1.00 1.17 -0.21 0.00 0.00 178.00 178.39 1ddl n LYS 86 N -4.83 0.33 -3.62 1.05 4.81 -1.17 -2.65 118.16 112.07 1ddl n LYS 86 Ca 0.22 0.01 -0.27 0.00 -0.87 0.00 0.00 58.31 57.40 1ddl n LYS 86 Cb 0.57 -1.63 -0.11 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.07 1.29 -1.61 5.64 4.02 -0.81 -4.95 117.16 118.68 1ddl n TYR 87 Ca 0.02 -3.83 -0.46 0.00 -0.01 0.00 0.00 57.90 53.61 1ddl n TYR 87 Cb 0.45 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 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 2.25 1.46 -4.33 -0.72 -0.02 -1.24 -4.67 135.00 127.73 1ddl n PRO 88 Ca 0.25 0.52 -0.19 0.00 -2.02 0.00 0.00 63.50 62.06 1ddl n PRO 88 Cb 0.42 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.41 0.93 -0.15 3.45 2.01 0.37 -4.38 115.64 117.47 1ddl s THR 89 Ca 0.68 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.77 1ddl s THR 89 Cb -0.75 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1ddl s THR 89 CO 0.54 0.03 0.17 -0.44 -0.69 0.00 0.00 174.62 174.22 1ddl s SER 90 N -0.89 6.35 -0.06 3.53 0.01 -0.69 -0.55 113.70 121.39 1ddl s SER 90 Ca 0.01 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1ddl s SER 90 Cb -0.07 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.09 1ddl s SER 90 CO 0.01 0.29 -0.04 -0.69 0.41 0.00 0.00 173.24 173.21 1ddl s VAL 91 N -0.37 0.61 0.00 3.43 1.01 -0.54 -1.40 120.40 123.13 1ddl s VAL 91 Ca 0.13 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1ddl s VAL 91 Cb -0.12 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1ddl s VAL 91 CO 0.02 0.26 -0.20 0.00 0.00 0.00 0.00 175.10 175.19 1ddl s ALA 92 N 1.27 1.68 0.15 5.51 0.00 0.38 0.49 121.76 131.25 1ddl s ALA 92 Ca -0.05 -0.92 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1ddl s ALA 92 Cb -0.14 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1ddl s ALA 92 CO -0.02 0.40 0.54 -0.48 0.00 0.00 0.00 175.76 176.20 1ddl s LEU 93 N -0.70 -0.26 -0.08 0.00 0.05 0.05 -0.71 118.68 117.03 1ddl s LEU 93 Ca 0.08 -0.11 -0.30 0.00 0.05 0.00 0.00 54.13 53.84 1ddl s LEU 93 Cb -0.08 2.36 0.07 0.00 -2.05 0.00 0.00 46.19 46.50 1ddl s LEU 93 CO 0.00 -0.94 0.70 0.54 -0.55 0.00 0.00 176.35 176.10 1ddl s VAL 94 N -3.77 0.00 -0.19 1.48 0.11 -0.75 -2.01 120.40 115.27 1ddl s VAL 94 Ca 0.02 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.98 1ddl s VAL 94 Cb -0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1ddl s VAL 94 CO -0.12 0.00 0.11 0.26 -3.33 0.00 0.00 175.10 172.02 1ddl s TRP 95 N -1.01 3.38 0.05 1.54 0.52 -1.26 -1.00 118.94 121.16 1ddl s TRP 95 Ca -0.09 0.28 -0.01 0.00 0.02 0.00 0.00 56.10 56.29 1ddl s TRP 95 Cb -0.01 -2.12 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 1ddl s TRP 95 CO 0.08 0.29 -0.02 0.14 0.02 0.00 0.00 176.95 177.46 1ddl s VAL 96 N 0.27 0.21 0.63 4.03 -7.23 -0.05 -4.98 120.40 113.28 1ddl s VAL 96 Ca 0.07 -1.70 -0.18 0.00 -1.81 0.00 0.00 61.98 58.36 1ddl s VAL 96 Cb -0.11 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 1ddl s VAL 96 CO -0.01 -0.94 1.22 -2.84 -0.31 0.00 0.00 175.10 172.22 1ddl s PRO 97 N -3.70 2.75 0.59 4.82 0.02 -1.26 -0.67 135.00 137.56 1ddl s PRO 97 Ca 0.05 1.85 0.30 0.00 0.02 0.00 0.00 61.00 63.22 1ddl s PRO 97 Cb 0.06 -1.90 1.85 0.00 0.02 0.00 0.00 34.50 34.53 1ddl s PRO 97 CO -0.09 -1.38 2.26 0.00 -0.33 0.00 0.00 177.00 177.45 1ddl h ALA 98 N 0.60 1.51 -0.10 -1.55 0.00 -0.70 -1.70 119.26 117.33 1ddl h