#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dyk s HIS 2 N 0.00 2.43 -0.10 3.17 0.09 -1.26 -4.81 115.29 114.80 2dyk s HIS 2 Ca 0.00 1.54 0.02 0.00 -0.00 0.00 0.00 55.06 56.62 2dyk s HIS 2 Cb 0.00 -3.40 0.01 0.00 -0.00 0.00 0.00 32.58 29.19 2dyk s HIS 2 CO 0.00 -2.08 -0.16 0.21 -0.00 0.00 0.00 174.74 172.71 2dyk s LYS 3 N -3.50 2.23 -0.08 1.40 2.20 -1.26 -0.09 119.74 120.64 2dyk s LYS 3 Ca 0.75 -0.58 0.05 0.00 -0.36 0.00 0.00 55.97 55.83 2dyk s LYS 3 Cb -0.28 -1.85 -0.00 0.00 -1.51 0.00 0.00 37.83 34.19 2dyk s LYS 3 CO 0.35 -0.01 -0.24 0.08 -0.36 0.00 0.00 175.35 175.17 2dyk s VAL 4 N 0.82 2.00 -0.07 4.02 1.01 0.25 -0.85 120.40 127.58 2dyk s VAL 4 Ca -0.10 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 60.90 2dyk s VAL 4 Cb -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2dyk s VAL 4 CO 0.01 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 174.79 2dyk s VAL 5 N 0.11 1.56 -0.11 2.92 1.01 -0.56 -0.51 120.40 124.82 2dyk s VAL 5 Ca -0.11 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2dyk s VAL 5 Cb -0.16 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2dyk s VAL 5 CO 0.06 0.45 0.45 -0.63 0.00 0.00 0.00 175.10 175.43 2dyk s ILE 6 N 0.35 5.18 -0.01 2.22 1.01 0.13 -0.06 121.20 130.03 2dyk s ILE 6 Ca -0.13 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.44 2dyk s ILE 6 Cb -0.15 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 2dyk s ILE 6 CO 0.05 0.37 -0.08 -0.69 0.00 0.00 0.00 174.94 174.59 2dyk s VAL 7 N 0.38 0.63 0.00 2.92 1.01 -0.04 -2.37 120.40 122.94 2dyk s VAL 7 Ca 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2dyk s VAL 7 Cb -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2dyk s VAL 7 CO 0.10 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2dyk n GLY 8 N 2.87 2.15 3.71 4.51 0.00 -1.26 -0.61 105.19 116.56 2dyk n GLY 8 Ca -0.13 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 2dyk n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dyk s ARG 9 N -2.00 1.02 0.58 1.61 1.70 -1.26 -4.78 118.95 115.82 2dyk s ARG 9 Ca 0.00 0.71 -0.20 0.00 -0.47 0.00 0.00 55.73 55.77 2dyk s ARG 9 Cb 0.00 -1.79 -0.03 0.00 -0.57 0.00 0.00 34.95 32.56 2dyk s ARG 9 CO 0.00 -2.38 1.34 -2.14 -1.08 0.00 0.00 175.30 171.04 2dyk s PRO 10 N -4.96 2.92 -0.90 3.89 0.02 -1.26 -3.55 135.00 131.16 2dyk s PRO 10 Ca 0.64 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2dyk s PRO 10 Cb -0.18 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.24 2dyk s PRO 10 CO 0.57 -1.34 0.00 0.09 -0.33 0.00 0.00 177.00 175.99 2dyk n ASN 11 N -1.35 -4.79 -0.18 2.53 3.02 -1.26 -4.88 115.26 108.35 2dyk n ASN 11 Ca 0.12 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 55.02 2dyk n ASN 11 Cb 0.46 -3.03 0.46 0.00 -0.61 0.00 0.00 39.78 37.05 2dyk n ASN 11 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2dyk n VAL 12 N -2.50 0.00 0.00 2.41 0.24 -1.23 -4.93 118.33 112.32 2dyk n VAL 12 Ca -0.09 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2dyk n VAL 12 Cb 0.41 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2dyk n VAL 12 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dyk n GLY 13 N 1.33 1.45 0.19 7.63 0.00 -1.26 -4.64 105.19 109.89 2dyk n GLY 13 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2dyk n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dyk h LYS 14 N 0.00 0.59 -0.18 1.61 1.57 -1.91 -1.61 116.57 116.64 2dyk h LYS 14 Ca 0.00 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.49 2dyk h LYS 14 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2dyk h LYS 14 CO 0.00 0.67 -0.44 0.66 -0.57 0.00 0.00 179.45 179.76 2dyk h SER 15 N 0.43 0.47 -0.41 0.86 4.64 -1.98 0.11 113.55 117.66 2dyk h SER 15 Ca 0.11 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.14 2dyk h SER 15 Cb 0.36 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2dyk h SER 15 CO 0.01 0.85 -0.04 0.28 -0.87 0.00 0.00 176.83 177.06 2dyk h SER 16 N 0.36 0.75 -0.44 4.97 0.02 -1.97 -1.17 113.55 116.06 2dyk h SER 16 Ca 0.03 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 2dyk h SER 16 Cb 0.92 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2dyk h SER 16 CO 0.08 0.90 0.15 0.25 -1.14 0.00 0.00 176.83 177.07 2dyk h LEU 17 N 0.58 0.63 -0.44 5.07 5.85 -1.04 -2.09 115.31 123.87 2dyk h LEU 17 Ca 0.11 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2dyk h LEU 17 Cb 0.54 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 2dyk h LEU 17 CO 0.03 0.66 0.11 0.15 -0.34 0.00 0.00 178.44 179.05 2dyk h PHE 18 N 0.57 0.19 -0.51 1.25 3.57 -0.63 -0.90 116.94 120.49 2dyk h PHE 18 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2dyk h PHE 18 Cb 0.24 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2dyk h PHE 18 CO 0.01 0.04 0.11 -0.91 -2.23 0.00 0.00 178.31 175.33 2dyk h ASN 19 N 0.26 0.74 -0.35 0.41 2.35 -0.99 -0.96 115.58 117.04 2dyk h ASN 19 Ca 0.21 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2dyk h ASN 19 Cb 0.25 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2dyk h ASN 19 CO -0.26 0.74 -0.15 0.03 -1.65 0.00 0.00 177.43 176.14 2dyk h ARG 20 N 0.76 0.72 -0.48 0.81 2.47 -0.86 -2.39 114.38 115.40 2dyk h ARG 20 Ca 0.17 -0.31 -0.10 0.00 -1.26 0.00 0.00 59.98 58.48 2dyk h ARG 