#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9n n ASN 2 N 0.00 0.23 0.00 3.17 2.85 -1.26 -4.69 115.26 115.56 1f9n n ASN 2 Ca 0.00 -0.90 0.00 0.00 -0.11 0.00 0.00 54.58 53.57 1f9n n ASN 2 Cb 0.00 -1.09 0.00 0.00 1.24 0.00 0.00 39.78 39.93 1f9n n ASN 2 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1f9n n LYS 3 N 7.27 0.00 0.00 1.20 4.76 -1.26 -4.78 118.16 125.35 1f9n n LYS 3 Ca 0.57 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 56.40 1f9n n LYS 3 Cb 0.28 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1f9n n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1f9n n GLY 4 N -1.38 0.06 0.00 0.72 0.00 -1.26 -4.02 105.19 99.31 1f9n n GLY 4 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f9n n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f9n n GLN 5 N 0.00 0.00 0.26 1.61 -0.00 -1.26 -2.84 117.38 115.15 1f9n n GLN 5 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.00 57.14 1f9n n GLN 5 Cb 0.00 -1.35 0.60 0.00 -0.00 0.00 0.00 30.24 29.49 1f9n n GLN 5 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 1f9n h ARG 6 N 0.00 0.00 -0.37 2.61 2.43 -1.95 0.58 114.38 117.69 1f9n h ARG 6 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1f9n h ARG 6 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1f9n h ARG 6 CO 0.00 0.00 0.14 0.45 -1.51 0.00 0.00 179.97 179.05 1f9n h HIS 7 N 0.00 0.51 -0.46 2.20 3.86 -1.90 -1.43 115.15 117.93 1f9n h HIS 7 Ca 0.07 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 1f9n h HIS 7 Cb 1.18 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 1f9n h HIS 7 CO 0.00 0.41 -0.15 0.82 0.86 0.00 0.00 177.93 179.87 1f9n h ILE 8 N 0.52 1.27 -0.37 2.45 2.04 -0.13 -1.34 117.51 121.94 1f9n h ILE 8 Ca 0.13 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.72 1f9n h ILE 8 Cb 0.12 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1f9n h ILE 8 CO -0.01 0.43 0.22 0.50 0.00 0.00 0.00 178.15 179.29 1f9n h LYS 9 N 0.77 0.51 0.21 2.37 3.11 -1.36 -2.58 116.57 119.59 1f9n h LYS 9 Ca 0.12 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.90 1f9n h LYS 9 Cb 0.67 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1f9n h LYS 9 CO 0.05 0.40 -0.12 0.82 -2.81 0.00 0.00 179.45 177.79 1f9n h ILE 10 N 0.48 0.75 -0.86 2.00 2.04 -1.07 0.48 117.51 121.33 1f9n h ILE 10 Ca 0.13 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.22 1f9n h ILE 10 Cb 0.03 0.75 -0.14 0.00 -0.74 0.00 0.00 36.82 36.72 1f9n h ILE 10 CO -0.02 0.00 0.18 0.03 0.00 0.00 0.00 178.15 178.34 1f9n h ARG 11 N -0.31 0.17 -0.01 2.37 3.08 -1.07 0.28 114.38 118.90 1f9n h ARG 11 Ca -0.02 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1f9n h ARG 11 Cb 0.25 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1f9n h ARG 11 CO 0.03 0.12 -0.84 1.49 -1.07 0.00 0.00 179.97 179.70 1f9n h GLU 12 N 0.18 0.19 -0.00 0.04 4.81 -1.13 -3.02 114.58 115.64 1f9n h GLU 12 Ca 0.53 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1f9n h GLU 12 Cb 1.04 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1f9n h GLU 12 CO -0.67 0.92 -0.00 0.82 -0.73 0.00 0.00 179.01 179.35 1f9n h ILE 13 N 0.11 1.25 0.00 2.32 2.04 0.17 -1.94 117.51 121.46 1f9n h ILE 13 Ca -0.04 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1f9n h ILE 13 Cb 1.45 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1f9n h ILE 13 CO 0.13 0.19 0.00 2.30 0.00 0.00 0.00 178.15 180.77 1f9n n ILE 14 N -4.93 0.40 0.04 -0.67 -5.35 0.18 -1.61 119.36 107.42 1f9n n ILE 14 Ca -0.08 0.10 0.10 0.00 -0.27 0.00 0.00 62.75 62.60 1f9n n ILE 14 Cb 0.17 -0.77 -0.15 0.00 -1.74 0.00 0.00 39.64 37.16 1f9n n ILE 14 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1f9n n THR 15 N -1.30 0.00 -0.08 7.28 -1.04 -1.11 -4.53 114.28 113.49 1f9n n THR 15 Ca 0.09 -0.42 -0.08 0.00 -2.04 0.00 0.00 64.05 61.60 1f9n n THR 15 Cb 0.17 0.11 -0.14 0.00 -1.82 0.00 0.00 70.33 68.65 1f9n n THR 15 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1f9n n SER 16 N -2.13 0.71 -4.52 8.00 7.64 -0.75 -5.01 113.62 117.56 1f9n n SER 16 Ca -0.03 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.60 1f9n n SER 16 Cb 0.49 0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 64.53 1f9n n SER 16 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1f9n s ASN 17 N -5.12 3.41 -0.46 6.43 0.01 -0.63 -5.11 114.94 113.47 1f9n s ASN 17 Ca -0.09 -1.23 -0.13 0.00 -0.71 0.00 0.00 52.86 50.71 1f9n s ASN 17 Cb 0.05 -0.29 0.08 0.00 0.41 0.00 0.00 41.25 41.50 1f9n s ASN 17 CO 0.71 -0.30 0.35 -1.61 -1.51 0.00 0.00 177.10 174.74 1f9n s GLU 18 N -3.67 2.80 -0.29 -0.60 2.02 -1.26 -4.52 118.70 113.17 1f9n s GLU 18 Ca 0.32 -1.46 -0.09 0.00 0.02 0.00 0.00 54.97 53.76 1f9n s GLU 18 Cb 0.04 -4.00 -0.02 0.00 0.10 0.00 0.00 34.13 30.26 1f9n s GLU 18 CO 0.15 -1.04 0.13 0.42 0.02 0.00 0.00 175.26 174.94 1f9n s ILE 19 N 1.53 4.58 -0.06 -1.63 1.09 -1.26 -4.95 121.20 120.50 1f9n s ILE 19 Ca 0.04 -0.30 0.16 0.00 -1.10 0.00 0.00 60.65 59.45 1f9n s ILE 19 Cb -0.24 -3.27 -0.24 0.00 -1.06 