#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6s s GLN 2 N 0.00 3.25 0.62 5.31 -1.52 -1.26 -2.16 119.66 123.90 1f6s s GLN 2 Ca 0.00 -0.45 -0.05 0.00 -1.95 0.00 0.00 55.36 52.91 1f6s s GLN 2 Cb 0.00 -4.12 0.03 0.00 -0.22 0.00 0.00 33.01 28.70 1f6s s GLN 2 CO 0.00 -1.64 0.92 -0.51 -0.25 0.00 0.00 175.29 173.81 1f6s s LEU 3 N 4.11 3.12 0.26 2.90 1.02 -0.93 -5.03 118.68 124.12 1f6s s LEU 3 Ca 0.28 0.56 0.07 0.00 0.02 0.00 0.00 54.13 55.06 1f6s s LEU 3 Cb -0.14 -3.34 -0.03 0.00 0.02 0.00 0.00 46.19 42.70 1f6s s LEU 3 CO 0.16 -1.23 0.22 0.42 0.02 0.00 0.00 176.35 175.94 1f6s s THR 4 N -3.04 4.47 0.15 5.49 -4.23 -1.26 -4.84 115.64 112.38 1f6s s THR 4 Ca 0.56 -1.36 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 1f6s s THR 4 Cb -0.11 -3.43 -0.01 0.00 1.34 0.00 0.00 72.50 70.29 1f6s s THR 4 CO 0.44 -0.34 1.58 0.50 -0.54 0.00 0.00 174.62 176.26 1f6s h LYS 5 N 1.44 -0.33 0.00 3.99 3.64 -1.99 -1.33 116.57 121.99 1f6s h LYS 5 Ca -0.49 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 1f6s h LYS 5 Cb 1.24 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1f6s h LYS 5 CO 0.61 -0.22 -0.23 0.00 -2.27 0.00 0.00 179.45 177.34 1f6s h GLU 7 N 0.00 0.00 0.00 0.00 4.81 -1.66 -2.95 114.58 114.78 1f6s h GLU 7 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1f6s h GLU 7 Cb 0.44 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1f6s h GLU 7 CO 0.03 0.65 -0.91 -0.39 -0.73 0.00 0.00 179.01 177.66 1f6s h VAL 8 N 0.00 1.61 0.00 0.32 -1.51 -1.24 -2.69 116.25 112.74 1f6s h VAL 8 Ca -0.01 -3.19 -0.02 0.00 -1.23 0.00 0.00 66.70 62.26 1f6s h VAL 8 Cb 1.16 2.74 -0.00 0.00 -2.13 0.00 0.00 31.29 33.06 1f6s h VAL 8 CO 0.08 0.90 -0.10 0.15 -1.23 0.00 0.00 177.57 177.37 1f6s h PHE 9 N 0.00 0.00 0.00 5.19 3.57 -1.35 -0.87 116.94 123.48 1f6s h PHE 9 Ca -0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1f6s h PHE 9 Cb 1.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 1f6s h PHE 9 CO 0.00 0.10 -0.28 0.00 -2.23 0.00 0.00 178.31 175.90 1f6s h ARG 10 N 0.00 0.00 0.00 1.11 3.08 -1.40 -3.37 114.38 113.80 1f6s h ARG 10 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1f6s h ARG 10 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1f6s h ARG 10 CO 0.01 1.00 0.00 0.93 -1.07 0.00 0.00 179.97 180.84 1f6s h GLU 11 N -1.00 0.00 -0.68 0.04 5.08 -1.27 -3.07 114.58 113.67 1f6s h GLU 11 Ca -0.08 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 1f6s h GLU 11 Cb 1.07 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.20 1f6s h GLU 11 CO -0.05 0.00 0.24 1.28 -1.00 0.00 0.00 179.01 179.48 1f6s n LEU 12 N -2.74 5.83 -0.18 1.33 4.77 -0.35 -4.63 117.00 121.03 1f6s n LEU 12 Ca 0.01 -3.25 -0.06 0.00 -0.03 0.00 0.00 56.01 52.68 1f6s n LEU 12 Cb 0.26 -0.73 0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1f6s n LEU 12 CO 0.24 0.83 1.07 0.11 -1.33 0.00 0.00 177.39 178.31 1f6s h LYS 13 N 2.47 0.63 0.00 3.23 1.57 -1.70 -2.03 116.57 120.75 1f6s h LYS 13 Ca 0.25 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1f6s h LYS 13 Cb 2.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.41 1f6s h LYS 13 CO 0.69 0.42 0.23 -0.44 -0.57 0.00 0.00 179.45 179.77 1f6s h ASP 14 N 0.65 0.00 0.47 0.86 3.32 -1.88 0.57 116.42 120.40 1f6s h ASP 14 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1f6s h ASP 14 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1f6s h ASP 14 CO -0.08 0.00 -0.67 0.18 -1.72 0.00 0.00 179.24 176.95 1f6s n LEU 15 N -2.27 0.60 -4.48 1.55 4.77 -0.76 -4.76 117.00 111.65 1f6s n LEU 15 Ca -0.01 -0.04 -0.50 0.00 -0.03 0.00 0.00 56.01 55.43 1f6s n LEU 15 Cb 0.26 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1f6s n LEU 15 CO 0.08 0.11 1.78 1.17 -1.33 0.00 0.00 177.39 179.20 1f6s n LYS 16 N -1.65 1.24 0.00 3.23 4.81 0.20 -2.12 118.16 123.87 1f6s n LYS 16 Ca 0.04 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1f6s n LYS 