#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddy s PHE 2 N 0.00 3.48 -0.17 1.12 0.40 -0.40 -4.50 117.98 117.91 3ddy s PHE 2 Ca 0.00 0.15 0.17 0.00 -0.60 0.00 0.00 56.93 56.65 3ddy s PHE 2 Cb 0.00 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.83 3ddy s PHE 2 CO 0.00 0.44 1.17 0.00 0.70 0.00 0.00 175.22 177.53 3ddy h ARG 3 N 1.77 0.00 -0.78 0.44 -0.00 -1.92 0.14 114.38 114.02 3ddy h ARG 3 Ca -0.49 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 58.92 3ddy h ARG 3 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.18 3ddy h ARG 3 CO 0.66 0.32 -0.09 0.41 0.00 0.00 0.00 179.97 181.27 3ddy n GLY 4 N 1.27 0.33 2.96 0.04 0.00 -1.26 -4.40 105.19 104.14 3ddy n GLY 4 Ca -0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 3ddy n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddy s ILE 5 N -2.37 1.95 -0.04 -0.61 1.01 -1.25 -0.88 121.20 119.02 3ddy s ILE 5 Ca 0.02 -2.05 -0.30 0.00 0.00 0.00 0.00 60.65 58.33 3ddy s ILE 5 Cb -0.01 -2.41 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 3ddy s ILE 5 CO 0.03 -0.55 1.76 -0.69 0.00 0.00 0.00 174.94 175.49 3ddy s VAL 6 N 1.09 3.40 -0.11 2.92 1.01 -1.26 -4.87 120.40 122.57 3ddy s VAL 6 Ca 0.08 0.48 0.16 0.00 0.00 0.00 0.00 61.98 62.70 3ddy s VAL 6 Cb -0.19 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 32.96 3ddy s VAL 6 CO -0.11 -0.05 1.49 1.56 0.00 0.00 0.00 175.10 177.99 3ddy h GLN 7 N 10.04 0.00 0.00 2.72 1.08 -1.82 -3.48 115.11 123.66 3ddy h GLN 7 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 3ddy h GLN 7 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3ddy h GLN 7 CO 0.95 0.48 0.00 0.41 -0.95 0.00 0.00 178.83 179.72 3ddy n GLY 8 N 1.07 0.10 3.30 3.46 0.00 -1.24 -5.01 105.19 106.87 3ddy n GLY 8 Ca 0.02 -0.92 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 3ddy n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ddy s ARG 9 N -2.00 1.71 0.46 1.61 1.70 -0.96 -1.30 118.95 120.17 3ddy s ARG 9 Ca 0.00 -0.99 0.07 0.00 -0.47 0.00 0.00 55.73 54.34 3ddy s ARG 9 Cb 0.00 -1.80 -0.00 0.00 -0.57 0.00 0.00 34.95 32.58 3ddy s ARG 9 CO 0.00 0.47 0.38 0.20 -1.08 0.00 0.00 175.30 175.27 3ddy s GLY 10 N -1.03 2.22 -0.11 3.88 0.00 -0.04 -4.30 107.32 107.93 3ddy s GLY 10 Ca 0.10 -1.74 0.02 0.00 0.00 0.00 0.00 44.72 43.10 3ddy s GLY 10 CO 0.01 -1.81 -0.18 0.14 0.00 0.00 0.00 173.10 171.27 3ddy s VAL 11 N -2.59 1.69 0.01 1.40 1.01 -0.89 -0.50 120.40 120.53 3ddy s VAL 11 Ca 0.43 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 3ddy s VAL 11 Cb -0.02 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 3ddy s VAL 11 CO 0.25 0.48 1.68 -0.63 0.00 0.00 0.00 175.10 176.88 3ddy s ILE 12 N 0.85 3.29 -0.22 2.22 1.01 0.11 -1.70 121.20 126.76 3ddy s ILE 12 Ca -0.08 0.55 0.03 0.00 0.00 0.00 0.00 60.65 61.15 3ddy s ILE 12 Cb -0.15 -3.35 -0.15 0.00 0.01 0.00 0.00 42.46 38.81 3ddy s ILE 12 CO -0.00 -0.03 -0.17 0.54 0.00 0.00 0.00 174.94 175.28 3ddy n ARG 13 N 6.43 0.62 -4.03 2.79 5.12 0.34 0.97 116.66 128.90 3ddy n ARG 13 Ca 0.17 0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 56.08 3ddy n ARG 13 Cb 0.42 -1.45 -0.12 0.00 -1.16 0.00 0.00 32.46 30.15 3ddy n ARG 13 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3ddy s SER 14 N -6.07 0.55 -0.30 0.55 1.04 -1.01 -4.77 113.70 103.69 3ddy s SER 14 Ca -0.28 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 55.69 3ddy s SER 14 Cb 0.08 0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.36 3ddy s SER 14 CO 0.54 -0.19 0.22 -0.63 0.98 0.00 0.00 173.24 174.16 3ddy s ILE 15 N -1.16 -0.22 -0.42 -1.02 1.01 -1.26 -0.15 121.20 117.98 3ddy s ILE 15 Ca -0.10 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 3ddy s ILE 15 Cb -0.08 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.43 3ddy s ILE 15 CO -0.00 -0.62 0.50 -0.94 0.00 0.00 0.00 174.94 173.88 3ddy s SER 16 N 2.14 6.24 -0.05 3.58 1.04 -0.83 -4.91 113.70 120.90 3ddy s SER 16 Ca 0.10 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.86 3ddy s SER 16 Cb -0.15 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 3ddy s SER 16 CO -0.32 -0.63 0.38 -0.54 0.98 0.00 0.00 173.24 173.12 3ddy s LYS 17 N 2.36 4.01 0.40 4.02 1.02 -1.26 -0.49 119.74 129.79 3ddy s LYS 17 Ca 0.16 0.33 0.04 0.00 0.02 0.00 0.00 55.97 56.51 3ddy s LYS 17 Cb -0.16 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3ddy s LYS 17 CO 0.15 0.54 0.12 -1.54 -0.92 0.00 0.00 175.35 173.70 3ddy s SER 18 N -0.55 2.72 0.47 2.83 1.04 0.06 -5.00 113.70 115.26 3ddy s SER 18 Ca 0.22 -1.65 0.16 0.00 0.48 0.00 0.00 55.95 55.17 3ddy s SER 18 Cb -0.15 0.45 1.13 0.00 0.10 0.00 0.00 66.02 67.55 3ddy s SER 18 CO 0.11 -0.90 2.02 -0.33 0.98 0.00 0.00 173.24 175.11 3ddy h GLU 19 N 1.83 0.26 0.00 4.02 5.08 -2.04 -3.27 114.58 120.46 3ddy h GLU 19 Ca -0.36 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 57.65 3ddy h GLU 19 Cb 1.27 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 3ddy h GLU 19 CO 0.58 0.18 -2.23 -0.25 -1.00 0.00 0.00 179.01 176.28 3ddy n ASP 20 N -4.46 2.21 -1.20 1.42 8.00 -1.26 -5.10 116.55 116.17 3ddy n ASP 20 Ca 0.07 -0.05 -0.02 0.00 0.71 0.00 0.00 54.79 55.51 3ddy n ASP 20 Cb 0.35 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 3ddy n ASP 20 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ddy n SER 21 N -3.28 -0.08 -3.97 -2.24 3.41 -1.23 -4.76 113.62 101.46 3ddy n SER 21 Ca -0.39 -1.19 -0.19 0.00 -0.26 0.00 0.00 58.87 56.84 3ddy n SER 21 Cb 0.89 0.18 -0.15 0.00 -0.26 0.00 0.00 64.21 64.87 3ddy n SER 21 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ddy s GLN 22 N -2.11 0.76 -0.41 4.33 -0.21 -0.32 -0.76 119.66 120.94 3ddy s GLN 22 Ca 0.03 -0.23 -0.16 0.00 0.02 0.00 0.00 55.36 55.02 3ddy s GLN 22 Cb 0.00 -0.74 0.02 0.00 1.00 0.00 0.00 33.01 33.29 3ddy s GLN 22 CO 0.02 0.08 0.38 0.50 -2.12 0.00 0.00 175.29 174.15 3ddy s ARG 23 N 0.23 3.06 -0.20 2.91 6.06 0.36 -0.07 118.95 131.30 3ddy s ARG 23 Ca -0.03 -0.86 -0.14 0.00 -2.50 0.00 0.00 55.73 52.20 3ddy s ARG 23 Cb -0.08 -3.97 -0.04 0.00 0.06 0.00 