0.00 0.00 42.46 37.65 1f9n s ILE 19 CO 0.04 0.16 0.28 1.21 -0.10 0.00 0.00 174.94 176.53 1f9n n GLU 20 N 4.97 0.77 -4.27 2.79 2.13 -1.26 0.52 120.64 126.29 1f9n n GLU 20 Ca -0.15 -0.11 -0.29 0.00 0.66 0.00 0.00 57.16 57.27 1f9n n GLU 20 Cb 0.50 -1.40 -0.10 0.00 0.27 0.00 0.00 31.44 30.71 1f9n n GLU 20 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1f9n s THR 21 N -2.95 3.16 -1.55 6.31 -4.23 -1.26 -4.85 115.64 110.27 1f9n s THR 21 Ca -0.07 -1.46 0.17 0.00 -1.18 0.00 0.00 61.69 59.15 1f9n s THR 21 Cb 0.09 -2.50 0.34 0.00 1.34 0.00 0.00 72.50 71.77 1f9n s THR 21 CO 0.68 0.04 1.49 1.67 -0.54 0.00 0.00 174.62 177.96 1f9n n GLN 22 N 0.51 0.31 -0.08 3.99 7.27 -1.26 -2.59 117.38 125.53 1f9n n GLN 22 Ca -0.13 0.10 -0.22 0.00 0.07 0.00 0.00 57.00 56.82 1f9n n GLN 22 Cb 0.53 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.56 1f9n n GLN 22 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1f9n n ASP 23 N -1.23 2.01 0.01 1.69 -0.08 -1.26 -3.95 116.55 113.74 1f9n n ASP 23 Ca 0.09 0.15 0.13 0.00 -1.51 0.00 0.00 54.79 53.65 1f9n n ASP 23 Cb 0.12 -0.73 0.57 0.00 2.34 0.00 0.00 41.12 43.43 1f9n n ASP 23 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1f9n h GLU 24 N -0.32 0.22 -0.21 -0.67 5.08 -1.91 -0.97 114.58 115.80 1f9n h GLU 24 Ca -0.51 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1f9n h GLU 24 Cb 1.80 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.99 1f9n h GLU 24 CO -0.11 0.15 -0.08 1.25 -1.00 0.00 0.00 179.01 179.21 1f9n h LEU 25 N 0.23 0.43 0.05 1.33 5.85 -1.72 -2.04 115.31 119.44 1f9n h LEU 25 Ca 0.21 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1f9n h LEU 25 Cb 0.52 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1f9n h LEU 25 CO -0.04 0.74 -0.05 0.58 -0.34 0.00 0.00 178.44 179.33 1f9n h VAL 26 N 0.13 0.90 0.00 1.05 2.07 -1.35 -0.49 116.25 118.56 1f9n h VAL 26 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1f9n h VAL 26 Cb 0.56 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1f9n h VAL 26 CO 0.03 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.83 1f9n h ASP 27 N -0.10 0.00 0.22 0.57 1.82 -1.28 -0.17 116.42 117.48 1f9n h ASP 27 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 1f9n h ASP 27 Cb 0.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1f9n h ASP 27 CO -0.01 0.01 -0.11 -0.03 -1.61 0.00 0.00 179.24 177.49 1f9n h MET 28 N 0.00 -0.28 -0.10 0.28 4.05 -0.53 -2.39 114.93 115.97 1f9n h MET 28 Ca -0.00 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1f9n h MET 28 Cb 0.03 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1f9n h MET 28 CO 0.00 0.08 -0.10 -0.07 0.23 0.00 0.00 176.91 177.06 1f9n h LEU 29 N -0.90 -0.31 -0.92 3.39 3.38 -0.55 -2.10 115.31 117.31 1f9n h LEU 29 Ca -0.03 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1f9n h LEU 29 Cb 0.50 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1f9n h LEU 29 CO 0.05 -0.14 0.57 0.11 0.09 0.00 0.00 178.44 179.12 1f9n h LYS 30 N -0.13 0.97 0.00 1.13 1.57 -1.08 0.16 116.57 119.20 1f9n h LYS 30 Ca 0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1f9n h LYS 30 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1f9n h LYS 30 CO -0.17 0.64 0.00 1.04 -0.57 0.00 0.00 179.45 180.39 1f9n n GLN 31 N -4.61 0.12 -0.56 3.15 6.02 -0.89 -1.95 117.38 118.66 1f9n n GLN 31 Ca 0.14 0.39 0.10 0.00 -0.01 0.00 0.00 57.00 57.63 1f9n n GLN 31 Cb 0.22 -1.74 0.35 0.00 1.02 0.00 0.00 30.24 30.10 1f9n n GLN 31 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1f9n n ASP 32 N -1.96 4.59 0.00 1.08 9.92 0.54 -4.92 116.55 125.80 1f9n n ASP 32 Ca 0.02 -2.34 0.00 0.00 -0.53 0.00 0.00 54.79 51.94 1f9n n ASP 32 Cb 0.18 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 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 1.25 0.98 3.27 0.44 0.00 -0.82 -5.06 105.19 105.25 1f9n n GLY 33 Ca 0.26 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 2.30 -0.50 1.61 1.51 -0.99 -5.01 117.35 114.27 1f9n s TYR 34 Ca 0.00 -0.59 -0.10 0.00 -1.01 0.00 0.00 57.07 55.37 1f9n s TYR 34 Cb 0.00 -1.50 0.13 0.00 -0.11 0.00 0.00 41.96 40.48 1f9n s TYR 34 CO 0.00 -0.14 0.38 0.15 -1.11 0.00 0.00 175.55 174.83 1f9n s LYS 35 N -0.31 2.58 0.45 -0.62 1.02 -1.26 -3.47 119.74 118.13 1f9n s LYS 35 Ca 0.02 -1.80 0.02 0.00 0.02 0.00 0.00 55.97 54.23 1f9n s LYS 35 Cb -0.12 -3.99 -0.01 0.00 -0.52 0.00 0.00 37.83 33.19 1f9n s LYS 35 CO 0.02 -1.22 0.09 1.33 -0.92 0.00 0.00 175.35 174.65 1f9n n VAL 36 N 4.89 0.00 -4.17 3.17 0.24 -1.26 -4.96 118.33 116.24 1f9n n VAL 36 Ca -0.08 -2.40 -0.14 0.00 -2.04 0.00 0.00 64.34 59.69 1f9n n VAL 36 Cb 0.41 0.71 -0.11 0.00 -1.47 0.00 0.00 33.84 33.38 1f9n n VAL 36 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1f9n s THR 37 N -2.99 0.90 0.59 3.34 2.01 -1.26 -5.02 115.64 113.21 1f9n s THR 37 Ca 0.12 -1.66 0.29 0.00 0.31 0.00 0.00 61.69 60.75 1f9n s THR 37 Cb 0.01 -1.38 0.36 0.00 0.01 0.00 0.00 72.50 71.50 1f9n s THR 37 CO 0.09 -0.60 2.06 0.06 -0.69 0.00 0.00 174.62 175.54 