20 Cb 0.31 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 2dyk h ARG 20 CO 0.00 0.91 -0.10 -0.07 0.56 0.00 0.00 179.97 181.27 2dyk h LEU 21 N 0.50 0.87 -0.89 3.04 3.38 -0.92 -2.08 115.31 119.20 2dyk h LEU 21 Ca 0.08 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 2dyk h LEU 21 Cb 0.69 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2dyk h LEU 21 CO 0.05 0.99 0.04 0.25 0.09 0.00 0.00 178.44 179.86 2dyk h LEU 22 N 0.79 0.82 -0.16 1.67 5.85 -1.14 -2.46 115.31 120.68 2dyk h LEU 22 Ca 0.13 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2dyk h LEU 22 Cb 0.61 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2dyk h LEU 22 CO 0.04 0.86 -0.05 0.29 -0.34 0.00 0.00 178.44 179.24 2dyk n LYS 23 N -4.22 0.74 -1.92 1.25 5.02 -0.91 -4.77 118.16 113.35 2dyk n LYS 23 Ca 0.03 -0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 55.78 2dyk n LYS 23 Cb 0.29 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.82 2dyk n LYS 23 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dyk s LYS 24 N -2.37 3.45 0.00 1.97 2.47 -0.82 -5.04 119.74 119.41 2dyk s LYS 24 Ca 0.34 2.15 0.00 0.00 -1.56 0.00 0.00 55.97 56.89 2dyk s LYS 24 Cb 0.21 -2.40 0.00 0.00 -1.46 0.00 0.00 37.83 34.17 2dyk s LYS 24 CO 0.44 -0.92 0.00 0.54 0.16 0.00 0.00 175.35 175.57 2dyk n ARG 25 N -0.66 1.71 0.00 4.03 1.74 -1.26 -4.59 116.66 117.63 2dyk n ARG 25 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2dyk n ARG 25 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 2dyk n ARG 25 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2dyk n SER 26 N -0.98 0.00 0.00 0.55 3.41 -1.26 -4.80 113.62 110.54 2dyk n SER 26 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2dyk n SER 26 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2dyk n SER 26 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dyk n ASP 38 N 0.00 0.00 -4.83 4.04 8.00 -1.26 -4.96 116.55 117.54 2dyk n ASP 38 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 2dyk n ASP 38 Cb 0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 2dyk n ASP 38 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dyk s LEU 39 N -1.34 3.67 -0.14 0.64 1.43 -1.26 -3.74 118.68 117.94 2dyk s LEU 39 Ca 0.00 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 2dyk s LEU 39 Cb 0.00 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 2dyk s LEU 39 CO 0.00 -0.62 -0.15 -0.54 0.23 0.00 0.00 176.35 175.27 2dyk s LYS 40 N -3.89 3.28 -0.03 1.70 1.02 -0.96 -4.98 119.74 115.87 2dyk s LYS 40 Ca 0.60 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.90 2dyk s LYS 40 Cb -0.11 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2dyk s LYS 40 CO 0.29 0.11 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.46 2dyk s GLU 41 N 0.59 1.54 -0.07 1.68 2.02 -1.26 -0.98 118.70 122.22 2dyk s GLU 41 Ca -0.09 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.12 2dyk s GLU 41 Cb -0.16 -1.38 0.05 0.00 0.10 0.00 0.00 34.13 32.74 2dyk s GLU 41 CO 0.03 0.25 0.53 0.20 0.02 0.00 0.00 175.26 176.29 2dyk s GLY 42 N -0.05 -0.40 -0.30 -1.39 0.00 -0.20 -4.99 107.32 99.99 2dyk s GLY 42 Ca -0.01 1.04 -0.18 0.00 0.00 0.00 0.00 44.72 45.58 2dyk s GLY 42 CO 0.01 0.76 0.50 0.14 0.00 0.00 0.00 173.10 174.51 2dyk s VAL 43 N -0.92 5.06 -0.10 1.40 1.01 -1.26 0.51 120.40 126.09 2dyk s VAL 43 Ca -0.10 0.60 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 2dyk s VAL 43 Cb -0.03 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2dyk s VAL 43 CO 0.06 -0.04 0.44 -0.69 0.00 0.00 0.00 175.10 174.87 2dyk s VAL 44 N 2.33 5.17 -0.04 2.92 1.01 0.19 -4.90 120.40 127.08 2dyk s VAL 44 Ca 0.19 0.88 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 2dyk s VAL 44 Cb -0.16 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2dyk s VAL 44 CO 0.11 0.39 0.03 -0.70 0.00 0.00 0.00 175.10 174.93 2dyk s GLU 45 N 0.24 0.14 0.17 2.72 2.12 -1.26 -1.59 118.70 121.24 2dyk s GLU 45 Ca 0.24 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.79 2dyk s GLU 45 Cb -0.15 -0.50 -0.00 0.00 0.26 0.00 0.00 34.13 33.73 2dyk s GLU 45 CO 0.10 -0.23 0.20 0.25 -0.54 0.00 0.00 175.26 175.05 2dyk n THR 46 N 4.66 0.00 0.27 -1.70 -2.24 -0.89 -4.49 114.28 109.90 2dyk n THR 46 Ca -0.17 -1.04 0.16 0.00 -2.27 0.00 0.00 64.05 60.74 2dyk n THR 46 Cb 0.50 0.58 0.79 0.00 -2.10 0.00 0.00 70.33 70.11 2dyk n THR 46 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2dyk h ASP 47 N 1.01 0.00 1.67 3.42 3.04 -1.93 -1.33 116.42 122.30 2dyk h ASP 47 Ca -0.13 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.66 2dyk h ASP 47 Cb 0.60 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.89 2dyk h ASP 47 CO 0.18 0.00 0.00 0.03 -2.04 0.00 0.00 179.24 177.41 2dyk h ARG 48 N 0.00 0.00 0.00 4.15 3.08 -1.98 -3.50 114.38 116.13 2dyk h ARG 48 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dyk h ARG 48 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2dyk h ARG 48 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2dyk n GLY 49 N 0.93 0.72 3.24 0.04 0.00 -0.50 -5.10 105.19 104.51 2dyk n GLY 49 Ca 0.04 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.83 2dyk n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dyk s ARG 50 N -1.13 1.02 0.13 1.61 1.70 -1.26 -2.10 