ALA 98 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ddl h ALA 98 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ddl h ALA 98 CO 0.54 -0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.05 1ddl n ASN 99 N -3.82 0.94 -4.78 0.00 6.94 -0.95 -4.85 115.26 108.74 1ddl n ASN 99 Ca -0.03 -1.60 -0.36 0.00 -0.02 0.00 0.00 54.58 52.57 1ddl n ASN 99 Cb 0.09 -0.06 -0.02 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.55 6.36 -0.01 0.53 0.15 -0.64 -4.94 113.70 113.60 1ddl s SER 100 Ca 0.30 2.14 0.19 0.00 0.70 0.00 0.00 55.95 59.28 1ddl s SER 100 Cb 0.15 -2.59 0.58 0.00 -1.71 0.00 0.00 66.02 62.45 1ddl s SER 100 CO 0.24 -0.77 1.48 0.35 1.20 0.00 0.00 173.24 175.74 1ddl n THR 101 N -0.49 1.09 -2.05 6.45 -2.24 -1.26 -4.98 114.28 110.80 1ddl n THR 101 Ca 0.07 -1.03 -0.39 0.00 -2.27 0.00 0.00 64.05 60.43 1ddl n THR 101 Cb 0.50 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.10 3.22 0.32 6.98 0.00 -1.26 -5.03 121.76 124.89 1ddl s ALA 102 Ca 0.43 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.69 1ddl s ALA 102 Cb 0.23 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1ddl s ALA 102 CO 0.28 -0.85 0.22 0.95 0.00 0.00 0.00 175.76 176.36 1ddl s THR 103 N -1.28 3.55 0.59 0.00 -4.23 -1.26 -5.01 115.64 108.01 1ddl s THR 103 Ca 0.58 -1.49 0.29 0.00 -1.18 0.00 0.00 61.69 59.89 1ddl s THR 103 Cb -0.38 -3.15 0.37 0.00 1.34 0.00 0.00 72.50 70.69 1ddl s THR 103 CO 0.48 -0.22 1.99 0.77 -0.54 0.00 0.00 174.62 177.10 1ddl h SER 104 N 1.40 0.00 -0.06 3.99 4.64 -1.87 0.12 113.55 121.77 1ddl h SER 104 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 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 0.60 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.91 1ddl n THR 105 N -3.74 0.07 -1.51 2.95 -2.24 -1.26 -3.80 114.28 104.75 1ddl n THR 105 Ca 0.05 -0.15 0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1ddl n THR 105 Cb 0.51 0.02 0.20 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.30 1.70 -0.06 -0.78 6.02 0.40 -4.79 117.38 119.58 1ddl n GLN 106 Ca 0.17 -3.23 -0.08 0.00 -0.01 0.00 0.00 57.00 53.85 1ddl n GLN 106 Cb 0.21 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 29.75 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 0.97 0.90 0.00 5.09 2.07 -1.69 -1.17 116.25 122.41 1ddl h VAL 107 Ca 0.09 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1ddl h VAL 107 Cb 1.27 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1ddl h VAL 107 CO 0.16 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.96 1ddl n LEU 108 N -5.08 0.00 -1.03 2.57 4.77 -1.26 -1.68 117.00 115.29 1ddl n LEU 108 Ca -0.02 0.06 0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1ddl n LEU 108 Cb 0.10 -0.06 0.25 0.00 -2.33 0.00 0.00 43.42 41.39 1ddl n LEU 108 CO 0.28 -0.02 0.71 0.47 -1.33 0.00 0.00 177.39 177.50 1ddl n ASP 109 N -1.06 3.71 -4.34 -1.43 8.00 -0.46 -4.93 116.55 116.05 1ddl n ASP 109 Ca 0.14 -2.28 -0.32 0.00 0.71 0.00 0.00 54.79 53.04 1ddl n ASP 109 Cb 0.09 -0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.51 2.58 -0.04 -3.53 2.01 -0.67 -5.07 115.64 109.41 1ddl s THR 110 Ca 0.37 -0.86 -0.33 0.00 0.31 0.00 0.00 61.69 61.18 1ddl s THR 110 Cb 0.23 -2.01 -0.12 0.00 0.01 0.00 0.00 72.50 70.61 1ddl s THR 110 CO 0.20 0.56 1.86 0.00 -0.69 0.00 0.00 174.62 176.55 1ddl n TYR 111 N 3.07 2.36 -0.11 4.92 9.36 -1.26 -0.90 117.16 134.61 1ddl n