#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9n h GLN 5 N 0.00 0.00 0.00 1.61 3.07 -2.07 -3.29 115.11 114.43 1f9n h GLN 5 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 1f9n h GLN 5 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 1f9n h GLN 5 CO 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 178.83 178.50 1f9n h ARG 6 N 0.00 0.00 0.00 0.06 3.08 -2.06 -2.17 114.38 113.29 1f9n h ARG 6 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1f9n h ARG 6 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 1f9n h ARG 6 CO 0.00 0.42 -0.09 0.45 -1.07 0.00 0.00 179.97 179.68 1f9n h HIS 7 N 0.00 0.00 -0.07 3.04 3.86 -2.00 -2.63 115.15 117.34 1f9n h HIS 7 Ca -0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 1f9n h HIS 7 Cb 0.77 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.25 1f9n h HIS 7 CO 0.00 0.09 -0.67 0.82 0.86 0.00 0.00 177.93 179.03 1f9n h ILE 8 N 0.00 1.35 -0.71 2.45 2.04 -1.57 -1.81 117.51 119.26 1f9n h ILE 8 Ca -0.00 -1.98 0.04 0.00 1.00 0.00 0.00 64.86 63.91 1f9n h ILE 8 Cb 0.51 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.83 1f9n h ILE 8 CO 0.01 0.60 0.44 0.11 0.00 0.00 0.00 178.15 179.31 1f9n h LYS 9 N 0.19 0.82 0.01 2.37 1.57 -1.43 -0.33 116.57 119.77 1f9n h LYS 9 Ca -0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1f9n h LYS 9 Cb 1.33 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1f9n h LYS 9 CO 0.14 0.54 -0.01 0.82 -0.57 0.00 0.00 179.45 180.37 1f9n h ILE 10 N 0.84 1.02 -1.00 1.86 2.04 -1.45 0.88 117.51 121.70 1f9n h ILE 10 Ca 0.29 -0.09 0.18 0.00 1.00 0.00 0.00 64.86 66.24 1f9n h ILE 10 Cb 0.05 1.08 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 1f9n h ILE 10 CO -0.12 0.02 0.62 0.03 0.00 0.00 0.00 178.15 178.70 1f9n h ARG 11 N -0.05 0.76 -0.28 2.37 3.08 -0.63 -0.24 114.38 119.38 1f9n h ARG 11 Ca -0.00 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1f9n h ARG 11 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1f9n h ARG 11 CO 0.00 0.50 -0.24 1.49 -1.07 0.00 0.00 179.97 180.65 1f9n h GLU 12 N 0.78 0.66 0.65 0.04 4.81 -0.33 -2.98 114.58 118.21 1f9n h GLU 12 Ca 0.57 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1f9n h GLU 12 Cb 0.86 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.26 1f9n h GLU 12 CO -0.36 0.94 -0.31 0.82 -0.73 0.00 0.00 179.01 179.36 1f9n h ILE 13 N 0.40 0.17 0.00 2.32 2.04 0.73 -2.44 117.51 120.73 1f9n h ILE 13 Ca 0.05 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1f9n h ILE 13 Cb 0.80 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1f9n h ILE 13 CO 0.06 0.02 0.00 2.30 0.00 0.00 0.00 178.15 180.53 1f9n n ILE 14 N -5.38 1.07 0.97 -0.67 -5.35 -0.26 -0.67 119.36 109.06 1f9n n ILE 14 Ca -0.12 0.63 0.11 0.00 -0.27 0.00 0.00 62.75 63.10 1f9n n ILE 14 Cb 0.37 -1.62 0.03 0.00 -1.74 0.00 0.00 39.64 36.67 1f9n n ILE 14 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1f9n n THR 15 N -2.20 0.00 -0.01 7.28 5.66 -1.13 -4.38 114.28 119.50 1f9n n THR 15 Ca -0.01 -0.34 -0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1f9n n THR 15 Cb 0.07 1.32 -0.03 0.00 -1.55 0.00 0.00 70.33 70.14 1f9n n THR 15 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1f9n n SER 16 N 0.38 4.17 -4.33 1.09 7.64 -0.11 -5.06 113.62 117.40 1f9n n SER 16 Ca 0.10 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.71 1f9n n SER 16 Cb 0.50 0.84 -0.08 0.00 -1.01 0.00 0.00 64.21 64.45 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 -2.98 3.10 -0.89 6.43 0.01 0.15 -5.09 114.94 115.68 1f9n s ASN 17 Ca -0.02 -1.62 -0.06 0.00 -0.71 0.00 0.00 52.86 50.46 1f9n s ASN 17 Cb 0.02 0.40 0.22 0.00 0.41 0.00 0.00 41.25 42.30 1f9n s ASN 17 CO 0.14 -0.86 0.79 -1.61 -1.51 0.00 0.00 177.10 174.06 1f9n s GLU 18 N -3.77 3.42 -0.55 -0.60 2.02 -1.26 -4.65 118.70 113.31 1f9n s GLU 18 Ca 0.21 -3.00 -0.28 0.00 0.02 0.00 0.00 54.97 51.92 1f9n s GLU 18 Cb 0.03 -4.14 0.03 0.00 0.10 0.00 0.00 34.13 30.16 1f9n s GLU 18 CO 0.12 -1.25 1.16 0.42 0.02 0.00 0.00 175.26 175.73 1f9n s ILE 19 N -0.85 4.10 -0.14 -1.63 1.09 -1.26 -4.89 121.20 117.61 1f9n s ILE 19 Ca 0.25 0.95 -0.17 0.00 -1.10 0.00 0.00 60.65 60.57 1f9n s ILE 19 Cb -0.11 -4.68 -0.24 0.00 -1.06 0.00 0.00 42.46 36.37 1f9n s ILE 19 CO -0.09 -1.23 0.43 -0.33 -0.10 0.00 0.00 174.94 173.62 1f9n h GLU 20 N 9.44 0.15 -6.34 2.79 5.08 -1.93 0.76 114.58 124.52 1f9n h GLU 20 Ca -0.24 -0.26 -0.60 0.00 -1.00 0.00 0.00 59.36 57.25 1f9n h GLU 20 Cb 1.06 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.29 1f9n h GLU 20 CO 1.16 1.12 -0.67 0.95 -1.00 0.00 0.00 179.01 180.58 1f9n s THR 21 N -2.43 3.61 0.26 1.13 -4.23 -1.26 -4.81 115.64 107.90 1f9n s THR 21 Ca -0.23 -1.51 0.30 0.00 -1.18 0.00 0.00 61.69 59.07 1f9n s THR 21 Cb 0.05 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 71.36 1f9n s THR 21 CO 0.71 -0.13 1.90 -0.61 -0.54 0.00 0.00 174.62 175.94 1f9n h GLN 22 N 2.67 0.00 0.02 3.99 4.15 -2.02 -1.80 115.11 122.12 1f9n h GLN 22 Ca -0.47 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 58.63 1f9n h GLN 22 Cb 1.21 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 1f9n h GLN 22 CO 0.57 0.00 -1.93 -0.25 -1.93 0.00 0.00 178.83 175.29 1f9n n ASP 23 N -2.61 0.99 0.29 -0.69 8.00 -1.26 -3.77 116.55 117.50 1f9n n ASP 23 Ca -0.02 0.27 0.15 0.00 0.71 0.00 0.00 54.79 55.90 1f9n n ASP 23 Cb 0.14 -0.02 0.87 0.00 -0.02 0.00 0.00 41.12 42.09 1f9n n ASP 23 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1f9n h GLU 24 N 0.01 0.00 0.01 -1.24 5.08 -1.73 0.22 114.58 116.93 1f9n h GLU 24 Ca -0.38 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.79 1f9n h GLU 24 Cb 2.