118.95 118.92 2dyk s ARG 50 Ca 0.00 -1.31 -0.15 0.00 -0.47 0.00 0.00 55.73 53.80 2dyk s ARG 50 Cb 0.00 -0.76 0.03 0.00 -0.57 0.00 0.00 34.95 33.65 2dyk s ARG 50 CO 0.00 0.13 0.39 -0.59 -1.08 0.00 0.00 175.30 174.15 2dyk s PHE 51 N -2.61 -0.15 -0.24 5.89 -0.12 -0.62 -4.44 117.98 115.69 2dyk s PHE 51 Ca 0.11 -0.18 -0.17 0.00 -0.05 0.00 0.00 56.93 56.64 2dyk s PHE 51 Cb -0.02 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2dyk s PHE 51 CO 0.02 -0.71 0.47 -1.17 -0.05 0.00 0.00 175.22 173.79 2dyk s LEU 52 N -2.82 4.09 -0.17 -1.99 2.96 0.87 -0.63 118.68 120.99 2dyk s LEU 52 Ca 0.04 0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 54.38 2dyk s LEU 52 Cb 0.02 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 2dyk s LEU 52 CO -0.11 -0.21 0.15 -0.22 -1.32 0.00 0.00 176.35 174.64 2dyk s LEU 53 N 1.95 4.28 -0.08 -0.68 2.96 0.18 -0.59 118.68 126.70 2dyk s LEU 53 Ca 0.20 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 2dyk s LEU 53 Cb -0.15 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.44 2dyk s LEU 53 CO 0.09 0.26 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.56 2dyk s VAL 54 N -0.15 1.22 -0.20 1.68 1.01 0.33 -1.03 120.40 123.27 2dyk s VAL 54 Ca 0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2dyk s VAL 54 Cb -0.12 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2dyk s VAL 54 CO 0.01 0.38 0.05 -0.62 0.00 0.00 0.00 175.10 174.91 2dyk s ASP 55 N 0.82 5.32 0.00 3.32 2.15 -0.15 0.20 116.67 128.33 2dyk s ASP 55 Ca -0.11 -0.05 0.23 0.00 0.43 0.00 0.00 52.55 53.05 2dyk s ASP 55 Cb -0.15 -1.92 0.49 0.00 -0.30 0.00 0.00 42.92 41.04 2dyk s ASP 55 CO 0.02 0.11 1.44 0.35 -0.17 0.00 0.00 175.17 176.91 2dyk n THR 56 N 3.98 0.59 -0.31 1.71 -2.24 -1.00 -2.27 114.28 114.74 2dyk n THR 56 Ca -0.17 -0.78 0.10 0.00 -2.27 0.00 0.00 64.05 60.94 2dyk n THR 56 Cb 0.52 0.84 0.32 0.00 -2.10 0.00 0.00 70.33 69.91 2dyk n THR 56 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2dyk h GLY 57 N 4.55 1.39 2.00 3.38 0.00 -1.86 -0.79 103.07 111.73 2dyk h GLY 57 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2dyk h GLY 57 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.26 2dyk n GLY 58 N -1.40 -1.08 0.21 4.60 0.00 -1.25 -2.34 105.19 103.94 2dyk n GLY 58 Ca 0.18 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.49 2dyk n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dyk h LEU 59 N 0.00 0.00 -9.76 0.99 3.38 -1.32 -3.44 115.31 105.16 2dyk h LEU 59 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2dyk h LEU 59 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2dyk h LEU 59 CO 0.00 0.00 0.12 0.26 0.09 0.00 0.00 178.44 178.91 2dyk s TRP 60 N -3.39 3.80 -0.17 1.13 0.52 -0.99 -4.78 118.94 115.08 2dyk s TRP 60 Ca 0.05 1.49 -0.14 0.00 0.02 0.00 0.00 56.10 57.52 2dyk s TRP 60 Cb 0.08 -2.67 -0.09 0.00 -1.15 0.00 0.00 33.47 29.64 2dyk s TRP 60 CO 0.56 0.47 -0.00 1.03 0.02 0.00 0.00 176.95 179.02 2dyk h SER 61 N 4.06 0.00 -1.39 2.95 0.87 -1.89 -3.49 113.55 114.66 2dyk h SER 61 Ca -0.48 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2dyk h SER 61 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2dyk h SER 61 CO 0.65 1.03 0.00 0.61 -0.53 0.00 0.00 176.83 178.59 2dyk n GLY 62 N 1.55 7.13 1.15 5.77 0.00 -1.26 -5.05 105.19 114.49 2dyk n GLY 62 Ca -0.16 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 43.87 2dyk n GLY 62 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dyk n ASP 63 N -0.20 3.36 -4.71 1.61 5.75 -1.26 -4.79 116.55 116.31 2dyk n ASP 63 Ca 0.00 -2.21 -0.35 0.00 -0.01 0.00 0.00 54.79 52.22 2dyk n ASP 63 Cb 0.00 -0.44 -0.09 0.00 -1.03 0.00 0.00 41.12 39.56 2dyk n ASP 63 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2dyk s LYS 64 N -1.59 3.27 -0.10 0.11 2.20 -1.26 -4.82 119.74 117.55 2dyk s LYS 64 Ca 0.37 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 2dyk s LYS 64 Cb 0.22 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.56 2dyk s LYS 64 CO 0.20 0.64 1.24 -0.46 -0.36 0.00 0.00 175.35 176.61 2dyk s TRP 65 N -0.67 3.01 0.07 4.03 -0.00 -1.26 -4.94 118.94 119.18 2dyk s TRP 65 Ca 0.11 1.09 0.01 0.00 -0.00 0.00 0.00 56.10 57.31 2dyk s TRP 65 Cb -0.12 -3.47 -0.04 0.00 -0.00 0.00 0.00 33.47 29.84 2dyk s TRP 65 CO 0.02 -1.56 -0.05 -2.00 -0.00 0.00 0.00 176.95 173.36 2dyk s GLU 66 N 2.81 0.70 0.30 5.86 2.12 -1.26 -5.04 118.70 124.19 2dyk s GLU 66 Ca 0.56 -1.21 0.05 0.00 0.36 0.00 0.00 54.97 54.73 2dyk s GLU 66 Cb -0.24 -0.06 0.72 0.00 0.26 0.00 0.00 34.13 34.81 2dyk s GLU 66 CO 0.19 -0.04 1.77 -0.22 -0.54 0.00 0.00 175.26 176.42 2dyk h LYS 67 N 3.26 0.71 -0.45 4.30 3.64 -1.99 -0.02 116.57 126.02 2dyk h LYS 67 Ca -0.35 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2dyk h LYS 67 Cb 1.16 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2dyk h LYS 67 CO 0.62 0.47 0.30 0.87 -2.27 0.00 0.00 179.45 179.44 2dyk h LYS 68 N 0.73 0.60 -0.19 1.90 1.57 -1.99 -1.26 116.57 117.93 2dyk h LYS 68 Ca 0.57 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 59.23 2dyk h LYS 68 Cb 0.88 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2dyk h LYS 68 CO -0.39 0.39 -0.18 0.82 -0.57 0.00 0.00 179.45 179.53 2dyk h ILE 69 N 0.61 1.33 -0.98 1.86 2.04 -1.58 -2.82 117.51 117.97 2dyk h ILE 69 Ca 0.17 -1.33 0.11 0.00 1.00 0.00 0.00 64.86 64.80 2dyk h ILE 69 Cb -0.07 1.