TYR 111 Ca -0.18 -0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.01 1ddl n TYR 111 Cb 0.52 -2.68 0.00 0.00 -0.63 0.00 0.00 39.34 36.56 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 4.31 0.68 3.73 2.98 0.00 -1.26 -5.02 105.19 110.61 1ddl n GLY 112 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 1.20 3.38 -0.02 0.00 -0.07 -4.91 105.19 102.76 1ddl n GLY 113 Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.39 2.29 -0.10 0.99 1.43 -0.85 -4.80 118.68 117.24 1ddl s LEU 114 Ca 0.64 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1ddl s LEU 114 Cb -0.53 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1ddl s LEU 114 CO 0.49 0.25 -0.09 -2.28 0.23 0.00 0.00 176.35 174.95 1ddl s HIS 115 N -0.86 1.51 0.15 0.29 2.46 -1.26 -0.77 115.29 116.82 1ddl s HIS 115 Ca 0.13 -0.71 0.10 0.00 0.47 0.00 0.00 55.06 55.05 1ddl s HIS 115 Cb -0.10 -1.21 -0.04 0.00 -0.13 0.00 0.00 32.58 31.10 1ddl s HIS 115 CO 0.03 -0.46 -0.21 -0.06 -2.47 0.00 0.00 174.74 171.57 1ddl s PHE 116 N 1.43 2.42 -0.33 3.88 0.40 0.18 -4.97 117.98 120.98 1ddl s PHE 116 Ca 0.00 -0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1ddl s PHE 116 Cb -0.13 -1.25 0.01 0.00 0.51 0.00 0.00 43.02 42.16 1ddl s PHE 116 CO -0.05 0.43 0.16 0.00 0.70 0.00 0.00 175.22 176.46 1ddl s ILE 118 N 1.56 5.20 0.00 0.00 -1.09 0.28 -4.95 121.20 122.21 1ddl s ILE 118 Ca 0.03 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1ddl s ILE 118 Cb -0.18 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1ddl s ILE 118 CO 0.06 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 1ddl n GLY 119 N 4.84 -0.67 4.28 6.18 0.00 -0.84 -0.48 105.19 118.51 1ddl n GLY 119 Ca -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.69 1.09 3.68 -0.02 0.00 -1.09 -4.64 105.19 103.52 1ddl n GLY 120 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1ddl n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ddl s SER 121 N 0.00 4.62 0.38 1.61 0.01 -1.26 -5.01 113.70 114.05 1ddl s SER 121 Ca 0.00 -0.67 -0.26 0.00 1.31 0.00 0.00 55.95 56.33 1ddl s SER 121 Cb 0.00 -0.84 -0.12 0.00 0.21 0.00 0.00 66.02 65.28 1ddl s SER 121 CO 0.00 -0.09 1.02 0.55 0.41 0.00 0.00 173.24 175.13 1ddl n VAL 122 N -0.98 2.24 -0.96 3.43 3.14 -1.26 -1.11 118.33 122.82 1ddl n VAL 122 Ca -0.06 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.82 1ddl n VAL 122 Cb 0.60 -1.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 1ddl n VAL 122 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1ddl n ASN 123 N 0.77 -4.81 -1.64 6.55 3.02 -1.26 -4.86 115.26 113.04 1ddl n ASN 123 Ca 0.09 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.60 1ddl n ASN 123 Cb 0.37 -2.71 0.22 0.00 -0.61 0.00 0.00 39.78 37.04 1ddl n ASN 123 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1ddl n SER 124 N -0.69 3.98 -0.26 6.41 3.41 -0.27 -4.02 113.62 122.18 1ddl n SER 124 Ca 0.00 -2.85 0.02 0.00 -0.26 0.00 0.00 58.87 55.78 1ddl n SER 124 Cb 0.35 -0.68 0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1ddl n SER 124 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ddl n VAL 125 N -0.02 0.88 -2.64 -3.33 0.24 -1.26 -1.99 118.33 110.20 1ddl n VAL 125 Ca 0.29 -0.94 -0.38 0.00 -2.04 0.00 0.00 64.34 61.27 1ddl n VAL 125 Cb 1.09 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.93 4.47 0.69 7.34 1.02 -1.26 -4.62 119.74 126.46 1ddl s LYS 126 Ca 0.09 1.49 -0.14 0.00 0.02 0.00 0.00 55.97 57.43 1ddl s LYS 126 Cb 0.05 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1ddl s LYS 126 CO 0.07 0.14 1.11 -1.25 -0.92 0.00 0.00 175.35 174.50 1ddl s PRO 127 N -2.03 2.63 -0.07 -1.68 0.04 -1.26 -4.75 135.00 127.88 1ddl s PRO 127 Ca 0.51 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1ddl s PRO 127 Cb -0.23 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1ddl s PRO 127 CO 0.29 -1.38 -0.21 0.42 0.04 0.00 0.00 177.00 176.16 1ddl s ILE 128 N -2.43 1.78 -0.09 0.56 1.01 -0.84 -4.96 121.20 116.23 1ddl s ILE 128 Ca 0.66 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 60.40 1ddl s ILE 128 Cb -0.20 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1ddl s ILE 128 CO 0.45 0.50 0.03 -1.81 0.00 0.00 0.00 174.94 174.10 1ddl s ASP 129 N 0.19 5.47 -0.31 3.58 1.11 -1.26 -0.67 116.67 124.78 1ddl s ASP 129 Ca -0.11 0.21 -0.01 0.00 0.18 0.00 0.00 52.55 52.82 1ddl s ASP 129 Cb -0.15 -1.59 0.10 0.00 1.07 0.00 0.00 42.92 42.35 1ddl s ASP 129 CO 0.05 0.38 0.11 -0.69 1.18 0.00 0.00 175.17 176.21 1ddl s VAL 130 N -0.92 0.68 0.43 -1.27 1.01 0.13 -4.98 120.40 115.47 1ddl s VAL 130 Ca 0.14 -1.31 -0.24 0.00 0.00 0.00 0.00 61.98 60.58 1ddl s VAL 130 Cb -0.11 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1ddl s VAL 130 CO 0.03 -0.70 1.11 -1.61 0.00 0.00 0.00 175.10 173.93 1ddl s GLU 131 N 1.67 3.97 -0.03 2.72 2.02 -1.26 -1.20 118.70 126.59 1ddl s GLU 131 Ca 0.10 1.66 -0.20 0.00 0.02 0.00 0.00 54.97 56.55 1ddl s GLU 131 Cb -0.17 -2.49 -0.05 0.00 0.10 0.00 0.00 34.13 31.51 1ddl s GLU 131 CO -0.26 -0.34 0.59 0.00 0.02 0.00 0.00 175.26 175.26 1ddl s ALA 132 N -1.58 3.47 -0.63 5.21 0.00 -0.13 -4.92 121.76 123.18 1ddl s ALA 132 Ca 0.60 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 1ddl s ALA 132 Cb -0.26 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1ddl s ALA 132 CO 0.32 0.12 1.11 1.21 0.00 0.00 0.00 175.76 178.51 1ddl s ASN 133 N 0.01 6.29 0.00 0.00 3.84 -1.26 -4.70 114.94 119.13 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 -0.18 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.02 1ddl s ASN 133 CO 0.16 -1.50 0.79 0.18 -2.79 0.00 0.00 177.10 173.94 1ddl n LEU 134 N 8.30 0.12 -0.26 3.21 4.77 -1.26 -1.72 117.00 130.16 1ddl n LEU 134 Ca 0.03 -0.06 0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1ddl n LEU 134 Cb 0.48 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1ddl n LEU 134 CO 0.68 0.03 0.19 0.35 -1.33 0.00 0.00 177.39 177.31 1ddl n THR 135 N -0.42 0.00 0.33 -5.08 -2.24 -1.26 -4.30 114.28 101.30 1ddl n THR 135 Ca 0.00 -0.32 0.04 0.00 -2.27 0.00 0.00 64.05 61.51 1ddl n THR 135 Cb 0.03 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.41 0.96 -4.20 3.42 5.03 -0.70 -4.99 115.26 114.37 1ddl n ASN 136 Ca 0.05 -0.56 -0.23 0.00 0.87 0.00 0.00 54.58 54.72 1ddl n ASN 136 Cb 0.28 1.09 -0.13 0.00 -1.02 0.00 0.00 39.78 40.00 1ddl n ASN 136 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ddl s LEU 137 N -2.69 2.19 -0.24 3.41 1.43 -0.81 -4.88 118.68 117.09 1ddl s LEU 137 Ca 0.02 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 1ddl s LEU 137 Cb 0.07 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1ddl s LEU 137 CO 0.37 0.08 1.44 0.21 0.23 0.00 0.00 176.35 178.69 1ddl s ASN 138 N -1.26 6.58 0.03 2.29 3.84 -0.51 -4.63 114.94 121.27 1ddl s ASN 138 Ca 0.04 1.48 0.27 0.00 0.21 0.00 