1f9n h GLN 38 N 3.50 0.00 0.12 4.92 -0.00 -1.99 0.56 115.11 122.23 1f9n h GLN 38 Ca -0.37 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.00 1f9n h GLN 38 Cb 1.19 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.68 1f9n h GLN 38 CO 0.54 0.00 -1.22 0.00 -0.00 0.00 0.00 178.83 178.15 1f9n h ALA 39 N 1.70 0.10 -0.13 0.06 0.00 -1.99 -2.78 119.26 116.22 1f9n h ALA 39 Ca 0.11 -0.83 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 1f9n h ALA 39 Cb 0.63 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1f9n h ALA 39 CO -0.00 0.86 -0.16 1.15 0.00 0.00 0.00 179.25 181.10 1f9n h THR 40 N 0.14 1.36 -0.46 0.00 2.02 -1.36 -2.79 112.91 111.81 1f9n h THR 40 Ca -0.15 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.67 1f9n h THR 40 Cb 1.92 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.25 1f9n h THR 40 CO 0.21 0.39 0.27 0.58 0.37 0.00 0.00 175.52 177.35 1f9n h VAL 41 N -0.05 1.15 -0.51 3.16 2.07 -1.20 -0.98 116.25 119.88 1f9n h VAL 41 Ca 0.02 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1f9n h VAL 41 Cb 0.71 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1f9n h VAL 41 CO 0.04 0.15 0.34 0.77 0.02 0.00 0.00 177.57 178.90 1f9n h SER 42 N 0.61 0.44 -0.07 0.57 4.64 -1.53 -0.11 113.55 118.11 1f9n h SER 42 Ca 0.16 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1f9n h SER 42 Cb 0.01 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1f9n h SER 42 CO -0.03 0.30 -0.02 0.03 -0.87 0.00 0.00 176.83 176.23 1f9n h ARG 43 N 0.51 0.13 -0.57 4.77 3.08 -1.04 -2.49 114.38 118.77 1f9n h ARG 43 Ca 0.22 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.27 1f9n h ARG 43 Cb 0.22 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1f9n h ARG 43 CO -0.06 0.49 0.28 -0.44 -1.07 0.00 0.00 179.97 179.17 1f9n h ASP 44 N -0.23 0.37 -0.77 7.04 3.32 -0.24 -0.30 116.42 125.61 1f9n h ASP 44 Ca 0.02 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.19 1f9n h ASP 44 Cb 0.44 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 1f9n h ASP 44 CO 0.01 0.25 0.43 0.40 -1.72 0.00 0.00 179.24 178.60 1f9n h ILE 45 N 0.52 0.91 0.00 0.35 2.04 -0.98 0.14 117.51 120.49 1f9n h ILE 45 Ca 0.26 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 1f9n h ILE 45 Cb 0.21 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 1f9n h ILE 45 CO -0.20 0.13 -0.54 0.50 0.00 0.00 0.00 178.15 178.05 1f9n h LYS 46 N 0.74 0.00 0.00 2.37 3.64 -0.88 -1.83 116.57 120.61 1f9n h LYS 46 Ca 0.37 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.59 1f9n h LYS 46 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1f9n h LYS 46 CO -0.24 0.54 -0.76 0.93 -2.27 0.00 0.00 179.45 177.65 1f9n h GLU 47 N 0.00 0.00 -0.01 1.90 5.08 0.06 -3.17 114.58 118.44 1f9n h GLU 47 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1f9n h GLU 47 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1f9n h GLU 47 CO 0.07 0.76 -0.41 1.28 -1.00 0.00 0.00 179.01 179.71 1f9n n LEU 48 N -3.35 0.95 -3.60 1.33 4.77 0.39 -4.97 117.00 112.52 1f9n n LEU 48 Ca 0.01 -0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 55.51 1f9n n LEU 48 Cb 0.82 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.84 1f9n n LEU 48 CO 0.44 0.19 0.18 1.41 -1.33 0.00 0.00 177.39 178.29 1f9n n HIS 49 N -0.93 -2.62 -1.32 -1.77 8.25 -0.73 -4.77 115.22 111.34 1f9n n HIS 49 Ca 0.09 0.98 -0.33 0.00 -0.26 0.00 0.00 57.72 58.20 1f9n n HIS 49 Cb 0.35 -4.90 0.10 0.00 1.12 0.00 0.00 29.99 26.67 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 -7.06 3.22 0.21 2.41 1.43 -0.94 -4.25 118.68 113.70 1f9n s LEU 50 Ca 0.43 2.25 0.02 0.00 -1.03 0.00 0.00 54.13 55.80 1f9n s LEU 50 Cb -0.20 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.40 1f9n s LEU 50 CO 0.75 -2.33 0.03 0.68 0.23 0.00 0.00 176.35 175.71 1f9n s VAL 51 N -2.21 0.71 -0.11 -1.59 -7.23 0.55 -4.94 120.40 105.57 1f9n s VAL 51 Ca 0.71 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1f9n s VAL 51 Cb -0.26 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1f9n s VAL 51 CO 0.48 -0.29 0.01 -0.54 -0.31 0.00 0.00 175.10 174.44 1f9n s LYS 52 N -3.94 3.28 0.01 4.82 -0.14 -1.26 0.05 119.74 122.56 1f9n s LYS 52 Ca 0.29 -0.41 0.03 0.00 -1.36 0.00 0.00 55.97 54.52 1f9n s LYS 52 Cb 0.07 -2.89 -0.01 0.00 -1.68 0.00 0.00 37.83 33.31 1f9n s LYS 52 CO 0.08 0.55 -0.10 0.14 -0.76 0.00 0.00 175.35 175.26 1f9n s VAL 53 N -0.46 0.79 0.40 3.17 -7.23 0.24 -4.88 120.40 112.43 1f9n s VAL 53 Ca 0.08 -0.66 -0.26 0.00 -1.81 0.00 0.00 61.98 59.33 1f9n s VAL 53 Cb -0.12 -0.71 -0.10 0.00 0.56 0.00 0.00 36.38 36.01 1f9n s VAL 53 CO 0.02 0.06 1.26 -2.65 -0.31 0.00 0.00 175.10 173.48 1f9n n PRO 54 N 2.37 1.95 -3.65 4.82 -0.02 -1.26 -0.89 135.00 138.32 1f9n n PRO 54 Ca -0.16 0.69 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1f9n n PRO 54 Cb 0.56 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1f9n n PRO 54 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1f9n n THR 55 N -0.09 0.00 0.00 3.45 -1.04 -0.58 -4.85 114.28 