#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9n n GLY 4 N 0.00 3.80 2.73 3.14 0.00 -1.26 -4.90 105.19 108.70 1f9n n GLY 4 Ca 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.71 1f9n n GLY 4 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1f9n n GLN 5 N 1.44 0.87 0.15 1.61 -0.06 -1.26 -4.91 117.38 115.23 1f9n n GLN 5 Ca 0.26 -1.78 0.12 0.00 -2.00 0.00 0.00 57.00 53.60 1f9n n GLN 5 Cb 0.44 -1.15 0.24 0.00 -4.06 0.00 0.00 30.24 25.71 1f9n n GLN 5 CO 0.00 0.00 0.00 0.07 -0.20 0.00 0.00 177.06 176.93 1f9n h ARG 6 N 3.37 0.00 -0.82 3.69 0.11 -1.98 -3.26 114.38 115.48 1f9n h ARG 6 Ca -0.13 0.00 0.20 0.00 0.10 0.00 0.00 59.98 60.15 1f9n h ARG 6 Cb 1.08 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.02 1f9n h ARG 6 CO 0.20 0.00 0.10 0.45 0.10 0.00 0.00 179.97 180.81 1f9n h HIS 7 N 0.00 0.11 -0.29 4.08 3.86 -1.99 2.52 115.15 123.43 1f9n h HIS 7 Ca 0.00 0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1f9n h HIS 7 Cb 0.88 0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.42 1f9n h HIS 7 CO 0.00 -0.24 -0.09 0.82 0.86 0.00 0.00 177.93 179.28 1f9n h ILE 8 N 0.14 1.29 -0.96 2.45 2.04 -1.98 -2.39 117.51 118.09 1f9n h ILE 8 Ca 0.48 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1f9n h ILE 8 Cb 0.90 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 1f9n h ILE 8 CO -0.68 0.37 0.62 0.11 0.00 0.00 0.00 178.15 178.58 1f9n h LYS 9 N 0.34 1.08 -0.31 2.37 1.57 0.26 -1.73 116.57 120.16 1f9n h LYS 9 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1f9n h LYS 9 Cb 0.59 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1f9n h LYS 9 CO 0.03 0.72 0.16 0.82 -0.57 0.00 0.00 179.45 180.61 1f9n h ILE 10 N 1.12 1.14 -0.05 1.86 2.04 0.41 0.60 117.51 124.63 1f9n h ILE 10 Ca 0.41 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1f9n h ILE 10 Cb 0.17 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1f9n h ILE 10 CO -0.16 0.15 0.08 0.03 0.00 0.00 0.00 178.15 178.25 1f9n h ARG 11 N 0.37 0.00 0.16 2.37 3.08 -0.82 0.53 114.38 120.07 1f9n h ARG 11 Ca 0.11 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.89 1f9n h ARG 11 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1f9n h ARG 11 CO -0.02 0.00 -1.25 1.49 -1.07 0.00 0.00 179.97 179.12 1f9n h GLU 12 N 0.00 0.33 0.00 0.04 4.81 -0.55 -2.87 114.58 116.35 1f9n h GLU 12 Ca 0.02 -0.57 -0.04 0.00 -0.13 0.00 0.00 59.36 58.64 1f9n h GLU 12 Cb 0.18 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1f9n h GLU 12 CO -0.00 1.27 -0.19 0.82 -0.73 0.00 0.00 179.01 180.18 1f9n h ILE 13 N -0.20 0.67 0.14 2.32 2.04 0.28 -2.41 117.51 120.36 1f9n h ILE 13 Ca -0.24 -0.82 -0.33 0.00 1.00 0.00 0.00 64.86 64.47 1f9n h ILE 13 Cb 1.83 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1f9n h ILE 13 CO 0.14 0.19 -1.64 0.40 0.00 0.00 0.00 178.15 177.24 1f9n h ILE 14 N 0.00 1.04 -0.00 -0.67 2.04 -1.04 -2.03 117.51 116.85 1f9n h ILE 14 Ca -0.00 -2.67 0.00 0.00 1.00 0.00 0.00 64.86 63.19 1f9n h ILE 14 Cb 0.51 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1f9n h ILE 14 CO 0.02 0.82 -0.03 0.41 0.00 0.00 0.00 178.15 179.38 1f9n n THR 15 N -3.50 0.00 0.01 -0.27 -1.04 -1.08 -3.57 114.28 104.83 1f9n n THR 15 Ca -0.20 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1f9n n THR 15 Cb 1.06 -0.45 -0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1f9n n THR 15 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1f9n n SER 16 N -1.44 0.12 -3.92 8.00 3.41 -0.92 -5.04 113.62 113.83 1f9n n SER 16 Ca 0.09 -0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 58.02 1f9n n SER 16 Cb 0.32 0.89 -0.13 0.00 -0.26 0.00 0.00 64.21 65.03 1f9n n SER 16 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1f9n s ASN 17 N -0.91 0.17 -0.53 4.04 0.01 -0.76 -5.06 114.94 111.91 1f9n s ASN 17 Ca 0.00 -0.19 -0.19 0.00 -0.71 0.00 0.00 52.86 51.78 1f9n s ASN 17 Cb 0.00 0.03 0.07 0.00 0.41 0.00 0.00 41.25 41.76 1f9n s ASN 17 CO 0.01 -0.09 0.64 -1.61 -1.51 0.00 0.00 177.10 174.53 1f9n s GLU 18 N -0.53 3.10 -0.26 -0.60 2.02 -1.26 -4.42 118.70 116.75 1f9n s GLU 18 Ca -0.05 -1.02 -0.15 0.00 0.02 0.00 0.00 54.97 53.77 1f9n s GLU 18 Cb -0.04 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 1f9n s GLU 18 CO -0.00 -1.30 0.39 0.42 0.02 0.00 0.00 175.26 174.79 1f9n s ILE 19 N 2.62 5.17 -0.00 -1.63 -1.09 -1.26 -4.97 121.20 120.03 1f9n s ILE 19 Ca 0.14 0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 59.07 1f9n s ILE 19 Cb -0.21 -3.72 -0.32 0.00 -1.58 0.00 0.00 42.46 36.63 1f9n s ILE 19 CO 0.10 0.17 0.85 -0.33 -1.23 0.00 0.00 174.94 174.50 1f9n h GLU 20 N 8.01 0.43 -5.00 2.79 4.39 -1.95 -2.40 114.58 120.86 1f9n h GLU 20 Ca -0.32 -0.74 -0.35 0.00 0.34 0.00 0.00 59.36 58.29 1f9n h GLU 20 Cb 1.16 0.28 -0.14 0.00 -0.10 0.00 0.00 28.75 29.94 1f9n h GLU 20 CO 0.66 1.34 -0.66 -0.08 -1.16 0.00 0.00 179.01 179.12 1f9n s THR 21 N -2.60 0.91 0.24 1.13 -1.32 -1.26 -4.84 115.64 107.91 1f9n s THR 21 Ca -0.12 -2.02 -0.04 0.00 -1.21 0.00 0.00 61.69 58.30 1f9n s THR 21 Cb 0.05 -2.28 0.14 0.00 -1.51 0.00 0.00 72.50 68.90 1f9n s THR 21 CO 0.89 -0.36 1.78 0.06 -2.21 0.00 0.00 174.62 174.78 1f9n h GLN 22 N 2.54 0.97 -0.45 7.08 3.07 -2.00 -2.67 115.11 123.64 1f9n h GLN 22 Ca -0.38 -0.21 -0.05 0.00 0.09 0.00 0.00 58.65 58.10 1f9n h GLN 22 Cb 1.22 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.62 1f9n h GLN 22 CO 0.64 0.86 0.07 -0.44 0.09 0.00 0.00 178.83 180.05 1f9n h ASP 23 N 0.93 0.65 -0.97 0.06 3.32 -1.98 -1.23 116.42 117.20 1f9n h ASP 23 Ca 0.20 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1f9n h ASP 23 Cb 0.33 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1f9n h ASP 23 CO 0.00 0.68 0.64 -0.33 -1.72 0.00 0.00 179.24 178.50 1f9n h GLU 24 N 0.67 1.19 -0.22 3.56 5.08 -1.90 0.30 114.58 123.26 1f9n h GLU 24 Ca 0.15 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1f9n h GLU 24 Cb 0.32 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1f9n h GLU 24 CO 0.00 0.79 -0.44 1.25 -1.00 0.00 0.00 179.01 179.61 1f9n h LEU 25 N 1.23 0.59 -0.62 1.33 5.85 -1.24 -1.67 115.31 120.78 1f9n h LEU 25 Ca 0.38 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1f9n h LEU 25 Cb -0.00 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1f9n h LEU 25 CO -0.12 0.95 -0.01 0.58 -0.34 0.00 0.00 178.44 179.50 1f9n h VAL 26 N 0.45 1.27 -0.19 1.05 2.07 0.08 -1.91 116.25 119.07 1f9n h VAL 26 Ca 0.03 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.28 1f9n h VAL 26 Cb 0.95 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1f9n h VAL 26 CO 0.08 0.42 -0.26 0.44 0.02 0.00 0.00 177.57 178.28 1f9n h ASP 27 N 0.97 0.56 -0.08 0.57 3.32 -0.40 -2.45 116.42 118.91 1f9n h ASP 27 Ca 0.17 -0.51 0.02 0.00 0.02 0.00 0.00 57.03 56.73 1f9n h ASP 27 Cb 0.58 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1f9n h ASP 27 CO 0.03 0.96 0.07 0.24 -1.72 0.00 0.00 179.24 178.83 1f9n h MET 28 N 0.17 0.00 -0.08 3.56 2.86 -1.24 0.15 114.93 120.34 1f9n h MET 28 Ca 0.02 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 1f9n h MET 28 Cb 0.83 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1f9n h MET 28 CO 0.06 0.00 -0.72 -0.07 1.06 0.00 0.00 176.91 177.24 1f9n h LEU 29 N 0.00 0.49 -0.26 1.22 3.38 -1.02 -2.39 115.31 116.74 1f9n h LEU 29 Ca 0.04 -0.32 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 1f9n h LEU 29 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1f9n h LEU 29 CO -0.00 1.06 -0.89 0.50 0.09 0.00 0.00 178.44 179.20 1f9n h LYS 30 N 0.29 0.10 0.00 1.13 3.64 -0.40 -0.31 116.57 121.02 1f9n h LYS 30 Ca -0.03 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1f9n h LYS 30 Cb 1.29 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1f9n h LYS 30 CO 0.12 0.92 -0.18 0.37 -2.27 0.00 0.00 179.45 178.42 1f9n h GLN 31 N 0.05 0.00 0.00 1.90 -0.00 -0.76 -2.84 115.11 113.46 1f9n h GLN 31 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.47 1f9n h GLN 31 Cb 1.54 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.99 1f9n h GLN 31 CO 0.13 0.18 -1.52 -0.25 0.00 0.00 0.00 178.83 177.36 1f9n n ASP 32 N -3.30 0.69 0.00 -0.69 9.92 -0.91 -5.01 116.55 117.25 1f9n n ASP 32 Ca 0.01 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1f9n n ASP 32 Cb 0.42 0.45 0.00 0.00 -0.64 0.00 0.00 41.12 41.36 1f9n n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f9n n GLY 33 N 1.39 0.67 3.20 0.44 0.00 -0.43 -5.09 105.19 105.38 1f9n n GLY 33 Ca -0.10 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1f9n n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f9n s TYR 34 N -0.67 1.53 -0.41 1.61 1.51 -0.26 -5.01 117.35 115.64 1f9n s TYR 34 Ca 0.00 -0.37 -0.17 0.00 -1.01 0.00 0.00 57.07 55.52 1f9n s TYR 34 Cb 0.00 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1f9n s TYR 34 CO 0.00 0.07 0.45 -1.59 -1.11 0.00 0.00 175.55 173.37 1f9n s LYS 35 N -1.21 3.16 -0.02 -0.62 -2.85 -1.26 -4.39 119.74 112.55 1f9n s LYS 35 Ca 0.04 -0.69 -0.12 0.00 -1.00 0.00 0.00 55.97 54.20 1f9n s LYS 35 Cb -0.08 -3.95 0.02 0.00 -2.06 0.00 0.00 37.83 31.75 1f9n s LYS 35 CO 0.02 -0.83 0.26 0.08 0.10 0.00 0.00 175.35 174.97 1f9n s VAL 36 N 2.18 0.06 0.07 1.79 1.01 -1.26 -5.10 120.40 119.15 1f9n s VAL 36 Ca 0.13 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1f9n s VAL 36 Cb -0.17 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1f9n s VAL 36 CO 0.14 -0.28 -0.07 0.42 0.00 0.00 0.00 175.10 175.32 1f9n s THR 37 N -1.24 3.61 -0.12 3.92 -4.23 -1.26 -4.98 115.64 111.35 1f9n s THR 37 Ca -0.13 -1.06 0.09 0.00 -1.18 0.00 0.00 61.69 59.42 1f9n s THR 37 Cb -0.06 -2.66 0.09 0.00 1.34 0.00 0.00 72.50 71.21 1f9n s THR 37 CO 0.03 0.19 1.14 1.67 -0.54 0.00 0.00 174.62 177.12 1f9n n GLN 38 N 0.91 0.06 0.11 3.99 7.27 -1.26 0.88 117.38 129.35 1f9n n GLN 38 Ca -0.13 0.49 0.05 0.00 0.07 0.00 0.00 57.00 57.48 1f9n n GLN 38 Cb 0.52 -2.00 0.01 0.00 2.41 0.00 0.00 30.24 31.18 1f9n n GLN 38 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1f9n h ALA 39 N 1.13 0.68 0.03 1.69 0.00 -2.00 -3.26 119.26 117.54 1f9n h ALA 39 Ca 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 1f9n h ALA 39 Cb 0.60 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1f9n h ALA 39 CO 0.00 0.49 -1.30 1.15 