0.00 52.86 54.86 1ddl s ASN 138 Cb -0.09 -2.54 1.12 0.00 -0.55 0.00 0.00 41.25 39.20 1ddl s ASN 138 CO 0.02 -1.11 1.86 -0.81 -2.79 0.00 0.00 177.10 174.26 1ddl n PRO 139 N 7.38 0.04 -2.57 0.43 -0.04 -1.26 -3.96 135.00 135.01 1ddl n PRO 139 Ca 0.16 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 1ddl n PRO 139 Cb 0.46 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 -3.02 3.92 -2.32 0.52 -1.09 -1.26 -0.77 121.20 117.18 1ddl s ILE 140 Ca 0.13 0.74 0.25 0.00 -2.23 0.00 0.00 60.65 59.53 1ddl s ILE 140 Cb 0.17 -4.79 0.18 0.00 -1.58 0.00 0.00 42.46 36.44 1ddl s ILE 140 CO 0.51 -1.51 1.33 2.30 -1.23 0.00 0.00 174.94 176.33 1ddl n ILE 141 N 6.57 0.00 -3.67 2.92 -5.35 -0.38 -4.82 119.36 114.63 1ddl n ILE 141 Ca 0.07 -0.30 -0.08 0.00 -0.27 0.00 0.00 62.75 62.16 1ddl n ILE 141 Cb 0.49 1.04 -0.09 0.00 -1.74 0.00 0.00 39.64 39.34 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 -2.28 0.48 0.00 6.28 2.20 -1.03 -4.93 119.74 120.46 1ddl s LYS 142 Ca 0.25 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1ddl s LYS 142 Cb 0.19 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1ddl s LYS 142 CO 0.45 -0.18 0.00 0.00 -0.36 0.00 0.00 175.35 175.26 1ddl n ALA 143 N 4.61 0.00 0.30 3.13 0.00 -1.21 -1.56 120.51 125.78 1ddl n ALA 143 Ca -0.18 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.44 1ddl n ALA 143 Cb 0.54 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.92 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 0.00 0.00 -5.49 0.00 0.02 -2.02 -3.44 113.55 102.62 1ddl h SER 144 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1ddl h SER 144 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 1ddl h SER 144 CO 0.00 0.00 -0.63 0.28 -1.14 0.00 0.00 176.83 175.34 1ddl s THR 145 N -3.86 0.06 -0.01 -2.27 -1.32 -1.26 -5.15 115.64 101.83 1ddl s THR 145 Ca -0.02 -1.94 -0.19 0.00 -1.21 0.00 0.00 61.69 58.33 1ddl s THR 145 Cb 0.10 -2.22 -0.05 0.00 -1.51 0.00 0.00 72.50 68.82 1ddl s THR 145 CO 0.40 -0.27 0.55 -0.89 -2.21 0.00 0.00 174.62 172.20 1ddl s THR 146 N -4.09 4.95 0.11 5.08 2.01 -1.26 -4.92 115.64 117.51 1ddl s THR 146 Ca 0.30 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.49 1ddl s THR 146 Cb 0.07 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1ddl s THR 146 CO 0.06 0.44 0.13 -0.36 -0.69 0.00 0.00 174.62 174.19 1ddl s PHE 147 N -0.26 3.23 -1.28 4.92 0.40 -1.26 -5.03 117.98 118.69 1ddl s PHE 147 Ca 0.29 0.07 0.17 0.00 -0.60 0.00 0.00 56.93 56.86 1ddl s PHE 147 Cb -0.18 -1.60 -0.08 0.00 0.51 0.00 0.00 43.02 41.67 1ddl s PHE 147 CO 0.16 0.53 0.83 0.25 0.70 0.00 0.00 175.22 177.69 1ddl n THR 148 N 0.11 0.00 -1.74 0.64 -2.24 -1.26 -4.59 114.28 105.20 1ddl n THR 148 Ca -0.08 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.27 1ddl n THR 148 Cb 0.53 1.12 0.08 0.00 -2.10 0.00 0.00 70.33 69.96 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 -0.64 4.80 -4.89 3.42 3.85 -1.26 -2.25 116.55 119.58 1ddl n ASP 149 Ca 0.06 -3.78 -0.29 0.00 -0.71 0.00 0.00 54.79 50.07 1ddl n ASP 149 Cb 0.33 -0.54 0.05 0.00 -1.35 0.00 0.00 41.12 39.60 1ddl n ASP 149 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1ddl s THR 150 N -4.29 3.28 0.22 2.12 -4.23 -1.26 -1.43 115.64 110.06 1ddl s THR 150 Ca 0.52 0.32 -0.32 0.00 -1.18 0.00 0.00 61.69 61.03 1ddl s THR 150 Cb 0.43 -3.40 -0.13 0.00 1.34 0.00 0.00 72.50 70.74 1ddl s THR 150 CO 0.01 -0.50 