#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drn s LYS 3 N 0.00 0.76 0.08 5.55 -2.85 -1.26 -5.05 119.74 116.96 3drn s LYS 3 Ca 0.00 -1.31 -0.35 0.00 -1.00 0.00 0.00 55.97 53.31 3drn s LYS 3 Cb 0.00 0.13 -0.14 0.00 -2.06 0.00 0.00 37.83 35.76 3drn s LYS 3 CO 0.00 -0.14 1.60 0.28 0.10 0.00 0.00 175.35 177.20 3drn n VAL 4 N 0.01 0.13 0.00 1.79 0.31 -1.26 -1.32 118.33 117.99 3drn n VAL 4 Ca -0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3drn n VAL 4 Cb 0.62 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 3drn n VAL 4 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3drn n GLY 5 N 3.49 2.56 3.84 2.92 0.00 0.05 -5.02 105.19 113.04 3drn n GLY 5 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3drn n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3drn s ASP 6 N -0.78 5.82 0.36 1.61 1.01 -0.44 -4.72 116.67 119.52 3drn s ASP 6 Ca 0.00 1.53 -0.26 0.00 0.71 0.00 0.00 52.55 54.53 3drn s ASP 6 Cb 0.00 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.35 3drn s ASP 6 CO 0.00 -1.15 1.08 -0.54 0.21 0.00 0.00 175.17 174.77 3drn s LYS 7 N -5.05 4.32 0.08 8.23 -0.14 -1.26 -1.00 119.74 124.91 3drn s LYS 7 Ca 0.57 1.64 -0.31 0.00 -1.36 0.00 0.00 55.97 56.51 3drn s LYS 7 Cb -0.13 -2.78 -0.07 0.00 -1.68 0.00 0.00 37.83 33.17 3drn s LYS 7 CO 0.53 -0.03 1.33 0.00 -0.76 0.00 0.00 175.35 176.42 3drn s ALA 8 N -1.46 3.52 0.27 5.17 0.00 0.50 -4.80 121.76 124.96 3drn s ALA 8 Ca 0.53 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 3drn s ALA 8 Cb -0.26 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.23 3drn s ALA 8 CO 0.33 -0.59 1.64 -2.14 0.00 0.00 0.00 175.76 175.00 3drn s PRO 9 N 1.26 4.12 0.35 0.00 0.02 -1.26 -4.97 135.00 134.51 3drn s PRO 9 Ca 0.62 2.60 -0.20 0.00 0.02 0.00 0.00 61.00 64.04 3drn s PRO 9 Cb -0.34 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.05 3drn s PRO 9 CO 0.29 -0.68 0.85 -0.51 -0.33 0.00 0.00 177.00 176.63 3drn s LEU 10 N -0.05 4.11 0.23 -5.54 1.43 -1.26 -5.02 118.68 112.57 3drn s LEU 10 Ca 0.67 1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 55.12 3drn s LEU 10 Cb -0.49 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 41.60 3drn s LEU 10 CO 0.44 -0.20 0.62 0.72 0.23 0.00 0.00 176.35 178.15 3drn s PHE 11 N -1.92 -0.19 -0.02 0.29 -0.12 -1.26 -5.04 117.98 109.73 3drn s PHE 11 Ca 0.55 -0.18 0.03 0.00 -0.05 0.00 0.00 56.93 57.27 3drn s PHE 11 Cb -0.12 0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 42.80 3drn s PHE 11 CO 0.17 -1.05 -0.10 -1.21 -0.05 0.00 0.00 175.22 172.99 3drn s GLU 12 N -3.88 0.91 0.34 1.99 2.02 -1.26 -1.90 118.70 116.92 3drn s GLU 12 Ca 0.09 -0.34 -0.05 0.00 0.02 0.00 0.00 54.97 54.70 3drn s GLU 12 Cb -0.03 -0.86 0.02 0.00 0.10 0.00 0.00 34.13 33.36 3drn s GLU 12 CO 0.00 0.17 0.54 0.41 0.02 0.00 0.00 175.26 176.40 3drn n GLY 13 N 3.06 1.85 3.57 -1.39 0.00 -0.03 -4.96 105.19 107.30 3drn n GLY 13 Ca -0.16 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 3drn n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3drn s ILE 14 N -2.62 4.81 0.67 -0.61 -1.09 -1.26 0.69 121.20 121.79 3drn s ILE 14 Ca 0.24 -0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.56 3drn s ILE 14 Cb -0.02 -3.23 0.02 0.00 -1.58 0.00 0.00 42.46 37.65 3drn s ILE 14 CO 0.17 0.37 1.02 0.00 -1.23 0.00 0.00 174.94 175.27 3drn s ALA 15 N 1.13 3.06 0.52 9.38 0.00 0.97 -1.62 121.76 135.20 3drn s ALA 15 Ca 0.05 -0.57 0.35 0.00 0.00 0.00 0.00 51.96 51.80 3drn s ALA 15 Cb -0.14 -2.81 1.93 0.00 0.00 0.00 0.00 23.12 22.10 3drn s ALA 15 CO 0.04 -1.06 2.08 0.38 0.00 0.00 0.00 175.76 177.20 3drn h ASP 16 N -0.49 0.00 -0.40 0.00 2.03 -1.21 0.85 116.42 117.20 3drn h ASP 16 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3drn h ASP 16 Cb 1.27 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 3drn h ASP 16 CO 0.62 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 178.37 3drn n ASN 17 N -2.85 2.52 0.00 4.15 0.23 -1.26 -4.65 115.26 113.40 3drn n ASN 17 Ca -0.02 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 3drn n ASN 17 Cb 0.18 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 3drn n ASN 17 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3drn n GLY 18 N 1.01 0.98 3.87 4.83 0.00 0.29 -5.00 105.19 111.17 3drn n GLY 18 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3drn n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3drn s GLU 19 N -0.15 3.84 0.41 1.61 0.41 -1.25 -4.81 118.70 118.76 3drn s GLU 19 Ca 0.00 0.37 -0.22 0.00 -0.41 0.00 0.00 54.97 54.71 3drn s GLU 19 Cb 0.00 -2.58 -0.10 0.00 -1.78 0.00 0.00 34.13 29.67 3drn s GLU 19 CO 0.00 0.26 0.98 0.21 -0.49 0.00 0.00 175.26 176.21 3drn s LYS 20 N -2.93 4.24 -0.03 1.61 2.20 -1.26 -0.02 119.74 123.55 3drn s LYS 20 Ca 0.49 1.26 0.03 0.00 -0.36 0.00 0.00 55.97 57.40 3drn s LYS 20 Cb -0.11 -2.36 -0.00 0.00 -1.51 0.00 0.00 37.83 33.85 3drn s LYS 20 CO 0.21 -0.03 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.54 3drn s ILE 21 N -1.95 1.07 -0.15 5.43 2.07 0.22 -4.81 121.20 123.08 3drn s ILE 21 Ca 0.59 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 59.31 3drn s ILE 21 Cb -0.14 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.54 3drn s ILE 21 CO 0.19 0.32 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.91 3drn s SER 22 N 0.03 2.93 0.35 4.50 0.01 -1.26 -0.85 113.70 