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.69 2dyk h ILE 69 CO -0.04 0.40 0.63 -0.61 0.00 0.00 0.00 178.15 178.53 2dyk h GLN 70 N 0.14 0.97 -0.20 2.37 4.15 -0.80 0.13 115.11 121.87 2dyk h GLN 70 Ca 0.03 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2dyk h GLN 70 Cb 0.72 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2dyk h GLN 70 CO 0.05 0.64 -0.29 1.49 -1.93 0.00 0.00 178.83 178.79 2dyk h GLU 71 N 1.00 0.39 -0.20 1.69 4.81 -1.18 0.92 114.58 122.01 2dyk h GLU 71 Ca 0.47 -0.15 -0.11 0.00 -0.13 0.00 0.00 59.36 59.44 2dyk h GLU 71 Cb 0.43 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 2dyk h GLU 71 CO -0.23 0.65 -0.29 0.87 -0.73 0.00 0.00 179.01 179.27 2dyk h LYS 72 N 0.34 0.56 -0.67 1.92 1.57 -0.83 -2.98 116.57 116.48 2dyk h LYS 72 Ca 0.05 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 2dyk h LYS 72 Cb 0.69 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2dyk h LYS 72 CO 0.05 0.93 0.18 0.28 -0.57 0.00 0.00 179.45 180.32 2dyk h VAL 73 N 0.23 1.25 -0.67 0.50 2.07 -0.59 -2.19 116.25 116.86 2dyk h VAL 73 Ca 0.02 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.72 2dyk h VAL 73 Cb 0.87 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2dyk h VAL 73 CO 0.07 0.35 0.33 0.44 0.02 0.00 0.00 177.57 178.78 2dyk h ASP 74 N 1.00 0.44 -0.46 0.57 3.32 -0.79 -0.12 116.42 120.38 2dyk h ASP 74 Ca 0.21 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 2dyk h ASP 74 Cb 0.33 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2dyk h ASP 74 CO -0.00 0.27 -0.10 0.03 -1.72 0.00 0.00 179.24 177.72 2dyk h ARG 75 N 0.59 0.87 -0.06 3.56 3.08 -1.33 -2.63 114.38 118.46 2dyk h ARG 75 Ca 0.32 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2dyk h ARG 75 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2dyk h ARG 75 CO -0.24 0.97 -0.14 0.00 -1.07 0.00 0.00 179.97 179.49 2dyk h ALA 76 N 0.88 1.67 -0.01 0.04 0.00 -0.75 -2.18 119.26 118.91 2dyk h ALA 76 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dyk h ALA 76 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dyk h ALA 76 CO 0.04 0.25 -0.11 1.28 0.00 0.00 0.00 179.25 180.71 2dyk n LEU 77 N -4.33 0.70 -0.24 0.00 4.77 -0.13 -4.58 117.00 113.20 2dyk n LEU 77 Ca -0.02 -0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 55.77 2dyk n LEU 77 Cb 0.23 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2dyk n LEU 77 CO 0.37 0.13 0.36 1.21 -1.33 0.00 0.00 177.39 178.12 2dyk n GLU 78 N -0.71 -0.25 -0.89 3.23 2.13 -0.82 -1.68 120.64 121.65 2dyk n GLU 78 Ca 0.16 1.03 -0.08 0.00 0.66 0.00 0.00 57.16 58.93 2dyk n GLU 78 Cb 0.29 -1.52 0.20 0.00 0.27 0.00 0.00 31.44 30.67 2dyk n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dyk n ASP 79 N -4.41 2.73 -4.74 4.31 8.00 -1.26 -5.02 116.55 116.16 2dyk n ASP 79 Ca 0.01 -3.74 -0.41 0.00 0.71 0.00 0.00 54.79 51.36 2dyk n ASP 79 Cb 0.15 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 2dyk n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dyk s ALA 80 N -3.26 3.41 -0.11 2.24 0.00 -0.68 -4.59 121.76 118.79 2dyk s ALA 80 Ca 0.47 0.90 0.11 0.00 0.00 0.00 0.00 51.96 53.44 2dyk s ALA 80 Cb 0.42 -3.38 -0.24 0.00 0.00 0.00 0.00 23.12 19.92 2dyk s ALA 80 CO 0.02 -0.30 0.42 0.39 0.00 0.00 0.00 175.76 176.29 2dyk n GLU 81 N 2.32 0.66 -3.84 0.00 4.71 -0.03 -4.96 120.64 119.51 2dyk n GLU 81 Ca 0.03 0.20 -0.12 0.00 -0.01 0.00 0.00 57.16 57.26 2dyk n GLU 81 Cb 0.45 -1.70 -0.12 0.00 -1.01 0.00 0.00 31.44 29.06 2dyk n GLU 81 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2dyk s VAL 82 N -2.56 0.02 -0.11 2.62 1.01 -1.17 -4.21 120.40 116.00 2dyk s VAL 82 Ca -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 2dyk s VAL 82 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 2dyk s VAL 82 CO 0.81 -0.08 -0.09 -0.69 0.00 0.00 0.00 175.10 175.05 2dyk s VAL 83 N -0.21 3.42 -0.40 2.92 1.01 -0.05 -1.50 120.40 125.58 2dyk s VAL 83 Ca -0.03 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 2dyk s VAL 83 Cb -0.02 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.99 2dyk s VAL 83 CO 0.00 0.54 0.24 -0.76 0.00 0.00 0.00 175.10 175.13 2dyk s LEU 84 N -0.05 5.00 -0.54 3.92 1.43 0.92 -0.28 118.68 129.08 2dyk s LEU 84 Ca -0.01 -1.33 -0.22 0.00 -1.03 0.00 0.00 54.13 51.54 2dyk s LEU 84 Cb -0.14 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.13 2dyk s LEU 84 CO 0.03 -0.49 0.81 0.12 0.23 0.00 0.00 176.35 177.05 2dyk s PHE 85 N 1.47 2.90 -0.23 0.29 5.36 -0.25 -0.86 117.98 126.66 2dyk s PHE 85 Ca 0.02 -0.28 -0.22 0.00 -0.96 0.00 0.00 56.93 55.49 2dyk s PHE 85 Cb -0.22 -3.86 -0.02 0.00 -0.34 0.00 0.00 43.02 38.58 2dyk s PHE 85 CO 0.04 -1.24 0.70 0.00 -1.46 0.00 0.00 175.22 173.26 2dyk s ALA 86 N 3.38 3.60 0.02 11.12 0.00 0.22 -0.53 121.76 139.56 2dyk s ALA 86 Ca 0.23 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.98 2dyk s ALA 86 Cb -0.16 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2dyk s ALA 86 CO 0.15 -0.76 -0.16 0.14 0.00 0.00 0.00 175.76 175.14 2dyk s VAL 87 N 2.41 1.24 0.14 0.00 -7.23 -0.49 -4.40 120.40 112.06 2dyk s VAL 87 Ca 0.30 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 59.30 