1.59 -2.65 -0.54 0.00 0.00 174.62 172.53 1ddl n PRO 151 N -2.98 2.44 -4.30 3.99 -0.02 -1.25 -0.20 135.00 132.68 1ddl n PRO 151 Ca 0.07 0.88 -0.21 0.00 -2.02 0.00 0.00 63.50 62.21 1ddl n PRO 151 Cb 0.58 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 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 0.36 1.09 -0.18 -0.52 2.20 0.16 -1.54 119.74 121.30 1ddl s LYS 152 Ca 0.72 -0.20 -0.07 0.00 -0.36 0.00 0.00 55.97 56.06 1ddl s LYS 152 Cb -0.58 -1.00 -0.04 0.00 -1.51 0.00 0.00 37.83 34.71 1ddl s LYS 152 CO 0.41 -0.04 0.04 -1.17 -0.36 0.00 0.00 175.35 174.24 1ddl s LEU 153 N 0.81 3.67 -0.15 5.43 2.96 -0.08 -0.87 118.68 130.46 1ddl s LEU 153 Ca -0.13 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1ddl s LEU 153 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1ddl s LEU 153 CO 0.01 0.15 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.43 1ddl s LEU 154 N 0.50 3.48 0.01 -0.68 1.43 -0.17 -0.58 118.68 122.67 1ddl s LEU 154 Ca 0.02 -0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1ddl s LEU 154 Cb -0.13 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1ddl s LEU 154 CO 0.01 0.22 -0.02 -0.72 0.23 0.00 0.00 176.35 176.08 1ddl s TYR 155 N 0.07 0.19 0.00 0.29 -0.85 -0.73 -1.81 117.35 114.51 1ddl s TYR 155 Ca 0.02 -0.39 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 1ddl s TYR 155 Cb -0.13 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.06 1ddl s TYR 155 CO 0.02 -0.15 -0.03 -0.47 -1.52 0.00 0.00 175.55 173.40 1ddl s TYR 156 N -1.11 0.27 -0.06 -3.49 5.04 0.11 -1.94 117.35 116.17 1ddl s TYR 156 Ca -0.12 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.33 1ddl s TYR 156 Cb -0.08 -0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.08 1ddl s TYR 156 CO -0.01 -0.03 0.15 0.45 -1.34 0.00 0.00 175.55 174.77 1ddl s SER 157 N -0.34 -0.14 -0.12 4.32 0.15 0.81 -0.47 113.70 117.92 1ddl s SER 157 Ca -0.02 0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.95 1ddl s SER 157 Cb -0.03 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.53 1ddl s SER 157 CO -0.00 -0.09 -0.18 -0.54 1.20 0.00 0.00 173.24 173.63 1ddl s LYS 158 N 0.52 3.25 0.27 5.44 -0.14 -0.50 -1.74 119.74 126.85 1ddl s LYS 158 Ca -0.04 -0.77 0.07 0.00 -1.36 0.00 0.00 55.97 53.88 1ddl s LYS 158 Cb -0.05 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 1ddl s LYS 158 CO -0.02 0.19 0.22 0.00 -0.76 0.00 0.00 175.35 174.98 1ddl s ALA 159 N 0.36 3.64 0.57 5.17 0.00 -1.26 -1.70 121.76 128.55 1ddl s ALA 159 Ca -0.14 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.13 1ddl s ALA 159 Cb -0.17 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1ddl s ALA 159 CO 0.07 0.19 1.30 1.04 0.00 0.00 0.00 175.76 178.35 1ddl n GLN 160 N -1.23 1.46 -0.28 0.00 1.13 -1.26 -4.89 117.38 112.32 1ddl n GLN 160 Ca -0.06 0.55 -0.03 0.00 -1.94 0.00 0.00 57.00 55.52 1ddl n GLN 160 Cb 0.58 -2.51 0.09 0.00 0.11 0.00 0.00 30.24 28.51 1ddl n GLN 160 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ddl h ALA 161 N 1.12 1.03 -2.66 -1.58 0.00 -1.98 -3.05 119.26 112.12 1ddl h ALA 161 Ca -0.50 -0.03 -0.79 0.00 0.00 0.00 0.00 54.91 53.58 1ddl h ALA 161 Cb 1.32 -0.27 -0.27 0.00 0.00 0.00 0.00 17.79 18.57 1ddl h ALA 161 CO 0.55 0.33 0.31 0.99 0.00 0.00 0.00 179.25 181.43 1ddl s THR 162 N -6.11 5.79 0.48 0.00 2.01 -1.26 -5.04 115.64 111.51 1ddl s THR 162 Ca -0.13 -2.95 -0.08 0.00 0.31 0.00 0.00 61.69 58.84 1ddl s THR 162 Cb 0.16 -4.