16 Cb 0.36 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 32.86 1f6s n LYS 16 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f6s n GLY 17 N 6.29 2.19 3.44 3.14 0.00 0.60 -5.00 105.19 115.85 1f6s n GLY 17 Ca 0.39 -0.44 -0.50 0.00 0.00 0.00 0.00 46.02 45.47 1f6s n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1f6s n TYR 18 N 0.00 -0.08 -1.06 1.61 9.36 -0.90 0.10 117.16 126.19 1f6s n TYR 18 Ca 0.00 0.95 -0.04 0.00 3.32 0.00 0.00 57.90 62.13 1f6s n TYR 18 Cb 0.00 -2.02 -0.02 0.00 -0.63 0.00 0.00 39.34 36.67 1f6s n TYR 18 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1f6s n GLY 19 N 1.86 0.39 1.99 2.98 0.00 -1.26 -1.71 105.19 109.43 1f6s n GLY 19 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1f6s n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f6s n GLY 20 N 0.66 0.38 3.37 -0.02 0.00 0.11 -4.96 105.19 104.74 1f6s n GLY 20 Ca -0.04 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1f6s n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f6s s VAL 21 N -2.00 2.39 0.15 1.61 -7.23 -0.70 -5.00 120.40 109.62 1f6s s VAL 21 Ca 0.00 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 1f6s s VAL 21 Cb 0.00 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 1f6s s VAL 21 CO 0.00 0.53 0.23 -0.94 -0.31 0.00 0.00 175.10 174.61 1f6s s SER 22 N -0.82 6.06 0.22 4.85 1.04 -1.26 -0.29 113.70 123.50 1f6s s SER 22 Ca 0.11 0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 1f6s s SER 22 Cb -0.10 -1.75 0.32 0.00 0.10 0.00 0.00 66.02 64.59 1f6s s SER 22 CO 0.00 0.06 1.67 -0.07 0.98 0.00 0.00 173.24 175.89 1f6s h LEU 23 N 2.28 -0.17 -1.51 2.42 3.38 -1.93 0.80 115.31 120.59 1f6s h LEU 23 Ca -0.48 0.14 0.24 0.00 0.09 0.00 0.00 57.88 57.87 1f6s h LEU 23 Cb 1.19 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.11 1f6s h LEU 23 CO 0.67 -0.08 0.64 -0.65 0.09 0.00 0.00 178.44 179.11 1f6s h PRO 24 N 0.17 0.35 -0.22 1.13 0.11 -1.93 0.20 132.00 131.81 1f6s h PRO 24 Ca 0.34 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.23 1f6s h PRO 24 Cb 0.54 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1f6s h PRO 24 CO -0.50 0.23 -0.63 0.93 -0.21 0.00 0.00 178.00 177.82 1f6s h GLU 25 N 0.36 0.78 -0.31 1.05 5.08 -1.14 -2.77 114.58 117.64 1f6s h GLU 25 Ca 0.52 -0.54 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1f6s h GLU 25 Cb 1.37 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 1f6s h GLU 25 CO -0.20 1.17 -0.24 -1.49 -1.00 0.00 0.00 179.01 177.25 1f6s h TRP 26 N 0.58 0.84 -0.11 4.33 -0.00 -0.29 0.60 115.95 121.91 1f6s h TRP 26 Ca -0.01 -0.24 0.02 0.00 -0.00 0.00 0.00 58.89 58.66 1f6s h TRP 26 Cb 1.24 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 30.20 1f6s h TRP 26 CO 0.07 0.97 0.01 0.28 -0.00 0.00 0.00 178.44 179.77 1f6s h VAL 27 N 0.47 0.94 0.19 1.49 2.07 -0.88 0.61 116.25 121.13 1f6s h VAL 27 Ca 0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1f6s h VAL 27 Cb 0.80 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1f6s h VAL 27 CO 0.06 0.01 -0.09 0.00 0.02 0.00 0.00 177.57 177.57 1f6s h THR 29 N -0.31 0.92 0.00 0.00 2.02 -0.66 -2.20 112.91 112.68 1f6s h THR 29 Ca -0.03 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1f6s h THR 29 Cb 0.24 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1f6s h THR 29 CO 0.04 0.04 -0.21 0.71 0.37 0.00 0.00 175.52 176.47 1f6s h THR 30 N 0.22 0.78 -0.24 3.16 1.35 -0.88 -0.48 112.91 116.82 1f6s h THR 30 Ca 0.13 -0.85 -0.12 0.00 -0.55 0.00 0.00 66.41 65.02 1f6s h THR 30 Cb 0.10 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1f6s h THR 30 CO -0.13 0.21 -0.31 0.15 -0.25 0.00 0.00 175.52 175.19 1f6s h PHE 31 N 0.00 0.78 -0.00 4.73 3.57 -0.93 -0.74 116.94 124.34 1f6s h PHE 31 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1f6s h PHE 31 Cb 0.50 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1f6s h PHE 31 CO 0.00 0.99 -0.02 0.72 -2.23 0.00 0.00 178.31 177.77 1f6s n HIS 32 N -4.29 0.00 -0.14 0.41 8.25 -0.88 -0.81 115.22 117.77 1f6s n HIS 32 Ca -0.05 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 1f6s n HIS 32 Cb 0.48 -0.16 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 1f6s n HIS 32 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1f6s n THR 33 N -1.09 1.52 -0.83 1.59 -1.04 -0.22 -4.82 114.28 109.39 1f6s n THR 33 Ca 0.18 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1f6s n THR 33 Cb 0.20 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 1f6s n THR 33 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1f6s n SER 34 N -4.02 0.25 -2.59 8.00 3.41 -0.31 -4.93 113.62 113.43 1f6s n SER 34 Ca -0.52 -1.08 -0.20 0.00 -0.26 0.00 0.00 58.87 56.80 1f6s n SER 34 Cb 0.91 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.88 1f6s n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f6s n GLY 35 N -0.04 -0.43 2.56 5.00 0.00 0.01 -2.07 105.19 110.22 1f6s n GLY 35 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1f6s n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1f6s n TYR 36 N -4.29 0.00 -3.19 1.61 0.53 -1.22 -4.81 117.16 105.79 1f6s n TYR 36 Ca -0.15 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.31 1f6s n TYR 36 Cb 0.64 -2.02 -0.07 0.00 -1.03 0.00 0.00 39.34 36.85 1f6s n TYR 36 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1f6s s ASP 37 N -2.43 6.32 0.01 7.72 -1.08 -0.88 -2.18 116.67 124.15 1f6s s ASP 37 Ca 0.00 -0.14 0.17 0.00 -0.52 0.00 0.00 52.55 52.07 1f6s s ASP 37 Cb 0.00 -2.29 0.74 0.00 -1.46 0.00 0.00 42.92 39.92 1f6s s ASP 37 CO 0.00 -0.58 1.56 0.35 0.52 0.00 0.00 175.17 177.02 1f6s n THR 38 N 5.56 0.81 -0.08 1.71 -2.24 -0.92 -2.58 114.28 116.55 1f6s n THR 38 Ca -0.04 0.20 0.08 0.00 -2.27 0.00 0.00 64.05 62.03 1f6s n THR 38 Cb 0.48 -0.91 0.20 0.00 -2.10 0.00 0.00 70.33 68.00 1f6s n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6s n GLN 39 N -1.53 2.52 -1.75 -0.78 6.02 -1.26 -4.18 117.38 116.42 1f6s n GLN 39 Ca 0.04 -2.17 -0.42 0.00 -0.01 0.00 0.00 57.00 54.44 1f6s n GLN 39 Cb 0.20 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1f6s n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6s s ALA 40 N -1.08 3.90 -0.13 -1.58 0.00 -1.07 -4.78 121.76 117.03 1f6s s ALA 40 Ca 0.32 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 1f6s s ALA 40 Cb 0.17 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.65 1f6s s ALA 40 CO 0.23 -0.93 0.00 0.42 0.00 0.00 0.00 175.76 175.48 1f6s s ILE 41 N 0.95 0.55 -0.09 0.00 1.01 -1.26 -0.76 121.20 121.60 1f6s s ILE 41 Ca 0.72 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.19 1f6s s ILE 41 Cb -0.49 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1f6s s ILE 41 CO 0.35 0.10 -0.22 -0.69 0.00 0.00 0.00 174.94 174.48 1f6s s VAL 42 N 1.88 1.87 -0.23 2.92 1.01 -0.79 -4.98 120.40 122.08 1f6s s VAL 42 Ca 0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1f6s s VAL 42 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1f6s s VAL 42 CO -0.07 0.52 0.11 -1.58 0.00 0.00 0.00 175.10 174.08 1f6s s GLN 43 N 0.39 3.94 -0.28 2.72 2.00 -1.26 -0.79 119.66 126.39 1f6s s GLN 43 Ca -0.18 -0.34 -0.03 0.00 -2.00 0.00 0.00 55.36 52.81 1f6s s GLN 43 Cb -0.17 -3.40 0.11 0.00 0.80 0.00 0.00 33.01 30.34 1f6s s GLN 43 CO 0.08 0.05 0.18 0.54 -0.50 0.00 0.00 175.29 175.64 1f6s s ASN 44 N 1.03 2.82 -0.47 6.67 4.22 0.44 -5.00 114.94 124.65 1f6s s ASN 44 Ca 0.06 -1.04 -0.29 0.00 -2.14 0.00 0.00 52.86 49.45 1f6s s ASN 44 Cb -0.14 -0.06 0.04 0.00 1.28 0.00 0.00 41.25 42.38 1f6s s ASN 44 CO 0.04 -0.41 0.65 -3.20 -2.04 0.00 0.00 177.10 172.13 1f6s n ASN 45 N 5.27 -6.28 -3.61 3.54 5.15 -1.26 -3.48 115.26 114.60 1f6s n ASN 45 Ca -0.05 0.01 -0.27 0.00 -0.60 0.00 0.00 54.58 53.68 1f6s n ASN 45 Cb 0.44 -2.89 0.04 0.00 -0.53 0.00 0.00 39.78 36.84 1f6s n ASN 45 