#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1f s LYS 2 N 0.00 3.75 -0.00 0.03 1.02 -1.26 -4.48 119.74 118.80 3h1f s LYS 2 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.11 3h1f s LYS 2 Cb 0.00 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 3h1f s LYS 2 CO 0.00 -0.66 0.00 -0.51 -0.92 0.00 0.00 175.35 173.27 3h1f s LEU 3 N 2.62 3.53 -0.10 3.17 1.43 -0.14 0.53 118.68 129.71 3h1f s LEU 3 Ca 0.24 -0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3h1f s LEU 3 Cb -0.15 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3h1f s LEU 3 CO 0.13 0.28 -0.20 -0.22 0.23 0.00 0.00 176.35 176.57 3h1f s LEU 4 N -1.58 1.96 -0.18 1.79 2.96 0.15 0.12 118.68 123.90 3h1f s LEU 4 Ca 0.20 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 3h1f s LEU 4 Cb -0.12 -1.26 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 3h1f s LEU 4 CO 0.11 0.11 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.43 3h1f s VAL 5 N 0.54 2.85 -0.20 1.68 1.01 0.16 0.19 120.40 126.63 3h1f s VAL 5 Ca -0.15 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.15 3h1f s VAL 5 Cb -0.17 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.00 3h1f s VAL 5 CO 0.05 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 3h1f s VAL 6 N 1.08 2.05 -0.28 2.92 1.01 0.18 -1.07 120.40 126.28 3h1f s VAL 6 Ca -0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 3h1f s VAL 6 Cb -0.15 -1.94 0.10 0.00 0.00 0.00 0.00 36.38 34.39 3h1f s VAL 6 CO -0.03 0.38 0.79 -0.62 0.00 0.00 0.00 175.10 175.62 3h1f s ASP 7 N 1.26 -0.77 0.00 3.32 -1.08 -0.88 -1.06 116.67 117.47 3h1f s ASP 7 Ca 0.01 1.30 0.19 0.00 -0.52 0.00 0.00 52.55 53.53 3h1f s ASP 7 Cb -0.15 1.32 1.10 0.00 -1.46 0.00 0.00 42.92 43.72 3h1f s ASP 7 CO -0.11 -0.21 1.71 -0.90 0.52 0.00 0.00 175.17 176.18 3h1f n ASP 8 N 3.62 0.07 -4.45 -0.34 5.68 -1.00 -4.35 116.55 115.77 3h1f n ASP 8 Ca -0.18 -1.43 -0.40 0.00 -0.50 0.00 0.00 54.79 52.28 3h1f n ASP 8 Cb 0.58 -0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 3h1f n ASP 8 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3h1f s SER 9 N -1.58 5.80 0.25 -1.12 0.15 -1.26 -4.97 113.70 110.96 3h1f s SER 9 Ca 0.28 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.30 3h1f s SER 9 Cb 0.13 -2.07 0.29 0.00 -1.71 0.00 0.00 66.02 62.67 3h1f s SER 9 CO 0.22 -0.28 1.63 0.77 1.20 0.00 0.00 173.24 176.78 3h1f h SER 10 N 8.44 0.49 0.22 5.45 4.64 -2.00 -0.72 113.55 130.08 3h1f h SER 10 Ca -0.30 -0.21 -0.14 0.00 -0.47 0.00 0.00 61.79 60.67 3h1f h SER 10 Cb 1.14 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3h1f h SER 10 CO 0.65 0.84 -0.55 0.71 -0.87 0.00 0.00 176.83 177.60 3h1f h THR 11 N 0.39 1.35 -0.26 2.95 1.35 -1.97 -1.76 112.91 114.96 3h1f h THR 11 Ca 0.04 -1.84 -0.02 0.00 -0.55 0.00 0.00 66.41 64.04 3h1f h THR 11 Cb 0.87 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3h1f h THR 11 CO 0.07 0.55 0.08 -0.03 -0.25 0.00 0.00 175.52 175.95 3h1f h MET 12 N 0.27 0.40 -0.94 4.72 -1.53 -1.91 -1.48 114.93 114.46 3h1f h MET 12 Ca 0.00 -0.08 0.18 0.00 -3.44 0.00 0.00 59.70 56.36 3h1f h MET 12 Cb 1.05 -0.06 -0.11 0.00 -0.55 0.00 0.00 31.60 31.94 3h1f h MET 12 CO 0.09 0.47 0.53 0.00 0.14 0.00 0.00 176.91 178.13 3h1f h ARG 13 N 0.25 0.65 -0.33 0.39 3.08 -1.00 -1.04 114.38 116.38 3h1f h ARG 13 Ca 0.08 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3h1f h ARG 13 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3h1f h ARG 13 CO -0.00 0.43 0.19 -0.09 -1.07 0.00 0.00 179.97 179.42 3h1f h ARG 14 N 0.67 0.45 -0.31 0.04 2.43 -1.05 -1.66 114.38 114.95 3h1f h ARG 14 Ca 0.54 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.55 3h1f h ARG 14 Cb 0.85 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 3h1f h ARG 14 CO -0.40 0.37 -0.25 0.97 -1.51 0.00 0.00 179.97 179.15 3h1f h ILE 15 N 0.41 1.30 -0.44 1.20 2.10 -0.19 -1.30 117.51 120.59 3h1f h ILE 15 Ca 0.12 -1.40 -0.06 0.00 1.08 0.00 0.00 64.86 64.60 3h1f h ILE 15 Cb 0.04 1.51 -0.02 0.00 -1.09 0.00 0.00 36.82 37.27 3h1f h ILE 15 CO -0.02 0.45 0.05 0.40 -1.08 0.00 0.00 178.15 177.95 3h1f h ILE 16 N 0.47 1.25 -0.09 2.19 2.04 -1.22 -1.46 117.51 120.69 3h1f h ILE 16 Ca 0.06 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3h1f h ILE 16 Cb 0.81 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3h1f h ILE 16 CO 0.06 0.33 0.05 