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.29 1f9n h GLU 24 CO 0.06 0.04 -0.92 1.25 -1.00 0.00 0.00 179.01 178.44 1f9n h LEU 25 N 0.00 0.10 -0.05 1.33 5.85 -1.67 -2.22 115.31 118.65 1f9n h LEU 25 Ca -0.00 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.42 1f9n h LEU 25 Cb 0.12 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1f9n h LEU 25 CO 0.01 0.96 -0.78 0.58 -0.34 0.00 0.00 178.44 178.87 1f9n h VAL 26 N 0.03 1.33 0.00 1.05 2.07 -0.80 -1.66 116.25 118.28 1f9n h VAL 26 Ca -0.03 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.41 1f9n h VAL 26 Cb 1.59 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1f9n h VAL 26 CO 0.13 0.63 -0.06 0.44 0.02 0.00 0.00 177.57 178.73 1f9n h ASP 27 N 0.25 0.00 0.27 0.57 3.32 -0.80 -0.02 116.42 120.02 1f9n h ASP 27 Ca -0.08 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.63 1f9n h ASP 27 Cb 1.44 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.02 1f9n h ASP 27 CO 0.16 0.06 -1.56 -0.03 -1.72 0.00 0.00 179.24 176.14 1f9n h MET 28 N 0.00 0.46 -0.32 3.56 4.05 -1.31 -3.04 114.93 118.33 1f9n h MET 28 Ca -0.00 -0.79 -0.08 0.00 -0.28 0.00 0.00 59.70 58.55 1f9n h MET 28 Cb 0.56 0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1f9n h MET 28 CO 0.01 1.37 -0.10 -0.07 0.23 0.00 0.00 176.91 178.35 1f9n h LEU 29 N 0.13 0.65 -1.31 3.39 3.38 -1.02 -2.86 115.31 117.68 1f9n h LEU 29 Ca -0.28 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.40 1f9n h LEU 29 Cb 2.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 1f9n h LEU 29 CO 0.23 0.88 0.53 0.11 0.09 0.00 0.00 178.44 180.28 1f9n h LYS 30 N 0.42 0.77 0.00 1.13 1.57 -1.11 0.34 116.57 119.69 1f9n h LYS 30 Ca 0.08 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1f9n h LYS 30 Cb 0.61 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1f9n h LYS 30 CO 0.04 0.51 -0.08 1.96 -0.57 0.00 0.00 179.45 181.31 1f9n h GLN 31 N 0.80 0.00 -0.62 3.15 4.20 -1.38 -1.11 115.11 120.15 1f9n h GLN 31 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1f9n h GLN 31 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1f9n h GLN 31 CO -0.14 0.08 0.00 -3.47 -0.67 0.00 0.00 178.83 174.63 1f9n n ASP 32 N -3.53 5.30 -1.02 1.46 -0.08 0.03 -4.92 116.55 113.79 1f9n n ASP 32 Ca -0.02 -2.76 -0.10 0.00 -1.51 0.00 0.00 54.79 50.41 1f9n n ASP 32 Cb 0.21 -0.65 -0.02 0.00 2.34 0.00 0.00 41.12 43.00 1f9n n ASP 32 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1f9n n GLY 33 N 0.76 0.31 3.47 0.27 0.00 -0.42 -5.00 105.19 104.59 1f9n n GLY 33 Ca 0.26 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.45 3.20 -0.28 1.61 1.51 -0.74 -5.00 117.35 115.20 1f9n s TYR 34 Ca 0.00 -0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 55.31 1f9n s TYR 34 Cb 0.00 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.12 1f9n s TYR 34 CO 0.00 -0.64 1.13 0.21 -1.11 0.00 0.00 175.55 175.14 1f9n s LYS 35 N 1.92 4.11 0.15 -0.62 2.47 -1.26 -3.91 119.74 122.59 1f9n s LYS 35 Ca 0.09 1.24 -0.14 0.00 -1.56 0.00 0.00 55.97 55.60 1f9n s LYS 35 Cb -0.18 -3.74 0.02 0.00 -1.46 0.00 0.00 37.83 32.47 1f9n s LYS 35 CO 0.12 -0.85 0.39 0.54 0.16 0.00 0.00 175.35 175.71 1f9n s VAL 36 N 3.64 0.06 0.18 4.02 0.11 -1.26 -5.13 120.40 122.03 1f9n s VAL 36 Ca 0.48 -0.90 0.05 0.00 -2.93 0.00 0.00 61.98 58.68 1f9n s VAL 36 Cb -0.15 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 1f9n s VAL 36 CO 0.14 -0.28 0.20 0.42 -3.33 0.00 0.00 175.10 172.25 1f9n s THR 37 N -3.87 4.78 -0.85 5.04 -4.23 -1.26 -4.98 115.64 110.26 1f9n s THR 37 Ca 0.09 -1.