119.41 3drn s SER 22 Ca -0.01 -0.57 0.08 0.00 1.31 0.00 0.00 55.95 56.76 3drn s SER 22 Cb -0.09 -1.35 0.80 0.00 0.21 0.00 0.00 66.02 65.60 3drn s SER 22 CO 0.01 0.02 1.88 0.25 0.41 0.00 0.00 173.24 175.80 3drn h LEU 23 N 7.69 0.66 -2.97 2.44 5.85 -1.78 0.00 115.31 127.21 3drn h LEU 23 Ca -0.38 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3drn h LEU 23 Cb 1.16 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3drn h LEU 23 CO 0.57 0.35 0.01 0.77 -0.34 0.00 0.00 178.44 179.79 3drn h SER 24 N 0.70 0.00 1.04 1.25 4.64 -1.95 -0.43 113.55 118.81 3drn h SER 24 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3drn h SER 24 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3drn h SER 24 CO -0.19 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.24 3drn n ASP 25 N -3.10 0.58 -0.03 4.97 8.00 -0.01 -3.40 116.55 123.56 3drn n ASP 25 Ca -0.03 0.59 -0.00 0.00 0.71 0.00 0.00 54.79 56.06 3drn n ASP 25 Cb 0.08 -0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 40.36 3drn n ASP 25 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3drn n TYR 26 N -2.08 0.00 -1.68 1.24 4.02 -0.23 -4.85 117.16 113.58 3drn n TYR 26 Ca 0.04 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.48 3drn n TYR 26 Cb 0.32 -0.39 -0.04 0.00 -0.02 0.00 0.00 39.34 39.21 3drn n TYR 26 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3drn n ILE 27 N -2.15 0.02 0.00 -0.72 2.08 -0.87 -1.17 119.36 116.54 3drn n ILE 27 Ca -0.10 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.20 3drn n ILE 27 Cb 0.59 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.85 3drn n ILE 27 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3drn n GLY 28 N 3.49 3.07 0.11 7.39 0.00 -1.17 -4.78 105.19 113.30 3drn n GLY 28 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3drn n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3drn n LYS 29 N -1.82 0.68 -3.80 1.61 5.02 -0.32 -4.91 118.16 114.63 3drn n LYS 29 Ca 0.00 0.21 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 3drn n LYS 29 Cb 0.00 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 3drn n LYS 29 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3drn s HIS 30 N -2.56 0.05 0.62 2.13 3.76 -0.95 -5.05 115.29 113.28 3drn s HIS 30 Ca -0.14 -0.40 -0.14 0.00 -0.15 0.00 0.00 55.06 54.23 3drn s HIS 30 Cb 0.07 0.21 -0.03 0.00 1.11 0.00 0.00 32.58 33.95 3drn s HIS 30 CO 0.78 -0.81 1.05 -0.80 -0.85 0.00 0.00 174.74 174.12 3drn s ASN 31 N -2.89 5.71 -0.02 1.40 0.01 -0.37 -4.48 114.94 114.31 3drn s ASN 31 Ca 0.11 1.74 0.03 0.00 -0.71 0.00 0.00 52.86 54.03 3drn s ASN 31 Cb 0.01 -2.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3drn s ASN 31 CO -0.03 -1.22 -0.09 -0.63 -1.51 0.00 0.00 177.10 173.62 3drn s ILE 32 N -2.64 0.72 -0.26 0.60 1.01 0.73 -1.27 121.20 120.09 3drn s ILE 32 Ca 0.62 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.92 3drn s ILE 32 Cb -0.15 -0.63 0.05 0.00 0.01 0.00 0.00 42.46 41.74 3drn s ILE 32 CO 0.42 0.22 -0.08 -0.69 0.00 0.00 0.00 174.94 174.81 3drn s VAL 33 N 0.01 2.49 -0.32 2.92 1.01 -0.67 0.34 120.40 126.19 3drn s VAL 33 Ca 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 60.50 3drn s VAL 33 Cb -0.06 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.96 3drn s VAL 33 CO -0.00 0.02 0.07 -0.22 0.00 0.00 0.00 175.10 174.97 3drn s LEU 34 N 1.19 4.11 -0.06 3.92 2.96 0.02 -0.91 118.68 129.91 3drn s LEU 34 Ca -0.06 -1.12 0.06 0.00 -0.22 0.00 0.00 54.13 52.79 3drn s LEU 34 Cb -0.19 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 3drn s LEU 34 CO -0.04 -0.29 -0.23 -0.72 -1.32 0.00 0.00 176.35 173.75 3drn s TYR 35 N 1.37 2.48 -0.14 5.38 -0.85 -0.17 -1.02 117.35 124.41 3drn s TYR 35 Ca -0.02 -0.62 -0.06 0.00 -0.52 0.00 0.00 57.07 55.84 3drn s TYR 35 Cb -0.19 -1.61 -0.04 0.00 0.38 0.00 0.00 41.96 40.50 3drn s TYR 35 CO 0.01 -0.15 0.09 -0.06 -1.52 0.00 0.00 175.55 173.93 3drn s PHE 36 N -0.25 3.41 0.03 -3.49 0.40 -0.20 -0.38 117.98 117.51 3drn s PHE 36 Ca -0.01 0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 3drn s PHE 36 Cb -0.13 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 3drn s PHE 36 CO 0.03 0.51 -0.05 1.52 0.70 0.00 0.00 175.22 177.93 3drn s TYR 37 N -0.54 0.48 0.07 0.36 -0.85 -0.59 -2.70 117.35 113.57 3drn s TYR 37 Ca 0.11 -0.57 -0.37 0.00 -0.52 0.00 0.00 57.07 55.72 3drn s TYR 37 Cb -0.12 -0.31 -0.19 0.00 0.38 0.00 0.00 41.96 41.73 3drn s TYR 37 CO 0.02 -0.16 1.57 -1.35 -1.52 0.00 0.00 175.55 174.11 3drn h PRO 38 N 4.41 -1.14 -2.95 -3.49 0.11 -1.81 -3.39 132.00 123.75 3drn h PRO 38 Ca -0.34 0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.73 3drn h PRO 38 Cb 1.20 0.26 -0.21 0.00 0.11 0.00 0.00 31.00 32.36 3drn h PRO 38 CO 0.44 -0.76 -0.26 0.21 -0.21 0.00 0.00 178.00 177.42 3drn s LYS 39 N -5.94 0.63 0.62 1.05 2.20 -1.26 -4.37 119.74 112.68 3drn s LYS 39 Ca -0.19 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.23 3drn s LYS 39 Cb 0.03 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 3drn s LYS 39 CO 0.60 -0.16 1.25 -0.51 -0.36 0.00 0.00 175.35 176.17 3drn s ASP 40 N -0.96 4.87 -1.40 1.43 1.01 -1.26 -3.93 116.67 116.43 3drn s ASP 40 Ca -0.10 2.50 -0.03 0.00 0.71 0.00 0.00 52.55 55.62 3drn s ASP 40 Cb -0.04 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.28 3drn s ASP 40 CO 0.04 -1.82 0.38 -0.67 0.21 0.00 0.00 