0.50 0.00 0.00 0.00 178.15 179.09 3h1f h LYS 17 N 0.60 0.13 -0.94 2.37 3.64 -1.22 0.26 116.57 121.40 3h1f h LYS 17 Ca 0.13 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3h1f h LYS 17 Cb 0.41 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 3h1f h LYS 17 CO 0.01 0.15 0.62 -0.97 -2.27 0.00 0.00 179.45 176.99 3h1f h ASN 18 N 0.07 0.99 -0.04 4.20 -0.73 -1.20 0.73 115.58 119.60 3h1f h ASN 18 Ca 0.03 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 3h1f h ASN 18 Cb 0.06 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.43 3h1f h ASN 18 CO -0.01 0.66 -0.10 0.74 -0.37 0.00 0.00 177.43 178.35 3h1f h THR 19 N 1.14 1.44 -0.40 -3.57 2.02 -0.87 -1.66 112.91 111.01 3h1f h THR 19 Ca 0.39 -1.44 0.08 0.00 0.77 0.00 0.00 66.41 66.21 3h1f h THR 19 Cb 0.10 2.29 -0.08 0.00 -1.74 0.00 0.00 68.15 68.72 3h1f h THR 19 CO -0.14 0.39 -0.13 -0.07 0.37 0.00 0.00 175.52 175.95 3h1f h LEU 20 N -0.38 -0.46 -0.72 2.58 3.38 -0.41 -1.67 115.31 117.63 3h1f h LEU 20 Ca 0.00 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.25 3h1f h LEU 20 Cb 0.69 0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 3h1f h LEU 20 CO 0.02 -0.16 0.21 -1.28 0.09 0.00 0.00 178.44 177.32 3h1f h SER 21 N -0.04 0.11 0.53 -0.43 0.87 -0.67 -0.55 113.55 113.38 3h1f h SER 21 Ca 0.20 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 3h1f h SER 21 Cb 0.34 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3h1f h SER 21 CO -0.43 0.02 -0.17 0.03 -0.53 0.00 0.00 176.83 175.75 3h1f h ARG 22 N 0.33 0.00 -0.09 2.24 3.08 -0.45 -0.07 114.38 119.42 3h1f h ARG 22 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3h1f h ARG 22 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3h1f h ARG 22 CO -0.45 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 179.89 3h1f n LEU 23 N -3.58 1.35 0.00 3.04 4.77 -0.43 -4.94 117.00 117.21 3h1f n LEU 23 Ca -0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3h1f n LEU 23 Cb 0.30 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3h1f n LEU 23 CO 0.31 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3h1f n GLY 24 N 1.11 0.81 3.23 -0.72 0.00 -0.04 -0.66 105.19 108.92 3h1f n GLY 24 Ca 0.18 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3h1f n GLY 24 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1f s TYR 25 N -2.00 3.39 -0.09 1.61 1.51 -0.35 -4.33 117.35 117.10 3h1f s TYR 25 Ca 0.00 -1.76 0.14 0.00 -1.01 0.00 0.00 57.07 54.44 3h1f s TYR 25 Cb 0.00 -2.95 -0.21 0.00 -0.11 0.00 0.00 41.96 38.69 3h1f s TYR 25 CO 0.00 -0.88 0.19 0.39 -1.11 0.00 0.00 175.55 174.15 3h1f n GLU 26 N 4.82 1.07 -3.06 -0.62 -0.58 -1.26 -2.92 120.64 118.09 3h1f n GLU 26 Ca -0.09 -0.07 -0.44 0.00 -0.42 0.00 0.00 57.16 56.14 3h1f n GLU 26 Cb 0.43 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 3h1f n GLU 26 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3h1f n ASP 27 N -2.31 5.41 -4.27 1.62 -0.08 -1.26 -4.94 116.55 110.71 3h1f n ASP 27 Ca -0.14 -3.04 -0.35 0.00 -1.51 0.00 0.00 54.79 49.75 3h1f n ASP 27 Cb 0.71 -1.47 -0.14 0.00 2.34 0.00 0.00 41.12 42.56 3h1f n ASP 27 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3h1f s VAL 28 N 0.11 3.20 -0.02 5.18 1.01 -1.26 -0.97 120.40 127.65 3h1f s VAL 28 Ca 0.37 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 3h1f s VAL 28 Cb -0.04 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3h1f s VAL 28 CO -0.02 0.37 0.29 -0.22 0.00 0.00 0.00 175.10 175.52 3h1f s LEU 29 N 1.44 4.40 0.20 3.92 2.96 0.12 -4.97 118.68 126.75 3h1f s LEU 29 Ca 0.05 0.69 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 3h1f s LEU 29 Cb -0.15 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 3h1f s LEU 29 CO -0.04 0.31 0.09 -1.61 -1.32 0.00 0.00 176.35 173.77 3h1f s GLU 30 N -1.38 2.66 0.13 1.98 2.02 -1.26 0.40 118.70 123.23 3h1f s GLU 30 Ca 0.24 -1.07 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 3h1f s GLU 30 Cb -0.14 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 3h1f s GLU 30 CO 0.12 0.44 0.16 0.00 0.02 0.00 0.00 175.26 176.01 3h1f s ALA 31 N -1.91 0.26 -0.09 5.21 0.00 -0.24 -4.89 121.76 120.11 3h1f s ALA 31 Ca 0.30 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 51.29 3h1f s ALA 31 Cb -0.09 0.72 -0.10 0.00 0.00 0.00 0.00 23.12 23.65 3h1f s ALA 31 CO 0.22 -0.54 0.00 0.39 0.00 0.00 0.00 175.76 