0.00 34.95 30.92 3ddy s ARG 23 CO 0.00 -0.80 0.29 -1.01 -2.50 0.00 0.00 175.30 171.28 3ddy s HIS 24 N 1.94 3.38 -0.46 5.12 3.76 0.02 -1.97 115.29 127.07 3ddy s HIS 24 Ca 0.09 0.49 -0.13 0.00 -0.15 0.00 0.00 55.06 55.36 3ddy s HIS 24 Cb -0.18 -2.39 0.09 0.00 1.11 0.00 0.00 32.58 31.21 3ddy s HIS 24 CO 0.12 0.09 0.36 0.20 -0.85 0.00 0.00 174.74 174.67 3ddy s GLY 25 N 0.85 2.03 -0.22 -2.22 0.00 0.78 -1.19 107.32 107.35 3ddy s GLY 25 Ca 0.15 -2.22 -0.09 0.00 0.00 0.00 0.00 44.72 42.56 3ddy s GLY 25 CO 0.05 1.05 0.12 -0.42 0.00 0.00 0.00 173.10 173.90 3ddy s ILE 26 N 1.55 5.07 -0.31 0.90 1.01 0.22 -0.50 121.20 129.13 3ddy s ILE 26 Ca 0.04 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 3ddy s ILE 26 Cb -0.25 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 38.89 3ddy s ILE 26 CO 0.04 0.38 1.01 0.00 0.00 0.00 0.00 174.94 176.37 3ddy s ALA 27 N 0.91 3.51 0.40 9.38 0.00 -0.69 -0.16 121.76 135.11 3ddy s ALA 27 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.77 3ddy s ALA 27 Cb -0.13 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 3ddy s ALA 27 CO 0.03 -1.41 0.78 -0.06 0.00 0.00 0.00 175.76 175.10 3ddy s PHE 28 N 3.48 3.46 0.56 0.00 2.99 0.11 -2.09 117.98 126.49 3ddy s PHE 28 Ca 0.42 1.09 -0.18 0.00 0.00 0.00 0.00 56.93 58.26 3ddy s PHE 28 Cb -0.13 -2.47 -0.05 0.00 0.00 0.00 0.00 43.02 40.37 3ddy s PHE 28 CO 0.14 -0.10 1.10 -1.25 -0.00 0.00 0.00 175.22 175.11 3ddy s PRO 29 N -3.76 3.35 0.12 0.24 0.04 -1.26 -4.86 135.00 128.87 3ddy s PRO 29 Ca 0.52 1.47 -0.35 0.00 0.04 0.00 0.00 61.00 62.67 3ddy s PRO 29 Cb -0.10 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 3ddy s PRO 29 CO 0.30 -0.83 1.37 0.39 0.04 0.00 0.00 177.00 178.27 3ddy n GLU 30 N -1.52 1.40 0.00 4.56 1.02 -1.26 -1.86 120.64 122.99 3ddy n GLU 30 Ca 0.11 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3ddy n GLU 30 Cb 0.52 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3ddy n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ddy n GLY 31 N 2.64 3.08 0.10 0.62 0.00 -1.26 -4.89 105.19 105.47 3ddy n GLY 31 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3ddy n GLY 31 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ddy h MET 32 N 0.55 0.11 0.00 1.61 2.86 -1.73 -3.36 114.93 114.97 3ddy h MET 32 Ca 0.00 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3ddy h MET 32 Cb 0.00 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3ddy h MET 32 CO 0.00 0.84 -0.03 0.27 1.06 0.00 0.00 176.91 179.05 3ddy h PHE 33 N 0.03 0.00 0.00 -0.22 -5.15 -1.89 -1.94 116.94 107.76 3ddy h PHE 33 Ca -0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.51 3ddy h PHE 33 Cb 1.99 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.16 3ddy h PHE 33 CO 0.03 0.03 -0.09 1.04 -2.00 0.00 0.00 178.31 177.32 3ddy n GLN 34 N -3.17 0.19 -0.02 6.09 3.00 -1.26 -3.39 117.38 118.82 3ddy n GLN 34 Ca -0.00 0.14 0.13 0.00 -0.01 0.00 0.00 57.00 57.25 3ddy n GLN 34 Cb 0.26 -1.70 0.26 0.00 0.00 0.00 0.00 30.24 29.06 3ddy n GLN 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3ddy n LEU 35 N -2.02 2.50 -4.26 1.08 4.77 -0.73 -4.95 117.00 113.39 3ddy n LEU 35 Ca 0.06 -0.88 -0.14 0.00 -0.03 0.00 0.00 56.01 55.02 3ddy n LEU 35 Cb 0.40 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 3ddy n LEU 35 CO 0.30 0.44 -0.32 0.68 -1.33 0.00 0.00 177.39 177.16 3ddy s VAL 36 N -1.94 0.73 0.40 4.08 -7.23 -1.22 -5.07 120.40 110.15 3ddy s VAL 36 Ca 0.32 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 3ddy s VAL 36 Cb 0.20 -2.20 0.06 0.00 0.56 0.00 0.00 36.38 35.00 3ddy s VAL 36 CO 0.31 -0.41 0.79 -0.62 -0.31 0.00 0.00 175.10 174.87 3ddy s ASP 37 N -3.21 0.04 0.26 4.85 -1.08 -1.26 -4.96 116.67 111.31 3ddy s ASP 37 Ca 0.26 -1.20 -0.31 0.00 -0.52 0.00 0.00 52.55 50.78 3ddy s ASP 37 Cb 0.06 0.86 -0.13 0.00 -1.46 0.00 0.00 42.92 42.26 3ddy s ASP 37 CO 0.06 -1.72 1.46 0.52 0.52 0.00 0.00 175.17 176.00 3ddy n VAL 38 N -0.54 1.03 -0.19 1.11 0.31 -1.26 -1.37 118.33 117.42 3ddy n VAL 38 Ca -0.09 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3ddy n VAL 38 Cb 0.60 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3ddy n VAL 38 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3ddy n ASP 39 N 2.08 0.00 -4.73 4.52 8.00 0.10 -4.99 116.55 121.53 3ddy n ASP 39 Ca 0.10 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 3ddy n ASP 39 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 3ddy n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ddy s THR 40 N -2.71 3.19 -0.33 -3.53 2.01 -0.47 -4.76 115.64 109.04 3ddy s THR 40 Ca 0.00 0.94 -0.09 0.00 0.31 0.00 0.00 61.69 62.85 3ddy s THR 40 Cb 0.00 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.92 3ddy s THR 40 CO 0.00 0.12 0.14 -0.69 -0.69 0.00 0.00 174.62 173.50 3ddy s VAL 41 N 0.39 4.31 0.39 3.82 1.01 -1.26 -0.58 120.40 128.49 3ddy s VAL 41 Ca 0.59 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3ddy s VAL 41 Cb -0.37 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3ddy s VAL 41 CO 0.36 -0.04 0.15 1.15 0.00 0.00 0.00 175.10 176.72 3ddy n MET 42 N 4.93 0.57 -3.84 2.72 0.00 -0.55 -4.62 117.12 116.33 3ddy n MET 42 Ca -0.13 -3.34 -0.36 0.00 0.00 0.00 0.00 57.70 53.87 3ddy n MET 42 Cb 0.47 1.90 -0.12 0.00 0.00 0.00 0.00 33.22 35.48 3ddy n MET 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3ddy s LEU 43 N 0.00 3.60 -0.25 3.17 1.02 -0.34 -0.96 118.68 124.92 3ddy s LEU 43 Ca 0.22 -0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.28 3ddy s LEU 43 Cb 0.01 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.32 3ddy s LEU 43 CO 0.15 0.03 -0.09 -0.69 0.02 0.00 0.00 176.35 175.78 3ddy s VAL 44 N 1.22 2.45 -1.45 -1.59 1.01 -0.82 -1.12 120.40 120.10 3ddy s VAL 44 Ca 0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 3ddy s VAL 44 Cb -0.14 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3ddy s VAL 44 CO 0.04 0.08 0.31 0.59 0.00 0.00 0.00 175.10 176.11 3ddy n ASN 45 N 4.54 -5.11 0.00 3.32 5.03 -0.33 -0.61 115.26 122.10 3ddy n ASN 45 Ca -0.15 