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1f6s n ASP 46 N -0.39 -5.63 0.00 1.20 -0.08 -1.26 -4.98 116.55 105.41 1f6s n ASP 46 Ca -0.03 -0.90 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 1f6s n ASP 46 Cb 0.61 -3.49 0.00 0.00 2.34 0.00 0.00 41.12 40.58 1f6s n ASP 46 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1f6s n SER 47 N -2.59 0.00 -4.48 1.67 2.88 -1.23 -5.01 113.62 104.87 1f6s n SER 47 Ca -0.10 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.10 1f6s n SER 47 Cb 0.59 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.93 1f6s n SER 47 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1f6s s THR 48 N 0.00 3.42 -0.09 2.46 2.01 -1.26 -0.42 115.64 121.77 1f6s s THR 48 Ca 0.00 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1f6s s THR 48 Cb 0.00 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 1f6s s THR 48 CO 0.00 0.55 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.74 1f6s s GLU 49 N -0.20 2.91 0.06 4.92 2.02 0.03 -0.95 118.70 127.50 1f6s s GLU 49 Ca 0.02 -0.68 0.09 0.00 0.02 0.00 0.00 54.97 54.41 1f6s s GLU 49 Cb -0.13 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 1f6s s GLU 49 CO 0.03 0.45 -0.23 0.71 0.02 0.00 0.00 175.26 176.24 1f6s s TYR 50 N -0.26 2.43 0.00 1.61 2.02 0.78 -1.89 117.35 122.03 1f6s s TYR 50 Ca 0.02 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1f6s s TYR 50 Cb -0.13 -1.39 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1f6s s TYR 50 CO 0.03 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.65 1f6s n GLY 51 N 1.46 -0.90 0.35 0.71 0.00 0.06 -1.55 105.19 105.32 1f6s n GLY 51 Ca -0.17 -1.12 0.11 0.00 0.00 0.00 0.00 46.02 44.84 1f6s n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6s h LEU 52 N 0.00 0.45 -1.08 0.99 5.85 -1.72 -2.21 115.31 117.59 1f6s h LEU 52 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1f6s h LEU 52 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1f6s h LEU 52 CO 0.00 0.27 -0.40 0.49 -0.34 0.00 0.00 178.44 178.46 1f6s n PHE 53 N -4.48 0.00 -3.60 1.25 3.72 -1.26 -4.27 117.46 108.83 1f6s n PHE 53 Ca 0.10 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.23 1f6s n PHE 53 Cb 0.34 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.92 1f6s n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1f6s n GLN 54 N 0.11 -1.80 -2.86 -1.08 1.13 -0.78 -4.94 117.38 107.15 1f6s n GLN 54 Ca 0.10 0.56 -0.41 0.00 -1.94 0.00 0.00 57.00 55.31 1f6s n GLN 54 Cb 0.48 -4.59 -0.04 0.00 0.11 0.00 0.00 30.24 26.20 1f6s n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1f6s s ILE 55 N -3.48 4.94 0.54 5.09 1.01 -0.59 -4.48 121.20 124.22 1f6s s ILE 55 Ca 0.42 1.77 -0.08 0.00 0.00 0.00 0.00 60.65 62.76 1f6s s ILE 55 Cb -0.13 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1f6s s ILE 55 CO 0.83 0.18 0.89 0.54 0.00 0.00 0.00 174.94 177.38 1f6s s ASN 56 N 0.94 6.27 -0.01 3.58 2.20 -1.26 -0.16 114.94 126.51 1f6s s ASN 56 Ca 0.45 1.16 0.15 0.00 -0.94 0.00 0.00 52.86 53.68 1f6s s ASN 56 Cb -0.19 -2.35 0.44 0.00 -2.00 0.00 0.00 41.25 37.15 1f6s s ASN 56 CO 0.22 -0.69 1.36 -0.46 -2.94 0.00 0.00 177.10 174.59 1f6s n ASN 57 N -2.40 2.72 0.06 3.54 6.94 -0.13 -2.99 115.26 123.00 1f6s n ASN 57 Ca 0.03 -2.03 -0.22 0.00 -0.02 0.00 0.00 54.58 52.34 1f6s n ASN 57 Cb 0.55 -0.34 -0.15 0.00 -2.36 0.00 0.00 39.78 37.47 1f6s n ASN 57 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1f6s h LYS 58 N 2.88 0.35 0.00 -3.83 3.64 -1.82 -3.44 116.57 114.35 1f6s h LYS 58 Ca 0.00 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1f6s h LYS 58 Cb 0.70 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1f6s h LYS 58 CO 0.02 1.28 -0.62 -0.89 -2.27 0.00 0.00 179.45 176.97 1f6s n ILE 59 N -3.84 0.00 0.04 2.00 5.41 -1.26 -3.62 119.36 118.09 1f6s n ILE 59 Ca -0.21 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.32 1f6s n ILE 59 Cb 0.97 -0.41 -0.14 0.00 -0.71 0.00 