175.83 3h1f n GLU 32 N -0.11 2.11 -4.14 0.00 1.02 -1.26 -2.06 120.64 116.19 3h1f n GLU 32 Ca -0.09 0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 3h1f n GLU 32 Cb 0.63 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.72 3h1f n GLU 32 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3h1f s HIS 33 N -2.21 0.77 0.43 -0.32 3.76 -1.26 -2.39 115.29 114.07 3h1f s HIS 33 Ca -0.06 -1.08 0.14 0.00 -0.15 0.00 0.00 55.06 53.91 3h1f s HIS 33 Cb 0.03 -0.48 1.02 0.00 1.11 0.00 0.00 32.58 34.26 3h1f s HIS 33 CO 0.34 -0.35 1.96 0.78 -0.85 0.00 0.00 174.74 176.62 3h1f h GLY 34 N 2.98 0.63 0.88 -2.22 0.00 -1.01 -1.61 103.07 102.72 3h1f h GLY 34 Ca -0.35 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3h1f h GLY 34 CO 0.63 0.09 0.00 -2.08 0.00 0.00 0.00 176.54 175.19 3h1f h VAL 35 N 0.43 1.26 -0.21 4.60 2.07 -0.80 0.21 116.25 123.80 3h1f h VAL 35 Ca 0.31 -0.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 3h1f h VAL 35 Cb 0.63 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3h1f h VAL 35 CO -0.09 0.30 -0.46 -0.08 0.02 0.00 0.00 177.57 177.26 3h1f h GLU 36 N 0.30 0.54 -0.07 1.57 4.81 -1.80 -0.27 114.58 119.67 3h1f h GLU 36 Ca 0.08 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3h1f h GLU 36 Cb 0.43 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3h1f h GLU 36 CO 0.01 0.89 0.03 0.00 -0.73 0.00 0.00 179.01 179.21 3h1f h ALA 37 N 1.06 0.09 -0.67 2.92 0.00 -1.06 -0.78 119.26 120.81 3h1f h ALA 37 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h1f h ALA 37 Cb 0.97 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3h1f h ALA 37 CO 0.09 -0.34 0.44 2.35 0.00 0.00 0.00 179.25 181.79 3h1f h TRP 38 N -0.04 0.85 -0.57 0.00 2.91 -0.37 0.82 115.95 119.55 3h1f h TRP 38 Ca 0.02 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.03 3h1f h TRP 38 Cb 0.15 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 28.48 3h1f h TRP 38 CO -0.02 0.54 0.25 1.49 -1.03 0.00 0.00 178.44 179.67 3h1f h GLU 39 N 0.91 0.81 -0.10 2.65 4.22 -0.89 0.37 114.58 122.54 3h1f h GLU 39 Ca 0.25 -0.11 -0.03 0.00 0.08 0.00 0.00 59.36 59.54 3h1f h GLU 39 Cb -0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3h1f h GLU 39 CO -0.05 0.65 -0.07 0.87 -2.18 0.00 0.00 179.01 178.23 3h1f h LYS 40 N 0.80 0.23 -0.39 1.92 1.57 -0.45 -0.75 116.57 119.50 3h1f h LYS 40 Ca 0.20 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3h1f h LYS 40 Cb 0.12 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3h1f h LYS 40 CO -0.02 0.61 0.03 -0.07 -0.57 0.00 0.00 179.45 179.42 3h1f h LEU 41 N -0.15 -0.10 -0.96 2.94 3.38 -0.59 0.27 115.31 120.10 3h1f h LEU 41 Ca 0.02 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3h1f h LEU 41 Cb 0.55 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3h1f h LEU 41 CO 0.02 -0.02 0.36 -0.78 0.09 0.00 0.00 178.44 178.11 3h1f h ASP 42 N 0.14 1.00 1.47 -0.43 3.58 -0.09 -2.90 116.42 119.20 3h1f h ASP 42 Ca 0.19 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3h1f h ASP 42 Cb 0.25 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3h1f h ASP 42 CO -0.29 0.86 -0.50 0.00 -2.88 0.00 0.00 179.24 176.42 3h1f h ALA 43 N 1.30 0.75 -2.34 -0.78 0.00 -0.90 -3.39 119.26 113.90 3h1f h ALA 43 Ca 0.26 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.59 3h1f h ALA 43 Cb 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.52 3h1f h ALA 43 CO -0.03 0.00 -0.90 0.09 0.00 0.00 0.00 179.25 178.41 3h1f n ASN 44 N -2.85 0.95 0.10 0.00 3.02 0.06 -4.94 115.26 111.61 3h1f n ASN 44 Ca 0.02 -2.78 0.13 0.00 -0.03 0.00 0.00 54.58 51.92 3h1f n ASN 44 Cb 0.53 -0.63 0.44 0.00 -0.61 0.00 0.00 39.78 39.51 3h1f n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1f n ALA 45 N 1.92 2.12 0.69 5.41 0.00 -1.17 -2.13 120.51 127.35 3h1f n ALA 45 Ca 0.25 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.76 3h1f n ALA 45 Cb 0.46 -1.44 0.36 0.00 0.00 0.00 0.00 19.45 18.83 3h1f n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h1f n ASP 46 N -2.17 0.00 -4.71 0.00 5.75 -1.26 -4.83 116.55 109.32 3h1f n ASP 46 Ca 0.05 0.05 -0.42 0.00 -0.01 0.00 0.00 54.79 54.46 3h1f n ASP 46 Cb 0.37 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3h1f n ASP 46 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3h1f n THR 47 N -1.26 2.17 -0.08 2.12 -1.04 -0.91 -4.70 114.28 110.58 