2dyk s VAL 87 Cb -0.16 -1.07 -0.10 0.00 0.56 0.00 0.00 36.38 35.61 2dyk s VAL 87 CO 0.09 0.20 1.75 -0.62 -0.31 0.00 0.00 175.10 176.21 2dyk s ASP 88 N -0.76 6.46 0.00 4.85 -1.08 -1.26 -1.44 116.67 123.43 2dyk s ASP 88 Ca 0.05 2.73 0.29 0.00 -0.52 0.00 0.00 52.55 55.09 2dyk s ASP 88 Cb -0.07 -2.58 1.16 0.00 -1.46 0.00 0.00 42.92 39.97 2dyk s ASP 88 CO 0.00 -0.96 1.86 0.61 0.52 0.00 0.00 175.17 177.20 2dyk n GLY 89 N 4.08 -1.38 0.50 2.66 0.00 0.12 -4.22 105.19 106.95 2dyk n GLY 89 Ca 0.17 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2dyk n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dyk n ARG 90 N -1.42 0.30 -1.50 1.61 1.74 -1.26 -4.80 116.66 111.33 2dyk n ARG 90 Ca 0.08 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.96 2dyk n ARG 90 Cb 0.32 -1.03 0.07 0.00 -1.02 0.00 0.00 32.46 30.81 2dyk n ARG 90 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dyk s ALA 91 N -2.25 2.34 0.59 7.54 0.00 -1.26 -5.00 121.76 123.71 2dyk s ALA 91 Ca -0.19 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.04 2dyk s ALA 91 Cb 0.07 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2dyk s ALA 91 CO 0.25 -1.55 1.07 -1.21 0.00 0.00 0.00 175.76 174.32 2dyk s GLU 92 N -4.47 3.28 0.40 0.00 0.41 -1.26 -4.80 118.70 112.25 2dyk s GLU 92 Ca 0.64 1.28 -0.27 0.00 -0.41 0.00 0.00 54.97 56.22 2dyk s GLU 92 Cb -0.19 -2.02 -0.09 0.00 -1.78 0.00 0.00 34.13 30.04 2dyk s GLU 92 CO 0.49 -0.85 1.40 -0.51 -0.49 0.00 0.00 175.26 175.29 2dyk s LEU 93 N -4.42 4.24 0.36 1.80 1.43 -1.26 -4.99 118.68 115.85 2dyk s LEU 93 Ca 0.65 2.86 0.08 0.00 -1.03 0.00 0.00 54.13 56.69 2dyk s LEU 93 Cb -0.17 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 2dyk s LEU 93 CO 0.35 -0.92 0.24 0.42 0.23 0.00 0.00 176.35 176.68 2dyk s THR 94 N -1.18 3.01 0.27 5.49 -4.23 -1.26 -4.99 115.64 112.74 2dyk s THR 94 Ca 0.56 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 2dyk s THR 94 Cb -0.43 -3.05 0.26 0.00 1.34 0.00 0.00 72.50 70.63 2dyk s THR 94 CO 0.56 -0.12 1.85 -0.61 -0.54 0.00 0.00 174.62 175.77 2dyk h GLN 95 N 1.33 1.02 -0.93 3.99 4.15 -1.99 -0.58 115.11 122.10 2dyk h GLN 95 Ca -0.43 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 58.93 2dyk h GLN 95 Cb 1.26 -0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.67 2dyk h GLN 95 CO 0.61 0.68 0.61 0.00 -1.93 0.00 0.00 178.83 178.80 2dyk h ALA 96 N 1.48 1.17 -0.01 3.38 0.00 -1.95 -0.89 119.26 122.43 2dyk h ALA 96 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2dyk h ALA 96 Cb 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2dyk h ALA 96 CO -0.21 0.58 0.00 -0.44 0.00 0.00 0.00 179.25 179.18 2dyk h ASP 97 N 1.26 0.00 -0.38 0.00 3.32 -1.53 -0.59 116.42 118.50 2dyk h ASP 97 Ca 0.34 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2dyk h ASP 97 Cb -0.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2dyk h ASP 97 CO -0.07 0.00 0.20 1.88 -1.72 0.00 0.00 179.24 179.53 2dyk h TYR 98 N 0.01 0.56 -0.15 4.55 0.05 -0.97 -0.04 116.97 120.98 2dyk h TYR 98 Ca 0.01 -0.01 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 2dyk h TYR 98 Cb 0.00 -0.18 0.01 0.00 1.01 0.00 0.00 36.73 37.57 2dyk h TYR 98 CO -0.08 0.42 -0.77 0.93 -1.05 0.00 0.00 178.16 177.60 2dyk h GLU 99 N 0.58 0.76 -0.18 4.88 5.08 -0.83 -2.18 114.58 122.69 2dyk h GLU 99 Ca 0.15 -0.62 -0.11 0.00 -1.00 0.00 0.00 59.36 57.78 2dyk h GLU 99 Cb 0.06 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2dyk h GLU 99 CO -0.02 1.23 -0.35 0.28 -1.00 0.00 0.00 179.01 179.15 2dyk h VAL 100 N 0.52 1.29 -0.28 3.13 2.07 -0.79 -1.67 116.25 120.52 2dyk h VAL 100 Ca -0.05 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 2dyk h VAL 100 Cb 1.40 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2dyk h VAL 100 CO 0.16 0.44 0.12 0.00 0.02 0.00 0.00 177.57 178.31 2dyk h ALA 101 N 1.31 0.37 -0.56 1.67 0.00 -0.92 -0.73 119.26 120.39 2dyk h ALA 101 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2dyk h ALA 101 Cb 0.77 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2dyk h ALA 101 CO 0.06 -0.04 0.07 1.49 0.00 0.00 0.00 179.25 180.83 2dyk h GLU 102 N 0.31 0.91 -0.65 0.00 4.57 -1.18 -1.41 114.58 117.13 2dyk h GLU 102 Ca 0.10 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2dyk h GLU 102 Cb 0.17 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2dyk h GLU 102 CO -0.01 0.86 0.31 -0.92 -1.18 0.00 0.00 179.01 178.07 2dyk h TYR 103 N 0.86 0.94 -0.32 0.92 3.20 -1.07 -1.73 116.97 119.76 2dyk h TYR 103 Ca 0.17 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 2dyk h TYR 103 Cb 0.41 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2dyk h TYR 103 CO 0.02 0.70 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.91 2dyk h LEU 104 N 0.90 0.68 -0.49 2.82 3.38 -0.68 -0.04 115.31 121.88 2dyk h LEU 104 Ca 0.22 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2dyk h LEU 104 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2dyk h LEU 104 CO -0.03 0.92 0.09 0.03 0.09 0.00 0.00 178.44 179.54 2dyk h ARG 105 N 0.57 0.80 -0.70 1.13 3.08 -1.11 -2.33 114.38 115.82 2dyk h ARG 105 Ca 0.07 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 2dyk h ARG 105 Cb 0.76 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2dyk h ARG 105 