0.00 39.64 39.34 1f6s n ILE 59 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1f6s h TRP 60 N 0.00 0.60 -3.97 1.39 4.06 -1.85 0.44 115.95 116.62 1f6s h TRP 60 Ca 0.00 -0.44 -0.25 0.00 2.06 0.00 0.00 58.89 60.26 1f6s h TRP 60 Cb 0.62 -0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.61 1f6s h TRP 60 CO 0.00 1.71 -0.66 0.00 -3.56 0.00 0.00 178.44 175.93 1f6s s LYS 62 N -3.95 1.64 0.36 0.00 -2.85 -0.85 -4.25 119.74 109.85 1f6s s LYS 62 Ca 0.23 -1.21 0.05 0.00 -1.00 0.00 0.00 55.97 54.04 1f6s s LYS 62 Cb 0.07 -1.96 -0.03 0.00 -2.06 0.00 0.00 37.83 33.85 1f6s s LYS 62 CO 0.03 0.49 0.18 0.16 0.10 0.00 0.00 175.35 176.30 1f6s s ASP 63 N -1.62 2.19 0.60 0.03 1.47 -1.26 -1.48 116.67 116.60 1f6s s ASP 63 Ca 0.13 -1.68 0.29 0.00 1.18 0.00 0.00 52.55 52.47 1f6s s ASP 63 Cb -0.10 0.51 1.61 0.00 -0.34 0.00 0.00 42.92 44.60 1f6s s ASP 63 CO 0.04 -0.97 2.01 0.44 0.68 0.00 0.00 175.17 177.37 1f6s h ASP 64 N 1.98 0.00 -3.41 2.11 3.45 -2.00 -3.33 116.42 115.22 1f6s h ASP 64 Ca -0.32 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.64 1f6s h ASP 64 Cb 1.26 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1f6s h ASP 64 CO 0.49 0.00 -0.04 -1.10 -1.57 0.00 0.00 179.24 177.02 1f6s s GLN 65 N -4.55 3.70 -1.15 3.56 -0.21 -1.26 -4.31 119.66 115.44 1f6s s GLN 65 Ca -0.04 0.20 -0.29 0.00 0.02 0.00 0.00 55.36 55.25 1f6s s GLN 65 Cb 0.14 -2.54 0.04 0.00 1.00 0.00 0.00 33.01 31.65 1f6s s GLN 65 CO 0.51 0.12 0.67 -1.71 -2.12 0.00 0.00 175.29 172.76 1f6s n ASN 66 N -1.06 -4.29 0.00 5.90 4.05 -1.26 -4.77 115.26 113.83 1f6s n ASN 66 Ca -0.00 -1.24 0.06 0.00 0.45 0.00 0.00 54.58 53.85 1f6s n ASN 66 Cb 0.54 -1.69 0.27 0.00 1.23 0.00 0.00 39.78 40.13 1f6s n ASN 66 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1f6s n PRO 67 N -4.63 0.04 0.00 1.20 -0.02 -1.25 -2.31 135.00 128.04 1f6s n PRO 67 Ca -0.15 0.26 0.14 0.00 -2.02 0.00 0.00 63.50 61.73 1f6s n PRO 67 Cb 0.59 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 33.10 1f6s n PRO 67 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1f6s n HIS 68 N -1.45 0.00 -1.06 6.00 8.25 -1.26 -4.96 115.22 120.74 1f6s n HIS 68 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 1f6s n HIS 68 Cb 0.13 -0.11 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 1f6s n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f6s n SER 69 N -0.63 -2.18 -0.27 0.41 2.88 -0.98 -4.81 113.62 108.05 1f6s n SER 69 Ca 0.15 0.68 0.05 0.00 -1.33 0.00 0.00 58.87 58.43 1f6s n SER 69 Cb 0.31 -0.72 0.28 0.00 -0.75 0.00 0.00 64.21 63.33 1f6s n SER 69 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1f6s h SER 70 N 0.32 0.83 -6.30 -3.46 0.87 -1.72 -3.46 113.55 100.62 1f6s h SER 70 Ca -0.29 0.01 -0.45 0.00 -1.23 0.00 0.00 61.79 59.83 1f6s h SER 70 Cb 1.17 -0.17 0.07 0.00 -0.44 0.00 0.00 62.40 63.03 1f6s h SER 70 CO 0.39 0.53 -0.94 -3.20 -0.53 0.00 0.00 176.83 173.07 1f6s n ASN 71 N -4.49 -4.84 0.26 6.23 5.15 -0.20 -4.84 115.26 112.53 1f6s n ASN 71 Ca 0.13 -1.04 0.12 0.00 -0.60 0.00 0.00 54.58 53.20 1f6s n ASN 71 Cb 0.22 -3.21 0.68 0.00 -0.53 0.00 0.00 39.78 36.93 1f6s n ASN 71 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1f6s h ILE 72 N -1.96 0.53 -0.02 -1.44 2.04 -0.82 -1.03 117.51 114.80 1f6s h ILE 72 Ca -0.67 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1f6s h ILE 72 Cb 1.37 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1f6s h ILE 72 CO 0.50 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.78 1f6s n ASN 74 N 0.06 -4.57 -3.50 0.00 5.15 -0.39 -4.96 115.26 107.04 1f6s n ASN 74 Ca 0.19 -1.19 -0.14 0.00 -0.60 0.00 0.00 54.58 52.85 1f6s n ASN 74 Cb 0.33 -2.17 -0.04 0.00 -0.53 0.00 0.00 39.78 37.36 1f6s n ASN 74 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1f6s s ILE 75 N -3.46 0.01 0.01 -1.44 2.07 -1.26 -5.09 121.20 112.04 1f6s s ILE 75 Ca 0.45 -0.12 -0.29 0.00 -1.41 0.00 0.00 60.65 