3h1f n THR 47 Ca 0.07 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.49 3h1f n THR 47 Cb 0.11 -1.65 -0.10 0.00 -1.82 0.00 0.00 70.33 66.87 3h1f n THR 47 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3h1f n LYS 48 N 0.38 1.16 -3.72 -2.82 4.76 0.19 -4.97 118.16 113.13 3h1f n LYS 48 Ca 0.05 0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.35 3h1f n LYS 48 Cb 0.38 -1.36 -0.17 0.00 -1.84 0.00 0.00 35.03 32.03 3h1f n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3h1f s VAL 49 N -2.35 -0.07 -0.20 -0.18 1.01 -0.93 -3.91 120.40 113.77 3h1f s VAL 49 Ca -0.14 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 3h1f s VAL 49 Cb 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.25 3h1f s VAL 49 CO 0.51 0.14 0.16 -0.22 0.00 0.00 0.00 175.10 175.70 3h1f s LEU 50 N 1.67 4.20 -0.19 3.92 2.96 -0.60 -0.67 118.68 129.97 3h1f s LEU 50 Ca -0.01 0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3h1f s LEU 50 Cb -0.12 -2.14 0.01 0.00 0.50 0.00 0.00 46.19 44.43 3h1f s LEU 50 CO -0.03 0.14 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.35 3h1f s ILE 51 N 0.50 2.40 0.01 6.68 1.01 0.13 -1.77 121.20 130.17 3h1f s ILE 51 Ca 0.09 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3h1f s ILE 51 Cb -0.12 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 3h1f s ILE 51 CO 0.00 0.51 -0.06 0.28 0.00 0.00 0.00 174.94 175.67 3h1f s THR 52 N 1.29 0.46 0.35 2.92 -1.32 0.10 0.49 115.64 119.93 3h1f s THR 52 Ca 0.04 -0.54 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 3h1f s THR 52 Cb -0.13 -0.45 0.08 0.00 -1.51 0.00 0.00 72.50 70.49 3h1f s THR 52 CO -0.10 -0.06 0.40 0.00 -2.21 0.00 0.00 174.62 172.65 3h1f n ALA 53 N 2.41 -0.73 0.02 11.08 0.00 -0.22 -0.50 120.51 132.56 3h1f n ALA 53 Ca -0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 53.44 52.71 3h1f n ALA 53 Cb 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 3h1f n ALA 53 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3h1f n TRP 54 N -2.85 0.00 -2.41 0.00 -0.00 -1.26 -3.81 117.44 107.11 3h1f n TRP 54 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.12 3h1f n TRP 54 Cb 0.19 -0.11 -0.02 0.00 -0.00 0.00 0.00 31.31 31.37 3h1f n TRP 54 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3h1f s ASN 55 N -5.87 6.57 -0.21 5.87 0.01 -1.26 0.38 114.94 120.44 3h1f s ASN 55 Ca -0.06 1.07 -0.28 0.00 -0.71 0.00 0.00 52.86 52.89 3h1f s ASN 55 Cb 0.01 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.25 3h1f s ASN 55 CO 0.09 -1.19 0.99 0.00 -1.51 0.00 0.00 177.10 175.48 3h1f s MET 56 N 4.40 0.59 1.00 -0.60 0.23 -1.26 -4.75 119.30 118.90 3h1f s MET 56 Ca 0.57 0.39 -0.12 0.00 -1.03 0.00 0.00 55.69 55.50 3h1f s MET 56 Cb -0.15 0.28 0.19 0.00 -1.53 0.00 0.00 34.83 33.62 3h1f s MET 56 CO 0.26 -0.13 1.08 -2.14 -2.03 0.00 0.00 175.02 172.06 3h1f s PRO 57 N -0.44 0.37 -1.34 3.16 0.02 -1.26 -3.29 135.00 132.21 3h1f s PRO 57 Ca 0.00 0.82 -0.07 0.00 0.02 0.00 0.00 61.00 61.77 3h1f s PRO 57 Cb -0.03 -1.71 0.02 0.00 0.02 0.00 0.00 34.50 32.81 3h1f s PRO 57 CO -0.02 -2.85 1.06 0.39 -0.33 0.00 0.00 177.00 175.26 3h1f n GLU 58 N -4.30 -6.94 -0.12 5.54 1.02 -1.26 -4.02 120.64 110.55 3h1f n GLU 58 Ca 0.06 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3h1f n GLU 58 Cb 0.55 -5.75 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 3h1f n GLU 58 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3h1f n MET 59 N -4.67 0.00 -1.05 3.49 0.00 -1.26 -0.18 117.12 113.45 3h1f n MET 59 Ca -0.09 0.08 -0.29 0.00 -0.00 0.00 0.00 57.70 57.40 3h1f n MET 59 Cb 0.59 -0.04 0.18 0.00 0.00 0.00 0.00 33.22 33.95 3h1f n MET 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3h1f s ASN 60 N 0.00 2.49 0.30 6.12 2.20 -1.21 -1.82 114.94 123.03 3h1f s ASN 60 Ca 0.00 1.33 0.13 0.00 -0.94 0.00 0.00 52.86 53.39 3h1f s ASN 60 Cb 0.00 -2.02 0.43 0.00 -2.00 0.00 0.00 41.25 37.67 3h1f s ASN 60 CO 0.00 -3.23 1.63 1.23 -2.94 0.00 0.00 177.10 173.79 3h1f h GLY 61 N -1.96 0.00 0.54 0.45 0.00 -0.17 0.10 103.07 102.02 3h1f h GLY 61 Ca -0.54 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.81 3h1f h GLY 61 CO 0.55 0.00 -0.22 -2.00 0.00 0.00 0.00 176.54 174.88 3h1f h LEU 62 N 0.00 -0.63 -0.61 3.11 5.85 -1.81 0.30 115.31 121.53 3h1f h LEU 62 Ca -0.01 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3h1f h