0.00 0.00 0.00 179.25 179.58 1f9n h THR 40 N 0.00 0.95 -0.38 0.00 2.02 0.11 -3.33 112.91 112.27 1f9n h THR 40 Ca -0.05 -2.24 0.07 0.00 0.77 0.00 0.00 66.41 64.96 1f9n h THR 40 Cb 1.30 2.41 -0.06 0.00 -1.74 0.00 0.00 68.15 70.07 1f9n h THR 40 CO 0.04 0.47 0.01 1.62 0.37 0.00 0.00 175.52 178.03 1f9n h VAL 41 N -0.75 0.72 -0.26 3.16 3.04 -1.66 0.23 116.25 120.73 1f9n h VAL 41 Ca -0.33 -0.04 0.08 0.00 -1.01 0.00 0.00 66.70 65.40 1f9n h VAL 41 Cb 1.45 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 1f9n h VAL 41 CO -0.12 0.02 0.28 0.77 -1.01 0.00 0.00 177.57 177.51 1f9n h SER 42 N 0.11 0.00 0.20 3.17 4.64 -1.74 0.15 113.55 120.08 1f9n h SER 42 Ca 0.19 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.25 1f9n h SER 42 Cb 0.26 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1f9n h SER 42 CO -0.31 0.00 -1.08 -0.09 -0.87 0.00 0.00 176.83 174.48 1f9n h ARG 43 N 0.00 0.55 -0.45 4.77 2.43 -0.69 -3.18 114.38 117.81 1f9n h ARG 43 Ca 0.13 -0.65 -0.09 0.00 -0.81 0.00 0.00 59.98 58.56 1f9n h ARG 43 Cb 0.67 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1f9n h ARG 43 CO -0.00 1.26 -0.08 -0.44 -1.51 0.00 0.00 179.97 179.20 1f9n h ASP 44 N 0.28 0.78 -0.57 -3.80 3.32 0.24 -0.96 116.42 115.71 1f9n h ASP 44 Ca -0.13 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1f9n h ASP 44 Cb 1.74 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 41.05 1f9n h ASP 44 CO 0.20 0.89 0.18 0.40 -1.72 0.00 0.00 179.24 179.20 1f9n h ILE 45 N 0.72 1.23 -0.00 0.35 5.03 -1.42 0.28 117.51 123.70 1f9n h ILE 45 Ca 0.13 -0.80 -0.17 0.00 -0.12 0.00 0.00 64.86 63.90 1f9n h ILE 45 Cb 0.56 0.57 -0.02 0.00 -3.03 0.00 0.00 36.82 34.90 1f9n h ILE 45 CO 0.03 0.31 -0.78 0.11 -0.68 0.00 0.00 178.15 177.14 1f9n h LYS 46 N 0.89 0.04 -0.11 2.37 6.56 -1.48 -0.93 116.57 123.92 1f9n h LYS 46 Ca 0.20 -0.04 -0.24 0.00 -1.06 0.00 0.00 60.65 59.52 1f9n h LYS 46 Cb 0.27 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1f9n h LYS 46 CO -0.01 0.80 -0.86 0.93 -2.06 0.00 0.00 179.45 178.25 1f9n h GLU 47 N 0.02 0.77 0.00 3.15 5.08 -0.61 -3.11 114.58 119.88 1f9n h GLU 47 Ca -0.01 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.66 1f9n h GLU 47 Cb 1.38 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1f9n h GLU 47 CO 0.10 1.28 -0.08 1.28 -1.00 0.00 0.00 179.01 180.60 1f9n n LEU 48 N -3.92 0.17 -2.09 1.33 4.77 0.93 -4.91 117.00 113.28 1f9n n LEU 48 Ca -0.09 0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 56.15 1f9n n LEU 48 Cb 0.79 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1f9n n LEU 48 CO 0.54 -0.01 -0.23 1.41 -1.33 0.00 0.00 177.39 177.78 1f9n n HIS 49 N -1.60 -0.89 -1.23 -1.77 8.25 -0.46 -4.86 115.22 112.67 1f9n n HIS 49 Ca 0.07 0.01 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 1f9n n HIS 49 Cb 0.35 -3.61 0.12 0.00 1.12 0.00 0.00 29.99 27.97 1f9n n HIS 49 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1f9n s LEU 50 N -5.25 3.21 0.26 2.41 1.43 -0.57 -4.51 118.68 115.66 1f9n s LEU 50 Ca 0.01 2.39 0.01 0.00 -1.03 0.00 0.00 54.13 55.51 1f9n s LEU 50 Cb -0.00 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.59 1f9n s LEU 50 CO 0.01 -2.53 0.23 0.68 0.23 0.00 0.00 176.35 174.96 1f9n s VAL 51 N -2.05 0.00 -0.10 -1.59 -7.23 -0.82 -4.92 120.40 103.69 1f9n s VAL 51 Ca 0.74 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.93 1f9n s VAL 51 Cb -0.30 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1f9n s VAL 51 CO 0.49 0.00 0.08 -0.54 -0.31 0.00 0.00 175.10 174.81 1f9n s LYS 52 N -3.81 3.22 0.02 4.82 1.02 -1.26 -0.89 119.74 122.87 1f9n s LYS 52 Ca 0.38 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 56.13 1f9n s LYS 52 Cb 0.04 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1f9n s LYS 52 CO 0.18 0.74 -0.09 0.08 -0.92 0.00 0.00 175.35 175.34 1f9n s VAL 53 N -0.98 0.67 1.00 3.17 1.01 0.13 -4.91 120.40 120.49 1f9n s VAL 53 Ca 0.15 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1f9n s VAL 53 Cb -0.12 -0.63 0.17 0.00 0.00 0.00 0.00 36.38 35.80 1f9n s VAL 53 CO 0.04 -0.08 0.99 -2.65 0.00 0.00 0.00 175.10 173.40 1f9n n PRO 54 N 2.13 -1.03 -4.19 2.72 -0.02 -1.26 -1.14 135.00 132.22 1f9n n PRO 54 Ca -0.18 -0.25 -0.12 0.00 -2.02 0.00 0.00 63.50 60.94 1f9n n PRO 54 Cb 0.56 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 1f9n n PRO 54 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1f9n s THR 55 N -2.54 0.84 -0.71 3.45 2.01 0.31 -4.73 115.64 114.27 1f9n s THR 55 Ca 0.66 -1.92 0.13 0.00 0.31 0.00 0.00 61.69 60.87 1f9n s THR 55 Cb -0.23 -1.67 0.13 0.00 0.01 0.00 0.00 72.50 70.74 1f9n s THR 55 CO 0.61 -0.80 1.41 0.59 -0.69 0.00 0.00 174.62 175.74 1f9n n ASN 56 N 0.01 0.26 -0.50 3.53 4.13 -1.26 -1.40 115.26 120.03 1f9n n ASN 56 Ca -0.12 0.60 0.11 0.00 1.68 0.00 0.00 54.58 56.84 1f9n n ASN 56 Cb 0.60 -0.64 -0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1f9n n ASN 56 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1f9n n ASN 57 N -1.83 2.03 0.00 6.41 0.23 -1.26 -4.97 115.26 115.87 1f9n n ASN 57 Ca 0.01 -1.52 0.00 0.00 -0.53 0.00 0.00 54.58 52.54 