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.73 1f9n s THR 37 Cb 0.02 -3.48 0.12 0.00 1.34 0.00 0.00 72.50 70.50 1f9n s THR 37 CO -0.06 -0.15 1.41 0.00 -0.54 0.00 0.00 174.62 175.28 1f9n n GLN 38 N -0.59 0.04 0.02 3.99 3.00 -1.26 -1.48 117.38 121.11 1f9n n GLN 38 Ca -0.08 0.37 0.11 0.00 -0.01 0.00 0.00 57.00 57.39 1f9n n GLN 38 Cb 0.55 -1.60 -0.05 0.00 0.00 0.00 0.00 30.24 29.14 1f9n n GLN 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1f9n n ALA 39 N -1.57 3.28 -0.06 -1.58 0.00 -1.26 -3.87 120.51 115.45 1f9n n ALA 39 Ca 0.02 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 52.85 1f9n n ALA 39 Cb 0.13 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 1f9n n ALA 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f9n h THR 40 N 0.00 1.44 -0.89 0.00 2.02 -1.65 -3.30 112.91 110.53 1f9n h THR 40 Ca 0.00 -2.33 0.09 0.00 0.77 0.00 0.00 66.41 64.95 1f9n h THR 40 Cb 0.82 2.97 -0.07 0.00 -1.74 0.00 0.00 68.15 70.12 1f9n h THR 40 CO 0.00 0.55 0.53 0.58 0.37 0.00 0.00 175.52 177.55 1f9n h VAL 41 N -0.86 0.94 -0.55 3.16 2.07 -1.71 0.85 116.25 120.15 1f9n h VAL 41 Ca -0.15 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 67.21 1f9n h VAL 41 Cb 1.23 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1f9n h VAL 41 CO -0.04 0.16 0.39 0.77 0.02 0.00 0.00 177.57 178.87 1f9n h SER 42 N 0.89 0.11 0.10 0.57 4.64 -1.69 -0.02 113.55 118.16 1f9n h SER 42 Ca 0.42 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.60 1f9n h SER 42 Cb 0.35 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1f9n h SER 42 CO -0.24 0.06 -0.65 -0.09 -0.87 0.00 0.00 176.83 175.05 1f9n h ARG 43 N 0.12 0.21 -0.74 4.77 2.43 -0.95 -3.24 114.38 116.98 1f9n h ARG 43 Ca 0.26 -0.36 0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1f9n h ARG 43 Cb 0.88 0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 30.48 1f9n h ARG 43 CO -0.03 1.17 0.33 -0.44 -1.51 0.00 0.00 179.97 179.49 1f9n h ASP 44 N -0.55 0.38 -0.95 -3.80 3.32 -0.33 0.60 116.42 115.09 1f9n h ASP 44 Ca -0.12 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.11 1f9n h ASP 44 Cb 1.47 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 1f9n h ASP 44 CO 0.10 0.18 0.61 0.40 -1.72 0.00 0.00 179.24 178.81 1f9n h ILE 45 N 0.52 0.97 -0.13 0.35 2.04 -1.13 0.18 117.51 120.31 1f9n h ILE 45 Ca 0.39 -0.33 -0.21 0.00 1.00 0.00 0.00 64.86 65.71 1f9n h ILE 45 Cb 0.51 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1f9n h ILE 45 CO -0.34 0.18 -0.75 0.11 0.00 0.00 0.00 178.15 177.35 1f9n h LYS 46 N 0.97 0.64 -0.40 2.37 1.57 -0.99 -2.41 116.57 118.32 1f9n h LYS 46 Ca 0.44 -0.51 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1f9n h LYS 46 Cb 0.39 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1f9n h LYS 46 CO -0.20 1.13 -0.20 0.93 -0.57 0.00 0.00 179.45 180.54 1f9n h GLU 47 N 0.44 0.78 -0.00 3.15 5.08 0.03 -2.46 114.58 121.60 1f9n h GLU 47 Ca -0.04 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1f9n h GLU 47 Cb 1.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1f9n h GLU 47 CO 0.14 0.91 -0.00 1.28 -1.00 0.00 0.00 179.01 180.35 1f9n n LEU 48 N -4.12 0.01 -2.45 1.33 4.77 0.52 -4.89 117.00 112.16 1f9n n LEU 48 Ca 0.00 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 1f9n n LEU 48 Cb 0.42 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1f9n n LEU 48 CO 0.44 0.00 -0.20 1.41 -1.33 0.00 0.00 177.39 177.71 1f9n n HIS 49 N -1.16 -1.24 -1.67 -1.77 8.25 -0.93 -4.83 115.22 111.87 1f9n n HIS 49 Ca 0.18 0.02 -0.39 0.00 -0.26 0.00 0.00 57.72 57.28 1f9n n HIS 49 Cb 0.19 -3.40 0.03 0.00 1.12 0.00 0.00 29.99 27.93 1f9n n HIS 49 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1f9n n LEU 50 N -2.96 4.21 0.00 2.41 4.77 -0.93 -4.46 117.00 120.05 1f9n n LEU 50 Ca -0.19 0.96 -0.27 0.00 -0.03 0.00 0.00 56.01 56.48 1f9n n LEU 50 Cb 0.65 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.20 1f9n n LEU 50 CO 0.24 -1.13 -0.18 1.33 -1.33 0.00 0.00 177.39 176.32 1f9n n VAL 51 N -1.00 0.00 -5.02 4.08 0.24 -0.26 -4.96 118.33 111.41 1f9n n VAL 51 Ca 0.11 -2.35 -0.29 0.00 -2.04 0.00 0.00 64.34 59.76 1f9n n VAL 51 Cb 0.44 0.73 -0.17 0.00 -1.47 0.00 0.00 33.84 33.37 1f9n n VAL 51 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1f9n s LYS 52 N -3.61 2.49 0.14 7.34 2.20 -1.26 -1.52 119.74 125.52 1f9n s LYS 52 Ca 0.14 -0.73 0.08 0.00 -0.36 0.00 0.00 55.97 55.10 1f9n s LYS 52 Cb 0.01 -1.97 -0.04 0.00 -1.51 0.00 0.00 37.83 34.32 1f9n s LYS 52 CO 0.10 0.18 -0.17 0.14 -0.36 0.00 0.00 175.35 175.24 1f9n s VAL 53 N 0.31 1.63 0.70 4.02 -7.23 -0.17 -4.87 120.40 114.79 1f9n s VAL 53 Ca -0.14 -1.76 -0.16 0.00 -1.81 0.00 0.00 61.98 58.12 1f9n s VAL 53 Cb -0.16 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.14 1f9n s VAL 53 CO 0.06 -0.29 1.21 -2.84 -0.31 0.00 0.00 175.10 172.94 1f9n s PRO 54 N -2.53 2.32 0.36 4.82 0.02 -1.26 -0.10 135.00 138.63 1f9n s PRO 54 Ca 0.11 1.79 0.09 0.00 0.02 0.00 0.00 61.00 63.01 1f9n s PRO 54 Cb -0.07 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 1f9n s PRO 54 CO 0.05 -1.70 0.03 0.99 -0.33 0.00 0.00 177.00 176.04 1f9n s THR 55 N -1.88 2.51 0.05 0.99 2.01 -1.22 -4.77 115.64 113.34 1f9n s THR 55 Ca 0.75 -1.94 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 1f9n s THR 55 Cb -0.30 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 1f9n s THR 55 CO 0.43 -0.15 1.26 0.78 -0.69 0.00 0.00 174.62 176.24 1f9n h ASN 56 N 1.76 -0.73 -3.39 3.53 4.21 -1.97 -3.41 115.58 115.58 1f9n h ASN 56 Ca -0.43 0.08 -0.56 0.00 1.21 0.00 0.00 56.30 56.60 1f9n h ASN 56 Cb 1.25 0.27 -0.38 0.00 -1.12 0.00 0.00 38.32 38.34 1f9n h ASN 56 CO 0.69 -0.26 -0.79 0.21 -1.29 0.00 0.00 177.43 175.99 1f9n s ASN 57 N -3.45 3.06 0.00 5.81 2.47 -1.26 -5.05 114.94 116.52 1f9n s ASN 57 Ca -0.08 -0.79 0.00 0.00 0.42 0.00 0.00 52.86 52.41 1f9n s ASN 57 Cb 0.03 -0.94 0.00 0.00 -1.45 0.00 0.00 41.25 38.89 1f9n s ASN 57 CO 0.28 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.06 1f9n n GLY 58 N 4.85 0.23 3.21 1.21 0.00 -1.26 -5.09 105.19 108.34 1f9n n GLY 58 Ca -0.12 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 1f9n n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f9n n SER 59 N 0.00 1.39 -3.79 1.61 7.64 -1.26 -4.76 113.62 114.45 1f9n n SER 59 Ca 0.00 -2.08 -0.29 0.00 1.01 0.00 0.00 58.87 57.50 1f9n n SER 59 Cb 0.00 -0.45 0.22 0.00 -1.01 0.00 0.00 64.21 62.97 1f9n n SER 59 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1f9n n TYR 60 N -2.35 -3.97 -4.11 1.43 4.02 -1.26 -3.42 117.16 107.50 1f9n n TYR 60 Ca 0.14 -1.11 -0.14 0.00 -0.01 0.00 0.00 57.90 56.77 1f9n n TYR 60 Cb 0.49 -1.06 -0.05 0.00 -0.02 0.00 0.00 39.34 38.70 1f9n n TYR 60 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1f9n s LYS 61 N -5.77 1.77 0.06 -0.72 -2.85 0.86 -4.60 119.74 108.49 1f9n s LYS 61 Ca 0.74 -1.70 -0.17 0.00 -1.00 0.00 0.00 55.97 53.83 1f9n s LYS 61 Cb -0.04 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 36.09 1f9n s LYS 61 CO 0.53 -0.71 0.52 0.71 0.10 0.00 0.00 175.35 176.50 1f9n s TYR 62 N -3.34 3.76 0.31 1.78 2.02 0.26 -1.00 117.35 121.13 1f9n s TYR 62 Ca 0.31 1.16 -0.19 0.00 -0.37 0.00 0.00 57.07 57.99 1f9n s TYR 62 Cb 0.01 -2.42 0.05 0.00 -0.40 0.00 0.00 41.96 39.20 1f9n s TYR 62 CO 0.19 0.58 0.84 0.45 -1.57 0.00 0.00 175.55 176.04 1f9n s SER 63 N -1.19 -0.06 0.48 2.29 0.15 -0.58 -4.70 113.70 110.10 1f9n s SER 63 Ca 0.29 -0.90 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1f9n s SER 63 Cb -0.18 0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1f9n s SER 63 CO 0.17 -1.43 0.76 -0.76 1.20 0.00 0.00 173.24 173.18 1f9n s LEU 64 N -3.10 3.58 0.26 3.45 1.02 -1.26 -1.10 118.68 121.53 1f9n s LEU 64 Ca 0.16 0.66 -0.02 0.00 0.02 0.00 0.00 54.13 54.96 1f9n s LEU 64 Cb -0.04 -3.56 0.50 0.00 0.02 0.00 0.00 46.19 43.11 1f9n s LEU 64 CO 0.09 -0.69 1.78 -0.65 0.02 0.00 0.00 176.35 176.90 1f9n h PRO 65 N 0.23 0.69 0.00 1.29 0.11 -1.88 -1.82 132.00 130.62 1f9n h PRO 65 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1f9n h PRO 65 Cb 1.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1f9n h PRO 65 CO 0.60 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 1f9n n ALA 66 N -2.40 1.24 -1.66 -0.75 0.00 -1.26 -4.78 120.51 110.91 1f9n n ALA 66 Ca 0.16 0.08 -0.45 0.00 0.00 0.00 0.00 53.44 53.24 1f9n n ALA 66 Cb 0.38 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.92 2.44 0.26 0.00 -0.08 -0.69 -4.87 116.55 111.69 1f9n n ASP 67 Ca 0.00 1.16 0.15 0.00 -1.51 0.00 0.00 54.79 54.59 1f9n n ASP 67 Cb 0.08 -1.40 0.55 0.00 2.34 0.00 0.00 41.12 42.70 1f9n n ASP 67 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1f9n h GLN 68 N 3.65 0.00 -0.02 -0.67 4.20 -1.90 -2.87 115.11 117.50 1f9n h GLN 68 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1f9n h GLN 68 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1f9n h GLN 68 CO 0.72 0.05 0.00 0.54 -0.67 0.00 0.00 178.83 179.47 1f9n n ARG 69 N -3.16 1.19 -3.81 1.46 1.74 -1.26 -4.18 116.66 108.65 1f9n n ARG 69 Ca 0.01 -0.28 -0.37 0.00 -0.77 0.00 0.00 57.85 56.45 1f9n n ARG 69 Cb 0.37 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.98 3.16 -1.06 -1.55 5.36 -1.09 -4.68 117.98 116.14 1f9n s PHE 70 Ca 0.39 -1.22 -0.14 0.00 -0.96 0.00 0.00 56.93 55.00 1f9n s PHE 70 Cb 0.19 -2.21 -0.02 0.00 -0.34 0.00 0.00 43.02 40.64 1f9n s PHE 70 CO 0.31 -0.65 0.80 0.09 -1.46 0.00 0.00 175.22 174.32 1f9n n ASN 71 N 4.80 -5.86 0.18 6.13 5.03 -1.26 -4.82 115.26 119.47 1f9n n ASN 71 Ca -0.14 -0.85 -0.14 0.00 0.87 0.00 0.00 54.58 54.31 1f9n n ASN 71 Cb 0.47 -3.87 -0.07 0.00 -1.02 0.00 0.00 39.78 35.28 1f9n n ASN 71 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1f9n h PRO 72 N -1.39 -0.41 -0.83 3.52 0.11 -1.84 -1.32 132.00 129.84 1f9n h PRO 72 Ca -0.59 0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.65 1f9n h PRO 72 Cb 1.32 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.45 1f9n h PRO 72 CO 0.45 -0.27 0.48 1.25 -0.21 0.00 0.00 178.00 179.69 1f9n h LEU 73 N -0.43 0.68 -1.34 2.35 5.85 -1.91 0.75 115.31 121.26 1f9n h LEU 73 Ca -0.03 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1f9n h LEU 73 Cb 0.35 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1f9n h LEU 73 CO 0.03 0.39 0.16 -1.28 -0.34 0.00 0.00 178.44 177.41 1f9n h SER 74 N 0.80 0.55 0.13 1.25 0.87 -1.85 -0.28 113.55 115.02 1f9n h SER 74 Ca 0.40 -0.06 -0.26 0.00 -1.23 0.00 0.00 61.79 60.63 1f9n h SER 74 Cb 0.36 -0.14 0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1f9n h SER 74 CO -0.24 0.51 -1.11 0.11 -0.53 0.00 0.00 176.83 175.56 1f9n h LYS 75 N 0.61 0.53 -0.54 