CO 0.06 0.80 0.18 0.00 -1.07 0.00 0.00 179.97 179.93 2dyk h ARG 106 N 0.68 1.12 -0.32 0.04 3.08 -1.04 -2.77 114.38 115.16 2dyk h ARG 106 Ca 0.15 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2dyk h ARG 106 Cb 0.38 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2dyk h ARG 106 CO 0.01 0.99 0.21 0.87 -1.07 0.00 0.00 179.97 180.98 2dyk h LYS 107 N 1.06 0.42 -0.68 0.04 1.79 -0.73 -3.47 116.57 114.99 2dyk h LYS 107 Ca 0.22 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.46 2dyk h LYS 107 Cb 0.37 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.85 2dyk h LYS 107 CO 0.00 0.28 -0.21 0.41 -1.08 0.00 0.00 179.45 178.85 2dyk n GLY 108 N -1.49 0.94 3.88 3.86 0.00 -0.90 -5.03 105.19 106.45 2dyk n GLY 108 Ca 0.02 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2dyk n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dyk s LYS 109 N -3.19 3.75 0.17 1.61 1.02 -1.26 -5.01 119.74 116.83 2dyk s LYS 109 Ca 0.00 0.16 -0.33 0.00 0.02 0.00 0.00 55.97 55.82 2dyk s LYS 109 Cb 0.00 -2.84 -0.15 0.00 -0.52 0.00 0.00 37.83 34.32 2dyk s LYS 109 CO 0.00 0.45 1.36 -2.30 -0.92 0.00 0.00 175.35 173.94 2dyk n PRO 110 N 0.35 1.62 -4.93 -1.68 -0.02 -1.26 -4.80 135.00 124.28 2dyk n PRO 110 Ca -0.04 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.74 2dyk n PRO 110 Cb 0.52 -2.21 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 2dyk n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dyk s VAL 111 N 0.22 1.63 -0.24 -1.45 1.01 -1.26 -0.87 120.40 119.44 2dyk s VAL 111 Ca 0.75 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2dyk s VAL 111 Cb -0.78 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2dyk s VAL 111 CO 0.47 0.46 0.03 -0.63 0.00 0.00 0.00 175.10 175.43 2dyk s ILE 112 N 0.44 3.93 -0.23 2.22 1.01 0.62 -4.96 121.20 124.24 2dyk s ILE 112 Ca -0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 59.91 2dyk s ILE 112 Cb -0.16 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2dyk s ILE 112 CO 0.06 0.36 0.92 -0.22 0.00 0.00 0.00 174.94 176.06 2dyk s LEU 113 N 1.56 4.10 -0.20 2.97 2.96 -1.26 -1.09 118.68 127.72 2dyk s LEU 113 Ca 0.06 1.20 -0.03 0.00 -0.22 0.00 0.00 54.13 55.14 2dyk s LEU 113 Cb -0.15 -3.34 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 2dyk s LEU 113 CO 0.01 -0.57 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.72 2dyk s VAL 114 N 2.90 3.33 -0.21 1.68 1.01 0.31 -0.55 120.40 128.88 2dyk s VAL 114 Ca 0.39 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2dyk s VAL 114 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2dyk s VAL 114 CO 0.08 0.45 0.37 0.00 0.00 0.00 0.00 175.10 175.99 2dyk s ALA 115 N 1.21 3.56 0.30 5.51 0.00 -0.49 -1.40 121.76 130.45 2dyk s ALA 115 Ca 0.02 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.46 2dyk s ALA 115 Cb -0.14 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 2dyk s ALA 115 CO -0.02 -0.31 0.40 0.95 0.00 0.00 0.00 175.76 176.78 2dyk s THR 116 N 1.32 4.39 -1.91 0.00 -4.23 -0.52 0.13 115.64 114.81 2dyk s THR 116 Ca 0.17 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2dyk s THR 116 Cb -0.15 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2dyk s THR 116 CO 0.08 -0.22 0.00 0.29 -0.54 0.00 0.00 174.62 174.22 2dyk n LYS 117 N -1.51 -1.52 -2.41 3.99 5.02 -1.02 0.10 118.16 120.81 2dyk n LYS 117 Ca -0.03 1.08 -0.43 0.00 -2.02 0.00 0.00 58.31 56.91 2dyk n LYS 117 Cb 0.58 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 30.00 2dyk n LYS 117 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dyk n VAL 118 N -3.32 3.95 0.22 -0.18 0.31 0.80 -4.70 118.33 115.41 2dyk n VAL 118 Ca -0.22 -4.00 0.08 0.00 -0.01 0.00 0.00 64.34 60.18 2dyk n VAL 118 Cb 0.67 -2.44 0.50 0.00 -0.91 0.00 0.00 33.84 31.67 2dyk n VAL 118 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2dyk h ASP 119 N 6.81 0.00 -4.63 4.52 3.32 -1.90 -3.39 116.42 121.16 2dyk h ASP 119 Ca 0.44 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 57.19 2dyk h ASP 119 Cb 0.78 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.11 2dyk h ASP 119 CO 1.55 0.26 -0.74 -0.62 -1.72 0.00 0.00 179.24 177.96 2dyk s ASP 120 N -6.47 0.99 0.52 6.45 -1.08 -1.26 -4.91 116.67 110.91 2dyk s ASP 120 Ca -0.02 -0.51 0.29 0.00 -0.52 0.00 0.00 52.55 51.79 2dyk s ASP 120 Cb 0.13 0.01 1.43 0.00 -1.46 0.00 0.00 42.92 43.02 2dyk s ASP 120 CO 0.65 -0.15 1.90 -0.65 0.52 0.00 0.00 175.17 177.45 2dyk h PRO 121 N 4.63 0.04 -0.27 4.34 0.11 -2.02 -1.62 132.00 137.20 2dyk h PRO 121 Ca -0.36 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.77 2dyk h PRO 121 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2dyk h PRO 121 CO 0.42 0.03 0.18 1.57 -0.21 0.00 0.00 178.00 179.99 2dyk h LYS 122 N 0.04 0.28 0.00 1.05 2.10 -1.97 -1.05 116.57 117.02 2dyk h LYS 122 Ca 0.40 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 59.02 2dyk h LYS 122 Cb 1.54 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.80 2dyk h LYS 122 CO -0.02 0.18 -0.06 0.45 -2.00 0.00 0.00 179.45 178.00 2dyk h HIS 123 N 0.29 0.00 0.00 0.07 3.86 -1.68 -2.57 115.15 115.11 2dyk h HIS 123 Ca 0.11 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2dyk h HIS 123 Cb 0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 2dyk h