59.28 1f6s s ILE 75 Cb -0.22 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.33 1f6s s ILE 75 CO 0.94 -0.06 0.94 -0.55 -1.91 0.00 0.00 174.94 174.30 1f6s s SER 76 N -2.17 7.34 0.60 4.50 0.15 -1.26 -2.00 113.70 120.86 1f6s s SER 76 Ca -0.03 1.62 0.29 0.00 0.70 0.00 0.00 55.95 58.53 1f6s s SER 76 Cb -0.00 -2.55 1.60 0.00 -1.71 0.00 0.00 66.02 63.35 1f6s s SER 76 CO -0.04 -0.22 2.00 0.00 1.20 0.00 0.00 173.24 176.18 1f6s h ASP 78 N 0.00 0.45 0.30 0.00 3.32 -1.91 -0.80 116.42 117.77 1f6s h ASP 78 Ca 0.13 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1f6s h ASP 78 Cb 0.78 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1f6s h ASP 78 CO -0.00 0.27 0.00 0.11 -1.72 0.00 0.00 179.24 177.90 1f6s h LYS 79 N 0.50 0.00 -0.14 3.56 1.79 -1.65 -0.69 116.57 119.94 1f6s h LYS 79 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1f6s h LYS 79 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1f6s h LYS 79 CO -0.09 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.47 1f6s n PHE 80 N -2.37 0.17 0.63 -1.35 0.99 -0.31 -3.88 117.46 111.35 1f6s n PHE 80 Ca -0.00 -0.09 0.08 0.00 -0.00 0.00 0.00 57.45 57.44 1f6s n PHE 80 Cb 0.12 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.66 1f6s n PHE 80 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1f6s n LEU 81 N 0.37 2.21 0.00 4.37 4.32 -0.27 -3.61 117.00 124.39 1f6s n LEU 81 Ca 0.17 -0.98 -0.02 0.00 -0.02 0.00 0.00 56.01 55.15 1f6s n LEU 81 Cb 0.35 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.17 1f6s n LEU 81 CO 0.14 0.40 0.06 -0.90 -1.22 0.00 0.00 177.39 175.87 1f6s n ASP 82 N 0.78 0.18 0.08 -1.43 5.68 -1.25 -4.52 116.55 116.07 1f6s n ASP 82 Ca 0.09 -1.14 0.12 0.00 -0.50 0.00 0.00 54.79 53.35 1f6s n ASP 82 Cb 0.37 -0.07 0.13 0.00 -1.14 0.00 0.00 41.12 40.42 1f6s n ASP 82 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1f6s h ASP 83 N -0.04 0.00 -3.64 -1.12 3.32 -1.92 -3.45 116.42 109.57 1f6s h ASP 83 Ca -0.04 -0.15 -0.61 0.00 0.02 0.00 0.00 57.03 56.25 1f6s h ASP 83 Cb 0.14 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.58 1f6s h ASP 83 CO 0.04 0.08 0.52 -0.62 -1.72 0.00 0.00 179.24 177.53 1f6s s ASP 84 N -4.59 6.47 -0.01 6.45 2.15 -1.26 -4.91 116.67 120.98 1f6s s ASP 84 Ca 0.05 0.04 0.02 0.00 0.43 0.00 0.00 52.55 53.09 1f6s s ASP 84 Cb 0.12 -2.43 0.07 0.00 -0.30 0.00 0.00 42.92 40.38 1f6s s ASP 84 CO 0.73 -1.02 0.90 0.18 -0.17 0.00 0.00 175.17 175.79 1f6s n LEU 85 N 7.05 0.81 0.35 -1.34 4.77 -1.26 -4.36 117.00 123.01 1f6s n LEU 85 Ca 0.05 -0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 55.47 1f6s n LEU 85 Cb 0.48 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1f6s n LEU 85 CO 0.63 0.17 0.53 0.74 -1.33 0.00 0.00 177.39 178.12 1f6s h THR 86 N 0.44 0.00 -0.65 -5.08 2.02 -1.94 -1.72 112.91 105.97 1f6s h THR 86 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1f6s h THR 86 Cb 0.31 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1f6s h THR 86 CO 0.02 0.00 0.25 -2.24 0.37 0.00 0.00 175.52 173.92 1f6s h ASP 87 N -0.95 0.91 -0.61 4.18 3.04 -1.92 -2.22 116.42 118.86 1f6s h ASP 87 Ca -0.09 -0.18 0.12 0.00 -3.24 0.00 0.00 57.03 53.65 1f6s h ASP 87 Cb 0.75 -0.24 -0.12 0.00 -1.04 0.00 0.00 39.33 38.69 1f6s h ASP 87 CO 0.10 0.84 -0.16 0.44 -2.04 0.00 0.00 179.24 178.42 1f6s h ASP 88 N 0.92 -0.59 -0.39 4.15 5.19 -1.80 0.66 116.42 124.57 1f6s h ASP 88 Ca 0.22 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.80 1f6s h ASP 88 Cb 0.22 0.38 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1f6s h ASP 88 CO -0.02 -0.21 0.21 0.40 -3.12 0.00 0.00 179.24 176.51 1f6s h ILE 89 N -0.01 1.15 -0.46 0.35 2.04 -1.05 -1.21 117.51 118.34 1f6s h ILE 89 Ca 0.29 -0.41 0.09 0.00 1.00 0.00 0.00 64.86 65.84 1f6s h ILE 89 Cb 0.45 0.71 -0.09 0.00 -0.74 0.00 0.00 36.82 37.15 1f6s h ILE 89 CO -0.63 0.16 -0.19 0.24 0.00 0.00 0.00 178.15 177.73 1f6s h MET 90 N 