LEU 62 Cb 1.07 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3h1f h LEU 62 CO 0.07 -0.29 -0.16 0.44 -0.34 0.00 0.00 178.44 178.17 3h1f h ASP 63 N -0.36 0.95 -0.48 1.25 3.32 -1.90 -1.02 116.42 118.17 3h1f h ASP 63 Ca 0.05 -0.33 0.09 0.00 0.02 0.00 0.00 57.03 56.87 3h1f h ASP 63 Cb 0.42 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.64 3h1f h ASP 63 CO -0.17 1.09 -0.01 0.25 -1.72 0.00 0.00 179.24 178.68 3h1f h LEU 64 N 0.83 -0.22 0.03 1.55 5.85 -0.78 -0.38 115.31 122.19 3h1f h LEU 64 Ca 0.12 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3h1f h LEU 64 Cb 0.70 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3h1f h LEU 64 CO 0.05 -0.07 -0.01 0.58 -0.34 0.00 0.00 178.44 178.65 3h1f h VAL 65 N 0.11 1.14 -0.95 1.05 2.07 0.11 -0.68 116.25 119.10 3h1f h VAL 65 Ca 0.24 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.35 3h1f h VAL 65 Cb 0.36 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 3h1f h VAL 65 CO -0.41 0.14 0.58 0.11 0.02 0.00 0.00 177.57 178.01 3h1f h LYS 66 N -0.27 0.87 -0.62 1.57 1.57 -1.06 -0.44 116.57 118.19 3h1f h LYS 66 Ca -0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3h1f h LYS 66 Cb 0.25 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3h1f h LYS 66 CO 0.01 0.58 0.01 -0.22 -0.57 0.00 0.00 179.45 179.25 3h1f h LYS 67 N 0.90 1.08 0.21 3.15 1.63 -0.80 -2.20 116.57 120.53 3h1f h LYS 67 Ca 0.48 -0.34 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3h1f h LYS 67 Cb 0.52 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3h1f h LYS 67 CO -0.28 1.05 -0.10 0.28 -3.45 0.00 0.00 179.45 176.95 3h1f h VAL 68 N 0.99 0.84 -0.60 2.00 2.07 -0.39 -2.88 116.25 118.27 3h1f h VAL 68 Ca 0.18 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.60 3h1f h VAL 68 Cb 0.56 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3h1f h VAL 68 CO 0.03 0.05 0.41 0.03 0.02 0.00 0.00 177.57 178.11 3h1f h ARG 69 N -0.38 0.28 0.00 1.57 2.47 -1.07 -2.02 114.38 115.23 3h1f h ARG 69 Ca -0.03 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3h1f h ARG 69 Cb 0.29 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3h1f h ARG 69 CO 0.05 0.19 0.00 0.77 0.56 0.00 0.00 179.97 181.53 3h1f h SER 70 N 0.29 0.00 -3.40 7.04 0.02 -1.36 -3.41 113.55 112.73 3h1f h SER 70 Ca 0.28 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.69 3h1f h SER 70 Cb 0.72 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.23 3h1f h SER 70 CO -0.07 0.00 0.23 -0.62 -1.14 0.00 0.00 176.83 175.24 3h1f s ASP 71 N -5.39 7.20 0.64 3.07 -1.08 -0.76 -4.93 116.67 115.42 3h1f s ASP 71 Ca 0.07 1.45 0.32 0.00 -0.52 0.00 0.00 52.55 53.87 3h1f s ASP 71 Cb 0.08 -2.50 1.73 0.00 -1.46 0.00 0.00 42.92 40.78 3h1f s ASP 71 CO 0.59 -0.17 2.02 -1.28 0.52 0.00 0.00 175.17 176.86 3h1f h SER 72 N 6.62 0.00 -0.35 -0.34 0.87 -1.86 -2.36 113.55 116.12 3h1f h SER 72 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3h1f h SER 72 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3h1f h SER 72 CO 0.75 0.00 0.00 -2.11 -0.53 0.00 0.00 176.83 174.94 3h1f n ARG 73 N -3.21 2.43 -0.74 2.24 1.85 -1.26 -4.52 116.66 113.46 3h1f n ARG 73 Ca 0.00 -2.16 0.05 0.00 -1.00 0.00 0.00 57.85 54.74 3h1f n ARG 73 Cb 0.37 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.37 3h1f n ARG 73 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3h1f n PHE 74 N 1.38 0.00 0.01 2.89 3.72 -0.89 -4.85 117.46 119.72 3h1f n PHE 74 Ca 0.19 -0.81 -0.07 0.00 -0.05 0.00 0.00 57.45 56.71 3h1f n PHE 74 Cb 0.58 -0.16 0.11 0.00 -0.94 0.00 0.00 39.48 39.07 3h1f n PHE 74 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3h1f h LYS 75 N 0.60 0.51 -0.02 -1.08 1.79 -1.78 -3.24 116.57 113.35 3h1f h LYS 75 Ca -0.07 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3h1f h LYS 75 Cb 1.34 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 3h1f h LYS 75 CO 0.03 0.86 -0.30 0.39 -1.08 0.00 0.00 179.45 179.34 3h1f n GLU 76 N -4.00 1.61 -1.68 3.15 -0.58 -1.26 -4.97 120.64 112.91 3h1f n GLU 76 Ca -0.02 -1.32 -0.48 0.00 -0.42 0.00 0.00 57.16 54.92 3h1f n GLU 76 Cb 0.54 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.90 3h1f n GLU 76 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 3h1f n ILE 77 N 0.46 0.39 -1.71 -3.67 3.06 -1.22 -4.89 119.36 111.79 3h1f n ILE 77 Ca 0.11 -0.07 -0.43 0.00 -2.50 0.00 0.00 