1f9n n ASN 57 Cb 0.09 0.47 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1f9n n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f9n n GLY 58 N 1.41 0.83 3.84 4.83 0.00 -0.49 -5.09 105.19 110.51 1f9n n GLY 58 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1f9n n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f9n s SER 59 N -2.31 4.70 -0.18 1.61 1.04 -1.26 -4.85 113.70 112.44 1f9n s SER 59 Ca 0.00 -1.02 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 1f9n s SER 59 Cb 0.00 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.91 1f9n s SER 59 CO 0.00 -0.76 -0.15 -0.31 0.98 0.00 0.00 173.24 172.99 1f9n s TYR 60 N -2.61 2.82 0.50 5.02 1.51 -1.26 -0.53 117.35 122.79 1f9n s TYR 60 Ca 0.41 -1.36 0.07 0.00 -1.01 0.00 0.00 57.07 55.18 1f9n s TYR 60 Cb -0.00 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1f9n s TYR 60 CO 0.24 -0.68 0.45 -1.59 -1.11 0.00 0.00 175.55 172.85 1f9n s LYS 61 N 1.23 2.36 0.25 -0.62 -2.85 -0.29 -4.46 119.74 115.36 1f9n s LYS 61 Ca 0.03 -1.79 -0.08 0.00 -1.00 0.00 0.00 55.97 53.13 1f9n s LYS 61 Cb -0.14 -2.27 -0.06 0.00 -2.06 0.00 0.00 37.83 33.29 1f9n s LYS 61 CO -0.08 -0.49 0.55 0.71 0.10 0.00 0.00 175.35 176.14 1f9n s TYR 62 N -2.65 3.44 0.13 1.78 2.02 -0.90 0.21 117.35 121.39 1f9n s TYR 62 Ca 0.43 0.80 -0.08 0.00 -0.37 0.00 0.00 57.07 57.85 1f9n s TYR 62 Cb -0.03 -2.21 0.03 0.00 -0.40 0.00 0.00 41.96 39.35 1f9n s TYR 62 CO 0.26 0.23 0.42 0.43 -1.57 0.00 0.00 175.55 175.32 1f9n n SER 63 N -0.41 -0.92 -4.94 2.29 7.64 -0.07 -4.72 113.62 112.49 1f9n n SER 63 Ca -0.00 -1.57 -0.25 0.00 1.01 0.00 0.00 58.87 58.06 1f9n n SER 63 Cb 0.53 1.52 -0.01 0.00 -1.01 0.00 0.00 64.21 65.23 1f9n n SER 63 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1f9n s LEU 64 N 0.00 3.98 0.26 -3.43 1.43 -1.26 -1.95 118.68 117.70 1f9n s LEU 64 Ca 0.09 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1f9n s LEU 64 Cb -0.02 -3.39 0.38 0.00 0.03 0.00 0.00 46.19 43.20 1f9n s LEU 64 CO 0.04 -0.32 1.86 -0.65 0.23 0.00 0.00 176.35 177.52 1f9n h PRO 65 N 0.76 1.03 0.00 1.29 0.11 -1.89 -2.27 132.00 131.04 1f9n h PRO 65 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1f9n h PRO 65 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1f9n h PRO 65 CO 0.62 0.68 0.00 0.00 -0.21 0.00 0.00 178.00 179.09 1f9n n ALA 66 N -2.36 1.25 -1.69 -0.75 0.00 -1.26 -4.76 120.51 110.94 1f9n n ALA 66 Ca 0.14 -0.00 -0.51 0.00 0.00 0.00 0.00 53.44 53.07 1f9n n ALA 66 Cb 0.20 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 1f9n n ALA 66 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f9n n ASP 67 N -1.57 3.01 0.00 0.00 -0.08 -0.86 -4.80 116.55 112.26 1f9n n ASP 67 Ca 0.01 1.02 0.03 0.00 -1.51 0.00 0.00 54.79 54.34 1f9n n ASP 67 Cb 0.07 -1.30 0.15 0.00 2.34 0.00 0.00 41.12 42.38 1f9n n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f9n n GLN 68 N 5.78 0.07 0.00 -0.67 6.02 -1.26 -1.04 117.38 126.28 1f9n n GLN 68 Ca 0.23 0.27 0.11 0.00 -0.01 0.00 0.00 57.00 57.60 1f9n n GLN 68 Cb 0.24 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.05 1f9n n GLN 68 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1f9n n ARG 69 N -1.34 0.05 -2.96 -1.09 3.00 -1.26 -4.30 116.66 108.76 1f9n n ARG 69 Ca 0.03 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.85 57.41 1f9n n ARG 69 Cb 0.05 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 30.96 1f9n n ARG 69 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1f9n s PHE 70 N -2.98 2.95 -0.94 -0.14 5.36 -0.20 -4.39 117.98 117.64 1f9n s PHE 70 Ca 0.10 0.03 -0.10 0.00 -0.96 0.00 0.00 56.93 55.99 1f9n s PHE 70 Cb 0.17 -3.73 0.01 0.00 -0.34 0.00 0.00 43.02 39.12 1f9n s PHE 70 CO 0.79 -1.08 0.67 -1.71 -1.46 0.00 0.00 175.22 172.43 1f9n n ASN 71 N 6.82 -5.31 -0.31 6.13 2.85 -1.26 -4.77 115.26 119.41 1f9n n ASN 71 Ca 0.01 -0.89 -0.00 0.00 -0.11 0.00 0.00 54.58 53.59 1f9n n ASN 71 Cb 0.48 -2.61 0.13 0.00 1.24 0.00 0.00 39.78 39.01 1f9n n ASN 71 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1f9n h PRO 72 N -0.90 0.96 -0.63 1.20 0.11 -1.77 -2.32 132.00 128.66 1f9n h PRO 72 Ca -0.55 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.55 1f9n h PRO 72 Cb 1.33 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1f9n h PRO 72 CO 0.41 0.64 0.41 1.25 -0.21 0.00 0.00 178.00 180.50 1f9n h LEU 73 N 0.99 0.57 0.01 2.35 5.85 -1.90 -0.69 115.31 122.50 1f9n h LEU 73 Ca 0.36 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.08 1f9n h LEU 73 Cb 0.11 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1f9n h LEU 73 CO -0.15 0.38 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.05 1f9n h SER 74 N 0.66 -0.01 -0.17 1.25 0.87 -1.77 -2.66 113.55 111.72 1f9n h SER 74 Ca 0.26 -0.63 0.05 0.00 -1.23 0.00 0.00 61.79 60.24 1f9n h SER 74 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1f9n h SER 74 CO -0.08 0.64 0.17 0.11 -0.53 0.00 0.00 176.83 177.14 1f9n h LYS 75 N -0.66 0.00 -0.25 2.24 1.57 -1.17 0.02 116.57 118.32 1f9n h LYS 75 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1f9n h LYS 75 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1f9n