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.16 3ddy n ASN 45 Cb 0.44 -4.21 0.00 0.00 -1.02 0.00 0.00 39.78 34.99 3ddy n ASN 45 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ddy n GLY 46 N -1.18 0.80 3.59 7.41 0.00 -1.22 -3.21 105.19 111.37 3ddy n GLY 46 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3ddy n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddy n SER 48 N 4.15 3.47 -4.35 0.00 7.64 -0.30 -1.95 113.62 122.28 3ddy n SER 48 Ca -0.16 0.42 -0.22 0.00 1.01 0.00 0.00 58.87 59.92 3ddy n SER 48 Cb 0.52 -1.53 -0.11 0.00 -1.01 0.00 0.00 64.21 62.08 3ddy n SER 48 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ddy s ASN 49 N 7.14 2.78 -0.19 6.43 0.01 -0.13 -4.96 114.94 126.01 3ddy s ASN 49 Ca 0.98 -0.91 -0.03 0.00 -0.71 0.00 0.00 52.86 52.19 3ddy s ASN 49 Cb -0.39 -0.17 -0.01 0.00 0.41 0.00 0.00 41.25 41.09 3ddy s ASN 49 CO 0.38 -0.05 -0.07 -0.89 -1.51 0.00 0.00 177.10 174.96 3ddy s THR 50 N -2.26 3.30 -0.02 1.60 2.01 -1.26 -1.49 115.64 117.52 3ddy s THR 50 Ca 0.19 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 3ddy s THR 50 Cb -0.05 -2.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.91 3ddy s THR 50 CO 0.08 0.46 2.01 0.52 -0.69 0.00 0.00 174.62 176.99 3ddy n VAL 51 N 4.37 0.68 -0.02 3.82 0.31 0.26 -4.38 118.33 123.38 3ddy n VAL 51 Ca -0.18 -0.18 0.05 0.00 -0.01 0.00 0.00 64.34 64.01 3ddy n VAL 51 Cb 0.51 -2.30 -0.14 0.00 -0.91 0.00 0.00 33.84 31.00 3ddy n VAL 51 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3ddy n VAL 52 N 5.84 0.51 -3.58 2.52 3.14 0.15 -0.72 118.33 126.19 3ddy n VAL 52 Ca 0.22 -0.61 -0.15 0.00 -2.96 0.00 0.00 64.34 60.84 3ddy n VAL 52 Cb 0.40 -0.21 -0.06 0.00 -1.06 0.00 0.00 33.84 32.90 3ddy n VAL 52 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 3ddy s ARG 53 N -3.20 0.89 -0.10 1.45 3.52 -1.19 -4.89 118.95 115.42 3ddy s ARG 53 Ca -0.07 0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 55.99 3ddy s ARG 53 Cb 0.11 0.43 0.03 0.00 -1.56 0.00 0.00 34.95 33.96 3ddy s ARG 53 CO 0.87 -0.21 0.26 -1.50 -0.81 0.00 0.00 175.30 173.91 3ddy s ILE 54 N -0.49 -0.01 -0.26 4.11 2.07 -1.26 -0.19 121.20 125.15 3ddy s ILE 54 Ca -0.05 0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.21 3ddy s ILE 54 Cb -0.02 -0.39 0.11 0.00 0.13 0.00 0.00 42.46 42.29 3ddy s ILE 54 CO 0.05 0.02 0.21 -0.22 -1.91 0.00 0.00 174.94 173.09 3ddy s LEU 55 N 0.54 0.08 0.00 8.50 1.98 -0.37 -5.02 118.68 124.38 3ddy s LEU 55 Ca -0.03 -0.81 0.00 0.00 -2.89 0.00 0.00 54.13 50.40 3ddy s LEU 55 Cb -0.05 0.15 0.00 0.00 0.66 0.00 0.00 46.19 46.96 3ddy s LEU 55 CO -0.03 -0.39 0.00 0.61 -1.89 0.00 0.00 176.35 174.65 3ddy n GLY 56 N 5.29 2.90 0.99 7.98 0.00 -1.26 -2.00 105.19 119.10 3ddy n GLY 56 Ca -0.04 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3ddy n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ddy n ASP 57 N 9.18 3.38 -4.57 1.61 5.75 -1.26 -4.86 116.55 125.79 3ddy n ASP 57 Ca 0.00 -1.97 -0.40 0.00 -0.01 0.00 0.00 54.79 52.41 3ddy n ASP 57 Cb 0.00 -0.33 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 3ddy n ASP 57 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3ddy s MET 58 N -1.06 3.72 -0.12 0.11 -1.94 -0.85 0.10 119.30 119.27 3ddy s MET 58 Ca 0.35 -0.21 0.01 0.00 -1.71 0.00 0.00 55.69 54.13 3ddy s MET 58 Cb 0.19 -3.76 -0.01 0.00 2.01 0.00 0.00 34.83 33.26 3ddy s MET 58 CO 0.25 -0.47 -0.15 0.08 -0.01 0.00 0.00 175.02 174.72 3ddy s VAL 59 N 2.11 2.88 -0.08 -6.03 1.01 0.78 -1.23 120.40 119.83 3ddy s VAL 59 Ca 0.14 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3ddy s VAL 59 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3ddy s VAL 59 CO 0.11 0.53 -0.06 -0.31 0.00 0.00 0.00 175.10 175.38 3ddy s TYR 60 N 0.28 2.97 -0.04 5.22 1.51 0.73 0.69 117.35 128.71 3ddy s TYR 60 Ca -0.11 -0.02 0.03 0.00 -1.01 0.00 0.00 57.07 55.96 3ddy s TYR 60 Cb -0.16 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 3ddy s TYR 60 CO 0.06 0.28 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.58 3ddy s PHE 61 N -0.63 1.38 -0.36 2.71 0.08 -0.33 -0.68 117.98 120.16 3ddy s PHE 61 Ca 0.10 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.56 3ddy s PHE 61 Cb -0.12 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 3ddy s PHE 61 CO 0.02 -0.15 0.59 -0.51 -0.10 0.00 0.00 175.22 175.06 3ddy s ASP 62 N 0.17 6.38 -0.35 1.36 1.01 -1.26 -0.80 116.67 123.17 3ddy s ASP 62 Ca -0.05 0.06 -0.11 0.00 0.71 0.00 0.00 52.55 53.16 3ddy s ASP 62 Cb -0.11 -2.30 0.01 0.00 1.01 0.00 0.00 42.92 41.53 3ddy s ASP 62 CO 0.02 -0.55 0.20 -0.63 0.21 0.00 0.00 175.17 174.41 3ddy s ILE 63 N 2.58 4.65 0.12 0.77 1.01 0.90 -4.86 121.20 126.38 3ddy s ILE 63 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3ddy s ILE 63 Cb -0.15 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3ddy s ILE 63 CO 0.14 -0.13 0.00 -0.90 0.00 0.00 0.00 174.94 174.05 3ddy n ASP 64 N 5.01 -0.12 -0.08 3.58 5.68 -1.26 -1.18 116.55 128.17 3ddy n ASP 64 Ca -0.12 0.21 0.26 0.00 -0.50 0.00 0.00 54.79 54.63 3ddy n ASP 64 Cb 0.47 0.22 0.72 0.00 -1.14 0.00 0.00 41.12 41.39 3ddy n ASP 64 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3ddy h GLN 65 N 0.00 0.00 0.00 0.11 4.15 -1.90 -0.20 115.11 117.27 3ddy h GLN 65 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ddy h GLN 65 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3ddy h GLN 65 CO 0.00 0.00 -0.96 0.00 -1.93 0.00 0.00 178.83 175.94 3ddy n ALA 66 N -2.55 3.28 -0.32 3.38 0.00 -1.26 -4.51 120.51 118.53 3ddy n ALA 66 Ca 0.15 -0.37 0.29 0.00 0.00 0.00 0.00 53.44 53.51 3ddy n ALA 66 Cb 0.87 -1.01 0.63 0.00 0.00 0.00 0.00 19.45 19.94 3ddy n ALA 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ddy h LEU 67 N 0.00 0.22 0.00 0.00 3.38 -1.32 -2.57 115.31 115.03 3ddy h LEU 67 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ddy h LEU 67 Cb 0.74 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ddy h LEU 67 CO 0.00 0.03 -0.46 0.61 0.09 0.00 0.00 178.44 178.72 3ddy n GLY 68 N -1.62 -1.45 0.32 0.83 0.00 -1.26 -4.07 105.19 97.94 3ddy n GLY 68 Ca 0.26 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.11 3ddy n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ddy n THR 69 N -2.01 0.97 -4.48 2.61 -2.24 -1.03 -5.02 114.28 103.09 3ddy n THR 69 Ca 0.04 -1.21 -0.24 0.00 -2.27 0.00 0.00 64.05 60.37 3ddy n THR 69 Cb 0.42 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 3ddy n THR 69 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ddy s THR 70 N -1.48 0.64 -2.51 4.28 -1.32 -1.00 -3.91 115.64 110.34 3ddy s THR 70 Ca 0.17 -2.00 0.23 0.00 -1.21 0.00 0.00 61.69 58.89 3ddy s THR 70 Cb 0.15 -2.43 0.10 0.00 -1.51 0.00 0.00 72.50 68.82 3ddy s THR 70 CO 0.01 0.00 1.19 0.35 -2.21 0.00 0.00 174.62 173.96 3ddy n THR 71 N -0.84 0.00 -0.28 5.08 -2.24 -1.26 -4.66 114.28 110.08 3ddy n THR 71 Ca -0.05 -0.37 0.06 0.00 -2.27 0.00 0.00 64.05 61.42 3ddy n THR 71 Cb 0.65 1.35 0.20 0.00 -2.10 0.00 0.00 70.33 70.43 3ddy n THR 71 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ddy h PHE 72 N 3.52 0.69 0.00 4.78 -1.00 -1.90 -1.66 116.94 121.37 3ddy h PHE 72 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3ddy h PHE 72 Cb 0.87 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.24 3ddy h PHE 72 CO 0.00 0.17 0.00 -0.40 -1.61 0.00 0.00 178.31 176.47 3ddy n ASP 73 N -4.90 0.00 -0.26 2.17 3.85 -1.26 -1.89 116.55 114.26 3ddy n ASP 73 Ca 0.15 -0.39 0.04 0.00 -0.71 0.00 0.00 54.79 53.88 3ddy n ASP 73 Cb 0.40 -0.01 0.02 0.00 -1.35 0.00 0.00 41.12 40.18 3ddy n ASP 73 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ddy n GLY 74 N -0.18 -0.62 3.90 6.12 0.00 -0.63 -5.00 105.19 108.79 3ddy n GLY 74 Ca 0.10 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3ddy n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddy s LEU 75 N -0.79 3.96 0.23 0.99 1.43 -0.79 -5.10 118.68 118.61 3ddy s LEU 75 Ca 0.08 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 3ddy s LEU 75 Cb 0.06 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3ddy s LEU 75 CO 0.11 -0.28 0.04 -1.59 0.23 0.00 0.00 176.35 174.86 3ddy s LYS 76 N -3.72 1.30 0.21 1.70 0.00 -1.26 -5.05 119.74 112.93 3ddy s LYS 76 Ca 0.46 -1.67 -0.32 0.00 0.00 0.00 0.00 55.97 54.44 3ddy s LYS 76 Cb -0.10 -0.36 -0.14 0.00 0.00 0.00 0.00 37.83 37.22 3ddy s LYS 76 CO 0.31 -0.19 1.36 0.39 0.00 0.00 0.00 175.35 177.22 3ddy n GLU 77 N -0.39 1.80 0.00 1.78 1.02 -1.26 -1.57 120.64 122.02 3ddy n GLU 77 Ca -0.03 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3ddy n GLU 77 Cb 0.65 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 3ddy n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ddy n GLY 78 N 2.25 2.87 3.78 0.62 0.00 0.27 -4.99 105.19 110.00 3ddy n GLY 78 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3ddy n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddy s ASP 79 N -1.28 6.47 0.19 1.61 1.01 -0.61 -4.67 116.67 119.40 3ddy s ASP 79 Ca 0.00 2.18 -0.12 0.00 0.71 0.00 0.00 52.55 55.32 3ddy s ASP 79 Cb 0.00 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 3ddy s ASP 79 CO 0.00 -0.70 0.56 -1.10 0.21 0.00 0.00 175.17 174.14 3ddy s GLN 80 N -2.57 3.91 0.06 8.23 -0.21 -1.26 0.06 119.66 127.87 3ddy s GLN 80 Ca 0.60 0.41 0.04 0.00 0.02 0.00 0.00 55.36 56.44 3ddy s GLN 80 Cb -0.26 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 3ddy s GLN 80 CO 0.32 0.40 -0.12 0.14 -2.12 0.00 0.00 175.29 173.91 3ddy s VAL 81 N -1.62 0.94 0.23 1.09 -7.23 0.34 -4.81 120.40 109.33 3ddy s VAL 81 Ca 0.42 -1.18 -0.25 0.00 -1.81 0.00 0.00 61.98 59.16 3ddy s VAL 81 Cb -0.13 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 3ddy s VAL 81 CO 0.20 -0.23 0.83 0.20 -0.31 0.00 0.00 175.10 175.79 3ddy s ASN 82 N -1.58 7.36 -0.04 4.85 0.02 -1.26 -0.87 114.94 123.43 3ddy s ASN 82 Ca -0.04 1.70 0.02 0.00 -1.02 0.00 0.00 52.86 53.52 3ddy s ASN 82 Cb -0.10 -2.52 0.01 0.00 0.02 0.00 0.00 41.25 38.66 3ddy s ASN 82 CO 0.02 0.11 -0.08 -0.76 0.02 0.00 0.00 177.10 176.40 3ddy s LEU 83 N -1.52 1.61 -0.03 0.60 1.43 -0.42 -1.19 118.68 119.17 3ddy s LEU 83 Ca 0.41 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3ddy s LEU 83 Cb -0.21 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.46 3ddy s LEU 83 CO 0.26 0.02 -0.03 -0.70 0.23 0.00 0.00 176.35 176.12 3ddy s GLU 84 N 0.52 0.53 0.01 1.70 2.12 -0.28 -2.64 118.70 120.67 3ddy s GLU 84 Ca -0.08 -0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.18 3ddy s GLU 84 Cb -0.12 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 3ddy s GLU 84 CO 0.01 -0.04 0.10 0.42 -0.54 0.00 0.00 175.26 175.20 3ddy s ILE 85 N 0.65 4.81 1.35 -3.70 1.01 -1.26 -1.20 121.20 122.86 3ddy s ILE 85 Ca -0.07 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 3ddy s ILE 85 Cb -0.11 -3.22 0.33 0.00 0.01 0.00 0.00 42.46 39.47 3ddy s ILE 85 CO -0.00 0.32 0.81 1.57 0.00 0.00 0.00 174.94 177.63 3ddy n HIS 86 N 1.06 -2.96 0.00 3.97 -0.00 -1.26 -4.94 115.22 111.08 3ddy n HIS 86 Ca -0.12 -0.53 0.00 0.00 0.46 0.00 0.00 57.72 57.53 3ddy n HIS 86 Cb 0.52 -1.44 0.00 0.00 -0.12 0.00 0.00 29.99 28.96 3ddy n HIS 86 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3ddy n PRO 87 N -5.02 0.00 -3.66 1.57 -0.04 -1.26 -5.12 135.00 121.47 3ddy n PRO 87 Ca 0.09 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 3ddy n PRO 87 Cb 0.56 -0.18 -0.08 0.00 -0.04 0.00 0.00 33.50 33.76 3ddy n PRO 87 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ddy s GLY 97 N -0.75 -0.38 -0.03 0.55 0.00 -1.26 -5.19 107.32 100.25 3ddy s GLY 97 Ca 0.00 1.13 0.07 0.00 0.00 0.00 0.00 44.72 45.92 3ddy s GLY 97 CO 0.00 0.88 -0.24 1.08 0.00 0.00 0.00 173.10 174.82 3ddy s LEU 98 N -0.58 2.15 0.11 0.66 1.43 0.47 -4.96 118.68 117.95 3ddy s LEU 98 Ca -0.07 -0.44 0.21 0.00 -1.03 0.00 0.00 54.13 52.80 3ddy s LEU 98 Cb -0.03 -1.38 -0.11 0.00 0.03 0.00 0.00 46.19 44.70 3ddy s LEU 98 CO 0.04 0.31 0.84 0.35 0.23 0.00 0.00 176.35 178.12 3ddy n THR 99 N 2.53 0.64 -0.15 5.49 -2.24 -1.26 -1.27 114.28 118.02 3ddy n THR 99 Ca -0.16 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3ddy