2.24 1.57 0.21 -3.07 116.57 118.11 1f9n h LYS 75 Ca 0.15 -0.74 0.02 0.00 -1.87 0.00 0.00 60.65 58.21 1f9n h LYS 75 Cb 0.14 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1f9n h LYS 75 CO -0.01 1.33 0.36 1.25 -0.57 0.00 0.00 179.45 181.81 1f9n h LEU 76 N 0.09 0.57 -0.01 2.94 5.85 0.82 -1.23 115.31 124.33 1f9n h LEU 76 Ca -0.18 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1f9n h LEU 76 Cb 1.82 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 1f9n h LEU 76 CO 0.21 0.40 -0.01 0.50 -0.34 0.00 0.00 178.44 179.21 1f9n h LYS 77 N 0.67 0.03 -0.28 1.25 3.64 -1.10 -2.20 116.57 118.57 1f9n h LYS 77 Ca 0.21 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1f9n h LYS 77 Cb 0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1f9n h LYS 77 CO -0.05 0.43 0.18 0.00 -2.27 0.00 0.00 179.45 177.74 1f9n h ARG 78 N -0.38 0.35 -0.55 1.90 3.08 -1.38 -1.94 114.38 115.47 1f9n h ARG 78 Ca 0.00 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1f9n h ARG 78 Cb 0.42 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1f9n h ARG 78 CO 0.00 0.23 0.32 0.00 -1.07 0.00 0.00 179.97 179.45 1f9n h ALA 79 N 1.11 0.71 -0.53 0.04 0.00 -1.27 -2.71 119.26 116.62 1f9n h ALA 79 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1f9n h ALA 79 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1f9n h ALA 79 CO -0.03 0.01 0.01 -0.07 0.00 0.00 0.00 179.25 179.17 1f9n h LEU 80 N 0.62 0.85 -0.98 0.00 3.38 -1.16 -0.40 115.31 117.61 1f9n h LEU 80 Ca 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1f9n h LEU 80 Cb 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1f9n h LEU 80 CO -0.12 0.91 0.00 0.24 0.09 0.00 0.00 178.44 179.56 1f9n h MET 81 N 0.82 0.00 0.00 1.13 2.86 -1.05 0.15 114.93 118.84 1f9n h MET 81 Ca 0.16 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.48 1f9n h MET 81 Cb 0.47 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 1f9n h MET 81 CO 0.02 0.00 -2.20 -0.25 1.06 0.00 0.00 176.91 175.54 1f9n n ASP 82 N -2.36 0.85 0.00 1.22 8.00 -0.86 -4.73 116.55 118.67 1f9n n ASP 82 Ca 0.01 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1f9n n ASP 82 Cb 0.20 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1f9n n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f9n n ALA 83 N -2.69 2.25 -1.72 2.24 0.00 -0.22 -4.97 120.51 115.39 1f9n n ALA 83 Ca -0.29 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.32 1f9n n ALA 83 Cb 1.05 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.08 2.38 0.00 0.00 7.35 0.51 -1.72 117.46 125.90 1f9n n PHE 84 Ca 0.00 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1f9n n PHE 84 Cb 0.02 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.43 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 -0.07 0.00 -3.62 -2.13 0.31 -0.75 -4.83 118.33 107.24 1f9n n VAL 85 Ca 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.32 1f9n n VAL 85 Cb 0.40 -0.14 -0.05 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.25 0.32 0.01 5.55 2.20 -0.98 -4.99 119.74 120.60 1f9n s LYS 86 Ca 0.00 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.76 1f9n s LYS 86 Cb 0.00 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1f9n s LYS 86 CO 0.00 -0.09 -0.06 -1.50 -0.36 0.00 0.00 175.35 173.34 1f9n s ILE 87 N -0.81 0.42 0.02 5.43 2.07 -1.26 0.13 121.20 127.20 1f9n s ILE 87 Ca 0.04 -0.54 -0.27 0.00 -1.41 0.00 0.00 60.65 58.47 1f9n s ILE 87 Cb -0.02 -0.42 0.06 0.00 0.13 0.00 0.00 42.46 42.22 1f9n s ILE 87 CO -0.05 -0.09 0.62 -0.62 -1.91 0.00 0.00 174.94 172.89 1f9n s ASP 88 N -0.69 -0.58 0.18 4.50 2.15 -0.96 -5.01 116.67 116.26 1f9n s ASP 88 Ca -0.03 0.42 -0.00 0.00 0.43 0.00 0.00 52.55 53.36 1f9n s ASP 88 Cb -0.05 0.54 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 1f9n s ASP 88 CO -0.00 -0.71 0.09 -0.94 -0.17 0.00 0.00 175.17 173.44 1f9n s SER 89 N -1.72 0.44 0.00 -0.34 1.04 -1.26 0.22 113.70 112.07 1f9n s SER 89 Ca -0.07 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1f9n s SER 89 Cb -0.01 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1f9n s SER 89 CO 0.02 -0.76 0.00 0.00 0.98 0.00 0.00 173.24 173.48 1f9n n ALA 90 N -0.23 0.00 -0.58 5.32 0.00 0.34 -4.99 120.51 120.38 1f9n n ALA 90 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1f9n n ALA 90 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.26 0.00 3.41 -1.26 -3.66 113.62 111.85 1f9n n SER 91 Ca 0.00 0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.84 1f9n n SER 91 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.49 0.00 -4.23 7.33 8.25 -1.26 -3.35 115.22 121.47 1f9n n HIS 92 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1f9n n HIS 92 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.32 2.51 -0.05 -0.41 0.00 -1.24 0.17 119.30 118.96 1f9n s MET 93 Ca 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 55.69 54.52 1f9n s MET 93 Cb 0.08 -2.31 0.02 0.00 0.00 0.00 0.00 34.83 32.63 1f9n s MET 93 CO 