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 1ddl s THR 162 CO 0.78 -1.13 0.83 0.00 -0.69 0.00 0.00 174.62 174.42 1ddl s ALA 163 N -0.51 3.32 0.86 7.40 0.00 -1.16 -5.09 121.76 126.59 1ddl s ALA 163 Ca 0.25 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 1ddl s ALA 163 Cb -0.10 -2.74 0.11 0.00 0.00 0.00 0.00 23.12 20.40 1ddl s ALA 163 CO -0.08 -0.29 1.15 -1.25 0.00 0.00 0.00 175.76 175.29 1ddl s PRO 164 N -4.49 1.54 0.00 0.00 0.04 -1.26 -4.99 135.00 125.84 1ddl s PRO 164 Ca 0.50 0.22 0.23 0.00 0.04 0.00 0.00 61.00 61.99 1ddl s PRO 164 Cb -0.10 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1ddl s PRO 164 CO 0.41 -1.91 1.13 0.25 0.04 0.00 0.00 177.00 176.93 1ddl n THR 165 N -3.55 0.00 -4.73 1.26 -2.24 -1.26 -4.65 114.28 99.11 1ddl n THR 165 Ca 0.07 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 1ddl n THR 165 Cb 0.60 0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 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 -2.66 3.01 0.57 3.42 0.01 -1.26 -5.05 113.70 111.74 1ddl s SER 166 Ca 0.16 -0.61 -0.20 0.00 1.31 0.00 0.00 55.95 56.61 1ddl s SER 166 Cb 0.18 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1ddl s SER 166 CO 0.65 0.21 1.27 -2.16 0.41 0.00 0.00 173.24 173.62 1ddl s PRO 167 N -1.40 3.04 0.09 12.44 0.04 -1.26 -4.69 135.00 143.25 1ddl s PRO 167 Ca 0.11 1.99 0.24 0.00 0.04 0.00 0.00 61.00 63.38 1ddl s PRO 167 Cb -0.10 -2.07 0.27 0.00 0.04 0.00 0.00 34.50 32.64 1ddl s PRO 167 CO 0.03 -1.20 1.24 0.25 0.04 0.00 0.00 177.00 177.36 1ddl n THR 168 N -1.34 0.27 -3.54 1.26 -2.24 0.92 -4.46 114.28 105.15 1ddl n THR 168 Ca 0.12 -0.24 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1ddl n THR 168 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.97 2.39 -0.23 0.00 1.51 -0.36 -0.75 117.35 116.95 1ddl s TYR 170 Ca 0.07 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1ddl s TYR 170 Cb -0.01 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 1ddl s TYR 170 CO -0.07 0.09 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.27 1ddl s LEU 171 N -1.01 3.05 0.31 -1.29 2.96 -0.10 -0.05 118.68 122.55 1ddl s LEU 171 Ca 0.12 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1ddl s LEU 171 Cb -0.10 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 1ddl s LEU 171 CO 0.01 -0.05 0.02 0.42 -1.32 0.00 0.00 176.35 175.44 1ddl s THR 172 N 1.48 1.32 0.01 3.68 -4.23 -0.40 -0.70 115.64 116.80 1ddl s THR 172 Ca 0.05 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1ddl s THR 172 Cb -0.15 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1ddl s THR 172 CO -0.02 -0.10 -0.11 0.27 -0.54 0.00 0.00 174.62 174.11 1ddl s ILE 173 N -3.21 0.86 0.03 2.99 -4.36 -0.41 -0.40 121.20 116.70 1ddl s ILE 173 Ca 0.34 -0.67 -0.03 0.00 -0.26 0.00 0.00 60.65 60.02 1ddl s ILE 173 Cb 0.07 -0.76 -0.02 0.00 1.25 0.00 0.00 42.46 43.01 1ddl s ILE 173 CO 0.14 0.09 0.04 0.00 0.24 0.00 0.00 174.94 175.45 1ddl s GLN 174 N -0.66 0.50 0.00 0.37 -2.07 -0.38 -0.91 119.66 116.52 1ddl s GLN 174 Ca 0.02 -0.76 0.00 0.00 -1.82 0.00 0.00 55.36 52.79 1ddl s GLN 174 Cb -0.06 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 32.05 1ddl s GLN 174 CO 0.00 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.27 1ddl n GLY 175 N 0.95 -0.81 2.88 2.60 0.00 -0.79 -1.07 105.19 108.95 1ddl n GLY 175 Ca -0.20 