HIS 123 CO -0.00 0.06 -0.15 0.93 0.86 0.00 0.00 177.93 179.63 2dyk h GLU 124 N 0.00 0.00 0.00 2.45 5.08 -1.33 -1.98 114.58 118.80 2dyk h GLU 124 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dyk h GLU 124 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2dyk h GLU 124 CO 0.01 0.15 0.00 -0.07 -1.00 0.00 0.00 179.01 178.09 2dyk h LEU 125 N 0.00 0.00 -3.50 1.33 3.38 -1.60 -3.06 115.31 111.85 2dyk h LEU 125 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2dyk h LEU 125 Cb 0.36 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2dyk h LEU 125 CO 0.02 0.00 0.12 -1.22 0.09 0.00 0.00 178.44 177.44 2dyk n TYR 126 N -2.79 1.67 0.77 1.13 4.01 -0.74 -4.53 117.16 116.67 2dyk n TYR 126 Ca -0.00 -1.22 0.11 0.00 -0.16 0.00 0.00 57.90 56.63 2dyk n TYR 126 Cb 0.19 -0.53 0.29 0.00 -0.31 0.00 0.00 39.34 38.98 2dyk n TYR 126 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2dyk n LEU 127 N -0.54 2.56 -0.33 7.72 4.77 -1.16 -4.64 117.00 125.38 2dyk n LEU 127 Ca 0.34 -1.09 0.02 0.00 -0.03 0.00 0.00 56.01 55.25 2dyk n LEU 127 Cb 1.16 -0.18 0.09 0.00 -2.33 0.00 0.00 43.42 42.16 2dyk n LEU 127 CO 0.29 0.55 0.65 1.23 -1.33 0.00 0.00 177.39 178.78 2dyk h GLY 128 N 4.80 0.44 1.16 -0.72 0.00 -1.85 0.47 103.07 107.37 2dyk h GLY 128 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 47.33 47.80 2dyk h GLY 128 CO 0.00 -0.30 0.32 -2.55 0.00 0.00 0.00 176.54 174.01 2dyk h PRO 129 N -0.02 0.00 -0.33 4.80 0.11 -1.99 -2.21 132.00 132.37 2dyk h PRO 129 Ca 0.40 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.41 2dyk h PRO 129 Cb 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2dyk h PRO 129 CO -0.93 0.00 -0.18 -0.07 -0.21 0.00 0.00 178.00 176.62 2dyk h LEU 130 N 0.00 0.59 -2.76 2.35 4.07 -1.25 -3.08 115.31 115.23 2dyk h LEU 130 Ca 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2dyk h LEU 130 Cb 0.81 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 2dyk h LEU 130 CO -0.00 0.78 0.01 1.88 -1.08 0.00 0.00 178.44 180.03 2dyk h TYR 131 N 0.54 0.00 -0.01 1.13 0.05 -1.48 -2.34 116.97 114.86 2dyk h TYR 131 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2dyk h TYR 131 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 2dyk h TYR 131 CO 0.02 0.00 -0.18 0.41 -1.05 0.00 0.00 178.16 177.36 2dyk n GLY 132 N -1.19 -0.58 0.00 3.88 0.00 -1.16 -4.00 105.19 102.14 2dyk n GLY 132 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.65 2dyk n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dyk n LEU 133 N -0.58 0.00 0.00 0.99 4.77 -0.88 -4.84 117.00 116.46 2dyk n LEU 133 Ca 0.14 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2dyk n LEU 133 Cb 0.33 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2dyk n LEU 133 CO 0.24 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2dyk n GLY 134 N -0.55 0.74 0.00 -0.72 0.00 -1.26 -4.93 105.19 98.48 2dyk n GLY 134 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2dyk n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dyk n PHE 135 N -2.80 0.00 -0.45 1.61 3.72 -1.26 -5.08 117.46 113.20 2dyk n PHE 135 Ca 0.00 -0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 2dyk n PHE 135 Cb 0.15 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2dyk n PHE 135 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dyk n GLY 136 N -0.35 -3.04 3.76 1.37 0.00 -1.26 -4.60 105.19 101.07 2dyk n GLY 136 Ca 0.00 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 2dyk n GLY 136 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dyk s ASP 137 N -1.67 6.38 0.40 1.61 1.11 -1.26 -4.68 116.67 118.56 2dyk s ASP 137 Ca 0.00 2.96 -0.23 0.00 0.18 0.00 0.00 52.55 55.46 2dyk s ASP 137 Cb 0.00 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.25 2dyk s ASP 137 CO 0.00 -0.89 1.00 -2.16 1.18 0.00 0.00 175.17 174.29 2dyk s PRO 138 N -0.92 4.23 -0.33 8.23 0.04 -1.26 -4.69 135.00 140.30 2dyk s PRO 138 Ca 0.60 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 2dyk s PRO 138 Cb -0.47 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 2dyk s PRO 138 CO 0.52 -0.05 0.37 0.42 0.04 0.00 0.00 177.00 178.29 2dyk s ILE 139 N -1.83 5.16 0.16 0.56 1.01 0.29 -4.87 121.20 121.68 2dyk s ILE 139 Ca 0.58 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 2dyk s ILE 139 Cb -0.17 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 2dyk s ILE 139 CO 0.22 -0.05 1.16 -2.16 0.00 0.00 0.00 174.94 174.11 2dyk s PRO 140 N 2.05 4.52 0.18 2.79 0.04 -1.26 -1.40 135.00 141.92 2dyk s PRO 140 Ca 0.13 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 2dyk s PRO 140 Cb -0.16 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2dyk s PRO 140 CO 0.11 -0.05 0.07 0.95 0.04 0.00 0.00 177.00 178.13 2dyk s THR 141 N 0.04 0.28 -0.19 1.26 -4.23 0.12 -4.17 115.64 108.76 2dyk s THR 141 Ca 0.52 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.01 2dyk s THR 141 Cb -0.31 -2.26 0.09 0.00 1.34 0.00 0.00 72.50 71.36 2dyk s THR 141 CO 0.35 -0.29 0.38 -0.55 -0.54 0.00 0.00 174.62 173.98 2dyk s SER 142 N -3.14 -0.11 0.14 3.99 0.15 -0.78 -0.14 113.70 113.81 2dyk s SER 142 Ca 0.30 0.88 0.12 0.00 0.70 0.00 0.00 55.95 57.94 2dyk s SER 142 Cb 0.07 1.21 -0.11 0.00 -1.71 0.00 0.00 66.02 65.47 2dyk s SER 142 CO 0.07 -0.24 1.20 0.28 1.20 0.00 0.00 173.24 175.74 2dyk h SER 143 N 8.20 0.00 -0.50 5.45 0.02 -1.91 0.35 113.55 125.15 2dyk h SER 143 Ca -0.15 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 2dyk h SER 143 Cb 1.