62.75 59.86 3h1f n ILE 77 Cb 0.51 -1.74 -0.03 0.00 0.54 0.00 0.00 39.64 38.92 3h1f n ILE 77 CO 0.00 0.00 0.00 -2.65 -2.50 0.00 0.00 176.55 171.40 3h1f n PRO 78 N 5.59 2.66 -4.07 9.51 -0.02 -1.25 -4.89 135.00 142.53 3h1f n PRO 78 Ca 0.21 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 62.33 3h1f n PRO 78 Cb 0.29 -2.79 -0.16 0.00 -0.02 0.00 0.00 33.50 30.81 3h1f n PRO 78 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h1f s ILE 79 N 1.20 1.89 -0.26 4.25 1.01 -1.26 -1.55 121.20 126.48 3h1f s ILE 79 Ca 0.76 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 3h1f s ILE 79 Cb -0.54 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3h1f s ILE 79 CO 0.34 0.36 0.06 -0.63 0.00 0.00 0.00 174.94 175.07 3h1f s ILE 80 N 1.32 4.14 -0.18 2.92 1.01 -0.73 0.09 121.20 129.79 3h1f s ILE 80 Ca 0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3h1f s ILE 80 Cb -0.15 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3h1f s ILE 80 CO -0.10 0.28 0.40 -0.32 0.00 0.00 0.00 174.94 175.19 3h1f s MET 81 N 1.58 4.22 -0.27 2.79 1.75 -0.25 -0.72 119.30 128.39 3h1f s MET 81 Ca 0.05 0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.75 3h1f s MET 81 Cb -0.16 -3.50 0.06 0.00 2.84 0.00 0.00 34.83 34.08 3h1f s MET 81 CO 0.03 0.05 -0.07 0.42 -0.65 0.00 0.00 175.02 174.79 3h1f s ILE 82 N 1.03 2.42 0.02 10.11 1.01 0.34 -1.30 121.20 134.85 3h1f s ILE 82 Ca 0.20 -1.57 -0.10 0.00 0.00 0.00 0.00 60.65 59.18 3h1f s ILE 82 Cb -0.14 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.91 3h1f s ILE 82 CO 0.08 -0.06 0.20 0.28 0.00 0.00 0.00 174.94 175.43 3h1f s THR 83 N 1.14 0.10 -0.67 2.92 -1.32 -0.85 -3.73 115.64 113.24 3h1f s THR 83 Ca -0.07 -0.79 0.23 0.00 -1.21 0.00 0.00 61.69 59.85 3h1f s THR 83 Cb -0.20 -0.76 0.24 0.00 -1.51 0.00 0.00 72.50 70.27 3h1f s THR 83 CO -0.04 -0.44 1.71 0.35 -2.21 0.00 0.00 174.62 174.00 3h1f n THR 84 N 0.95 0.72 -1.83 5.08 -2.24 -1.26 0.36 114.28 116.04 3h1f n THR 84 Ca -0.20 0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 3h1f n THR 84 Cb 0.58 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 3h1f n THR 84 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h1f s GLU 85 N -3.18 1.81 0.14 -0.78 0.41 -1.26 -4.71 118.70 111.12 3h1f s GLU 85 Ca 0.07 -0.81 0.26 0.00 -0.41 0.00 0.00 54.97 54.09 3h1f s GLU 85 Cb 0.11 -5.11 0.94 0.00 -1.78 0.00 0.00 34.13 28.29 3h1f s GLU 85 CO 0.44 -4.79 1.81 0.41 -0.49 0.00 0.00 175.26 172.64 3h1f n GLY 86 N 5.96 -1.59 3.77 -1.39 0.00 -1.26 -4.66 105.19 106.02 3h1f n GLY 86 Ca 0.43 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 3h1f n GLY 86 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1f s GLY 87 N -3.39 2.74 0.30 -0.02 0.00 -1.26 -4.88 107.32 100.81 3h1f s GLY 87 Ca 0.11 0.88 0.08 0.00 0.00 0.00 0.00 44.72 45.79 3h1f s GLY 87 CO 0.55 1.31 1.69 0.50 0.00 0.00 0.00 173.10 177.15 3h1f h LYS 88 N 1.92 0.15 -0.93 2.90 1.79 -1.99 -1.91 116.57 118.51 3h1f h LYS 88 Ca -0.49 -0.08 0.17 0.00 -2.18 0.00 0.00 60.65 58.06 3h1f h LYS 88 Cb 1.25 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.80 3h1f h LYS 88 CO 0.60 0.59 0.52 0.00 -1.08 0.00 0.00 179.45 180.08 3h1f h ALA 89 N 1.40 1.47 0.05 3.86 0.00 -1.98 0.90 119.26 124.95 3h1f h ALA 89 Ca 0.01 0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 3h1f h ALA 89 Cb 0.87 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.63 3h1f h ALA 89 CO 0.07 -0.07 -1.09 0.93 0.00 0.00 0.00 179.25 179.09 3h1f h GLU 90 N 0.69 0.52 0.33 0.00 3.07 -1.75 0.20 114.58 117.64 3h1f h GLU 90 Ca 0.52 -0.63 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 3h1f h GLU 90 Cb 0.78 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 3h1f h GLU 90 CO -0.38 1.25 -0.16 0.28 -1.40 0.00 0.00 179.01 178.59 3h1f h VAL 91 N 0.26 0.66 -0.38 3.13 2.07 -0.40 -1.45 116.25 120.14 3h1f h VAL 91 Ca -0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.46 3h1f h VAL 91 Cb 1.75 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 3h1f h VAL 91 CO 0.20 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 178.17 3h1f h ILE 92 N -0.45 0.69 -0.75 4.57 2.04 0.84 -1.48 117.51 122.96 3h1f h ILE 92 Ca -0.04 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.94 3h1f h ILE 92 Cb 0.35 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 36.94 3h1f h ILE 92 CO 0.07 