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.23 0.15 -0.10 1.61 -0.21 -1.00 -1.37 119.66 118.51 1ddl s GLN 176 Ca 0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 55.36 55.34 1ddl s GLN 176 Cb 0.00 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.79 1ddl s GLN 176 CO 0.00 0.00 -0.06 0.42 -2.12 0.00 0.00 175.29 173.53 1ddl s ILE 177 N 0.16 3.73 -0.19 1.08 1.01 -0.29 -0.71 121.20 125.99 1ddl s ILE 177 Ca -0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1ddl s ILE 177 Cb -0.03 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1ddl s ILE 177 CO -0.00 0.56 0.48 -1.61 0.00 0.00 0.00 174.94 174.37 1ddl s GLU 178 N -0.37 4.20 0.01 2.79 2.02 0.78 -0.44 118.70 127.70 1ddl s GLU 178 Ca 0.05 0.35 0.06 0.00 0.02 0.00 0.00 54.97 55.46 1ddl s GLU 178 Cb -0.12 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 1ddl s GLU 178 CO 0.02 -0.08 -0.16 -0.51 0.02 0.00 0.00 175.26 174.55 1ddl s LEU 179 N 1.43 2.68 0.21 1.80 1.43 0.79 -1.42 118.68 125.60 1ddl s LEU 179 Ca 0.23 -0.34 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1ddl s LEU 179 Cb -0.15 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.56 1ddl s LEU 179 CO 0.09 0.28 0.63 -0.94 0.23 0.00 0.00 176.35 176.65 1ddl s SER 180 N -1.24 -0.40 -0.35 2.29 1.04 -0.79 -1.89 113.70 112.36 1ddl s SER 180 Ca 0.14 -0.31 -0.05 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 -1.13 0.18 -1.20 0.98 0.00 0.00 173.24 172.12 1ddl n SER 181 N -0.40 -8.02 -4.62 7.02 7.64 -1.26 -2.29 113.62 111.68 1ddl n SER 181 Ca -0.11 1.17 -0.43 0.00 1.01 0.00 0.00 58.87 60.51 1ddl n SER 181 Cb 0.62 -5.37 -0.01 0.00 -1.01 0.00 0.00 64.21 58.45 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 0.40 1.55 -3.60 1.43 -0.02 -1.26 -0.53 135.00 132.97 1ddl n PRO 182 Ca 0.04 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.66 1ddl n PRO 182 Cb 0.14 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 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 4.46 -0.05 2.45 2.96 0.11 -4.67 118.68 123.83 1ddl s LEU 183 Ca 0.59 -0.71 -0.37 0.00 -0.22 0.00 0.00 54.13 53.42 1ddl s LEU 183 Cb -0.64 -2.04 -0.15 0.00 0.50 0.00 0.00 46.19 43.87 1ddl s LEU 183 CO 0.60 -0.29 1.63 0.18 -1.32 0.00 0.00 176.35 177.15 1ddl n LEU 184 N 5.02 2.54 -4.25 -0.68 4.77 -1.26 -4.78 117.00 118.36 1ddl n LEU 184 Ca -0.13 1.07 -0.14 0.00 -0.03 0.00 0.00 56.01 56.78 1ddl n LEU 184 Cb 0.48 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 1ddl n LEU 184 CO 0.36 -0.50 -0.24 -1.10 -1.33 0.00 0.00 177.39 174.58 1ddl s GLN 185 N 2.32 1.31 0.45 3.23 -0.21 -1.26 -5.15 119.66 120.34 1ddl s GLN 185 Ca 0.90 -1.70 -0.01 0.00 0.02 0.00 0.00 55.36 54.56 1ddl s GLN 185 Cb -0.88 0.07 -0.01 0.00 1.00 0.00 0.00 33.01 33.19 1ddl s GLN 185 CO 0.52 -0.37 0.69 0.00 -2.12 0.00 0.00 175.29 174.01 1ddl s ALA 186 N -3.97 3.63 0.01 6.09 0.00 -1.26 -5.01 121.76 121.25 1ddl s ALA 186 Ca 0.38 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.51 1ddl s ALA 186 Cb 0.07 -2.26 -0.24 0.00 0.00 0.00 0.00 23.12 20.68 1ddl s ALA 186 CO 0.13 -0.34 0.87 0.77 0.00 0.00 0.00 175.76 177.19 1ddl h SER 187 N 0.38 0.15 0.00 0.00 0.02 -2.04 -3.55 113.55 108.51 1ddl h SER 187 Ca -0.47 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1ddl h SER 187 Cb 1.24 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ddl h SER 187 CO 0.59 1.20 0.00 -0.24 -1.14 0.00 0.00 176.83 177.24