h LYS 75 CO 0.00 0.00 -0.62 1.25 -0.57 0.00 0.00 179.45 179.51 1f9n h LEU 76 N 0.00 0.98 -0.45 2.94 6.46 -1.01 -2.41 115.31 121.82 1f9n h LEU 76 Ca 0.08 -0.56 -0.03 0.00 -0.12 0.00 0.00 57.88 57.25 1f9n h LEU 76 Cb 0.42 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1f9n h LEU 76 CO -0.00 1.37 0.18 0.50 -0.62 0.00 0.00 178.44 179.86 1f9n h LYS 77 N 0.64 0.67 -0.63 1.25 3.64 -0.65 0.18 116.57 121.67 1f9n h LYS 77 Ca -0.01 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1f9n h LYS 77 Cb 1.24 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1f9n h LYS 77 CO 0.14 0.61 0.17 0.00 -2.27 0.00 0.00 179.45 178.09 1f9n h ARG 78 N 0.58 1.00 0.54 1.90 3.08 -1.47 -2.05 114.38 117.95 1f9n h ARG 78 Ca 0.15 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1f9n h ARG 78 Cb 0.19 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1f9n h ARG 78 CO -0.01 0.90 -0.26 0.00 -1.07 0.00 0.00 179.97 179.53 1f9n h ALA 79 N 1.06 -0.72 -1.00 0.04 0.00 -1.22 -2.78 119.26 114.64 1f9n h ALA 79 Ca 0.20 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.13 1f9n h ALA 79 Cb 0.34 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.30 1f9n h ALA 79 CO -0.00 -0.72 0.61 -0.07 0.00 0.00 0.00 179.25 179.08 1f9n h LEU 80 N -1.10 0.70 -0.84 0.00 3.38 -0.67 0.26 115.31 117.04 1f9n h LEU 80 Ca -0.07 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1f9n h LEU 80 Cb 0.61 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1f9n h LEU 80 CO 0.12 0.22 -0.42 0.24 0.09 0.00 0.00 178.44 178.69 1f9n h MET 81 N 0.66 0.35 0.11 1.13 2.86 -1.39 0.65 114.93 119.30 1f9n h MET 81 Ca 0.58 -0.17 -0.30 0.00 -2.06 0.00 0.00 59.70 57.76 1f9n h MET 81 Cb 1.05 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.73 1f9n h MET 81 CO -0.37 0.71 -1.23 -0.44 1.06 0.00 0.00 176.91 176.63 1f9n h ASP 82 N 0.29 0.86 -0.01 1.22 5.19 -0.74 -3.38 116.42 119.86 1f9n h ASP 82 Ca 0.03 -0.79 0.00 0.00 -0.62 0.00 0.00 57.03 55.65 1f9n h ASP 82 Cb 0.86 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1f9n h ASP 82 CO 0.07 1.59 -0.28 0.00 -3.12 0.00 0.00 179.24 177.50 1f9n n ALA 83 N -2.67 3.02 -1.61 3.45 0.00 -0.16 -4.95 120.51 117.60 1f9n n ALA 83 Ca -0.13 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 1f9n n ALA 83 Cb 0.98 -0.44 0.03 0.00 0.00 0.00 0.00 19.45 20.02 1f9n n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f9n n PHE 84 N -0.29 0.97 0.00 0.00 7.35 0.23 -1.03 117.46 124.69 1f9n n PHE 84 Ca 0.05 0.50 0.00 0.00 -0.76 0.00 0.00 57.45 57.24 1f9n n PHE 84 Cb 0.26 -2.19 0.00 0.00 0.35 0.00 0.00 39.48 37.90 1f9n n PHE 84 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1f9n n VAL 85 N -0.98 0.00 -3.52 -2.13 0.31 -0.88 -4.76 118.33 106.37 1f9n n VAL 85 Ca 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.35 1f9n n VAL 85 Cb 0.43 -0.23 -0.02 0.00 -0.91 0.00 0.00 33.84 33.11 1f9n n VAL 85 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1f9n s LYS 86 N -1.46 0.94 -0.15 5.55 2.20 -1.01 -5.01 119.74 120.81 1f9n s LYS 86 Ca 0.00 -0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.07 1f9n s LYS 86 Cb 0.00 0.42 0.04 0.00 -1.51 0.00 0.00 37.83 36.78 1f9n s LYS 86 CO 0.00 -0.41 0.46 -1.50 -0.36 0.00 0.00 175.35 173.54 1f9n s ILE 87 N -3.25 0.01 0.11 5.43 2.07 -1.26 -1.00 121.20 123.32 1f9n s ILE 87 Ca 0.05 -0.06 -0.14 0.00 -1.41 0.00 0.00 60.65 59.09 1f9n s ILE 87 Cb -0.01 -0.68 0.03 0.00 0.13 0.00 0.00 42.46 41.93 1f9n s ILE 87 CO -0.08 -0.03 0.34 -0.62 -1.91 0.00 0.00 174.94 172.64 1f9n s ASP 88 N -0.06 -0.14 0.23 4.50 -1.08 -0.29 -5.00 116.67 114.83 1f9n s ASP 88 Ca -0.03 -0.39 0.01 0.00 -0.52 0.00 0.00 52.55 51.62 1f9n s ASP 88 Cb -0.03 0.44 -0.04 0.00 -1.46 0.00 0.00 42.92 41.82 1f9n s ASP 88 CO 0.02 -0.81 0.14 -0.94 0.52 0.00 0.00 175.17 174.10 1f9n s SER 89 N -2.79 0.60 0.00 -0.34 1.04 -1.26 0.40 113.70 111.35 1f9n s SER 89 Ca 0.03 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1f9n s SER 89 Cb 0.03 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1f9n s SER 89 CO -0.11 -0.85 0.00 0.00 0.98 0.00 0.00 173.24 173.26 1f9n n ALA 90 N -0.36 0.00 -0.61 5.32 0.00 0.32 -4.95 120.51 120.23 1f9n n ALA 90 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1f9n n ALA 90 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1f9n n ALA 90 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1f9n n SER 91 N 0.00 0.00 -0.02 0.00 3.41 -1.26 -4.11 113.62 111.64 1f9n n SER 91 Ca 0.00 0.15 0.01 0.00 -0.26 0.00 0.00 58.87 58.77 1f9n n SER 91 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1f9n n SER 91 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1f9n n HIS 92 N -0.41 0.00 -2.86 7.33 8.25 -1.26 -3.82 115.22 122.45 1f9n n HIS 92 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1f9n n HIS 92 Cb 0.00 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 30.78 1f9n n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f9n s MET 93 N -2.47 3.46 -0.05 -0.41 0.00 -1.26 -1.32 119.30 117.25 1f9n s MET 93 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 55.69 55.61 