111.17 1f9n n THR 55 Ca 0.06 -1.79 0.00 0.00 -2.04 0.00 0.00 64.05 60.28 1f9n n THR 55 Cb 0.39 0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1f9n n THR 55 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1f9n n ASN 56 N -1.61 0.00 -4.18 8.00 3.02 -1.26 -4.61 115.26 114.61 1f9n n ASN 56 Ca -0.08 0.21 -0.23 0.00 -0.03 0.00 0.00 54.58 54.45 1f9n n ASN 56 Cb 0.50 -0.21 -0.09 0.00 -0.61 0.00 0.00 39.78 39.37 1f9n n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1f9n s ASN 57 N -2.40 2.35 0.00 6.41 3.04 -1.26 -5.01 114.94 118.08 1f9n s ASN 57 Ca 0.00 -1.56 -0.01 0.00 0.04 0.00 0.00 52.86 51.33 1f9n s ASN 57 Cb 0.00 0.32 -0.04 0.00 -1.54 0.00 0.00 41.25 39.99 1f9n s ASN 57 CO 0.00 -0.84 1.39 0.61 -3.04 0.00 0.00 177.10 175.22 1f9n n GLY 58 N -0.77 1.72 3.11 1.21 0.00 -1.26 -4.72 105.19 104.48 1f9n n GLY 58 Ca -0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 2.12 1.54 -0.03 1.61 1.04 -1.26 -5.05 113.70 113.68 1f9n s SER 59 Ca 0.10 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 1f9n s SER 59 Cb 0.05 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 1f9n s SER 59 CO 0.00 0.11 0.02 -0.31 0.98 0.00 0.00 173.24 174.04 1f9n s TYR 60 N -0.51 3.16 0.36 5.02 1.51 -1.26 -1.53 117.35 124.09 1f9n s TYR 60 Ca 0.03 0.15 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 1f9n s TYR 60 Cb -0.06 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 1f9n s TYR 60 CO 0.00 0.49 0.12 -1.59 -1.11 0.00 0.00 175.55 173.46 1f9n s LYS 61 N -1.40 2.25 0.53 -0.62 -2.85 -0.07 -4.39 119.74 113.19 1f9n s LYS 61 Ca 0.18 -1.69 -0.17 0.00 -1.00 0.00 0.00 55.97 53.30 1f9n s LYS 61 Cb -0.12 -2.05 -0.07 0.00 -2.06 0.00 0.00 37.83 33.53 1f9n s LYS 61 CO 0.09 0.05 1.01 0.71 0.10 0.00 0.00 175.35 177.31 1f9n s TYR 62 N -2.50 3.26 0.02 1.78 2.02 0.18 -0.59 117.35 121.53 1f9n s TYR 62 Ca 0.38 1.50 -0.28 0.00 -0.37 0.00 0.00 57.07 58.30 1f9n s TYR 62 Cb -0.00 -2.88 0.10 0.00 -0.40 0.00 0.00 41.96 38.77 1f9n s TYR 62 CO 0.22 -0.60 1.00 0.45 -1.57 0.00 0.00 175.55 175.05 1f9n s SER 63 N -2.82 -0.23 0.59 2.29 0.15 0.11 -4.77 113.70 109.01 1f9n s SER 63 Ca 0.61 -0.15 -0.16 0.00 0.70 0.00 0.00 55.95 56.95 1f9n s SER 63 Cb -0.12 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1f9n s SER 63 CO 0.30 -0.63 1.05 -0.76 1.20 0.00 0.00 173.24 174.40 1f9n s LEU 64 N -2.66 3.50 0.42 3.45 1.43 -1.26 -0.33 118.68 123.23 1f9n s LEU 64 Ca 0.09 1.78 0.11 0.00 -1.03 0.00 0.00 54.13 55.08 1f9n s LEU 64 Cb -0.00 -4.53 0.96 0.00 0.03 0.00 0.00 46.19 42.65 1f9n s LEU 64 CO -0.04 -1.09 2.01 -0.65 0.23 0.00 0.00 176.35 176.81 1f9n h PRO 65 N 0.47 0.45 0.00 1.29 0.11 -1.86 -1.95 132.00 130.51 1f9n h PRO 65 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1f9n h PRO 65 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1f9n h PRO 65 CO 0.58 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 1f9n n ALA 66 N -2.50 2.11 -1.77 -0.75 0.00 -1.26 -4.82 120.51 111.52 1f9n n ALA 66 Ca 0.07 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 1f9n n ALA 66 Cb 0.24 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1f9n n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f9n s ASP 67 N -1.85 6.16 0.16 0.00 -1.08 -0.73 -4.93 116.67 114.39 1f9n s ASP 67 Ca 0.19 2.84 -0.08 0.00 -0.52 0.00 0.00 52.55 54.98 1f9n s ASP 67 Cb 0.09 -2.65 0.01 0.00 -1.46 0.00 0.00 42.92 38.90 1f9n s ASP 67 CO 0.14 -0.98 1.46 1.56 0.52 0.00 0.00 175.17 177.88 1f9n h GLN 68 N 2.63 0.75 0.00 4.34 1.08 -1.90 -3.03 115.11 118.97 1f9n h GLN 68 Ca -0.50 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.24 1f9n h GLN 68 Cb 1.25 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1f9n h GLN 68 CO 0.62 1.09 0.00 0.54 -0.95 0.00 0.00 178.83 180.13 1f9n n ARG 69 N -3.99 0.38 -3.83 1.46 1.74 -1.26 -4.25 116.66 106.91 1f9n n ARG 69 Ca -0.04 0.03 -0.36 0.00 -0.77 0.00 0.00 57.85 56.71 1f9n n ARG 69 Cb 0.61 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.42 1f9n n ARG 69 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1f9n s PHE 70 N -2.09 3.05 -1.35 -1.55 5.36 -1.15 -4.70 117.98 115.55 1f9n s PHE 70 Ca 0.19 -0.55 -0.17 0.00 -0.96 0.00 0.00 56.93 55.44 1f9n s PHE 70 Cb 0.09 -2.19 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 1f9n s PHE 70 CO 0.16 -0.39 0.42 -1.71 -1.46 0.00 0.00 175.22 172.24 1f9n n ASN 71 N 4.81 -1.97 0.35 6.13 5.15 -1.26 -4.89 115.26 123.58 1f9n n ASN 71 Ca -0.17 -1.23 -0.17 0.00 -0.60 0.00 0.00 54.58 52.42 1f9n n ASN 71 Cb 0.51 -2.00 -0.08 0.00 -0.53 0.00 0.00 39.78 37.67 1f9n n ASN 71 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1f9n h PRO 72 N -2.17 -0.97 -0.62 1.20 0.11 -1.84 -2.53 132.00 125.19 1f9n h PRO 72 Ca -0.68 0.07 0.13 0.00 0.11 0.00 0.00 66.00 65.62 1f9n h PRO 72 Cb 1.40 0.22 -0.12 0.00 0.11 0.00 0.00 31.00 32.61 1f9n h PRO 72 CO 0.60 -0.64 -0.13 1.25 -0.21 0.00 0.00 178.00 178.86 1f9n h LEU 73 N -1.00 -0.52 -0.56 2.35 7.12 -1.90 -0.33 115.31 120.46 1f9n h LEU 73 Ca -0.09 0.18 -0.03 0.00 