175.17 173.31 3drn n ASP 41 N -1.79 -0.62 -4.45 0.27 2.03 -1.26 -5.00 116.55 105.72 3drn n ASP 41 Ca 0.15 -1.07 -0.24 0.00 0.52 0.00 0.00 54.79 54.15 3drn n ASP 41 Cb 0.49 -2.77 -0.10 0.00 -0.72 0.00 0.00 41.12 38.02 3drn n ASP 41 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3drn s THR 42 N -3.98 2.41 0.11 5.18 -4.23 -1.25 -4.96 115.64 108.92 3drn s THR 42 Ca 0.06 -2.35 -0.27 0.00 -1.18 0.00 0.00 61.69 57.95 3drn s THR 42 Cb -0.02 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.47 3drn s THR 42 CO 0.91 -0.38 1.46 -0.65 -0.54 0.00 0.00 174.62 175.42 3drn h PRO 43 N 2.41 -0.26 -0.18 3.99 0.11 -1.94 0.24 132.00 136.36 3drn h PRO 43 Ca -0.41 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3drn h PRO 43 Cb 1.25 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3drn h PRO 43 CO 0.59 -0.17 0.09 0.78 -0.21 0.00 0.00 178.00 179.08 3drn h GLY 44 N -0.27 0.28 2.00 -0.55 0.00 -1.97 -1.48 103.07 101.09 3drn h GLY 44 Ca 0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 3drn h GLY 44 CO -0.56 0.13 -0.49 1.76 0.00 0.00 0.00 176.54 177.38 3drn h SER 45 N 0.18 0.00 -0.33 0.19 0.02 -1.81 -0.67 113.55 111.13 3drn h SER 45 Ca 0.06 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 3drn h SER 45 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3drn h SER 45 CO -0.01 0.49 -0.32 0.74 -1.14 0.00 0.00 176.83 176.59 3drn h THR 46 N 0.00 1.28 -0.38 -2.27 2.02 -0.40 0.25 112.91 113.40 3drn h THR 46 Ca -0.00 -1.48 -0.03 0.00 0.77 0.00 0.00 66.41 65.66 3drn h THR 46 Cb 0.86 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 3drn h THR 46 CO 0.06 0.49 0.10 -0.09 0.37 0.00 0.00 175.52 176.46 3drn h ARG 47 N 0.73 0.60 -0.18 6.66 2.43 -0.83 0.15 114.38 123.94 3drn h ARG 47 Ca 0.08 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3drn h ARG 47 Cb 0.88 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 3drn h ARG 47 CO 0.08 0.63 0.06 1.49 -1.51 0.00 0.00 179.97 180.72 3drn h GLU 48 N 0.47 0.28 -0.82 0.20 4.81 -0.95 -0.27 114.58 118.29 3drn h GLU 48 Ca 0.12 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3drn h GLU 48 Cb 0.29 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3drn h GLU 48 CO -0.00 0.37 0.45 0.00 -0.73 0.00 0.00 179.01 179.11 3drn h ALA 49 N 0.89 1.05 -0.72 2.92 0.00 -0.82 -2.19 119.26 120.40 3drn h ALA 49 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3drn h ALA 49 Cb 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3drn h ALA 49 CO -0.00 0.56 0.27 0.77 0.00 0.00 0.00 179.25 180.85 3drn h SER 50 N 1.14 1.00 -0.69 0.00 0.02 -0.46 -1.00 113.55 113.56 3drn h SER 50 Ca 0.29 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3drn h SER 50 Cb 0.02 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3drn h SER 50 CO -0.05 0.91 0.41 0.00 -1.14 0.00 0.00 176.83 176.97 3drn h ALA 51 N 1.13 0.88 -0.67 3.77 0.00 -0.64 0.21 119.26 123.94 3drn h ALA 51 Ca 0.24 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3drn h ALA 51 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3drn h ALA 51 CO -0.02 0.36 0.22 0.74 0.00 0.00 0.00 179.25 180.56 3drn h PHE 52 N 0.94 1.06 -0.05 0.00 0.04 -1.05 -2.68 116.94 115.19 3drn h PHE 52 Ca 0.25 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 3drn h PHE 52 Cb -0.02 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 37.82 3drn h PHE 52 CO -0.01 0.85 0.03 -0.09 -0.60 0.00 0.00 178.31 178.48 3drn h ARG 53 N 0.96 0.07 0.00 1.51 2.43 -0.49 -2.48 114.38 116.38 3drn h ARG 53 Ca 0.22 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3drn h ARG 53 Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3drn h ARG 53 CO -0.01 0.09 0.00 -0.44 -1.51 0.00 0.00 179.97 178.10 3drn h ASP 54 N 0.02 0.00 -0.24 -3.80 3.32 -0.40 -1.03 116.42 114.30 3drn h ASP 54 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3drn h ASP 54 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3drn h ASP 54 CO -0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3drn n ASN 55 N -2.38 2.84 -0.16 6.45 4.13 -0.98 -4.76 115.26 120.39 3drn n ASN 55 Ca -0.01 -2.20 -0.04 0.00 1.68 0.00 0.00 54.58 54.01 3drn n ASN 55 Cb 0.05 -0.24 0.03 0.00 -1.54 0.00 0.00 39.78 38.09 3drn n ASN 55 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 3drn h TRP 56 N 1.46 -0.42 -0.85 3.10 -0.00 -0.75 -0.05 115.95 118.43 3drn h TRP 56 Ca 0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 58.91 3drn h TRP 56 Cb 0.80 0.26 -0.04 0.00 -0.00 0.00 0.00 29.16 30.18 3drn h TRP 56 CO 0.21 -0.27 0.42 -0.44 -0.00 0.00 0.00 178.44 178.36 3drn h ASP 57 N -0.06 1.11 -0.56 2.65 3.32 -1.86 -2.34 116.42 118.68 3drn h ASP 57 Ca 0.24 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3drn h ASP 57 Cb 0.43 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3drn h ASP 57 CO -0.55 0.92 0.16 0.25 -1.72 0.00 0.00 179.24 178.31 3drn h LEU 58 N 1.21 0.83 -2.75 1.55 5.85 -1.67 -2.49 115.31 117.84 3drn h LEU 58 Ca 0.29 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3drn h LEU 58 Cb 0.10 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3drn h LEU 58 CO -0.04 0.83 0.01 -0.07 -0.34 0.00 0.00 178.44 178.83 3drn h LEU 59 N 0.79 0.00 -1.43 2.25 3.38 -0.52 -1.58 115.31 118.20 3drn h LEU 59 Ca 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3drn h LEU 59 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3drn