n THR 99 Cb 0.51 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3ddy n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddy n GLY 100 N 1.26 0.75 3.47 3.38 0.00 -1.26 -4.84 105.19 107.95 3ddy n GLY 100 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3ddy n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ddy s ASN 101 N -2.79 6.39 0.12 1.61 0.02 -1.26 -1.16 114.94 117.87 3ddy s ASN 101 Ca 0.00 -1.44 -0.31 0.00 -1.02 0.00 0.00 52.86 50.08 3ddy s ASN 101 Cb 0.00 -2.43 -0.10 0.00 0.02 0.00 0.00 41.25 38.74 3ddy s ASN 101 CO 0.00 -1.31 1.67 -0.63 0.02 0.00 0.00 177.10 176.85 3ddy s ILE 102 N 3.68 2.72 0.10 0.60 -1.09 -1.26 -4.81 121.20 121.14 3ddy s ILE 102 Ca 0.30 0.34 -0.14 0.00 -2.23 0.00 0.00 60.65 58.91 3ddy s ILE 102 Cb -0.10 -3.22 -0.11 0.00 -1.58 0.00 0.00 42.46 37.46 3ddy s ILE 102 CO 0.00 0.01 1.38 0.50 -1.23 0.00 0.00 174.94 175.60 3ddy h LYS 103 N 7.82 0.73 0.00 2.79 1.63 -1.40 -3.49 116.57 124.64 3ddy h LYS 103 Ca -0.43 -0.45 0.00 0.00 -0.85 0.00 0.00 60.65 58.92 3ddy h LYS 103 Cb 1.21 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3ddy h LYS 103 CO 0.93 1.07 0.00 0.41 -3.45 0.00 0.00 179.45 178.42 3ddy n GLY 104 N 0.35 -1.00 3.71 5.01 0.00 -1.13 -4.99 105.19 107.14 3ddy n GLY 104 Ca -0.05 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 3ddy n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ddy s THR 105 N -3.00 4.23 0.05 2.61 -1.32 -1.25 -1.03 115.64 115.93 3ddy s THR 105 Ca 0.00 -0.72 -0.06 0.00 -1.21 0.00 0.00 61.69 59.70 3ddy s THR 105 Cb 0.00 -2.95 -0.01 0.00 -1.51 0.00 0.00 72.50 68.03 3ddy s THR 105 CO 0.00 0.26 0.12 0.00 -2.21 0.00 0.00 174.62 172.79 3ddy s ALA 106 N -1.21 -0.08 0.07 11.08 0.00 -0.95 -4.87 121.76 125.80 3ddy s ALA 106 Ca 0.23 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.64 3ddy s ALA 106 Cb -0.12 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3ddy s ALA 106 CO 0.15 -0.37 0.00 -0.51 0.00 0.00 0.00 175.76 175.03 3ddy s LEU 107 N -2.37 3.49 -0.20 0.00 1.43 -1.26 -0.69 118.68 119.08 3ddy s LEU 107 Ca -0.01 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 3ddy s LEU 107 Cb 0.01 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3ddy s LEU 107 CO -0.06 0.19 1.38 -0.69 0.23 0.00 0.00 176.35 177.40 3ddy s VAL 108 N -1.28 4.05 0.14 -1.59 1.01 -0.55 -1.94 120.40 120.25 3ddy s VAL 108 Ca 0.25 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 3ddy s VAL 108 Cb -0.12 -3.93 -0.17 0.00 0.00 0.00 0.00 36.38 32.16 3ddy s VAL 108 CO 0.17 -0.25 1.33 0.00 0.00 0.00 0.00 175.10 176.34 3ddy h ALA 109 N 9.14 0.42 -2.25 5.51 0.00 -0.23 0.24 119.26 132.09 3ddy h ALA 109 Ca -0.29 -0.73 0.20 0.00 0.00 0.00 0.00 54.91 54.09 3ddy h ALA 109 Cb 1.12 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3ddy h ALA 109 CO 0.99 0.88 0.54 0.00 0.00 0.00 0.00 179.25 181.65 3ddy s ALA 110 N -3.20 -1.72 -0.26 0.00 0.00 -0.97 -4.74 121.76 110.88 3ddy s ALA 110 Ca -0.04 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 3ddy s ALA 110 Cb 0.09 0.62 0.10 0.00 0.00 0.00 0.00 23.12 23.93 3ddy s ALA 110 CO 0.85 -1.05 0.58 -1.50 0.00 0.00 0.00 175.76 174.64 3ddy s ILE 111 N -3.06 -0.54 -0.32 0.00 2.07 -1.26 -0.70 121.20 117.37 3ddy s ILE 111 Ca 0.14 0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.41 3ddy s ILE 111 Cb -0.01 -0.88 0.07 0.00 0.13 0.00 0.00 42.46 41.76 3ddy s ILE 111 CO 0.02 0.02 0.04 -1.61 -1.91 0.00 0.00 174.94 171.50 3ddy s GLU 112 N 2.32 2.28 0.78 3.50 2.02 0.79 -4.99 118.70 125.42 3ddy s GLU 112 Ca -0.07 -1.42 -0.12 0.00 0.02 0.00 0.00 54.97 53.39 3ddy s GLU 112 Cb -0.10 -3.26 0.06 0.00 0.10 0.00 0.00 34.13 30.94 3ddy s GLU 112 CO -0.17 -0.73 1.11 -1.21 0.02 0.00 0.00 175.26 174.28 3ddy s GLU 113 N 1.20 2.20 -0.07 1.61 2.02 -1.26 -0.99 118.70 123.41 3ddy s GLU 113 Ca -0.02 0.48 -0.32 0.00 0.02 0.00 0.00 54.97 55.14 3ddy s GLU 113 Cb -0.20 -1.95 0.13 0.00 0.10 0.00 0.00 34.13 32.21 3ddy s GLU 113 CO -0.02 -1.50 1.39 0.54 0.02 0.00 0.00 175.26 175.68 3ddy s ASN 114 N -4.14 -0.01 0.01 -0.19 2.20 -0.94 -4.90 114.94 106.96 3ddy s ASN 114 Ca 0.60 -0.05 -0.04 0.00 -0.94 0.00 0.00 52.86 52.44 3ddy s ASN 114 Cb -0.13 0.05 -0.01 0.00 -2.00 0.00 0.00 41.25 39.16 3ddy s ASN 114 CO 0.53 -0.10 1.06 0.44 -2.94 0.00 0.00 177.10 176.09 3ddy h ASP 115 N 2.00 -0.19 -0.52 3.54 3.32 -2.03 -3.06 116.42 119.48 3ddy h ASP 115 Ca -0.30 0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.85 3ddy h ASP 115 Cb 1.19 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.72 3ddy h ASP 115 CO 0.30 -0.05 -0.49 0.00 -1.72 0.00 0.00 179.24 177.28 3ddy h ALA 116 N -1.27 -0.51 -3.00 3.45 0.00 -1.97 -3.45 119.26 112.50 3ddy h ALA 116 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ddy h ALA 116 Cb 0.07 1.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ddy h ALA 116 CO -0.05 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 178.69 3ddy n GLY 117 N -1.39 0.94 3.49 0.00 0.00 -1.16 -2.55 105.19 104.53 3ddy n GLY 117 Ca -0.00 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 3ddy n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ddy s PHE 118 N -2.06 3.08 -0.63 1.61 0.40 -0.44 -2.22 117.98 117.73 3ddy s PHE 118 Ca 0.00 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.77 3ddy s PHE 118 Cb 0.00 -2.09 0.06 0.00 0.51 0.00 0.00 43.02 41.50 3ddy s PHE 118 CO 0.00 -0.16 0.96 -1.54 0.70 0.00 0.00 175.22 175.18 3ddy s SER 119 N 0.91 6.22 -0.18 1.36 1.04 -0.16 -0.40 113.70 122.48 3ddy s SER 119 Ca 0.02 -0.79 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 3ddy s SER 119 Cb -0.14 -2.43 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 3ddy s SER 119 CO 0.02 -1.39 0.14 -0.69 0.98 0.00 0.00 173.24 172.30 3ddy s VAL 120 N 4.08 5.42 -0.14 5.02 1.01 -0.36 -0.14 120.40 135.28 3ddy s VAL 120 Ca 0.25 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 3ddy s VAL 120 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3ddy s VAL 120 CO 0.13 0.47 0.00 -0.76 0.00 0.00 0.00 175.10 174.94 3ddy s LEU 121 