0.13 0.00 0.00 57.88 58.08 1f9n h LEU 73 Cb 0.81 0.36 -0.03 0.00 -0.53 0.00 0.00 40.66 41.28 1f9n h LEU 73 CO 0.07 -0.19 0.25 -1.28 -0.13 0.00 0.00 178.44 177.15 1f9n h SER 74 N 0.02 0.76 -0.49 1.25 0.87 -1.95 -2.13 113.55 111.88 1f9n h SER 74 Ca 0.30 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1f9n h SER 74 Cb 0.47 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1f9n h SER 74 CO -0.62 0.70 0.16 0.11 -0.53 0.00 0.00 176.83 176.65 1f9n h LYS 75 N 0.77 0.81 -0.46 2.24 1.57 -0.86 -2.77 116.57 117.87 1f9n h LYS 75 Ca 0.19 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1f9n h LYS 75 Cb 0.16 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1f9n h LYS 75 CO -0.02 0.71 0.17 1.25 -0.57 0.00 0.00 179.45 180.98 1f9n h LEU 76 N 0.79 0.66 -0.59 2.94 5.85 -0.72 -0.06 115.31 124.18 1f9n h LEU 76 Ca 0.18 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1f9n h LEU 76 Cb 0.24 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1f9n h LEU 76 CO -0.01 0.67 0.29 0.50 -0.34 0.00 0.00 178.44 179.55 1f9n h LYS 77 N 0.61 0.52 -0.19 1.25 3.64 -1.12 0.26 116.57 121.53 1f9n h LYS 77 Ca 0.15 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1f9n h LYS 77 Cb 0.23 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1f9n h LYS 77 CO -0.01 0.34 -0.07 0.00 -2.27 0.00 0.00 179.45 177.45 1f9n h ARG 78 N 0.54 0.38 -0.39 1.90 3.08 -1.31 -1.98 114.38 116.60 1f9n h ARG 78 Ca 0.28 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1f9n h ARG 78 Cb 0.23 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1f9n h ARG 78 CO -0.21 0.66 0.19 0.00 -1.07 0.00 0.00 179.97 179.54 1f9n h ALA 79 N 0.71 0.48 -0.58 0.04 0.00 -0.49 -2.24 119.26 117.18 1f9n h ALA 79 Ca 0.05 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1f9n h ALA 79 Cb 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1f9n h ALA 79 CO 0.02 -0.17 0.04 -0.07 0.00 0.00 0.00 179.25 179.07 1f9n h LEU 80 N 0.39 0.96 -1.45 0.00 3.38 -0.51 -0.23 115.31 117.85 1f9n h LEU 80 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1f9n h LEU 80 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1f9n h LEU 80 CO -0.12 1.01 0.37 0.24 0.09 0.00 0.00 178.44 180.03 1f9n h MET 81 N 0.88 0.73 0.00 1.13 2.86 -1.06 0.36 114.93 119.84 1f9n h MET 81 Ca 0.17 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 1f9n h MET 81 Cb 0.49 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1f9n h MET 81 CO 0.02 0.48 -1.26 -0.44 1.06 0.00 0.00 176.91 176.77 1f9n h ASP 82 N 0.75 0.00 0.00 1.22 3.32 -1.18 -3.41 116.42 117.12 1f9n h ASP 82 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1f9n h ASP 82 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1f9n h ASP 82 CO -0.04 0.43 -1.03 0.00 -1.72 0.00 0.00 179.24 176.87 1f9n n ALA 83 N -2.33 2.05 -1.65 3.45 0.00 -0.12 -4.94 120.51 116.96 1f9n n ALA 83 Ca -0.07 -0.03 -0.53 0.00 0.00 0.00 0.00 53.44 52.81 1f9n n ALA 83 Cb 0.76 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.53 1.86 -0.04 0.00 -0.00 0.13 -2.13 117.46 115.75 1f9n n PHE 84 Ca -0.00 0.51 -0.09 0.00 -0.00 0.00 0.00 57.45 57.87 1f9n n PHE 84 Cb 0.03 -2.43 -0.03 0.00 -0.00 0.00 0.00 39.48 37.05 1f9n n PHE 84 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1f9n n VAL 85 N 3.65 0.46 -3.51 -2.13 0.31 -0.46 -4.91 118.33 111.74 1f9n n VAL 85 Ca 0.22 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.29 1f9n n VAL 85 Cb 0.18 -1.53 -0.04 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.15 0.94 0.01 5.55 2.20 -0.96 -5.00 119.74 120.33 1f9n s LYS 86 Ca -0.12 0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1f9n s LYS 86 Cb 0.04 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.79 1f9n s LYS 86 CO 0.15 -0.34 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.30 1f9n s ILE 87 N -1.90 0.08 0.05 5.43 2.07 -1.26 0.08 121.20 125.75 1f9n s ILE 87 Ca -0.04 -0.70 -0.11 0.00 -1.41 0.00 0.00 60.65 58.39 1f9n s ILE 87 Cb -0.00 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.37 1f9n s ILE 87 CO 0.01 -0.38 0.25 -0.62 -1.91 0.00 0.00 174.94 172.28 1f9n s ASP 88 N -1.14 -0.03 -0.00 4.50 -1.08 -0.75 -5.00 116.67 113.16 1f9n s ASP 88 Ca -0.12 -0.32 -0.01 0.00 -0.52 0.00 0.00 52.55 51.57 1f9n s ASP 88 Cb -0.08 0.33 -0.00 0.00 -1.46 0.00 0.00 42.92 41.71 1f9n s ASP 88 CO -0.01 -0.61 0.03 -0.94 0.52 0.00 0.00 175.17 174.16 1f9n s SER 89 N -2.19 0.03 0.00 -0.34 1.04 -1.26 -0.79 113.70 110.19 1f9n s SER 89 Ca -0.04 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1f9n s SER 89 Cb -0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1f9n s SER 89 CO -0.05 -0.10 0.00 0.00 0.98 0.00 0.00 173.24 174.07 1f9n n ALA 90 N 2.62 0.00 -0.63 5.32 0.00 0.62 -5.01 120.51 123.43 1f9n n ALA 90 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1f9n n ALA 90 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.33 0.00 -0.00 0.00 3.41 -1.26 -3.82 113.62 111.62 1f9n n SER 91 Ca 0.00 0.28 0.05 0.00 -0.26 0.00 0.00 58.87 58.94 