h LEU 59 CO -0.00 0.00 -0.29 0.11 0.09 0.00 0.00 178.44 178.35 3drn h LYS 60 N 0.00 0.00 0.00 1.13 1.57 -1.05 -2.33 116.57 115.89 3drn h LYS 60 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3drn h LYS 60 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3drn h LYS 60 CO -0.00 0.29 0.00 -0.25 -0.57 0.00 0.00 179.45 178.92 3drn n ASP 61 N -4.15 0.52 -1.08 0.86 8.00 -0.59 -3.09 116.55 117.01 3drn n ASP 61 Ca -0.02 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.17 3drn n ASP 61 Cb 0.34 -0.72 0.27 0.00 -0.02 0.00 0.00 41.12 40.98 3drn n ASP 61 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3drn n TYR 62 N -2.05 1.05 -3.55 1.24 4.02 -0.88 -5.01 117.16 111.98 3drn n TYR 62 Ca 0.03 -0.70 -0.33 0.00 -0.01 0.00 0.00 57.90 56.89 3drn n TYR 62 Cb 0.26 -0.24 0.03 0.00 -0.02 0.00 0.00 39.34 39.37 3drn n TYR 62 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3drn n ASP 63 N 0.25 -5.49 -3.89 7.72 2.03 -1.18 -4.69 116.55 111.31 3drn n ASP 63 Ca 0.20 -0.34 -0.11 0.00 0.52 0.00 0.00 54.79 55.06 3drn n ASP 63 Cb 0.80 -1.92 -0.10 0.00 -0.72 0.00 0.00 41.12 39.18 3drn n ASP 63 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3drn s VAL 64 N -1.97 0.09 -0.13 5.18 0.11 -1.26 -1.23 120.40 121.19 3drn s VAL 64 Ca 0.27 -0.77 -0.01 0.00 -2.93 0.00 0.00 61.98 58.54 3drn s VAL 64 Cb -0.03 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 3drn s VAL 64 CO 0.88 -0.42 -0.10 0.54 -3.33 0.00 0.00 175.10 172.66 3drn s VAL 65 N -1.59 3.36 -0.21 2.04 0.11 -0.40 -4.92 120.40 118.78 3drn s VAL 65 Ca -0.13 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.29 3drn s VAL 65 Cb -0.07 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.33 3drn s VAL 65 CO 0.00 0.52 0.05 -0.69 -3.33 0.00 0.00 175.10 171.66 3drn s VAL 66 N 0.22 4.41 -0.13 2.04 1.01 -1.26 -1.67 120.40 125.01 3drn s VAL 66 Ca -0.06 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3drn s VAL 66 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3drn s VAL 66 CO 0.04 0.41 -0.15 -0.63 0.00 0.00 0.00 175.10 174.77 3drn s ILE 67 N 0.98 1.58 0.04 2.22 1.01 -0.09 -2.51 121.20 124.44 3drn s ILE 67 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 3drn s ILE 67 Cb -0.14 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3drn s ILE 67 CO 0.03 0.46 0.19 -0.83 0.00 0.00 0.00 174.94 174.79 3drn s GLY 68 N 1.20 2.18 -0.01 6.18 0.00 0.59 -0.99 107.32 116.46 3drn s GLY 68 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3drn s GLY 68 CO -0.06 -0.79 0.00 0.14 0.00 0.00 0.00 173.10 172.40 3drn s VAL 69 N -1.45 0.07 0.23 1.40 1.01 0.48 0.19 120.40 122.33 3drn s VAL 69 Ca 0.33 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 3drn s VAL 69 Cb -0.13 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.13 3drn s VAL 69 CO 0.25 0.08 0.53 -0.94 0.00 0.00 0.00 175.10 175.02 3drn s SER 70 N 0.55 -0.19 0.00 3.32 1.04 -1.15 -1.55 113.70 115.72 3drn s SER 70 Ca -0.05 -0.68 0.31 0.00 0.48 0.00 0.00 55.95 56.02 3drn s SER 70 Cb -0.07 0.60 1.88 0.00 0.10 0.00 0.00 66.02 68.52 3drn s SER 70 CO -0.01 -1.13 2.20 -1.20 0.98 0.00 0.00 173.24 174.08 3drn n SER 71 N -0.37 0.00 -4.78 7.02 7.64 -1.26 -0.99 113.62 120.88 3drn n SER 71 Ca -0.06 -0.98 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 3drn n SER 71 Cb 0.62 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.84 3drn n SER 71 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3drn s ASP 72 N -2.00 5.38 0.99 6.43 1.01 -1.26 -4.26 116.67 122.95 3drn s ASP 72 Ca 0.47 1.97 -0.16 0.00 0.71 0.00 0.00 52.55 55.54 3drn s ASP 72 Cb 0.22 -2.55 0.20 0.00 1.01 0.00 0.00 42.92 41.80 3drn s ASP 72 CO 0.36 -1.44 1.26 1.51 0.21 0.00 0.00 175.17 177.07 3drn s ASP 73 N -2.54 2.85 0.11 0.27 1.47 -1.26 -4.30 116.67 113.28 3drn s ASP 73 Ca 0.67 0.42 -0.23 0.00 1.18 0.00 0.00 52.55 54.59 3drn s ASP 73 Cb -0.20 -0.57 -0.07 0.00 -0.34 0.00 0.00 42.92 41.74 3drn s ASP 73 CO 0.38 -2.91 1.69 0.40 0.68 0.00 0.00 175.17 175.41 3drn h ILE 74 N -1.76 0.70 -0.92 2.11 1.08 -1.93 -1.38 117.51 115.41 3drn h ILE 74 Ca -0.45 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.04 3drn h ILE 74 Cb 1.26 0.70 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 3drn h ILE 74 CO 0.41 0.00 0.61 0.78 -0.69 0.00 0.00 178.15 179.26 3drn h ASN 75 N -0.18 1.03 -0.69 1.72 2.35 -1.94 0.11 115.58 117.98 3drn h ASN 75 Ca 0.05 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3drn h ASN 75 Cb 0.25 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3drn h ASN 75 CO -0.14 0.73 0.33 -1.28 -1.65 0.00 0.00 177.43 175.41 3drn h SER 76 N 1.21 0.93 -0.30 5.81 0.87 -1.86 -1.38 113.55 118.83 3drn h SER 76 Ca 0.35 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 3drn h SER 76 Cb -0.07 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.64 3drn h SER 76 CO -0.10 0.80 0.04 0.45 -0.53 0.00 0.00 176.83 177.49 3drn h HIS 77 N 1.02 0.54 -0.42 2.24 3.86 -0.00 -1.51 115.15 120.87 3drn h HIS 77 Ca 0.25 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3drn h HIS 77 Cb 0.13 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 3drn h HIS 77 CO 0.01 0.61 0.26 0.87 0.86 0.00 0.00 177.93 180.54 3drn h LYS 78 N 0.32 0.57 -0.39 2.45 1.57 -0.52 -0.42 116.57 120.15 3drn h LYS 78 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3drn h LYS 78 Cb 0.37 