N 0.13 3.51 -0.06 3.92 1.43 0.12 -1.73 118.68 126.00 3ddy s LEU 121 Ca 0.10 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3ddy s LEU 121 Cb -0.11 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3ddy s LEU 121 CO -0.01 0.23 -0.15 -0.63 0.23 0.00 0.00 176.35 176.03 3ddy s ILE 122 N 0.00 1.30 -0.63 -0.59 1.01 -0.62 0.53 121.20 122.20 3ddy s ILE 122 Ca 0.03 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 3ddy s ILE 122 Cb -0.13 -1.15 0.08 0.00 0.01 0.00 0.00 42.46 41.28 3ddy s ILE 122 CO 0.02 0.39 0.86 -0.62 0.00 0.00 0.00 174.94 175.59 3ddy s ASP 123 N 0.39 6.18 -0.36 3.58 2.15 -0.82 -1.05 116.67 126.74 3ddy s ASP 123 Ca -0.11 -1.17 -0.26 0.00 0.43 0.00 0.00 52.55 51.44 3ddy s ASP 123 Cb -0.14 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 3ddy s ASP 123 CO 0.04 -1.31 0.95 -0.63 -0.17 0.00 0.00 175.17 174.04 3ddy s ILE 124 N 3.52 4.57 0.44 4.11 -1.09 0.35 -4.15 121.20 128.95 3ddy s ILE 124 Ca 0.18 1.27 -0.23 0.00 -2.23 0.00 0.00 60.65 59.64 3ddy s ILE 124 Cb -0.20 -4.35 -0.08 0.00 -1.58 0.00 0.00 42.46 36.25 3ddy s ILE 124 CO 0.09 -0.54 1.10 -2.16 -1.23 0.00 0.00 174.94 172.20 3ddy s PRO 125 N 3.52 3.92 0.54 2.79 0.04 -1.26 -4.72 135.00 139.82 3ddy s PRO 125 Ca 0.39 1.59 0.31 0.00 0.04 0.00 0.00 61.00 63.34 3ddy s PRO 125 Cb -0.12 -2.40 1.69 0.00 0.04 0.00 0.00 34.50 33.70 3ddy s PRO 125 CO 0.18 -0.37 1.94 0.87 0.04 0.00 0.00 177.00 179.66 3ddy h LYS 126 N 2.14 0.00 0.00 4.56 1.57 -1.97 0.93 116.57 123.80 3ddy h LYS 126 Ca -0.49 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 3ddy h LYS 126 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 3ddy h LYS 126 CO 0.61 0.00 -0.12 0.78 -0.57 0.00 0.00 179.45 180.15 3ddy h GLY 127 N 0.00 0.00 0.22 3.86 0.00 -2.00 -3.15 103.07 102.00 3ddy h GLY 127 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 3ddy h GLY 127 CO 0.00 0.00 -1.84 1.04 0.00 0.00 0.00 176.54 175.74 3ddy n LEU 128 N -3.80 2.28 -3.65 3.11 4.77 0.31 -5.03 117.00 115.00 3ddy n LEU 128 Ca -0.02 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3ddy n LEU 128 Cb 0.22 -1.00 -0.07 0.00 -2.33 0.00 0.00 43.42 40.25 3ddy n LEU 128 CO 0.31 0.60 0.97 0.00 -1.33 0.00 0.00 177.39 177.94 3ddy s ALA 129 N -2.47 -2.36 -0.27 -1.18 0.00 -1.15 -4.96 121.76 109.37 3ddy s ALA 129 Ca -0.29 1.90 0.12 0.00 0.00 0.00 0.00 51.96 53.69 3ddy s ALA 129 Cb 0.08 -1.80 -0.17 0.00 0.00 0.00 0.00 23.12 21.23 3ddy s ALA 129 CO 0.64 -0.23 0.38 -1.91 0.00 0.00 0.00 175.76 174.64 3ddy n GLU 130 N 2.55 1.57 -2.31 0.00 2.13 -1.26 -4.38 120.64 118.93 3ddy n GLU 130 Ca -0.14 -0.06 -0.41 0.00 0.66 0.00 0.00 57.16 57.21 3ddy n GLU 130 Cb 0.57 -1.20 0.03 0.00 0.27 0.00 0.00 31.44 31.11 3ddy n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3ddy n ASN 131 N -1.64 7.45 -4.81 4.31 3.02 -1.26 -4.99 115.26 117.34 3ddy n ASN 131 Ca -0.00 -3.76 -0.37 0.00 -0.03 0.00 0.00 54.58 50.42 3ddy n ASN 131 Cb 0.26 -1.12 -0.06 0.00 -0.61 0.00 0.00 39.78 38.25 3ddy n ASN 131 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ddy s LEU 132 N -4.22 4.36 0.04 3.41 1.43 -1.26 -5.09 118.68 117.35 3ddy s LEU 132 Ca 0.45 0.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 3ddy s LEU 132 Cb 0.30 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3ddy s LEU 132 CO -0.26 0.26 -0.19 0.28 0.23 0.00 0.00 176.35 176.67 3ddy s THR 133 N -0.47 1.54 0.75 5.49 -1.32 -1.26 -5.10 115.64 115.28 3ddy s THR 133 Ca 0.18 -1.11 -0.15 0.00 -1.21 0.00 0.00 61.69 59.40 3ddy s THR 133 Cb -0.14 -1.34 0.01 0.00 -1.51 0.00 0.00 72.50 69.52 3ddy s THR 133 CO 0.07 0.20 0.87 0.52 -2.21 0.00 0.00 174.62 174.06 3ddy n VAL 134 N 1.96 2.24 -0.66 5.08 0.31 -1.26 -2.34 118.33 123.66 3ddy n VAL 134 Ca -0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3ddy n VAL 134 Cb 0.54 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3ddy n VAL 134 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3ddy n LYS 135 N -1.83 0.00 -2.71 5.55 5.02 -0.07 -4.96 118.16 119.16 3ddy n LYS 135 Ca 0.12 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 3ddy n LYS 135 Cb 0.50 -2.10 -0.03 0.00 -0.02 0.00 0.00 35.03 33.38 3ddy n LYS 135 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ddy s ASP 136 N -3.29 6.49 0.15 4.39 -0.00 -0.99 -4.70 116.67 118.73 3ddy s ASP 136 Ca 0.00 1.19 -0.03 0.00 -0.00 0.00 0.00 52.55 53.71 3ddy s ASP 136 Cb 0.00 -2.35 -0.05 0.00 -0.00 0.00 0.00 42.92 40.52 3ddy s ASP 136 CO 0.00 -0.47 0.37 -1.81 -0.00 0.00 0.00 175.17 173.26 3ddy s ASP 137 N -3.30 6.45 -0.11 0.27 1.01 -1.26 0.43 116.67 120.16 3ddy s ASP 137 Ca 0.52 0.52 -0.20 0.00 0.71 0.00 0.00 52.55 54.11 3ddy s ASP 137 Cb -0.10 -2.06 0.05 0.00 1.01 0.00 0.00 42.92 41.81 3ddy s ASP 137 CO 0.34 0.03 0.48 -0.51 0.21 0.00 0.00 175.17 175.72 3ddy s ILE 138 N -1.71 0.02 -0.22 0.77 2.07 0.16 -4.13 121.20 118.15 3ddy s ILE 138 Ca 0.40 -0.14 -0.12 0.00 -1.41 0.00 0.00 60.65 59.39 3ddy s ILE 138 Cb -0.12 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 3ddy s ILE 138 CO 0.26 -0.08 0.21 -0.83 -1.91 0.00 0.00 174.94 172.59 3ddy s GLY 139 N -0.51 2.03 -0.26 1.50 0.00 -0.73 -0.98 107.32 108.37 3ddy s GLY 139 Ca -0.06 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3ddy s GLY 139 CO 0.04 0.42 -0.02 -0.42 0.00 0.00 0.00 173.10 173.12 3ddy s ILE 140 N 0.93 1.57 -1.88 0.90 1.09 -0.68 -1.12 121.20 122.00 3ddy s ILE 140 Ca 0.10 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.23 3ddy s ILE 140 Cb -0.13 -1.92 0.00 0.00 -1.06 0.00 0.00 42.46 39.35 3ddy s ILE 140 CO 0.04 -0.25 0.00 0.47 -0.10 0.00 0.00 174.94 175.10 3ddy n ASP 141 N 4.63 -5.82 0.00 3.58 8.00 -0.17 -1.89 116.55 124.88 3ddy n ASP 141 Ca -0.08 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.52 3ddy n ASP 141 Cb 0.43 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 3ddy n ASP 141 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddy n GLY 142 N -0.88 0.20 3.54 0.44 0.00 -1.20 -3.44 105.19 103.86 3ddy n GLY 142 Ca -0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3ddy