0.01 0.28 0.74 0.00 0.00 0.00 178.15 179.25 3h1f h THR 93 N 0.08 0.62 -0.06 -0.27 2.02 -0.30 -1.65 112.91 113.35 3h1f h THR 93 Ca 0.19 -0.14 -0.23 0.00 0.77 0.00 0.00 66.41 66.99 3h1f h THR 93 Cb 0.27 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3h1f h THR 93 CO -0.33 0.07 -0.90 0.00 0.37 0.00 0.00 175.52 174.73 3h1f h ALA 94 N 1.57 0.30 -0.63 6.16 0.00 -0.82 -2.90 119.26 122.93 3h1f h ALA 94 Ca 0.42 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3h1f h ALA 94 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3h1f h ALA 94 CO -0.43 0.72 0.11 -0.07 0.00 0.00 0.00 179.25 179.58 3h1f h LEU 95 N 0.39 0.98 -1.32 0.00 3.38 -1.03 0.11 115.31 117.82 3h1f h LEU 95 Ca -0.08 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.73 3h1f h LEU 95 Cb 1.53 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 3h1f h LEU 95 CO 0.17 0.97 0.51 0.11 0.09 0.00 0.00 178.44 180.29 3h1f h LYS 96 N 0.97 0.79 0.00 1.13 1.57 -1.31 -2.17 116.57 117.55 3h1f h LYS 96 Ca 0.20 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3h1f h LYS 96 Cb 0.41 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3h1f h LYS 96 CO 0.01 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 3h1f h ALA 97 N 1.58 1.00 0.00 3.86 0.00 -1.26 -3.47 119.26 120.98 3h1f h ALA 97 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3h1f h ALA 97 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3h1f h ALA 97 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 3h1f n GLY 98 N 1.11 0.86 3.72 0.00 0.00 -0.81 -4.28 105.19 105.78 3h1f n GLY 98 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3h1f n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1f s VAL 99 N -1.65 2.91 -0.19 1.61 1.01 -0.01 -4.65 120.40 119.42 3h1f s VAL 99 Ca 0.00 0.66 0.18 0.00 0.00 0.00 0.00 61.98 62.83 3h1f s VAL 99 Cb 0.00 -3.42 -0.26 0.00 0.00 0.00 0.00 36.38 32.70 3h1f s VAL 99 CO 0.00 0.06 0.10 0.59 0.00 0.00 0.00 175.10 175.85 3h1f n ASN 100 N 3.76 0.01 -3.89 3.32 3.02 0.11 -4.38 115.26 117.22 3h1f n ASN 100 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 3h1f n ASN 100 Cb 0.40 1.05 -0.14 0.00 -0.61 0.00 0.00 39.78 40.48 3h1f n ASN 100 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3h1f s ASN 101 N -5.44 0.14 -0.13 6.41 0.01 -0.85 -5.02 114.94 110.07 3h1f s ASN 101 Ca -0.10 -0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 3h1f s ASN 101 Cb 0.06 -0.01 0.02 0.00 0.41 0.00 0.00 41.25 41.73 3h1f s ASN 101 CO 0.83 0.01 -0.14 -0.47 -1.51 0.00 0.00 177.10 175.82 3h1f s TYR 102 N -0.06 2.04 -0.12 2.20 5.04 -1.26 -1.09 117.35 124.10 3h1f s TYR 102 Ca 0.00 -1.05 0.01 0.00 -2.44 0.00 0.00 57.07 53.59 3h1f s TYR 102 Cb -0.01 -1.49 -0.01 0.00 0.35 0.00 0.00 41.96 40.80 3h1f s TYR 102 CO -0.00 -0.57 -0.16 0.42 -1.34 0.00 0.00 175.55 173.90 3h1f s ILE 103 N 1.27 2.83 -0.22 3.14 1.01 -0.42 -5.02 121.20 123.79 3h1f s ILE 103 Ca -0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 3h1f s ILE 103 Cb -0.14 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 3h1f s ILE 103 CO -0.06 0.54 0.12 -0.69 0.00 0.00 0.00 174.94 174.85 3h1f s VAL 104 N 0.29 5.11 0.51 2.92 1.01 -1.26 -2.00 120.40 126.97 3h1f s VAL 104 Ca -0.12 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 3h1f s VAL 104 Cb -0.16 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 3h1f s VAL 104 CO 0.06 0.38 1.03 -0.54 0.00 0.00 0.00 175.10 176.04 3h1f s LYS 105 N 0.88 3.72 0.55 2.72 1.02 0.16 -4.59 119.74 124.21 3h1f s LYS 105 Ca 0.06 1.28 0.02 0.00 0.02 0.00 0.00 55.97 57.36 3h1f s LYS 105 Cb -0.13 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3h1f s LYS 105 CO 0.03 -0.49 0.77 -1.25 -0.92 0.00 0.00 175.35 173.49 3h1f s PRO 106 N -3.49 2.48 -0.02 -1.68 0.04 -1.26 -4.56 135.00 126.52 3h1f s PRO 106 Ca 0.66 -0.90 -0.10 0.00 0.04 0.00 0.00 61.00 60.70 3h1f s PRO 106 Cb -0.15 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.89 3h1f s PRO 106 CO 0.24 -0.74 0.20 -0.59 0.04 0.00 0.00 177.00 176.15 3h1f s PHE 107 N -2.75 -0.07 0.77 0.56 -0.12 -1.26 -5.10 117.98 110.02 3h1f s PHE 107 Ca 0.58 0.09 -0.13 0.00 -0.05 0.00 0.00 56.93 57.42 3h1f s PHE 107 Cb -0.10 0.01 0.06 0.00 -0.63 0.00 0.00 43.02 42.37 3h1f s PHE 107 CO 0.38 -0.29 1.16 0.95 -0.05 0.00 0.00 175.22 177.37 3h1f s THR 108 N -1.14 2.59 0.32 -4.49 -4.23 -1.26 -4.88 