1f9n s MET 93 Cb 0.05 -2.46 0.03 0.00 0.00 0.00 0.00 34.83 32.44 1f9n s MET 93 CO 0.39 -0.13 0.11 -1.50 0.00 0.00 0.00 175.02 173.89 1f9n s ILE 94 N -2.62 -0.03 -0.21 3.16 2.07 -0.65 -0.52 121.20 122.39 1f9n s ILE 94 Ca 0.46 0.12 -0.04 0.00 -1.41 0.00 0.00 60.65 59.77 1f9n s ILE 94 Cb -0.10 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 1f9n s ILE 94 CO 0.42 0.05 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.78 1f9n s VAL 95 N 0.74 3.60 -0.22 4.00 1.01 0.16 -1.74 120.40 127.96 1f9n s VAL 95 Ca -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 1f9n s VAL 95 Cb -0.08 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.68 1f9n s VAL 95 CO -0.03 0.43 -0.08 -0.22 0.00 0.00 0.00 175.10 175.19 1f9n s LEU 96 N 1.26 2.81 -0.16 3.92 2.96 -0.26 -1.14 118.68 128.08 1f9n s LEU 96 Ca 0.03 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 1f9n s LEU 96 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1f9n s LEU 96 CO -0.00 -0.05 0.08 -0.54 -1.32 0.00 0.00 176.35 174.52 1f9n s LYS 97 N 1.40 3.77 0.42 1.98 1.02 -0.17 -0.12 119.74 128.04 1f9n s LYS 97 Ca 0.04 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 55.77 1f9n s LYS 97 Cb -0.15 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 1f9n s LYS 97 CO -0.06 0.44 0.07 0.25 -0.92 0.00 0.00 175.35 175.14 1f9n n THR 98 N 3.01 0.00 -1.13 2.17 -2.24 0.92 -2.07 114.28 114.94 1f9n n THR 98 Ca -0.17 -2.22 -0.29 0.00 -2.27 0.00 0.00 64.05 59.09 1f9n n THR 98 Cb 0.53 0.63 0.15 0.00 -2.10 0.00 0.00 70.33 69.54 1f9n n THR 98 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1f9n s MET 99 N -3.57 0.92 0.21 -0.78 1.00 -0.20 -4.71 119.30 112.18 1f9n s MET 99 Ca 0.10 0.79 -0.32 0.00 0.00 0.00 0.00 55.69 56.26 1f9n s MET 99 Cb 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 34.83 32.92 1f9n s MET 99 CO 0.07 -2.46 1.35 -2.30 0.00 0.00 0.00 175.02 171.68 1f9n n PRO 100 N -4.03 1.76 -3.56 2.03 -0.02 -1.26 -2.99 135.00 126.93 1f9n n PRO 100 Ca 0.07 0.63 -0.23 0.00 -2.02 0.00 0.00 63.50 61.95 1f9n n PRO 100 Cb 0.55 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 1f9n n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f9n n GLY 101 N 2.25 -0.76 0.00 -1.23 0.00 -0.92 -4.89 105.19 99.64 1f9n n GLY 101 Ca 0.13 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1f9n n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f9n n ASN 102 N -2.98 0.00 0.43 1.61 3.02 -1.07 -4.92 115.26 111.35 1f9n n ASN 102 Ca -0.17 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.19 1f9n n ASN 102 Cb 0.63 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.71 1f9n n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f9n h ALA 103 N 0.00 -1.07 -0.98 5.41 0.00 -1.74 -2.64 119.26 118.24 1f9n h ALA 103 Ca 0.00 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.85 1f9n h ALA 103 Cb 0.00 0.41 -0.17 0.00 0.00 0.00 0.00 17.79 18.03 1f9n h ALA 103 CO 0.00 -1.07 -0.31 1.96 0.00 0.00 0.00 179.25 179.83 1f9n h GLN 104 N -1.13 -0.00 0.07 0.00 1.08 -1.80 0.28 115.11 113.61 1f9n h GLN 104 Ca -0.11 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1f9n h GLN 104 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1f9n h GLN 104 CO 0.18 -0.00 -0.03 0.00 -0.95 0.00 0.00 178.83 178.03 1f9n h ALA 105 N 1.70 -0.09 -0.38 3.87 0.00 -1.92 -2.81 119.26 119.63 1f9n h ALA 105 Ca 0.41 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1f9n h ALA 105 Cb 0.66 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1f9n h ALA 105 CO -1.00 -0.40 0.25 0.82 0.00 0.00 0.00 179.25 178.93 1f9n h ILE 106 N -0.39 1.05 0.00 0.00 2.04 -0.90 0.27 117.51 119.59 1f9n h ILE 106 Ca -0.01 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1f9n h ILE 106 Cb 0.34 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1f9n h ILE 106 CO 0.01 0.08 -0.28 1.23 0.00 0.00 0.00 178.15 179.20 1f9n h GLY 107 N 0.45 0.00 0.97 5.37 0.00 -0.38 -2.48 103.07 107.00 1f9n h GLY 107 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.31 1f9n h GLY 107 CO -0.03 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.93 1f9n h ALA 108 N 1.72 0.24 -0.48 3.60 0.00 -0.69 -3.01 119.26 120.64 1f9n h ALA 108 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1f9n h ALA 108 Cb 0.60 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1f9n h ALA 108 CO 0.04 0.48 0.17 -0.07 0.00 0.00 0.00 179.25 179.86 1f9n h LEU 109 N 0.27 0.64 -0.93 0.00 3.38 -1.18 -2.38 115.31 115.11 1f9n h LEU 109 Ca -0.04 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1f9n h LEU 109 Cb 1.