0.24 0.39 -0.03 0.42 0.00 0.00 0.00 175.02 176.04 1f9n s ILE 94 N -2.20 0.44 -0.38 3.16 1.01 -0.20 -0.50 121.20 122.52 1f9n s ILE 94 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 1f9n s ILE 94 Cb -0.07 -0.51 0.06 0.00 0.01 0.00 0.00 42.46 41.95 1f9n s ILE 94 CO 0.21 0.22 0.18 -0.69 0.00 0.00 0.00 174.94 174.86 1f9n s VAL 95 N 1.14 3.96 -0.28 2.92 1.01 0.13 -0.92 120.40 128.36 1f9n s VAL 95 Ca -0.08 -1.31 -0.11 0.00 0.00 0.00 0.00 61.98 60.49 1f9n s VAL 95 Cb -0.14 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1f9n s VAL 95 CO -0.01 -0.36 0.19 -0.22 0.00 0.00 0.00 175.10 174.70 1f9n s LEU 96 N 1.40 4.02 -0.13 3.92 2.96 -0.49 -2.26 118.68 128.09 1f9n s LEU 96 Ca 0.01 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.85 1f9n s LEU 96 Cb -0.21 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1f9n s LEU 96 CO 0.02 -0.05 0.07 -0.54 -1.32 0.00 0.00 176.35 174.53 1f9n s LYS 97 N 1.76 3.52 0.29 1.98 1.02 0.12 -0.28 119.74 128.15 1f9n s LYS 97 Ca 0.07 -0.28 0.04 0.00 0.02 0.00 0.00 55.97 55.82 1f9n s LYS 97 Cb -0.16 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1f9n s LYS 97 CO 0.11 0.57 0.14 0.25 -0.92 0.00 0.00 175.35 175.50 1f9n n THR 98 N 2.61 0.00 -1.45 2.17 -2.24 -0.05 -1.81 114.28 113.51 1f9n n THR 98 Ca -0.18 -1.82 -0.32 0.00 -2.27 0.00 0.00 64.05 59.45 1f9n n THR 98 Cb 0.54 0.73 0.08 0.00 -2.10 0.00 0.00 70.33 69.58 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 -3.14 2.34 0.15 -0.78 -1.94 -0.70 -4.73 119.30 110.49 1f9n s MET 99 Ca 0.20 1.42 -0.32 0.00 -1.71 0.00 0.00 55.69 55.28 1f9n s MET 99 Cb 0.01 -1.89 -0.12 0.00 2.01 0.00 0.00 34.83 34.84 1f9n s MET 99 CO 0.14 -1.61 1.76 -2.30 -0.01 0.00 0.00 175.02 173.00 1f9n n PRO 100 N -2.96 2.66 -0.96 2.03 -0.02 -1.26 -2.40 135.00 132.09 1f9n n PRO 100 Ca 0.11 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1f9n n PRO 100 Cb 0.52 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 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 4.03 0.45 0.00 -1.23 0.00 -0.23 -4.92 105.19 103.30 1f9n n GLY 101 Ca 0.17 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 1.18 0.32 0.38 1.61 4.13 -1.01 -4.74 115.26 117.13 1f9n n ASN 102 Ca 0.00 -0.66 -0.18 0.00 1.68 0.00 0.00 54.58 55.42 1f9n n ASN 102 Cb 0.00 0.98 -0.09 0.00 -1.54 0.00 0.00 39.78 39.13 1f9n n ASN 102 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f9n h ALA 103 N 0.90 -0.93 -0.76 5.41 0.00 -1.74 -2.95 119.26 119.19 1f9n h ALA 103 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1f9n h ALA 103 Cb 0.15 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.18 1f9n h ALA 103 CO 0.00 -1.01 -0.49 1.96 0.00 0.00 0.00 179.25 179.71 1f9n h GLN 104 N -0.95 -0.13 -0.37 0.00 1.08 -1.84 0.57 115.11 113.47 1f9n h GLN 104 Ca -0.09 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1f9n h GLN 104 Cb 0.72 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1f9n h GLN 104 CO 0.16 -0.09 0.14 0.00 -0.95 0.00 0.00 178.83 178.08 1f9n h ALA 105 N 0.65 0.44 -0.93 3.87 0.00 -1.88 -2.02 119.26 119.40 1f9n h ALA 105 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1f9n h ALA 105 Cb 0.53 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1f9n h ALA 105 CO -0.81 -0.25 0.55 0.82 0.00 0.00 0.00 179.25 179.56 1f9n h ILE 106 N 0.30 1.26 -0.50 0.00 2.04 -1.08 -2.20 117.51 117.32 1f9n h ILE 106 Ca 0.17 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1f9n h ILE 106 Cb 0.14 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1f9n h ILE 106 CO -0.17 0.28 0.15 1.23 0.00 0.00 0.00 178.15 179.64 1f9n h GLY 107 N 1.29 0.84 1.01 5.37 0.00 -0.50 -2.56 103.07 108.53 1f9n h GLY 107 Ca 0.33 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1f9n h GLY 107 CO -0.06 0.47 0.52 0.00 0.00 0.00 0.00 176.54 177.48 1f9n h ALA 108 N 1.01 1.10 -0.19 3.60 0.00 -1.09 -2.75 119.26 120.94 1f9n h ALA 108 Ca 0.16 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1f9n h ALA 108 Cb 0.29 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1f9n h ALA 108 CO -0.00 0.56 0.06 -0.07 0.00 0.00 0.00 179.25 179.80 1f9n h LEU 109 N 1.19 0.07 -2.23 0.00 4.07 -1.17 -1.51 115.31 115.73 1f9n h LEU 109 Ca 0.31 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1f9n h LEU 109 Cb -0.05 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1f9n h LEU 109 CO -0.06 0.07 0.00 0.24 -1.08 0.00 0.00 178.44 177.61 1f9n h MET 110 N 0.16 0.00 0.00 1.13 2.86 -1.18 0.09 114.93 117.99 1f9n h MET 110 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1f9n h MET 110 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1f9n h MET 110 CO -0.09 0.00 -0.17 -3.47 1.06 0.00 0.00 176.91 174.25 1f9n n ASP 111 N -2.79 0.19 -0.03 1.22 -0.08 -0.58 -3.50 116.55 110.98 1f9n n ASP 111 Ca -0.02 0.26 -0.15 0.00 -1.51 0.00 0.00 54.79 53.37 1f9n n ASP 111 Cb 0.10 -0.26 -0.14 0.00 2.34 0.00 0.00 41.12 43.16 1f9n n ASP 111 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1f9n