115.64 102.55 3h1f s THR 108 Ca -0.12 0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.70 3h1f s THR 108 Cb -0.06 -2.66 0.31 0.00 1.34 0.00 0.00 72.50 71.43 3h1f s THR 108 CO 0.02 -0.20 1.81 -0.65 -0.54 0.00 0.00 174.62 175.07 3h1f h PRO 109 N -0.75 0.76 -0.04 3.99 0.11 -2.00 -1.01 132.00 133.06 3h1f h PRO 109 Ca -0.46 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 3h1f h PRO 109 Cb 1.27 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3h1f h PRO 109 CO 0.49 0.50 -0.71 0.37 -0.21 0.00 0.00 178.00 178.44 3h1f h GLN 110 N 0.78 0.22 -0.46 1.05 5.75 -2.00 -2.39 115.11 118.07 3h1f h GLN 110 Ca 0.53 -0.19 -0.14 0.00 -0.15 0.00 0.00 58.65 58.70 3h1f h GLN 110 Cb 0.80 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 3h1f h GLN 110 CO -0.30 0.84 -0.27 0.28 -2.65 0.00 0.00 178.83 176.73 3h1f h VAL 111 N 0.15 1.27 -0.72 2.39 2.07 -1.77 -2.77 116.25 116.87 3h1f h VAL 111 Ca -0.02 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 3h1f h VAL 111 Cb 1.27 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3h1f h VAL 111 CO 0.11 0.49 0.31 0.25 0.02 0.00 0.00 177.57 178.75 3h1f h LEU 112 N 0.84 0.96 0.22 2.57 5.85 -1.08 -1.38 115.31 123.28 3h1f h LEU 112 Ca 0.10 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3h1f h LEU 112 Cb 0.86 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3h1f h LEU 112 CO 0.08 0.84 -0.10 0.50 -0.34 0.00 0.00 178.44 179.41 3h1f h LYS 113 N 1.04 -0.28 -0.14 1.25 3.64 -1.42 0.37 116.57 121.03 3h1f h LYS 113 Ca 0.25 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 3h1f h LYS 113 Cb 0.16 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 3h1f h LYS 113 CO -0.03 -0.16 -0.24 0.93 -2.27 0.00 0.00 179.45 177.69 3h1f h GLU 114 N -0.33 -0.29 -0.51 1.90 5.08 -1.39 -1.32 114.58 117.72 3h1f h GLU 114 Ca -0.03 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3h1f h GLU 114 Cb 0.25 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3h1f h GLU 114 CO 0.05 -0.19 0.20 0.87 -1.00 0.00 0.00 179.01 178.93 3h1f h LYS 115 N -0.30 0.74 0.02 2.33 1.57 -1.19 -0.94 116.57 118.80 3h1f h LYS 115 Ca 0.10 -0.11 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 3h1f h LYS 115 Cb 0.45 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3h1f h LYS 115 CO -0.31 0.62 -0.99 -0.07 -0.57 0.00 0.00 179.45 178.13 3h1f h LEU 116 N 0.74 0.56 -0.42 2.94 3.38 -0.87 -3.09 115.31 118.54 3h1f h LEU 116 Ca 0.18 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.75 3h1f h LEU 116 Cb 0.16 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3h1f h LEU 116 CO -0.02 1.27 0.08 -0.08 0.09 0.00 0.00 178.44 179.79 3h1f h GLU 117 N 0.23 0.20 -0.70 1.13 4.81 -1.09 0.54 114.58 119.70 3h1f h GLU 117 Ca -0.09 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.28 3h1f h GLU 117 Cb 1.64 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.86 3h1f h GLU 117 CO 0.17 0.13 0.12 0.28 -0.73 0.00 0.00 179.01 178.99 3h1f h VAL 118 N 0.21 0.50 0.21 0.32 2.07 -1.11 0.27 116.25 118.73 3h1f h VAL 118 Ca 0.21 -0.07 -0.32 0.00 0.82 0.00 0.00 66.70 67.33 3h1f h VAL 118 Cb 0.26 0.26 0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3h1f h VAL 118 CO -0.27 0.04 -1.43 0.58 0.02 0.00 0.00 177.57 176.50 3h1f h VAL 119 N 0.22 1.33 0.00 2.57 2.07 -1.32 -3.40 116.25 117.71 3h1f h VAL 119 Ca 0.39 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 65.11 3h1f h VAL 119 Cb 0.66 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 3h1f h VAL 119 CO -0.52 0.84 -0.50 0.18 0.02 0.00 0.00 177.57 177.58 3h1f n LEU 120 N -3.65 0.02 0.00 2.57 4.77 0.18 -5.11 117.00 115.78 3h1f n LEU 120 Ca -0.15 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3h1f n LEU 120 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3h1f n LEU 120 CO 0.58 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3h1f n GLY 121 N 1.68 0.98 3.79 -0.72 0.00 0.96 -4.76 105.19 107.12 3h1f n GLY 121 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 3h1f n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1f s THR 122 N 0.00 3.66 0.00 2.61 -4.23 -1.26 -4.55 115.64 111.86 3h1f s THR 122 Ca 0.00 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3h1f s THR 122 Cb 0.00 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.69 3h1f s THR 122 CO 0.00 -0.25 0.22 -3.20 -0.54 0.00 0.00 174.62 170.84