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 -0.72 0.00 -3.72 7.33 8.25 -1.26 -3.91 115.22 121.19 1f9n n HIS 92 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1f9n n HIS 92 Cb 0.00 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 30.95 1f9n n HIS 92 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1f9n s MET 93 N -2.30 3.60 -0.08 -0.41 1.00 -1.25 -1.25 119.30 118.61 1f9n s MET 93 Ca -0.00 -0.09 0.04 0.00 0.00 0.00 0.00 55.69 55.64 1f9n s MET 93 Cb 0.07 -2.97 0.00 0.00 0.00 0.00 0.00 34.83 31.93 1f9n s MET 93 CO 0.40 0.56 -0.22 0.42 0.00 0.00 0.00 175.02 176.18 1f9n s ILE 94 N -1.48 1.86 -0.34 2.53 1.01 0.01 -0.28 121.20 124.51 1f9n s ILE 94 Ca 0.35 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1f9n s ILE 94 Cb -0.13 -1.61 0.07 0.00 0.01 0.00 0.00 42.46 40.80 1f9n s ILE 94 CO 0.21 0.52 0.08 -0.69 0.00 0.00 0.00 174.94 175.06 1f9n s VAL 95 N 0.30 3.14 -0.24 2.92 1.01 0.03 -0.54 120.40 127.02 1f9n s VAL 95 Ca -0.15 -1.60 -0.07 0.00 0.00 0.00 0.00 61.98 60.16 1f9n s VAL 95 Cb -0.17 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1f9n s VAL 95 CO 0.07 -0.32 0.07 -0.22 0.00 0.00 0.00 175.10 174.70 1f9n s LEU 96 N 1.22 3.46 -0.14 3.92 2.96 -0.35 -1.80 118.68 127.95 1f9n s LEU 96 Ca -0.00 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 1f9n s LEU 96 Cb -0.21 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1f9n s LEU 96 CO -0.02 -0.02 0.24 -0.54 -1.32 0.00 0.00 176.35 174.70 1f9n s LYS 97 N 1.51 4.01 0.37 1.98 -0.14 0.11 -0.55 119.74 127.02 1f9n s LYS 97 Ca 0.06 0.03 0.04 0.00 -1.36 0.00 0.00 55.97 54.73 1f9n s LYS 97 Cb -0.15 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 1f9n s LYS 97 CO 0.04 0.44 0.12 0.95 -0.76 0.00 0.00 175.35 176.14 1f9n s THR 98 N -0.12 0.64 0.57 2.17 -4.23 -0.76 -1.35 115.64 112.57 1f9n s THR 98 Ca 0.16 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.47 1f9n s THR 98 Cb -0.13 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 1f9n s THR 98 CO 0.04 0.00 1.20 -0.04 -0.54 0.00 0.00 174.62 175.28 1f9n s MET 99 N -3.77 3.09 0.23 3.99 -1.94 -0.90 -4.68 119.30 115.32 1f9n s MET 99 Ca 0.29 1.81 -0.31 0.00 -1.71 0.00 0.00 55.69 55.77 1f9n s MET 99 Cb 0.04 -1.98 -0.13 0.00 2.01 0.00 0.00 34.83 34.77 1f9n s MET 99 CO 0.15 -1.11 1.43 -2.30 -0.01 0.00 0.00 175.02 173.19 1f9n n PRO 100 N -1.45 2.06 -1.30 2.03 -0.02 -1.26 -2.54 135.00 132.52 1f9n n PRO 100 Ca 0.13 0.74 -0.01 0.00 -2.02 0.00 0.00 63.50 62.33 1f9n n PRO 100 Cb 0.50 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.45 0.00 -1.23 0.00 -0.43 -4.90 105.19 101.33 1f9n n GLY 101 Ca 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 1.75 0.17 0.01 1.61 3.02 -1.05 -4.83 115.26 115.93 1f9n n ASN 102 Ca -0.02 -0.51 -0.12 0.00 -0.03 0.00 0.00 54.58 53.90 1f9n n ASN 102 Cb 0.17 0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.02 0.05 5.41 0.00 -1.72 -2.81 119.26 120.22 1f9n h ALA 103 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1f9n h ALA 103 Cb 0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1f9n h ALA 103 CO 0.00 -0.38 -0.47 0.37 0.00 0.00 0.00 179.25 178.77 1f9n h GLN 104 N -0.19 -0.64 0.29 0.00 4.15 -1.83 0.25 115.11 117.14 1f9n h GLN 104 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1f9n h GLN 104 Cb 0.22 0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1f9n h GLN 104 CO -0.00 -0.42 -0.51 0.00 -1.93 0.00 0.00 178.83 175.97 1f9n h ALA 105 N -0.26 -1.04 -0.85 3.38 0.00 -1.90 -1.33 119.26 117.26 1f9n h ALA 105 Ca 0.02 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.95 1f9n h ALA 105 Cb 0.70 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1f9n h ALA 105 CO -0.31 -1.14 0.56 0.82 0.00 0.00 0.00 179.25 179.18 1f9n h ILE 106 N -0.86 0.78 -0.40 0.00 2.04 -1.38 -0.88 117.51 116.81 1f9n h ILE 106 Ca -0.03 -0.18 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 1f9n h ILE 106 Cb 0.81 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1f9n h ILE 106 CO -0.19 0.09 -0.27 1.23 0.00 0.00 0.00 178.15 179.02 1f9n h GLY 107 N 0.52 0.93 1.15 5.37 0.00 -0.24 -2.71 103.07 108.09 1f9n h GLY 107 Ca 0.43 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1f9n h GLY 107 CO -0.17 0.77 -0.01 0.00 0.00 0.00 0.00 176.54 177.12 1f9n h ALA 108 N 0.96 0.88 -0.53 3.60 0.00 -0.07 -2.52 119.26 121.58 1f9n h ALA 108 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1f9n h ALA 108 Cb 0.82 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1f9n h ALA 108 CO 0.07 0.66 0.23 -0.07 0.00 0.00 0.00 179.25 180.14 1f9n h LEU 109 N 0.93 0.71 -1.41 0.00 3.38 -1.34 -2.47 115.31 115.09 1f9n h LEU 109 Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1f9n h LEU 109 Cb 0.56 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1f9n h LEU 109 CO 0.03 0.66 0.25 0.24 0.09 0.00 0.00 178.44 179.71 1f9n h MET 110 N 0.71 0.65 0.00 1.13 2.86 -1.33 -0.91 114.93 118.03 1f9n h MET 110 Ca 0.18 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1f9n h MET 110 Cb 0.16 