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1f9n h LEU 109 CO 0.12 0.60 -0.10 0.24 0.09 0.00 0.00 178.44 179.38 1f9n h MET 110 N 0.69 0.67 0.00 1.13 2.86 -1.44 -2.46 114.93 116.37 1f9n h MET 110 Ca 0.16 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1f9n h MET 110 Cb 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1f9n h MET 110 CO -0.01 0.76 0.00 -0.44 1.06 0.00 0.00 176.91 178.27 1f9n h ASP 111 N 0.61 0.00 0.50 1.22 3.32 -1.30 -2.35 116.42 118.42 1f9n h ASP 111 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1f9n h ASP 111 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1f9n h ASP 111 CO 0.03 0.00 -0.05 0.59 -1.72 0.00 0.00 179.24 178.09 1f9n n ASN 112 N -2.81 0.17 -0.06 6.45 5.03 -0.93 -3.24 115.26 119.86 1f9n n ASN 112 Ca 0.01 -0.29 -0.08 0.00 0.87 0.00 0.00 54.58 55.09 1f9n n ASN 112 Cb 0.31 -0.20 -0.15 0.00 -1.02 0.00 0.00 39.78 38.72 1f9n n ASN 112 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1f9n n LEU 113 N -1.18 0.34 -3.95 3.41 4.77 -0.89 -4.96 117.00 114.54 1f9n n LEU 113 Ca 0.14 0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.97 1f9n n LEU 113 Cb 0.26 0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 1f9n n LEU 113 CO 0.24 0.42 -0.22 -0.67 -1.33 0.00 0.00 177.39 175.84 1f9n n ASP 114 N -2.84 -2.02 -4.73 -1.43 -0.08 -1.20 -4.87 116.55 99.38 1f9n n ASP 114 Ca -0.25 -1.09 -0.42 0.00 -1.51 0.00 0.00 54.79 51.52 1f9n n ASP 114 Cb 1.08 -2.73 -0.03 0.00 2.34 0.00 0.00 41.12 41.78 1f9n n ASP 114 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1f9n s TRP 115 N -3.82 3.27 0.45 -0.67 0.51 -1.26 -4.88 118.94 112.54 1f9n s TRP 115 Ca 0.20 1.11 0.31 0.00 -2.12 0.00 0.00 56.10 55.60 1f9n s TRP 115 Cb -0.09 -3.62 1.70 0.00 -0.81 0.00 0.00 33.47 30.66 1f9n s TRP 115 CO 0.91 -2.04 1.94 0.38 -0.51 0.00 0.00 176.95 177.64 1f9n h ASP 116 N 6.14 0.00 1.51 2.95 3.04 -2.02 -1.43 116.42 126.61 1f9n h ASP 116 Ca -0.43 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.27 1f9n h ASP 116 Cb 1.21 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.49 1f9n h ASP 116 CO 0.82 0.00 -0.43 -0.33 -2.04 0.00 0.00 179.24 177.26 1f9n h GLU 117 N 0.00 0.00 -6.13 4.15 3.07 -1.93 -3.46 114.58 110.28 1f9n h GLU 117 Ca 0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.28 1f9n h GLU 117 Cb 0.34 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.20 1f9n h GLU 117 CO 0.00 0.43 -0.05 -1.64 -1.40 0.00 0.00 179.01 176.35 1f9n s MET 118 N -3.04 4.22 -0.16 2.33 -1.94 -0.54 -3.05 119.30 117.13 1f9n s MET 118 Ca 0.04 0.69 0.09 0.00 -1.71 0.00 0.00 55.69 54.80 1f9n s MET 118 Cb 0.07 -3.28 -0.23 0.00 2.01 0.00 0.00 34.83 33.40 1f9n s MET 118 CO 0.73 0.53 0.21 -1.33 -0.01 0.00 0.00 175.02 175.15 1f9n n MET 119 N 2.18 0.68 0.00 2.03 2.81 0.06 -4.88 117.12 120.00 1f9n n MET 119 Ca -0.09 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1f9n n MET 119 Cb 0.51 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1f9n n MET 119 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1f9n n GLY 120 N 1.85 0.85 3.03 3.03 0.00 -1.24 -5.04 105.19 107.67 1f9n n GLY 120 Ca -0.31 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1f9n n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f9n s THR 121 N -2.00 0.43 -0.20 2.61 -4.23 -1.26 -1.69 115.64 109.31 1f9n s THR 121 Ca 0.00 -0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 59.58 1f9n s THR 121 Cb 0.00 -0.50 0.06 0.00 1.34 0.00 0.00 72.50 73.40 1f9n s THR 121 CO 0.00 -0.33 0.02 -0.63 -0.54 0.00 0.00 174.62 173.15 1f9n s ILE 122 N -1.19 0.67 0.07 2.99 1.01 -0.66 -4.99 121.20 119.11 1f9n s ILE 122 Ca -0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1f9n s ILE 122 Cb -0.09 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1f9n s ILE 122 CO 0.00 -0.18 0.31 0.00 0.00 0.00 0.00 174.94 175.07 1f9n n GLY 124 N 0.62 1.54 0.13 0.00 0.00 0.17 -4.88 105.19 102.77 1f9n n GLY 124 Ca -0.07 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1f9n n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f9n n ASP 125 N 0.00 1.93 -0.01 1.61 -0.08 -1.26 -4.03 116.55 114.72 1f9n n ASP 125 Ca 0.00 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1f9n n ASP 125 Cb 0.00 -0.85 0.00 0.00 2.34 0.00 0.00 41.12 42.61 1f9n n ASP 125 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1f9n n ASP 126 N -4.22 1.04 -4.08 1.67 5.75 -1.26 -2.16 116.55 113.30 1f9n n ASP 126 Ca -0.44 -1.54 -0.23 0.00 -0.01 0.00 0.00 54.79 52.57 1f9n n ASP 126 Cb 0.82 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.75 1f9n n ASP 126 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1f9n s THR 127 N -0.54 1.08 -0.09 2.12 2.01 -1.26 -0.06 115.64 118.91 1f9n s THR 127 Ca 0.00 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.50 1f9n s THR 127 Cb 0.00 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1f9n s THR 127 CO 0.00 0.32 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.40 1f9n s ILE 128 N -0.03 1.85 -0.37 1.82 1.01 0.83 0.46 121.20 126.77 1f9n s ILE 128 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1f9n s ILE 128 Cb -0.08 -1.61 0.08 0.00 0.01 0.00 0.00 42.46 40.86 1f9n s ILE 128 CO 0.01 0.51 0.13 -0.22 0.00 0.00 0.00 174.94 175.37 1f9n s LEU 129 N 0.35 4.71 -0.13 2.97 1.98 -0.26 -1.10 118.68 127.21 1f9n s LEU 129 Ca -0.16 -1.67 -0.13 0.00 -2.89 0.00 0.00 54.13 49.28 1f9n s LEU 129 Cb -0.17 -1.80 -0.05 0.00 0.66 0.00 0.00 46.19 44.83 1f9n s LEU 129 CO 0.07 -0.43 0.30 -0.63 -1.89 0.00 0.00 176.35 173.77 1f9n s ILE 130 N 1.22 5.28 -0.13 6.68 1.01 -0.71 -1.65 121.20 132.90 1f9n s ILE 130 Ca 0.03 0.56 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1f9n