0.50 -0.09 -0.65 2.37 2.86 -0.39 -0.65 114.93 118.89 1f6s h MET 90 Ca 0.14 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1f6s h MET 90 Cb 0.07 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1f6s h MET 90 CO -0.02 -0.06 0.27 0.00 1.06 0.00 0.00 176.91 178.16 1f6s h VAL 92 N 0.94 1.20 -0.81 0.00 2.07 0.08 -2.12 116.25 117.61 1f6s h VAL 92 Ca 0.22 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1f6s h VAL 92 Cb 0.16 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1f6s h VAL 92 CO -0.02 0.19 0.52 0.11 0.02 0.00 0.00 177.57 178.39 1f6s h LYS 93 N 1.03 1.08 -0.71 1.57 1.57 -1.15 0.05 116.57 120.01 1f6s h LYS 93 Ca 0.28 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1f6s h LYS 93 Cb -0.11 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 31.93 1f6s h LYS 93 CO -0.06 0.73 0.36 0.87 -0.57 0.00 0.00 179.45 180.77 1f6s h LYS 94 N 1.10 1.01 -0.41 3.15 1.79 -1.34 -0.40 116.57 121.47 1f6s h LYS 94 Ca 0.30 -0.14 -0.10 0.00 -2.18 0.00 0.00 60.65 58.52 1f6s h LYS 94 Cb -0.10 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.34 1f6s h LYS 94 CO -0.06 0.78 -0.16 0.82 -1.08 0.00 0.00 179.45 179.76 1f6s h ILE 95 N 0.98 1.26 -0.11 1.86 2.04 -0.71 -1.41 117.51 121.44 1f6s h ILE 95 Ca 0.25 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1f6s h ILE 95 Cb 0.09 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1f6s h ILE 95 CO -0.03 0.42 -0.03 -0.07 0.00 0.00 0.00 178.15 178.44 1f6s h LEU 96 N 0.69 0.22 -1.88 1.44 3.38 -0.56 0.37 115.31 118.97 1f6s h LEU 96 Ca 0.11 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1f6s h LEU 96 Cb 0.65 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1f6s h LEU 96 CO 0.05 0.54 -0.11 0.44 0.09 0.00 0.00 178.44 179.44 1f6s h ASP 97 N -0.11 0.00 0.01 -0.43 3.32 -1.01 0.28 116.42 118.49 1f6s h ASP 97 Ca 0.03 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.87 1f6s h ASP 97 Cb 0.45 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1f6s h ASP 97 CO 0.01 0.11 -1.15 0.11 -1.72 0.00 0.00 179.24 176.61 1f6s h LYS 98 N 0.00 0.02 0.00 3.56 1.79 -1.06 -3.43 116.57 117.46 1f6s h LYS 98 Ca -0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1f6s h LYS 98 Cb 0.23 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1f6s h LYS 98 CO 0.01 1.02 0.00 0.28 -1.08 0.00 0.00 179.45 179.68 1f6s n VAL 99 N -4.39 0.00 -1.01 0.50 0.31 0.12 -5.08 118.33 108.78 1f6s n VAL 99 Ca -0.29 -0.33 0.06 0.00 -0.01 0.00 0.00 64.34 63.77 1f6s n VAL 99 Cb 0.68 1.33 -0.02 0.00 -0.91 0.00 0.00 33.84 34.93 1f6s n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f6s n GLY 100 N 0.03 -2.08 0.15 2.92 0.00 1.00 -4.18 105.19 103.03 1f6s n GLY 100 Ca 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.74 1f6s n GLY 100 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1f6s n ILE 101 N -1.96 0.98 0.86 -0.61 0.13 -1.26 -2.93 119.36 114.56 1f6s n ILE 101 Ca 0.00 0.56 0.08 0.00 -1.10 0.00 0.00 62.75 62.30 1f6s n ILE 101 Cb 0.20 -1.54 0.44 0.00 -0.84 0.00 0.00 39.64 37.90 1f6s n ILE 101 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1f6s n ASN 102 N -2.24 0.00 0.24 9.51 5.03 -1.26 -2.40 115.26 124.14 1f6s n ASN 102 Ca -0.00 -0.09 0.09 0.00 0.87 0.00 0.00 54.58 55.44 1f6s n ASN 102 Cb 0.10 -0.22 0.62 0.00 -1.02 0.00 0.00 39.78 39.26 1f6s n ASN 102 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1f6s h TYR 103 N 0.00 0.00 -3.19 3.10 3.20 -1.75 -3.34 116.97 114.98 1f6s h TYR 103 Ca 0.00 0.00 -0.76 0.00 3.14 0.00 0.00 58.73 61.11 1f6s h TYR 103 Cb 0.12 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 38.14 1f6s h TYR 103 CO 0.00 0.16 -0.21 -1.58 -1.64 0.00 0.00 178.16 174.89 1f6s s TRP 104 N -4.40 3.33 0.29 -3.82 0.51 -1.01 -4.94 118.94 108.89 1f6s s TRP 104 Ca -0.03 -1.45 0.02 0.00 -2.12 0.00 0.00 56.10 52.52 1f6s s TRP 104 Cb 0.14 -3.76 0.59 0.00 -0.81 0.00 0.00 33.47 29.64 1f6s s TRP 104 CO 