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3drn h LYS 78 CO 0.01 0.41 0.19 0.00 -0.57 0.00 0.00 179.45 179.49 3drn h ARG 79 N 0.56 0.56 -0.32 3.15 3.08 -1.19 0.25 114.38 120.47 3drn h ARG 79 Ca 0.15 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3drn h ARG 79 Cb -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3drn h ARG 79 CO -0.03 0.48 0.18 0.35 -1.07 0.00 0.00 179.97 179.88 3drn h PHE 80 N 0.49 0.43 -0.51 3.04 3.57 -1.12 0.13 116.94 122.98 3drn h PHE 80 Ca 0.13 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3drn h PHE 80 Cb 0.10 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3drn h PHE 80 CO -0.02 0.34 0.21 -0.22 -2.23 0.00 0.00 178.31 176.39 3drn h LYS 81 N 0.40 0.75 -0.30 1.11 3.64 -0.86 -2.46 116.57 118.84 3drn h LYS 81 Ca 0.11 -0.13 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 3drn h LYS 81 Cb 0.05 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3drn h LYS 81 CO -0.02 0.66 -0.38 1.49 -2.27 0.00 0.00 179.45 178.93 3drn h GLU 82 N 0.68 0.79 -0.09 1.90 4.57 -0.32 -0.35 114.58 121.76 3drn h GLU 82 Ca 0.17 -0.45 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 3drn h GLU 82 Cb 0.19 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3drn h GLU 82 CO -0.01 1.08 -0.03 -0.22 -1.18 0.00 0.00 179.01 178.65 3drn h LYS 83 N 0.56 0.13 -0.07 1.92 3.64 -0.62 -3.00 116.57 119.12 3drn h LYS 83 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3drn h LYS 83 Cb 0.97 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3drn h LYS 83 CO 0.09 0.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.10 3drn n TYR 84 N -4.43 0.14 -3.80 1.91 4.02 -0.94 -5.00 117.16 109.07 3drn n TYR 84 Ca -0.01 -0.66 -0.27 0.00 -0.01 0.00 0.00 57.90 56.95 3drn n TYR 84 Cb 0.16 -0.09 0.04 0.00 -0.02 0.00 0.00 39.34 39.42 3drn n TYR 84 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3drn n LYS 85 N -0.59 -5.69 -2.43 -0.72 4.01 -0.38 -4.93 118.16 107.44 3drn n LYS 85 Ca 0.08 0.64 -0.42 0.00 -0.51 0.00 0.00 58.31 58.09 3drn n LYS 85 Cb 0.43 -5.46 -0.03 0.00 -0.51 0.00 0.00 35.03 29.46 3drn n LYS 85 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3drn s LEU 86 N -7.09 4.32 0.20 -0.35 1.43 -0.28 -4.93 118.68 111.98 3drn s LEU 86 Ca 0.45 1.91 0.24 0.00 -1.03 0.00 0.00 54.13 55.70 3drn s LEU 86 Cb -0.22 -3.57 0.25 0.00 0.03 0.00 0.00 46.19 42.68 3drn s LEU 86 CO 0.81 -0.55 1.29 1.55 0.23 0.00 0.00 176.35 179.68 3drn h PRO 87 N 7.26 0.00 0.00 1.29 0.13 -1.91 -3.46 132.00 135.31 3drn h PRO 87 Ca -0.37 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.36 3drn h PRO 87 Cb 1.18 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.43 3drn h PRO 87 CO 0.86 0.00 0.24 1.97 -0.23 0.00 0.00 178.00 180.83 3drn n PHE 88 N -2.48 -3.48 -3.20 1.56 1.16 -1.26 -5.08 117.46 104.69 3drn n PHE 88 Ca 0.02 -1.33 -0.36 0.00 -1.87 0.00 0.00 57.45 53.92 3drn n PHE 88 Cb 0.49 -0.78 -0.06 0.00 -1.61 0.00 0.00 39.48 37.52 3drn n PHE 88 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3drn s ILE 89 N -3.16 4.68 -0.10 1.97 1.01 -1.04 -4.99 121.20 119.57 3drn s ILE 89 Ca 0.63 1.10 0.02 0.00 0.00 0.00 0.00 60.65 62.40 3drn s ILE 89 Cb -0.03 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.66 3drn s ILE 89 CO 0.43 0.21 -0.14 -0.76 0.00 0.00 0.00 174.94 174.68 3drn s LEU 90 N -2.01 1.68 -0.09 2.97 1.43 -1.26 -0.30 118.68 121.10 3drn s LEU 90 Ca 0.41 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3drn s LEU 90 Cb -0.16 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 3drn s LEU 90 CO 0.20 0.01 0.00 -0.69 0.23 0.00 0.00 176.35 176.10 3drn s VAL 91 N 0.95 4.30 -0.06 -1.59 1.01 0.13 -0.69 120.40 124.45 3drn s VAL 91 Ca -0.08 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.47 3drn s VAL 91 Cb -0.15 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3drn s VAL 91 CO -0.01 0.60 0.48 -0.44 0.00 0.00 0.00 175.10 175.73 3drn s SER 92 N -0.80 6.78 -0.53 3.32 0.01 -0.64 -2.96 113.70 118.89 3drn s SER 92 Ca 0.12 0.93 0.07 0.00 1.31 0.00 0.00 55.95 58.38 3drn s SER 92 Cb -0.11 -2.29 0.33 0.00 0.21 0.00 0.00 66.02 64.15 3drn s SER 92 CO 0.02 0.11 0.86 -0.67 0.41 0.00 0.00 173.24 173.97 3drn n ASP 93 N 2.96 3.37 -0.36 2.44 2.03 -0.16 -4.28 116.55 122.55 3drn n ASP 93 Ca -0.09 -3.46 0.05 0.00 0.52 0.00 0.00 54.79 51.82 3drn n ASP 93 Cb 0.52 -0.59 0.13 0.00 -0.72 0.00 0.00 41.12 40.46 3drn n ASP 93 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3drn h PRO 94 N 3.18 -0.00 -0.45 -0.67 0.11 -1.82 -0.81 132.00 131.54 3drn h PRO 94 Ca 0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 3drn h PRO 94 Cb 0.64 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 3drn h PRO 94 CO 0.73 -0.00 0.02 -3.47 -0.21 0.00 0.00 178.00 175.08 3drn n ASP 95 N -5.61 4.79 -1.84 -2.05 -0.08 -1.26 -4.96 116.55 105.54 3drn n ASP 95 Ca 0.15 -3.03 -0.18 0.00 -1.51 0.00 0.00 54.79 50.23 3drn n ASP 95 Cb 0.49 -0.63 -0.05 0.00 2.34 0.00 0.00 41.12 43.26 3drn n ASP 95 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3drn n LYS 96 N 0.01 -1.56 0.02 -0.67 5.02 -0.31 -4.88 118.16 115.79 3drn n LYS 96 Ca 0.27 1.01 -0.06 0.00 -2.02 0.00 0.00 58.31 57.51 3drn n LYS 96 Cb 1.09 -5.46 0.13 0.00 -0.02 0.00 0.00 35.03 30.77 3drn n LYS 96 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3drn h LYS 97 N 0.00 0.48 -0.27 1.97 1.79 -1.93 -1.26 116.57 117.34 3drn h LYS 97 Ca -0.40 -0.24 -0.13 0.00 -2.18 0.00 0.00 60.65 57.70 3drn h LYS 97 Cb 1.24 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3drn h LYS 97 CO 0.54 0.81 -0.35 0.82 -1.08 0.00 0.00 179.45 180.19 3drn h ILE 98 N 0.39 1.30 -0.33 1.86 2.04 -1.90 -1.71 117.51 119.16 3drn h ILE 98 Ca 0.03 -1.54 0.01 0.00 1.00 0.00 0.00 64.86 64.36 3drn h ILE 98 Cb 0.90 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3drn h ILE 98 CO 0.08 0.49 0.20 0.03 0.00 0.00 0.00 178.15 178.95 3drn h ARG 99 N 0.46 0.39 -0.66 2.37 3.08 -1.90 -1.82 114.38 116.30 3drn h ARG 99 Ca 0.03 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3drn h ARG 99 Cb 0.94 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 3drn h ARG 99 CO 0.08 0.26 0.39 1.49 -1.07 0.00 0.00 179.97 181.13 3drn h GLU 100 N 0.40 0.73 -0.90 0.04 4.81 -1.17 0.17 114.58 118.67 3drn h GLU 100 Ca 0.13 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3drn h GLU 100 Cb -0.01 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.14 3drn h GLU 100 CO -0.06 0.49 0.56 1.25 -0.73 0.00 0.00 179.01 180.52 3drn h LEU 101 N 0.76 0.86 -1.77 1.64 5.85 -0.74 -1.88 115.31 120.03 3drn h LEU 101 Ca 0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3drn h LEU 101 Cb 0.08 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3drn h LEU 101 CO -0.13 0.53 0.00 -1.22 -0.34 0.00 0.00 178.44 177.28 3drn n TYR 102 N -4.62 0.57 -2.74 1.25 4.02 -0.71 -4.86 117.16 110.07 3drn n TYR 102 Ca 0.14 -0.28 -0.21 0.00 -0.01 0.00 0.00 57.90 57.54 3drn n TYR 102 Cb 0.21 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.55 3drn n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3drn n GLY 103 N 1.29 -0.45 1.31 2.72 0.00 0.03 -4.82 105.19 105.26 3drn n GLY 103 Ca 0.17 0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.23 3drn n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drn n ALA 104 N -2.87 3.77 0.08 4.61 0.00 0.37 -4.62 120.51 121.85 3drn n ALA 104 Ca -0.16 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.79 3drn n ALA 104 Cb 0.64 -0.89 0.31 0.00 0.00 0.00 0.00 19.45 19.52 3drn n ALA 104 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3drn h LYS 105 N 1.95 0.32 0.00 0.00 1.57 -1.91 -2.95 116.57 115.55 3drn h LYS 105 Ca 0.13 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 3drn h LYS 105 Cb 1.77 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 3drn h LYS 105 CO 0.42 0.50 -0.04 0.41 -0.57 0.00 0.00 179.45 180.17 3drn n GLY 106 N -0.66 -2.13 1.33 3.86 0.00 -1.26 -3.88 105.19 102.45 3drn n GLY 106 Ca -0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3drn n GLY 106 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3drn n PHE 107 N -0.93 -0.41 1.27 1.61 3.01 -1.26 -4.79 117.46 115.97 3drn n PHE 107 Ca 0.00 0.07 0.13 0.00 1.01 0.00 0.00 57.45 58.66 3drn n PHE 107 Cb 0.05 0.17 0.33 0.00 -0.01 0.00 0.00 39.48 40.02 3drn n PHE 107 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 3drn n ILE 108 N -3.16 0.00 0.00 4.37 -5.35 -1.26 -4.97 119.36 108.99 3drn n ILE 108 Ca 0.00 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 3drn n ILE 108 Cb 0.18 0.86 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 3drn n ILE 108 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3drn n LEU 109 N 0.42 0.00 -4.64 7.28 -0.00 -1.26 -5.13 117.00 113.68 3drn n LEU 109 Ca 0.16 0.00 -0.49 0.00 -0.00 0.00 0.00 56.01 55.68 3drn n LEU 109 Cb 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.81 3drn n LEU 109 CO 0.18 0.00 1.07 -2.65 -0.00 0.00 0.00 177.39 175.99 3drn n PRO 110 N -0.37 1.71 -2.15 1.47 -0.02 -1.25 -4.27 135.00 130.13 3drn n PRO 110 Ca 0.00 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.69 3drn n PRO 110 Cb 0.00 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.13 3drn n PRO 110 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3drn s ALA 111 N 0.76 3.46 -0.72 3.55 0.00 -1.12 -4.46 121.76 123.24 3drn s ALA 111 Ca 0.81 1.22 -0.16 0.00 0.00 0.00 0.00 51.96 53.83 3drn s ALA 111 Cb -0.80 -3.46 0.17 0.00 0.00 0.00 0.00 23.12 19.02 3drn s ALA 111 CO 0.42 -0.60 0.72 0.50 0.00 0.00 0.00 175.76 176.79 3drn s ARG 112 N -1.81 3.34 -0.01 0.00 3.52 -1.26 -4.30 118.95 118.42 3drn s ARG 112 Ca 0.49 -1.99 0.02 0.00 -0.13 0.00 0.00 55.73 54.13 3drn s ARG 112 Cb -0.39 -4.42 -0.01 0.00 -1.56 0.00 0.00 34.95 28.58 3drn s ARG 112 CO 0.51 -1.40 -0.08 -1.50 -0.81 0.00 0.00 175.30 172.02 3drn s ILE 113 N 1.26 0.65 -0.04 4.11 2.07 -1.10 -1.60 121.20 126.55 3drn s ILE 113 Ca 0.14 -0.35 0.07 0.00 -1.41 0.00 0.00 60.65 59.11 3drn s ILE 113 Cb -0.18 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.85 3drn s ILE 113 CO -0.03 0.19 -0.25 -0.89 -1.91 0.00 0.00 174.94 172.04 3drn s THR 114 N -0.15 2.08 -0.05 4.00 2.01 -0.07 -1.03 115.64 122.44 3drn s THR 114 Ca 0.02 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.01 3drn s THR 114 Cb -0.04 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 3drn s THR 114 CO -0.00 0.58 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.89 3drn s PHE 115 N -0.42 2.43 -0.20 4.92 0.08 -0.19 -1.15 117.98 123.45 3drn s PHE 115 Ca 0.04 -0.70 -0.02 0.00 0.12 0.00 0.00 56.93 56.37 3drn s PHE 115 Cb -0.12 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3drn s PHE 115 CO 0.01 -0.20 -0.09 0.08 -0.10 0.00 0.00 