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2dyk h SER 143 CO 0.13 0.78 0.09 -0.08 -1.14 0.00 0.00 176.83 176.61 2dyk h GLU 144 N 0.00 0.82 -0.38 3.45 4.57 -1.95 -3.20 114.58 117.89 2dyk h GLU 144 Ca -0.06 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2dyk h GLU 144 Cb 1.65 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.14 2dyk h GLU 144 CO 0.09 0.81 0.00 0.72 -1.18 0.00 0.00 179.01 179.45 2dyk n HIS 145 N -4.42 0.50 -3.79 0.92 8.25 -1.24 -4.99 115.22 110.43 2dyk n HIS 145 Ca 0.01 -0.37 -0.23 0.00 -0.26 0.00 0.00 57.72 56.88 2dyk n HIS 145 Cb 0.25 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.36 2dyk n HIS 145 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dyk n ALA 146 N 0.97 -2.02 -2.81 -1.41 0.00 -0.16 -4.99 120.51 110.09 2dyk n ALA 146 Ca 0.15 -0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2dyk n ALA 146 Cb 0.48 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 2dyk n ALA 146 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dyk s ARG 147 N -6.19 3.13 0.00 0.00 0.52 -0.07 -4.59 118.95 111.75 2dyk s ARG 147 Ca 0.01 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 2dyk s ARG 147 Cb -0.00 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.58 2dyk s ARG 147 CO 0.84 0.64 0.00 0.41 0.02 0.00 0.00 175.30 177.21 2dyk n GLY 148 N 0.96 0.53 0.26 -3.53 0.00 -1.26 -1.86 105.19 100.30 2dyk n GLY 148 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 2dyk n GLY 148 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dyk h LEU 149 N 0.00 0.63 -0.15 0.99 3.38 -1.87 -0.60 115.31 117.70 2dyk h LEU 149 Ca 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2dyk h LEU 149 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dyk h LEU 149 CO 0.00 0.79 0.03 -0.33 0.09 0.00 0.00 178.44 179.02 2dyk h GLU 150 N 0.59 0.24 -0.72 1.13 4.39 -1.93 -1.43 114.58 116.85 2dyk h GLU 150 Ca 0.10 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2dyk h GLU 150 Cb 0.56 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2dyk h GLU 150 CO 0.04 0.41 0.38 1.49 -1.16 0.00 0.00 179.01 180.16 2dyk h GLU 151 N 0.03 1.00 -0.55 2.33 4.81 -1.92 -1.79 114.58 118.48 2dyk h GLU 151 Ca 0.05 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2dyk h GLU 151 Cb 0.28 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2dyk h GLU 151 CO 0.00 0.74 -0.02 1.25 -0.73 0.00 0.00 179.01 180.26 2dyk h LEU 152 N 1.00 0.97 -0.90 1.64 5.85 -0.93 -1.92 115.31 121.03 2dyk h LEU 152 Ca 0.25 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 2dyk h LEU 152 Cb 0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2dyk h LEU 152 CO -0.04 1.05 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.90 2dyk h LEU 153 N 0.87 0.64 -0.42 2.25 3.38 -0.86 -1.11 115.31 120.07 2dyk h LEU 153 Ca 0.16 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2dyk h LEU 153 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dyk h LEU 153 CO 0.03 0.81 0.06 -0.08 0.09 0.00 0.00 178.44 179.35 2dyk h GLU 154 N 0.59 0.70 -0.60 1.13 4.81 -1.19 -1.68 114.58 118.34 2dyk h GLU 154 Ca 0.10 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2dyk h GLU 154 Cb 0.58 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 2dyk h GLU 154 CO 0.04 0.74 0.21 0.00 -0.73 0.00 0.00 179.01 179.27 2dyk h ALA 155 N 0.93 0.79 -0.01 2.92 0.00 -1.07 -2.09 119.26 120.73 2dyk h ALA 155 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dyk h ALA 155 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2dyk h ALA 155 CO 0.01 0.44 -0.06 0.82 0.00 0.00 0.00 179.25 180.46 2dyk h ILE 156 N 0.85 0.84 0.00 0.00 2.04 -1.05 -2.67 117.51 117.52 2dyk h ILE 156 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 2dyk h ILE 156 Cb 0.26 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2dyk h ILE 156 CO -0.01 0.00 -0.11 -0.50 0.00 0.00 0.00 178.15 177.53 2dyk h TRP 157 N -0.10 0.00 0.00 1.37 4.06 -1.16 -1.67 115.95 118.44 2dyk h TRP 157 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 2dyk h TRP 157 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 2dyk h TRP 157 CO -0.13 0.11 0.00 1.49 -3.56 0.00 0.00 178.44 176.35 2dyk h GLU 158 N 0.00 0.00 0.00 0.49 4.22 -1.02 -3.13 114.58 115.14 2dyk h GLU 158 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2dyk h GLU 158 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2dyk h GLU 158 CO 0.01 0.00 -0.76 0.54 -2.18 0.00 0.00 179.01 176.63 2dyk n ARG 159 N -2.80 1.82 -2.70 1.92 1.74 -0.66 -4.89 116.66 111.09 2dyk n ARG 159 Ca 0.02 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 2dyk n ARG 159 Cb 0.32 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 2dyk n ARG 159 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dyk s LEU 160 N -2.77 3.81 0.00 0.55 1.43 -0.99 -4.96 118.68 115.76 2dyk s LEU 160 Ca 0.06 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2dyk s LEU 160 Cb 0.12 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.94 2dyk s LEU 160 CO 0.64 -1.13 0.33 -0.81 0.23 0.00 0.00 176.35 175.61