n ASN 112 N -1.53 1.41 0.28 1.67 3.02 0.01 -3.81 115.26 116.30 1f9n n ASN 112 Ca 0.06 0.24 0.13 0.00 -0.03 0.00 0.00 54.58 54.99 1f9n n ASN 112 Cb 0.34 -0.32 0.79 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.03 0.00 -3.63 3.41 3.38 -1.58 -3.47 115.31 113.45 1f9n h LEU 113 Ca -0.39 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.11 1f9n h LEU 113 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1f9n h LEU 113 CO 0.06 0.07 -0.97 -0.67 0.09 0.00 0.00 178.44 177.02 1f9n n ASP 114 N -3.77 -5.01 -4.73 -0.43 2.03 -1.23 -4.93 116.55 98.48 1f9n n ASP 114 Ca -0.02 -0.95 -0.39 0.00 0.52 0.00 0.00 54.79 53.94 1f9n n ASP 114 Cb 0.17 -2.09 -0.05 0.00 -0.72 0.00 0.00 41.12 38.43 1f9n n ASP 114 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1f9n s TRP 115 N -3.12 3.60 0.27 -0.67 0.51 -1.26 -4.97 118.94 113.30 1f9n s TRP 115 Ca 0.12 1.21 -0.01 0.00 -2.12 0.00 0.00 56.10 55.30 1f9n s TRP 115 Cb -0.06 -2.74 0.47 0.00 -0.81 0.00 0.00 33.47 30.33 1f9n s TRP 115 CO 0.90 0.16 1.86 -0.44 -0.51 0.00 0.00 176.95 178.91 1f9n h ASP 116 N 6.46 0.97 0.00 2.95 3.32 -2.01 -1.80 116.42 126.31 1f9n h ASP 116 Ca -0.42 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1f9n h ASP 116 Cb 1.20 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1f9n h ASP 116 CO 0.74 0.57 0.25 -0.33 -1.72 0.00 0.00 179.24 178.75 1f9n h GLU 117 N 1.08 0.00 -5.74 3.56 3.07 -1.94 -3.41 114.58 111.20 1f9n h GLU 117 Ca 0.46 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.72 1f9n h GLU 117 Cb 0.32 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.15 1f9n h GLU 117 CO -0.22 0.00 -0.26 -1.64 -1.40 0.00 0.00 179.01 175.49 1f9n s MET 118 N -3.93 4.06 -0.23 2.33 -1.94 -0.68 -1.61 119.30 117.30 1f9n s MET 118 Ca -0.03 0.25 -0.11 0.00 -1.71 0.00 0.00 55.69 54.09 1f9n s MET 118 Cb 0.08 -3.33 -0.17 0.00 2.01 0.00 0.00 34.83 33.42 1f9n s MET 118 CO 0.26 0.45 -0.06 -1.33 -0.01 0.00 0.00 175.02 174.34 1f9n n MET 119 N 2.76 0.63 -3.82 2.03 2.81 0.05 -4.91 117.12 116.67 1f9n n MET 119 Ca -0.13 0.32 -0.01 0.00 -1.81 0.00 0.00 57.70 56.08 1f9n n MET 119 Cb 0.52 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 1f9n n MET 119 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1f9n s GLY 120 N -5.56 -0.13 -0.01 3.03 0.00 -1.22 -5.04 107.32 98.39 1f9n s GLY 120 Ca -0.33 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 1f9n s GLY 120 CO 0.59 2.05 0.05 -0.51 0.00 0.00 0.00 173.10 175.27 1f9n s THR 121 N -2.42 0.04 -0.25 0.90 -4.23 -1.26 -1.28 115.64 107.13 1f9n s THR 121 Ca 0.20 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1f9n s THR 121 Cb -0.00 -0.18 0.05 0.00 1.34 0.00 0.00 72.50 73.71 1f9n s THR 121 CO 0.01 -0.18 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.17 1f9n s ILE 122 N -0.55 2.27 -0.23 2.99 -1.09 0.41 -4.93 121.20 120.06 1f9n s ILE 122 Ca -0.06 -1.48 -0.10 0.00 -2.23 0.00 0.00 60.65 56.77 1f9n s ILE 122 Cb -0.04 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 1f9n s ILE 122 CO 0.00 0.06 0.15 0.00 -1.23 0.00 0.00 174.94 173.92 1f9n n GLY 124 N 4.17 1.53 0.08 0.00 0.00 0.32 -4.91 105.19 106.38 1f9n n GLY 124 Ca -0.15 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.19 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 0.21 -0.30 1.61 -0.08 -1.26 -4.28 116.55 112.44 1f9n n ASP 125 Ca 0.00 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1f9n n ASP 125 Cb 0.00 1.01 0.00 0.00 2.34 0.00 0.00 41.12 44.47 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 -2.68 0.00 -3.81 1.67 5.75 -1.26 -1.07 116.55 115.15 1f9n n ASP 126 Ca -0.21 -1.53 -0.13 0.00 -0.01 0.00 0.00 54.79 52.91 1f9n n ASP 126 Cb 0.96 -0.11 -0.14 0.00 -1.03 0.00 0.00 41.12 40.80 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 0.00 -0.03 -0.12 2.12 2.01 -1.26 -0.87 115.64 117.49 1f9n s THR 127 Ca 0.00 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1f9n s THR 127 Cb 0.00 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.40 1f9n s THR 127 CO 0.00 0.04 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.12 1f9n s ILE 128 N 0.55 2.12 -0.35 1.82 1.01 0.61 0.12 121.20 127.07 1f9n s ILE 128 Ca -0.04 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.51 1f9n s ILE 128 Cb -0.06 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1f9n s ILE 128 CO -0.02 0.55 0.21 -0.22 0.00 0.00 0.00 174.94 175.47 1f9n s LEU 129 N 0.61 4.55 -0.33 2.97 0.20 0.15 -1.39 118.68 125.43 1f9n s LEU 129 Ca -0.12 -0.69 -0.10 0.00 0.69 0.00 0.00 54.13 53.91 1f9n s LEU 129 Cb -0.17 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.53 1f9n s LEU 129 CO 0.03 -0.30 0.18 -0.63 -0.29 0.00 0.00 176.35 175.34 1f9n s ILE 130 N 1.64 4.68 -0.26 6.68 1.01 -0.10 -0.45 121.20 134.40 1f9n s ILE 130 Ca 0.04 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 1f9n s ILE 130 Cb -0.18 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1f9n s ILE 130 CO 0.08 -0.03 0.48 -0.63 0.00 0.00 0.00 174.94 174.84 1f9n s ILE 131 N 1.61 5.10 0.24 2.92 -1.09 -0.41 -1.04 121.20 128.54 1f9n s ILE 131 Ca 0.04 0.80 0.08 0.00 -2.23 0.00 0.00 60.65 59.34 1f9n s ILE 131 Cb -0.18 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1f9n s ILE 131 CO 0.07 0.12 0.11 0.00 -1.23 0.00 0.00 174.94 174.01 1f9n h ARG 133 N 1.77 -0.93 -5.63 0.00 9.65 -1.56 -3.44 114.38 114.24 1f9n h ARG 133 Ca -0.47 0.06 -0.48 0.00 -1.10 0.00 0.00 59.98 58.00 1f9n h ARG 133 Cb 1.24 0.21 -0.14 0.00 -1.39 0.00 0.00 29.97 29.89 1f9n h ARG 133 CO 0.61 -0.62 -0.73 0.95 2.80 0.00 0.00 179.97 182.98 1f9n s THR 134 N -5.05 1.81 0.46 0.20 -4.23 -1.26 -4.94 115.64 102.63 1f9n s THR 134 Ca -0.14 -2.22 0.20 0.00 -1.18 0.00 0.00 61.69 58.35 1f9n s THR 134 Cb 0.01 -2.15 0.39 0.00 1.34 0.00 0.00 72.50 72.09 1f9n s THR 134 CO 0.42 -0.52 1.92 -0.65 -0.54 0.00 0.00 174.62 175.25 1f9n h PRO 135 N 2.47 0.26 -0.06 3.99 0.11 -1.89 -0.06 132.00 136.82 1f9n h PRO 135 Ca -0.39 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.49 1f9n h PRO 135 Cb 1.23 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1f9n h PRO 135 CO 0.63 0.17 -0.82 1.49 -0.21 0.00 0.00 178.00 179.26 1f9n h GLU 136 N 0.27 0.66 -0.41 1.05 4.81 -1.96 -3.05 114.58 115.95 1f9n h GLU 136 Ca 0.37 -0.63 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1f9n h GLU 136 Cb 1.06 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1f9n h GLU 136 CO -0.09 1.24 0.27 -0.44 -0.73 0.00 0.00 179.01 179.25 1f9n h ASP 137 N 0.33 0.46 0.04 1.04 3.32 -1.46 -2.10 116.42 118.04 1f9n h ASP 137 Ca -0.08 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1f9n h ASP 137 Cb 1.47 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 1f9n h ASP 137 CO 0.16 0.33 -0.07 0.74 -1.72 0.00 0.00 179.24 178.69 1f9n h THR 138 N 0.55 0.83 -0.57 0.35 2.02 -1.05 -1.59 112.91 113.45 1f9n h THR 138 Ca 0.15 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1f9n h THR 138 Cb -0.06 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1f9n h THR 138 CO -0.03 0.00 0.21 -0.33 0.37 0.00 0.00 175.52 175.73 1f9n h GLU 139 N -0.15 0.84 0.11 6.66 4.39 -1.39 0.64 114.58 125.67 1f9n h GLU 139 Ca 0.02 -0.14 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1f9n h GLU 139 Cb 0.16 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 1f9n h GLU 139 CO -0.04 0.70 -0.14 0.78 -1.16 0.00 0.00 179.01 179.15 1f9n h GLY 140 N 0.95 -0.26 1.06 -3.84 0.00 -0.92 0.12 103.07 100.19 1f9n h GLY 140 Ca 0.19 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1f9n h GLY 140 CO -0.01 -0.14 0.07 -2.08 0.00 0.00 0.00 176.54 174.38 1f9n h VAL 141 N -0.28 1.26 -0.58 4.60 2.07 -1.07 -2.30 116.25 119.96 1f9n h VAL 141 Ca 0.01 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.51 1f9n h VAL 141 Cb 0.29 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1f9n h VAL 141 CO -0.06 0.39 0.38 0.50 0.02 0.00 0.00 177.57 178.80 1f9n h LYS 142 N 0.96 0.63 -0.12 1.57 3.64 -0.49 -1.75 116.57 121.02 1f9n h LYS 142 Ca 0.19 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.33 1f9n h LYS 142 Cb 0.47 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1f9n h LYS 142 CO 0.02 0.42 -0.72 -0.91 -2.27 0.00 0.00 179.45 175.98 1f9n h ASN 143 N 0.65 0.66 -0.45 4.20 -0.26 -0.38 -2.45 115.58 117.55 1f9n h ASN 143 Ca 0.23 -0.42 -0.02 0.00 -0.56 0.00 0.00 56.30 55.53 1f9n h ASN 143 Cb 0.12 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1f9n h ASN 143 CO -0.06 1.18 0.18 0.03 -1.06 0.00 0.00 177.43 177.70 1f9n h ARG 144 N 0.39 0.66 -0.48 0.81 3.08 -0.80 -0.43 114.38 117.61 1f9n h ARG 144 Ca -0.03 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1f9n h ARG 144 Cb 1.31 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 1f9n h ARG 144 CO 0.13 0.60 0.13 -0.07 -1.07 0.00 0.00 179.97 179.69 1f9n h LEU 145 N 0.58 0.72 -1.59 3.04 3.38 -1.40 -2.54 115.31 117.49 1f9n h LEU 145 Ca 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1f9n h LEU 145 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1f9n h LEU 145 CO -0.01 0.76 -0.14 -0.07 0.09 0.00 0.00 178.44 179.07 1f9n h LEU 146 N 0.65 0.08 0.00 1.67 3.38 -1.22 -1.18 115.31 118.68 1f9n h LEU 146 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1f9n h LEU 146 Cb 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1f9n h LEU 146 CO 0.00 0.23 0.00 1.21 0.09 0.00 0.00 178.44 179.97 1f9n n GLU 147 N -4.33 0.27 0.00 1.13 2.13 -0.19 -1.88 120.64 117.77 1f9n n GLU 147 Ca -0.02 0.10 0.07 0.00 0.66 0.00 0.00 57.16 57.97 1f9n n GLU 147 Cb 0.23 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.37 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 -1.17 0.83 -0.41 4.31 4.77 -0.45 -5.09 117.00 119.79 1f9n n LEU 148 Ca 0.07 -0.54 0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1f9n n LEU 148 Cb 0.08 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.75 1f9n n LEU 148 CO 0.09 0.19 0.90 0.18 -1.33 0.00 0.00 177.39 177.42