175.22 174.92 3drn s VAL 116 N -0.20 3.06 -0.11 -0.44 1.01 -0.52 -0.80 120.40 122.39 3drn s VAL 116 Ca -0.02 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3drn s VAL 116 Cb -0.13 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3drn s VAL 116 CO 0.03 0.46 -0.13 -0.63 0.00 0.00 0.00 175.10 174.83 3drn s ILE 117 N 1.25 3.07 0.60 2.22 1.01 0.15 -0.06 121.20 129.44 3drn s ILE 117 Ca 0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 3drn s ILE 117 Cb -0.14 -2.27 0.13 0.00 0.01 0.00 0.00 42.46 40.19 3drn s ILE 117 CO -0.04 0.54 0.82 -0.90 0.00 0.00 0.00 174.94 175.36 3drn n ASP 118 N 3.23 0.50 0.00 3.58 5.68 -0.49 -0.19 116.55 128.85 3drn n ASP 118 Ca -0.18 -1.56 0.09 0.00 -0.50 0.00 0.00 54.79 52.64 3drn n ASP 118 Cb 0.53 -0.58 0.49 0.00 -1.14 0.00 0.00 41.12 40.41 3drn n ASP 118 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3drn n LYS 119 N -2.63 0.37 -0.26 0.11 5.02 -1.26 -1.45 118.16 118.06 3drn n LYS 119 Ca 0.12 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.59 3drn n LYS 119 Cb 0.41 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.16 3drn n LYS 119 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3drn n LYS 120 N -1.18 2.57 -1.39 1.97 5.02 -1.26 -3.04 118.16 120.85 3drn n LYS 120 Ca 0.10 -2.37 -0.08 0.00 -2.02 0.00 0.00 58.31 53.94 3drn n LYS 120 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 3drn n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3drn n GLY 121 N 1.41 0.87 3.78 0.72 0.00 -0.53 -4.95 105.19 106.49 3drn n GLY 121 Ca 0.20 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3drn n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3drn s ILE 122 N -2.33 5.32 -0.09 -0.61 -1.09 -1.26 -0.37 121.20 120.77 3drn s ILE 122 Ca 0.00 0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.27 3drn s ILE 122 Cb 0.00 -3.37 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3drn s ILE 122 CO 0.00 0.53 1.40 -0.63 -1.23 0.00 0.00 174.94 175.00 3drn s ILE 123 N -0.29 3.96 -0.53 2.92 1.01 -0.17 -1.40 121.20 126.70 3drn s ILE 123 Ca 0.11 1.22 0.16 0.00 0.00 0.00 0.00 60.65 62.13 3drn s ILE 123 Cb -0.12 -3.78 -0.19 0.00 0.01 0.00 0.00 42.46 38.38 3drn s ILE 123 CO 0.01 -0.08 0.57 0.54 0.00 0.00 0.00 174.94 175.99 3drn n ARG 124 N 6.36 1.43 -3.62 2.79 5.12 0.91 -0.77 116.66 128.88 3drn n ARG 124 Ca 0.14 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.92 3drn n ARG 124 Cb 0.44 -1.28 -0.07 0.00 -1.16 0.00 0.00 32.46 30.39 3drn n ARG 124 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3drn s HIS 125 N -2.67 -0.51 -0.05 -1.55 2.46 -1.18 -4.94 115.29 106.85 3drn s HIS 125 Ca 0.02 1.17 0.01 0.00 0.47 0.00 0.00 55.06 56.74 3drn s HIS 125 Cb 0.11 0.37 0.02 0.00 -0.13 0.00 0.00 32.58 32.95 3drn s HIS 125 CO 0.65 -0.29 -0.07 0.42 -2.47 0.00 0.00 174.74 172.98 3drn s ILE 126 N -0.05 0.75 -0.19 0.89 1.01 -1.26 -1.44 121.20 120.91 3drn s ILE 126 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 3drn s ILE 126 Cb -0.04 -0.73 0.05 0.00 0.01 0.00 0.00 42.46 41.75 3drn s ILE 126 CO -0.03 0.27 -0.03 -0.47 0.00 0.00 0.00 174.94 174.68 3drn s TYR 127 N 0.83 1.67 -0.32 3.97 5.04 -0.30 -4.98 117.35 123.26 3drn s TYR 127 Ca -0.12 -1.17 -0.02 0.00 -2.44 0.00 0.00 57.07 53.31 3drn s TYR 127 Cb -0.15 -1.29 0.06 0.00 0.35 0.00 0.00 41.96 40.93 3drn s TYR 127 CO 0.01 -0.65 0.04 1.21 -1.34 0.00 0.00 175.55 174.83 3drn s ASN 128 N 1.64 4.99 -0.27 4.32 3.84 -1.26 -0.89 114.94 127.31 3drn s ASN 128 Ca -0.01 -1.40 -0.03 0.00 0.21 0.00 0.00 52.86 51.63 3drn s ASN 128 Cb -0.17 -1.75 0.15 0.00 -0.55 0.00 0.00 41.25 38.94 3drn s ASN 128 CO -0.07 -0.31 0.52 -0.55 -2.79 0.00 0.00 177.10 173.89 3drn s SER 129 N 1.35 -0.75 0.07 -4.21 0.15 -0.63 -5.01 113.70 104.68 3drn s SER 129 Ca -0.02 0.80 -0.16 0.00 0.70 0.00 0.00 55.95 57.27 3drn s SER 129 Cb -0.20 1.79 -0.16 0.00 -1.71 0.00 0.00 66.02 65.74 3drn s SER 129 CO -0.01 -0.26 1.28 -0.61 1.20 0.00 0.00 173.24 174.84 3drn h GLN 130 N 8.07 0.64 0.00 5.44 5.75 -1.98 -3.33 115.11 129.70 3drn h GLN 130 Ca -0.20 -0.49 0.00 0.00 -0.15 0.00 0.00 58.65 57.80 3drn h GLN 130 Cb 1.14 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.79 3drn h GLN 130 CO 0.23 1.11 0.00 0.52 -2.65 0.00 0.00 178.83 178.04 3drn h MET 131 N 0.31 0.00 -2.29 1.69 2.86 -1.96 -3.36 114.93 112.18 3drn h MET 131 Ca -0.03 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 56.99 3drn h MET 131 Cb 1.19 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 32.45 3drn h MET 131 CO 0.12 0.00 -0.39 0.09 1.06 0.00 0.00 176.91 177.79 3drn n ASN 132 N -2.70 4.66 -0.25 1.22 3.02 -1.25 -4.93 115.26 115.03 3drn n ASN 132 Ca 0.02 -3.61 0.06 0.00 -0.03 0.00 0.00 54.58 51.02 3drn n ASN 132 Cb 0.34 -0.69 0.19 0.00 -0.61 0.00 0.00 39.78 39.01 3drn n ASN 132 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3drn h PRO 133 N 3.57 0.33 0.00 3.52 0.13 -1.79 -1.46 132.00 136.30 3drn h PRO 133 Ca 0.19 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 3drn h PRO 133 Cb 0.54 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3drn h PRO 133 CO 0.89 0.22 -0.20 0.00 -0.23 0.00 0.00 178.00 178.67 3drn h ALA 134 N 1.59 1.04 0.00 -0.56 0.00 -1.87 -3.01 119.26 116.45 3drn h ALA 134 Ca 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3drn h ALA 134 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3drn