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1f9n h MET 110 CO -0.02 0.49 0.00 -0.25 1.06 0.00 0.00 176.91 178.19 1f9n n ASP 111 N -4.41 0.00 -0.28 1.22 9.92 -0.94 -2.22 116.55 119.84 1f9n n ASP 111 Ca 0.04 0.22 0.03 0.00 -0.53 0.00 0.00 54.79 54.54 1f9n n ASP 111 Cb 0.10 -0.35 0.05 0.00 -0.64 0.00 0.00 41.12 40.28 1f9n n ASP 111 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1f9n n ASN 112 N -1.35 1.87 0.22 -2.24 3.02 -0.36 -4.59 115.26 111.82 1f9n n ASN 112 Ca 0.05 -1.53 0.08 0.00 -0.03 0.00 0.00 54.58 53.16 1f9n n ASN 112 Cb 0.12 -0.05 0.48 0.00 -0.61 0.00 0.00 39.78 39.73 1f9n n ASN 112 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1f9n h LEU 113 N 1.14 0.00 -1.59 3.41 3.38 -1.28 -3.48 115.31 116.89 1f9n h LEU 113 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1f9n h LEU 113 Cb 0.39 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.24 1f9n h LEU 113 CO 0.00 0.27 -0.45 -0.67 0.09 0.00 0.00 178.44 177.68 1f9n n ASP 114 N -3.66 -2.61 -4.39 -0.43 -0.08 -1.26 -5.01 116.55 99.11 1f9n n ASP 114 Ca -0.01 -0.36 -0.40 0.00 -1.51 0.00 0.00 54.79 52.51 1f9n n ASP 114 Cb 0.39 -3.25 -0.11 0.00 2.34 0.00 0.00 41.12 40.49 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 -3.21 3.22 0.65 -0.67 0.51 -1.26 -4.94 118.94 113.24 1f9n s TRP 115 Ca 0.08 -0.86 0.31 0.00 -2.12 0.00 0.00 56.10 53.51 1f9n s TRP 115 Cb -0.03 -2.40 1.66 0.00 -0.81 0.00 0.00 33.47 31.89 1f9n s TRP 115 CO 0.44 -0.59 1.95 0.22 -0.51 0.00 0.00 176.95 178.46 1f9n h ASP 116 N 8.40 0.00 -0.34 2.95 1.82 -2.02 0.11 116.42 127.34 1f9n h ASP 116 Ca -0.28 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.28 1f9n h ASP 116 Cb 1.12 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.11 1f9n h ASP 116 CO 0.65 0.00 -0.06 -0.33 -1.61 0.00 0.00 179.24 177.89 1f9n h GLU 117 N 0.00 0.75 -6.25 0.28 3.07 -1.94 -3.43 114.58 107.05 1f9n h GLU 117 Ca 0.03 -0.22 -0.55 0.00 -0.50 0.00 0.00 59.36 58.12 1f9n h GLU 117 Cb 0.67 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.47 1f9n h GLU 117 CO -0.00 0.79 0.18 -1.64 -1.40 0.00 0.00 179.01 176.95 1f9n s MET 118 N -4.88 4.50 -0.13 2.33 -1.94 0.40 -1.23 119.30 118.34 1f9n s MET 118 Ca -0.09 1.09 0.18 0.00 -1.71 0.00 0.00 55.69 55.16 1f9n s MET 118 Cb 0.14 -3.40 -0.25 0.00 2.01 0.00 0.00 34.83 33.32 1f9n s MET 118 CO 0.81 0.16 0.27 -1.33 -0.01 0.00 0.00 175.02 174.92 1f9n n MET 119 N 3.27 0.67 -3.60 2.03 2.81 0.80 -4.87 117.12 118.24 1f9n n MET 119 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1f9n n MET 119 Cb 0.51 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 1.60 -2.13 3.18 3.03 0.00 -1.21 -5.01 105.19 104.65 1f9n n GLY 120 Ca -0.24 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.07 0.01 -0.22 2.61 -4.23 -1.26 -1.89 115.64 108.59 1f9n s THR 121 Ca 0.00 -0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1f9n s THR 121 Cb 0.00 -0.45 0.02 0.00 1.34 0.00 0.00 72.50 73.42 1f9n s THR 121 CO 0.00 -0.06 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.27 1f9n s ILE 122 N -0.17 2.58 0.04 2.99 -1.09 -0.56 -4.95 121.20 120.03 1f9n s ILE 122 Ca -0.03 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.44 1f9n s ILE 122 Cb -0.03 -2.24 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 1f9n s ILE 122 CO 0.01 0.33 -0.04 0.00 -1.23 0.00 0.00 174.94 174.00 1f9n n GLY 124 N 1.17 1.77 0.06 0.00 0.00 -0.23 -4.96 105.19 103.01 1f9n n GLY 124 Ca -0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 2.15 -0.50 1.61 -0.08 -1.26 -4.10 116.55 114.37 1f9n n ASP 125 Ca 0.00 -0.02 0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1f9n n ASP 125 Cb 0.00 0.61 0.01 0.00 2.34 0.00 0.00 41.12 44.08 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 -2.54 0.17 -3.81 1.67 5.75 -1.26 -1.31 116.55 115.22 1f9n n ASP 126 Ca -0.21 -2.07 -0.12 0.00 -0.01 0.00 0.00 54.79 52.37 1f9n n ASP 126 Cb 0.88 -0.22 -0.12 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.19 0.01 -0.07 2.12 2.01 -1.26 -1.82 115.64 116.44 1f9n s THR 127 Ca 0.03 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1f9n s THR 127 Cb 0.03 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1f9n s THR 127 CO -0.00 -0.04 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.13 1f9n s ILE 128 N -0.07 1.14 -0.39 1.82 1.01 0.28 -1.06 121.20 123.92 1f9n s ILE 128 Ca -0.02 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1f9n s ILE 128 Cb -0.02 -1.04 0.05 0.00 0.01 0.00 0.00 42.46 41.46 1f9n s ILE 128 CO 0.01 0.36 0.23 -0.22 0.00 0.00 0.00 174.94 175.31 1f9n s LEU 129 N 0.66 4.90 -0.22 2.97 0.20 0.30 -1.21 118.68 126.27 1f9n s LEU 129 Ca -0.15 -1.19 -0.13 0.00 0.69 0.00 0.00 54.13 53.35 1f9n s LEU 129 Cb -0.16 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 1f9n s LEU 129 CO 0.04 -0.45 0.29 -0.63 -0.29 0.00 0.00 176.35 175.31 1f9n s ILE 130 N 1.51 5.27 -0.29 6.68 1.01 0.30 -1.50 121.20 134.18 1f9n s ILE 130 Ca 0.02 0.46 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 