n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddy s ILE 143 N -2.06 5.22 -0.22 -0.61 1.01 -0.79 -3.89 121.20 119.86 3ddy s ILE 143 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 3ddy s ILE 143 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3ddy s ILE 143 CO 0.00 0.08 0.95 -0.55 0.00 0.00 0.00 174.94 175.43 3ddy s SER 144 N 1.72 7.02 0.06 3.58 0.15 -0.06 -1.69 113.70 124.48 3ddy s SER 144 Ca 0.06 1.27 0.02 0.00 0.70 0.00 0.00 55.95 58.00 3ddy s SER 144 Cb -0.17 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3ddy s SER 144 CO 0.10 -0.58 -0.08 -0.76 1.20 0.00 0.00 173.24 173.12 3ddy s LEU 145 N 2.91 2.32 0.19 3.45 1.43 -0.15 -4.93 118.68 123.89 3ddy s LEU 145 Ca 0.41 -0.67 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 3ddy s LEU 145 Cb -0.15 -0.18 -0.08 0.00 0.03 0.00 0.00 46.19 45.80 3ddy s LEU 145 CO 0.08 -0.25 0.75 -2.84 0.23 0.00 0.00 176.35 174.32 3ddy s PRO 146 N -2.14 4.44 -0.62 1.29 0.02 -1.26 -0.67 135.00 136.06 3ddy s PRO 146 Ca -0.04 1.04 -0.28 0.00 0.02 0.00 0.00 61.00 61.75 3ddy s PRO 146 Cb -0.06 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.36 3ddy s PRO 146 CO -0.01 0.51 1.37 0.42 -0.33 0.00 0.00 177.00 178.96 3ddy s ILE 147 N -1.29 3.78 0.40 2.83 1.01 0.17 -4.59 121.20 123.50 3ddy s ILE 147 Ca 0.38 0.60 0.13 0.00 0.00 0.00 0.00 60.65 61.76 3ddy s ILE 147 Cb -0.21 -4.60 0.12 0.00 0.01 0.00 0.00 42.46 37.79 3ddy s ILE 147 CO 0.24 -1.39 1.88 0.74 0.00 0.00 0.00 174.94 176.41 3ddy h THR 148 N 6.27 1.22 -2.73 2.92 2.02 -0.66 -0.16 112.91 121.78 3ddy h THR 148 Ca -0.27 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 3ddy h THR 148 Cb 1.08 1.55 -0.14 0.00 -1.74 0.00 0.00 68.15 68.90 3ddy h THR 148 CO 1.21 0.30 0.24 -0.62 0.37 0.00 0.00 175.52 177.02 3ddy s ASP 149 N -6.95 -0.56 -0.19 4.18 2.15 -1.15 -4.82 116.67 109.32 3ddy s ASP 149 Ca -0.03 0.13 -0.19 0.00 0.43 0.00 0.00 52.55 52.89 3ddy s ASP 149 Cb 0.15 0.56 0.05 0.00 -0.30 0.00 0.00 42.92 43.38 3ddy s ASP 149 CO 0.72 -0.86 0.53 -0.32 -0.17 0.00 0.00 175.17 175.06 3ddy s MET 150 N -3.21 0.63 -0.19 4.34 -2.45 -1.26 0.26 119.30 117.42 3ddy s MET 150 Ca -0.01 0.68 -0.04 0.00 -1.25 0.00 0.00 55.69 55.07 3ddy s MET 150 Cb -0.01 0.31 0.08 0.00 1.25 0.00 0.00 34.83 36.46 3ddy s MET 150 CO -0.08 -0.09 0.16 -1.12 1.05 0.00 0.00 175.02 174.94 3ddy s SER 151 N 0.17 1.87 1.19 1.11 0.01 -0.64 -5.03 113.70 112.39 3ddy s SER 151 Ca -0.01 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.82 3ddy s SER 151 Cb -0.04 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.28 3ddy s SER 151 CO 0.01 -0.34 0.00 0.47 0.41 0.00 0.00 173.24 173.79 3ddy n ASP 152 N 5.30 0.00 -0.78 2.44 8.00 -1.26 -2.67 116.55 127.58 3ddy n ASP 152 Ca -0.06 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.53 3ddy n ASP 152 Cb 0.49 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.85 3ddy n ASP 152 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ddy n SER 153 N 2.90 2.29 -4.57 -2.24 3.41 -1.26 -4.77 113.62 109.38 3ddy n SER 153 Ca 0.00 -1.90 -0.37 0.00 -0.26 0.00 0.00 58.87 56.33 3ddy n SER 153 Cb 0.00 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 63.61 3ddy n SER 153 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3ddy s ILE 154 N -1.54 5.09 0.16 -1.33 -4.36 -1.09 0.13 121.20 118.26 3ddy s ILE 154 Ca 0.32 0.09 0.07 0.00 -0.26 0.00 0.00 60.65 60.87 3ddy s ILE 154 Cb 0.17 -3.41 -0.04 0.00 1.25 0.00 0.00 42.46 40.43 3ddy s ILE 154 CO 0.24 0.28 0.00 0.27 0.24 0.00 0.00 174.94 175.97 3ddy s ILE 155 N 1.64 3.81 -0.15 8.37 -4.36 -0.21 -1.62 121.20 128.67 3ddy s ILE 155 Ca 0.07 -1.31 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 3ddy s ILE 155 Cb -0.16 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.66 3ddy s ILE 155 CO 0.09 -0.06 -0.18 -0.89 0.24 0.00 0.00 174.94 174.14 3ddy s THR 156 N -1.63 2.39 0.01 8.37 2.01 0.14 -1.58 115.64 125.35 3ddy s THR 156 Ca 0.27 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.47 3ddy s THR 156 Cb -0.10 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 3ddy s THR 156 CO 0.19 0.53 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.71 3ddy s LEU 157 N 0.88 2.09 -0.19 4.42 1.43 -0.71 0.11 118.68 126.72 3ddy s LEU 157 Ca -0.05 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 3ddy s LEU 157 Cb -0.15 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3ddy s LEU 157 CO -0.02 0.18 0.04 0.20 0.23 0.00 0.00 176.35 176.97 3ddy s ASN 158 N -0.71 5.35 -0.26 2.29 0.01 -1.26 -1.22 114.94 119.14 3ddy s ASN 158 Ca 0.06 -0.02 -0.07 0.00 -0.71 0.00 0.00 52.86 52.13 3ddy s ASN 158 Cb -0.07 -1.91 -0.02 0.00 0.41 0.00 0.00 41.25 39.65 3ddy s ASN 158 CO 0.00 0.14 0.07 -0.31 -1.51 0.00 0.00 177.10 175.49 3ddy s TYR 159 N 0.57 3.09 0.17 2.20 1.51 0.46 -4.97 117.35 120.37 3ddy s TYR 159 Ca 0.02 -0.60 -0.32 0.00 -1.01 0.00 0.00 57.07 55.16 3ddy s TYR 159 Cb -0.13 -2.24 -0.10 0.00 -0.11 0.00 0.00 41.96 39.38 3ddy s TYR 159 CO 0.02 -0.43 1.57 -1.54 -1.11 0.00 0.00 175.55 174.06 3ddy s SER 160 N 1.58 6.58 0.48 2.29 1.04 -1.26 -1.33 113.70 123.08 3ddy s SER 160 Ca 0.05 2.62 0.28 0.00 0.48 0.00 0.00 55.95 59.39 3ddy s SER 160 Cb -0.16 -2.59 1.35 0.00 0.10 0.00 0.00 66.02 64.72 3ddy s SER 160 CO 0.03 -0.83 1.79 -0.09 0.98 0.00 0.00 173.24 175.12 3ddy h ARG 161 N 6.80 0.17 0.00 4.02 9.65 -1.81 -0.13 114.38 133.08 3ddy h ARG 161 Ca -0.43 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3ddy h ARG 161 Cb 1.20 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3ddy h ARG 161 CO 0.92 0.11 0.00 0.38 2.80 0.00 0.00 179.97 184.18 3ddy h ASP 162 N 0.17 0.00 0.16 -3.80 2.03 -1.90 -2.04 116.42 111.04 3ddy h ASP 162 Ca 0.57 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.86 3ddy h ASP 162 Cb 1.90 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.40 3ddy h ASP 162 CO -0.14 0.00 -0.06 -0.07 -1.03 0.00 0.00 179.24 177.94 3ddy h LEU 163 N 0.00 0.00 -1.87 0.15 3.38 -1.38 -2.10 115.31 113.49 3ddy h LEU 163 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddy h LEU 163 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ddy h LEU 163 CO 0.00 0.06 0.04 -0.07 0.09 0.00 0.00 178.44 178.56 3ddy h LEU 164 N 0.00 0.00 0.00 1.67 3.38 -1.57 0.43 115.31 119.22 3ddy h LEU 164 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ddy h LEU 164 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ddy h LEU 164 CO 0.01 0.00 -0.89 0.00 0.09 0.00 0.00 178.44 177.65 3ddy h ALA 165 N 1.91 0.59 0.00 1.53 0.00 -1.61 -3.40 119.26 118.28 3ddy h ALA 165 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ddy h ALA 165 Cb 0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ddy h ALA 165 CO 0.00 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 3ddy n SER 166 N -2.77 0.42 -4.38 0.00 3.41 -0.64 -4.88 113.62 104.78 3ddy n SER 166 Ca -0.00 -0.90 -0.27 0.00 -0.26 0.00 0.00 58.87 57.44 3ddy n SER 166 Cb 0.58 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.52 3ddy n SER 166 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3ddy s THR 167 N -0.07 0.92 -1.66 6.66 -4.23 0.05 -2.27 115.64 115.05 3ddy s THR 167 Ca 0.00 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.79 3ddy s THR 167 Cb 0.00 -2.38 0.38 0.00 1.34 0.00 0.00 72.50 71.83 3ddy s THR 167 CO 0.00 0.00 1.75 -0.46 -0.54 0.00 0.00 174.62 175.37 3ddy n ASN 168 N -1.20 0.65 0.11 3.99 6.94 -1.26 -4.48 115.26 120.01 3ddy n ASN 168 Ca -0.09 -0.65 0.18 0.00 -0.02 0.00 0.00 54.58 53.99 3ddy n ASN 168 Cb 0.66 -0.00 0.55 0.00 -2.36 0.00 0.00 39.78 38.62 3ddy n ASN 168 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 3ddy h ILE 169 N 0.76 0.12 0.00 1.53 3.07 -1.95 -0.27 117.51 120.77 3ddy h ILE 169 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3ddy h ILE 169 Cb 0.41 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.33 3ddy h ILE 169 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 3ddy n ALA 170 N -2.06 1.13 1.14 0.16 0.00 -1.26 -1.14 120.51 118.48 3ddy n ALA 170 Ca 0.08 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3ddy n ALA 170 Cb 0.88 -1.17 0.22 0.00 0.00 0.00 0.00 19.45 19.37 3ddy n ALA 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ddy n SER 171 N -1.85 1.39 -4.71 0.00 3.41 -0.11 -4.91 113.62 106.83 3ddy n SER 171 Ca -0.00 -1.11 -0.42 0.00 -0.26 0.00 0.00 58.87 57.08 3ddy n SER 171 Cb 0.05 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3ddy n SER 171 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ddy s LEU 172 N -2.52 4.36 0.35 1.04 1.43 -0.30 -4.94 118.68 118.10 3ddy s LEU 172 Ca 0.21 2.25 -0.08 0.00 -1.03 0.00 0.00 54.13 55.48 3ddy s LEU 172 Cb 0.19 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.85 3ddy s LEU 172 CO 0.56 -0.64 0.60 0.00 0.23 0.00 0.00 176.35 177.09 3ddy s ALA 173 N 1.37 0.13 0.24 4.21 0.00 -1.26 -5.05 121.76 121.40 3ddy s ALA 173 Ca 0.64 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 3ddy s ALA 173 Cb -0.35 0.97 -0.11 0.00 0.00 0.00 0.00 23.12 23.63 3ddy s ALA 173 CO 0.29 -0.87 1.65 0.21 0.00 0.00 0.00 175.76 177.04 3ddy s LYS 174 N -2.84 4.13 0.00 0.00 2.20 -1.26 -2.29 119.74 119.68 3ddy s LYS 174 Ca 0.24 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 3ddy s LYS 174 Cb -0.02 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 3ddy s LYS 174 CO 0.16 -0.68 0.00 -0.25 -0.36 0.00 0.00 175.35 174.22 3ddy n ASP 175 N 3.15 -1.27 -4.73 1.43 8.00 0.85 -4.95 116.55 119.03 3ddy n ASP 175 Ca 0.12 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.21 3ddy n ASP 175 Cb 0.37 -0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 3ddy n ASP 175 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ddy s VAL 176 N -2.75 3.39 0.27 2.53 1.01 -0.97 -4.61 120.40 119.27 3ddy s VAL 176 Ca 0.00 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 3ddy s VAL 176 Cb 0.00 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3ddy s VAL 176 CO 0.00 0.15 0.81 -0.75 0.00 0.00 0.00 175.10 175.31 3ddy s LYS 177 N 0.17 4.37 0.08 2.72 2.20 -1.26 -1.48 119.74 126.53 3ddy s LYS 177 Ca 0.57 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 57.24 3ddy s LYS 177 Cb -0.35 -2.81 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3ddy s LYS 177 CO 0.36 0.33 -0.07 0.14 -0.36 0.00 0.00 175.35 175.75 3ddy s VAL 178 N -1.59 0.62 -0.12 4.02 -7.23 0.13 -4.98 120.40 111.26 3ddy s VAL 178 Ca 0.47 -1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 58.72 3ddy s VAL 178 Cb -0.17 -1.32 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 3ddy s VAL 178 CO 0.22 -0.72 0.87 0.20 -0.31 0.00 0.00 175.10 175.36 3ddy s ASN 179 N -2.55 7.07 -0.14 4.85 0.02 -1.26 -2.23 114.94 120.69 3ddy s ASN 179 Ca 0.04 1.31 -0.01 0.00 -1.02 0.00 0.00 52.86 53.19 3ddy s ASN 179 Cb 0.00 -2.48 -0.02 0.00 0.02 0.00 0.00 41.25 38.77 3ddy s ASN 179 CO -0.03 -0.35 -0.11 -0.69 0.02 0.00 0.00 177.10 175.94 3ddy s VAL 180 N 1.76 3.22 -0.17 1.60 1.01 -0.20 -1.00 120.40 126.64 3ddy s VAL 180 Ca 0.42 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3ddy s VAL 180 Cb -0.18 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3ddy s VAL 180 CO 0.16 0.51 -0.20 -0.70 0.00 0.00 0.00 175.10 174.87 3ddy s GLU 181 N 0.44 2.98 -0.04 2.72 2.12 -0.27 -1.04 118.70 125.61 3ddy s GLU 181 Ca -0.08 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.18 3ddy s GLU 181 Cb -0.15 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 3ddy s GLU 181 CO 0.04 -0.15 0.72 0.42 -0.54 0.00 0.00 175.26 175.75 3ddy s ILE 182 N 1.15 4.97 0.12 -3.70 1.09 -1.26 -1.77 121.20 121.80 3ddy s ILE 182 Ca 0.01 1.50 0.05 0.00 -1.10 0.00 0.00 60.65 61.11 3ddy s ILE 182 Cb -0.14 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.16 3ddy s ILE 182 CO -0.10 0.28 0.05 -0.76 -0.10 0.00 0.00 174.94 174.31 3ddy s LEU 183 N 0.57 3.58 0.00 2.97 1.43 -1.26 -4.99 118.68 120.98 3ddy s LEU 183 Ca 0.38 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3ddy s LEU 183 Cb -0.18 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3ddy s LEU 183 CO 0.20 0.14 0.00 0.59 0.23 0.00 0.00 176.35 177.50