h ALA 134 CO -0.47 0.25 0.00 -1.71 0.00 0.00 0.00 179.25 177.32 3drn n ASN 135 N -3.40 0.70 -0.21 0.00 4.05 -0.55 -3.38 115.26 112.46 3drn n ASN 135 Ca -0.00 0.63 -0.01 0.00 0.45 0.00 0.00 54.58 55.65 3drn n ASN 135 Cb 0.40 -0.79 0.20 0.00 1.23 0.00 0.00 39.78 40.82 3drn n ASN 135 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 177.26 174.66 3drn h HIS 136 N 0.00 0.97 -0.13 1.20 3.86 -1.56 -1.53 115.15 117.96 3drn h HIS 136 Ca 0.00 -0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 3drn h HIS 136 Cb 0.49 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3drn h HIS 136 CO 0.00 0.68 -0.50 -0.24 0.86 0.00 0.00 177.93 178.73 3drn h VAL 137 N 0.99 1.34 -0.47 2.45 3.04 -1.79 -1.60 116.25 120.22 3drn h VAL 137 Ca 0.25 -1.74 -0.06 0.00 -1.01 0.00 0.00 66.70 64.14 3drn h VAL 137 Cb 0.04 1.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.09 3drn h VAL 137 CO -0.04 0.53 0.05 0.78 -1.01 0.00 0.00 177.57 177.88 3drn h ASN 138 N 0.28 0.76 -0.56 3.17 2.35 -1.55 -0.37 115.58 119.65 3drn h ASN 138 Ca 0.01 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 3drn h ASN 138 Cb 0.98 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 3drn h ASN 138 CO 0.08 0.84 0.02 -0.33 -1.65 0.00 0.00 177.43 176.39 3drn h GLU 139 N 0.65 1.01 -0.72 0.81 4.39 -1.17 -0.84 114.58 118.70 3drn h GLU 139 Ca 0.14 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 3drn h GLU 139 Cb 0.42 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 3drn h GLU 139 CO 0.01 0.98 0.26 0.00 -1.16 0.00 0.00 179.01 179.10 3drn h ALA 140 N 1.08 0.94 -0.64 3.43 0.00 -1.04 -2.20 119.26 120.83 3drn h ALA 140 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3drn h ALA 140 Cb 0.52 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3drn h ALA 140 CO 0.03 0.59 0.13 -0.07 0.00 0.00 0.00 179.25 179.93 3drn h LEU 141 N 1.05 1.00 -0.81 0.00 3.38 -0.70 -0.67 115.31 118.56 3drn h LEU 141 Ca 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3drn h LEU 141 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3drn h LEU 141 CO -0.01 0.99 0.42 0.11 0.09 0.00 0.00 178.44 180.03 3drn h LYS 142 N 0.96 1.14 -0.43 1.13 1.57 -0.88 0.14 116.57 120.22 3drn h LYS 142 Ca 0.20 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 3drn h LYS 142 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3drn h LYS 142 CO 0.01 0.86 -0.05 0.00 -0.57 0.00 0.00 179.45 179.70 3drn h ALA 143 N 1.22 0.58 -0.32 3.86 0.00 -1.18 -1.51 119.26 121.92 3drn h ALA 143 Ca 0.28 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3drn h ALA 143 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3drn h ALA 143 CO -0.04 0.41 -0.07 -0.07 0.00 0.00 0.00 179.25 179.49 3drn h LEU 144 N 0.62 0.50 -0.40 0.00 3.38 -0.68 -1.14 115.31 117.58 3drn h LEU 144 Ca 0.12 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3drn h LEU 144 Cb 0.56 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3drn h LEU 144 CO 0.03 0.61 -0.17 0.11 0.09 0.00 0.00 178.44 179.12 3drn h LYS 145 N 0.49 0.82 -0.10 1.13 1.57 -0.49 0.22 116.57 120.21 3drn h LYS 145 Ca 0.10 -0.35 0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3drn h LYS 145 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3drn h LYS 145 CO 0.02 0.98 0.05 0.37 -0.57 0.00 0.00 179.45 180.29 3drn h GLN 146 N 0.63 0.10 -0.53 3.15 5.75 -0.85 -0.30 115.11 123.06 3drn h GLN 146 Ca 0.09 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3drn h GLN 146 Cb 0.72 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 3drn h GLN 146 CO 0.05 0.07 0.33 0.82 -2.65 0.00 0.00 178.83 177.45 3drn h ILE 147 N 0.10 1.16 -0.76 2.39 2.04 -1.09 -2.36 117.51 119.00 3drn h ILE 147 Ca 0.04 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3drn h ILE 147 Cb 0.01 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3drn h ILE 147 CO -0.03 0.16 0.30 0.50 0.00 0.00 0.00 178.15 179.08 3drn h LYS 148 N 0.72 1.13 0.00 2.37 3.64 -0.68 -1.89 116.57 121.87 3drn h LYS 148 Ca 0.19 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3drn h LYS 148 Cb -0.03 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3drn h LYS 148 CO -0.04 0.93 -0.07 0.93 -2.27 0.00 0.00 179.45 178.93 3drn h GLU 149 N 1.09 0.00 0.00 1.90 4.39 -0.70 0.18 114.58 121.44 3drn h GLU 149 Ca 0.25 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.81 3drn h GLU 149 Cb 0.22 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3drn h GLU 149 CO -0.02 0.07 -0.66 0.93 -1.16 0.00 0.00 179.01 178.17 3drn h GLU 150 N 0.00 0.00 0.28 2.33 5.08 -0.85 -3.21 114.58 118.21 3drn h GLU 150 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3drn h GLU 150 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3drn h GLU 150 CO 0.01 0.66 -0.14 0.93 -1.00 0.00 0.00 179.01 179.47 3drn h GLU 151 N 0.00 -0.37 -0.99 2.33 4.39 -0.47 -3.30 114.58 116.17 3drn h GLU 151 Ca -0.01 0.02 0.36 0.00 0.34 0.00 0.00 59.36 60.08 3drn h GLU 151 Cb 1.46 0.08 -0.17 0.00 -0.10 0.00 0.00 28.75 30.03 3drn h GLU 151 CO 0.09 -0.24 0.45 0.82 -1.16 0.00 0.00 179.01 178.97 3drn h ILE 152 N -1.10 0.10 0.00 3.13 2.04 -1.14 -3.51 117.51 117.02 3drn h ILE 152 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3drn h ILE 152 Cb 0.30 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3drn h ILE 152 CO 0.06 0.02 0.00 -1.54 0.00 0.00 0.00 178.15 176.69