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 0.05 0.29 0.14 -0.63 0.00 0.00 0.00 174.94 174.79 1f9n s ILE 131 N 1.24 4.70 0.25 2.92 1.01 -0.79 -0.81 121.20 129.72 1f9n s ILE 131 Ca 0.14 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.65 1f9n s ILE 131 Cb -0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1f9n s ILE 131 CO 0.07 0.19 0.29 0.00 0.00 0.00 0.00 174.94 175.49 1f9n h ARG 133 N 1.30 0.40 -4.31 0.00 9.65 -1.46 -3.46 114.38 116.50 1f9n h ARG 133 Ca -0.50 -0.12 -0.15 0.00 -1.10 0.00 0.00 59.98 58.11 1f9n h ARG 133 Cb 1.24 -0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 29.62 1f9n h ARG 133 CO 0.61 0.55 -0.64 0.95 2.80 0.00 0.00 179.97 184.24 1f9n s THR 134 N -5.09 0.15 0.38 0.20 -4.23 -1.26 -5.01 115.64 100.78 1f9n s THR 134 Ca -0.14 -1.82 0.08 0.00 -1.18 0.00 0.00 61.69 58.63 1f9n s THR 134 Cb 0.07 -1.79 0.30 0.00 1.34 0.00 0.00 72.50 72.43 1f9n s THR 134 CO 0.74 -0.69 1.96 -0.65 -0.54 0.00 0.00 174.62 175.44 1f9n h PRO 135 N 2.97 0.62 -0.15 3.99 0.11 -1.91 0.94 132.00 138.58 1f9n h PRO 135 Ca -0.34 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.54 1f9n h PRO 135 Cb 1.17 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.15 1f9n h PRO 135 CO 0.62 0.41 -0.64 0.93 -0.21 0.00 0.00 178.00 179.11 1f9n h GLU 136 N 0.64 0.71 -0.08 1.05 3.07 -1.97 -2.50 114.58 115.50 1f9n h GLU 136 Ca 0.30 -0.55 -0.03 0.00 -0.50 0.00 0.00 59.36 58.57 1f9n h GLU 136 Cb 0.35 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1f9n h GLU 136 CO -0.10 1.17 -0.10 -0.44 -1.40 0.00 0.00 179.01 178.14 1f9n h ASP 137 N 0.40 0.11 -0.07 1.42 3.32 -1.67 -1.17 116.42 118.76 1f9n h ASP 137 Ca -0.04 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1f9n h ASP 137 Cb 1.27 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1f9n h ASP 137 CO 0.13 0.24 -0.02 0.74 -1.72 0.00 0.00 179.24 178.62 1f9n h THR 138 N 0.12 1.29 -0.07 0.35 2.02 -0.72 -1.06 112.91 114.83 1f9n h THR 138 Ca 0.03 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1f9n h THR 138 Cb 0.26 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1f9n h THR 138 CO 0.02 0.25 0.03 -0.33 0.37 0.00 0.00 175.52 175.86 1f9n h GLU 139 N -0.21 0.10 -0.01 6.66 4.39 -1.00 -1.45 114.58 123.06 1f9n h GLU 139 Ca 0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1f9n h GLU 139 Cb 0.41 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1f9n h GLU 139 CO 0.01 0.09 -0.02 0.78 -1.16 0.00 0.00 179.01 178.70 1f9n h GLY 140 N 0.16 0.03 1.61 -3.84 0.00 -0.94 -2.83 103.07 97.27 1f9n h GLY 140 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1f9n h GLY 140 CO -0.00 0.03 0.08 -2.08 0.00 0.00 0.00 176.54 174.57 1f9n h VAL 141 N -0.57 1.16 -0.15 4.60 2.07 -0.93 -0.52 116.25 121.92 1f9n h VAL 141 Ca -0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1f9n h VAL 141 Cb 0.62 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1f9n h VAL 141 CO 0.00 0.21 0.04 0.50 0.02 0.00 0.00 177.57 178.34 1f9n h LYS 142 N 0.49 0.23 -0.26 1.57 3.64 -1.30 -2.06 116.57 118.88 1f9n h LYS 142 Ca 0.12 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1f9n h LYS 142 Cb 0.19 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1f9n h LYS 142 CO -0.00 0.37 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.25 1f9n h ASN 143 N 0.06 0.63 0.08 4.20 2.35 -1.23 -2.36 115.58 119.31 1f9n h ASN 143 Ca 0.05 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 1f9n h ASN 143 Cb 0.23 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1f9n h ASN 143 CO -0.00 0.95 -0.14 -0.09 -1.65 0.00 0.00 177.43 176.50 1f9n h ARG 144 N 0.50 0.13 -0.03 0.81 2.43 -1.01 -1.35 114.38 115.85 1f9n h ARG 144 Ca 0.05 -0.03 -0.22 0.00 -0.81 0.00 0.00 59.98 58.97 1f9n h ARG 144 Cb 0.89 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1f9n h ARG 144 CO 0.08 0.28 -0.89 -0.07 -1.51 0.00 0.00 179.97 177.85 1f9n h LEU 145 N 0.12 0.63 -0.89 3.80 4.07 -1.08 -3.22 115.31 118.74 1f9n h LEU 145 Ca 0.03 -0.48 -0.12 0.00 0.08 0.00 0.00 57.88 57.39 1f9n h LEU 145 Cb 0.33 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1f9n h LEU 145 CO 0.02 1.26 -0.54 -0.07 -1.08 0.00 0.00 178.44 178.03 1f9n h LEU 146 N 0.30 0.04 -1.75 1.67 3.38 -0.89 -2.67 115.31 115.38 1f9n h LEU 146 Ca -0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1f9n h LEU 146 Cb 1.52 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1f9n h LEU 146 CO 0.16 0.57 -0.06 -0.33 0.09 0.00 0.00 178.44 178.87 1f9n h GLU 147 N 0.03 0.00 0.00 1.13 5.08 -1.28 -2.51 114.58 117.02 1f9n h GLU 147 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1f9n h GLU 147 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1f9n h GLU 147 CO 0.07 0.06 -0.39 -0.07 -1.00 0.00 0.00 179.01 177.68 1f9n h LEU 148 N 0.00 0.00 0.00 1.33 4.07 -1.51 -3.52 115.31 115.69 1f9n h LEU 148 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1f9n h LEU 148 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1f9n h LEU 148 CO 0.01 0.39 0.00 0.18 -1.08 0.00 0.00 178.44 177.94