s ILE 130 Cb -0.21 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1f9n s ILE 130 CO -0.02 0.45 -0.08 -0.63 0.00 0.00 0.00 174.94 174.66 1f9n s ILE 131 N 0.03 3.56 0.29 2.92 1.01 -0.68 -1.64 121.20 126.70 1f9n s ILE 131 Ca 0.18 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.44 1f9n s ILE 131 Cb -0.13 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 1f9n s ILE 131 CO 0.06 0.53 -0.05 0.00 0.00 0.00 0.00 174.94 175.48 1f9n h ARG 133 N 1.95 0.50 -4.23 0.00 2.43 -1.82 -3.44 114.38 109.77 1f9n h ARG 133 Ca -0.43 -0.46 -0.14 0.00 -0.81 0.00 0.00 59.98 58.14 1f9n h ARG 133 Cb 1.25 0.11 -0.15 0.00 -0.42 0.00 0.00 29.97 30.77 1f9n h ARG 133 CO 0.62 1.10 -0.58 0.95 -1.51 0.00 0.00 179.97 180.55 1f9n s THR 134 N -3.48 0.14 0.21 0.20 -4.23 -1.26 -5.02 115.64 102.19 1f9n s THR 134 Ca -0.07 -1.73 -0.09 0.00 -1.18 0.00 0.00 61.69 58.62 1f9n s THR 134 Cb 0.09 -1.78 0.14 0.00 1.34 0.00 0.00 72.50 72.30 1f9n s THR 134 CO 0.87 -0.63 1.82 -0.65 -0.54 0.00 0.00 174.62 175.49 1f9n h PRO 135 N 2.90 0.72 -0.46 3.99 0.11 -1.91 -0.69 132.00 136.65 1f9n h PRO 135 Ca -0.34 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1f9n h PRO 135 Cb 1.18 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1f9n h PRO 135 CO 0.59 0.47 0.28 0.93 -0.21 0.00 0.00 178.00 180.07 1f9n h GLU 136 N 0.74 0.62 -0.33 1.05 3.07 -1.97 -1.02 114.58 116.74 1f9n h GLU 136 Ca 0.29 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 1f9n h GLU 136 Cb 0.14 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1f9n h GLU 136 CO -0.16 0.45 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.45 1f9n h ASP 137 N 0.61 0.48 -0.38 1.42 3.32 -1.85 -0.47 116.42 119.55 1f9n h ASP 137 Ca 0.17 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1f9n h ASP 137 Cb -0.01 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1f9n h ASP 137 CO -0.03 0.56 0.15 0.74 -1.72 0.00 0.00 179.24 178.93 1f9n h THR 138 N 0.49 1.20 -0.26 0.35 2.02 -0.35 -1.07 112.91 115.28 1f9n h THR 138 Ca 0.10 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1f9n h THR 138 Cb 0.34 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1f9n h THR 138 CO 0.01 0.22 -0.22 -0.33 0.37 0.00 0.00 175.52 175.57 1f9n h GLU 139 N 0.47 0.48 0.31 6.66 4.39 -0.81 0.08 114.58 126.16 1f9n h GLU 139 Ca 0.13 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1f9n h GLU 139 Cb 0.20 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1f9n h GLU 139 CO -0.01 0.67 -0.15 0.78 -1.16 0.00 0.00 179.01 179.14 1f9n h GLY 140 N 0.99 -0.44 1.18 -3.84 0.00 -0.63 -0.83 103.07 99.51 1f9n h GLY 140 Ca 0.07 0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1f9n h GLY 140 CO 0.04 -0.16 0.30 -2.08 0.00 0.00 0.00 176.54 174.65 1f9n h VAL 141 N -0.46 1.24 -0.96 4.60 2.07 -1.10 -1.04 116.25 120.60 1f9n h VAL 141 Ca -0.04 -0.74 0.10 0.00 0.82 0.00 0.00 66.70 66.84 1f9n h VAL 141 Cb 0.35 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 1f9n h VAL 141 CO 0.07 0.30 0.62 0.50 0.02 0.00 0.00 177.57 179.08 1f9n h LYS 142 N 1.04 0.96 0.08 1.57 3.64 -0.62 -1.20 116.57 122.04 1f9n h LYS 142 Ca 0.24 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.29 1f9n h LYS 142 Cb 0.17 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1f9n h LYS 142 CO -0.02 0.64 -1.15 -0.91 -2.27 0.00 0.00 179.45 175.73 1f9n h ASN 143 N 0.99 0.73 -0.96 4.20 2.35 -0.52 -2.51 115.58 119.85 1f9n h ASN 143 Ca 0.45 -0.66 0.06 0.00 -0.55 0.00 0.00 56.30 55.60 1f9n h ASN 143 Cb 0.39 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1f9n h ASN 143 CO -0.21 1.47 0.62 0.03 -1.65 0.00 0.00 177.43 177.69 1f9n h ARG 144 N 0.25 1.11 -0.02 0.81 3.08 -0.46 0.18 114.38 119.32 1f9n h ARG 144 Ca -0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1f9n h ARG 144 Cb 1.82 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.62 1f9n h ARG 144 CO 0.21 0.73 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.74 1f9n h LEU 145 N 1.14 0.07 -2.09 3.04 3.38 -1.29 -3.09 115.31 116.47 1f9n h LEU 145 Ca 0.41 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1f9n h LEU 145 Cb 0.13 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1f9n h LEU 145 CO -0.16 0.59 0.08 -0.07 0.09 0.00 0.00 178.44 178.97 1f9n h LEU 146 N -0.45 0.00 -0.22 1.67 3.38 -1.09 0.74 115.31 119.34 1f9n h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1f9n h LEU 146 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1f9n h LEU 146 CO 0.01 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.75 1f9n n GLU 147 N -4.35 0.08 0.00 1.13 2.13 0.60 -2.44 120.64 117.79 1f9n n GLU 147 Ca -0.00 0.27 0.04 0.00 0.66 0.00 0.00 57.16 58.13 1f9n n GLU 147 Cb 0.20 -1.64 -0.11 0.00 0.27 0.00 0.00 31.44 30.15 1f9n n GLU 147 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1f9n n LEU 148 N -1.80 0.39 0.00 4.31 4.77 0.24 -5.08 117.00 119.83 1f9n n LEU 148 Ca 0.04 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1f9n n LEU 148 Cb 0.23 0.11 0.28 0.00 -2.33 0.00 0.00 43.42 41.71 1f9n n LEU 148 CO 0.18 0.11 0.51 0.18 -1.33 0.00 0.00 177.39 177.04