0.64 -1.01 1.82 -0.07 -0.51 0.00 0.00 176.95 177.81 1f6s h LEU 105 N 8.71 0.87 -0.88 2.99 3.38 -1.85 -2.22 115.31 126.31 1f6s h LEU 105 Ca -0.25 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.00 1f6s h LEU 105 Cb 1.09 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.57 1f6s h LEU 105 CO 0.99 0.43 0.01 0.00 0.09 0.00 0.00 178.44 179.95 1f6s h ALA 106 N 1.56 0.96 -0.12 1.53 0.00 -1.91 0.14 119.26 121.43 1f6s h ALA 106 Ca 0.51 0.29 -0.20 0.00 0.00 0.00 0.00 54.91 55.51 1f6s h ALA 106 Cb 0.59 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1f6s h ALA 106 CO -0.30 -0.48 -0.75 1.25 0.00 0.00 0.00 179.25 178.97 1f6s h HIS 107 N 0.07 0.82 -0.56 0.00 -0.00 -1.73 -2.63 115.15 111.12 1f6s h HIS 107 Ca 0.50 -0.36 0.17 0.00 -0.00 0.00 0.00 60.37 60.68 1f6s h HIS 107 Cb 0.95 -0.13 -0.10 0.00 -0.00 0.00 0.00 27.41 28.13 1f6s h HIS 107 CO -0.47 1.16 0.07 1.17 -0.00 0.00 0.00 177.93 179.86 1f6s n LYS 108 N -3.89 -0.04 0.00 5.26 0.00 0.48 -3.28 118.16 116.69 1f6s n LYS 108 Ca -0.06 0.82 0.00 0.00 0.00 0.00 0.00 58.31 59.07 1f6s n LYS 108 Cb 0.73 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 34.42 1f6s n LYS 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f6s n ALA 109 N -3.22 2.58 0.38 3.14 0.00 -1.24 -4.89 120.51 117.27 1f6s n ALA 109 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.68 1f6s n ALA 109 Cb 0.49 0.10 0.41 0.00 0.00 0.00 0.00 19.45 20.45 1f6s n ALA 109 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1f6s n LEU 110 N -2.22 0.40 -2.06 0.00 7.94 -1.00 -3.67 117.00 116.39 1f6s n LEU 110 Ca 0.00 0.61 -0.09 0.00 -1.11 0.00 0.00 56.01 55.42 1f6s n LEU 110 Cb 0.10 -0.57 0.05 0.00 0.53 0.00 0.00 43.42 43.53 1f6s n LEU 110 CO 0.00 -0.50 0.13 0.00 -1.11 0.00 0.00 177.39 175.91 1f6s n SER 112 N -0.61 2.05 -3.83 0.00 7.64 -1.24 -4.74 113.62 112.89 1f6s n SER 112 Ca 0.25 -1.99 -0.09 0.00 1.01 0.00 0.00 58.87 58.05 1f6s n SER 112 Cb 0.89 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 64.03 1f6s n SER 112 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1f6s s GLU 113 N -0.99 1.34 -1.32 1.43 2.02 -1.26 -4.93 118.70 115.00 1f6s s GLU 113 Ca 0.02 -1.00 -0.05 0.00 0.02 0.00 0.00 54.97 53.96 1f6s s GLU 113 Cb 0.01 0.48 0.03 0.00 0.10 0.00 0.00 34.13 34.74 1f6s s GLU 113 CO 0.01 -0.55 0.33 1.63 0.02 0.00 0.00 175.26 176.70 1f6s n LYS 114 N -0.31 -3.27 0.23 1.61 4.76 -1.26 -4.82 118.16 115.10 1f6s n LYS 114 Ca -0.08 0.66 0.17 0.00 -2.87 0.00 0.00 58.31 56.19 1f6s n LYS 114 Cb 0.62 -5.37 0.87 0.00 -1.84 0.00 0.00 35.03 29.32 1f6s n LYS 114 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1f6s h LEU 115 N -0.70 0.00 -0.78 -0.35 -0.00 -1.93 -3.25 115.31 108.30 1f6s h LEU 115 Ca -0.42 0.00 0.14 0.00 -0.00 0.00 0.00 57.88 57.60 1f6s h LEU 115 Cb 1.29 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.82 1f6s h LEU 115 CO 0.49 0.00 -0.25 0.47 -0.00 0.00 0.00 178.44 179.14 1f6s n ASP 116 N -3.69 -0.40 0.17 -0.43 8.00 -1.26 0.94 116.55 119.88 1f6s n ASP 116 Ca 0.01 1.35 0.13 0.00 0.71 0.00 0.00 54.79 56.99 1f6s n ASP 116 Cb 0.28 -0.35 0.57 0.00 -0.02 0.00 0.00 41.12 41.60 1f6s n ASP 116 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1f6s h GLN 117 N 0.00 0.00 0.00 -1.24 3.07 -1.97 -1.93 115.11 113.04 1f6s h GLN 117 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 1f6s h GLN 117 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1f6s h GLN 117 CO -0.79 0.00 -0.90 0.91 0.09 0.00 0.00 178.83 178.14 1f6s n TRP 118 N -2.42 0.14 -2.50 0.06 7.02 0.27 -4.81 117.44 115.20 1f6s n TRP 118 Ca 0.01 0.04 -0.42 0.00 -1.02 0.00 0.00 57.50 56.12 1f6s n TRP 118 Cb 0.21 -0.30 -0.03 0.00 -2.42 0.00 0.00 31.31 28.77 1f6s n TRP 118 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1f6s s LEU 119 N -3.51 3.34 -1.26 -0.99 2.96 -0.73 -4.79 118.68 113.70 1f6s s LEU 119 Ca 0.06 -0.00 -0.16 0.00 -0.22 0.00 0.00 54.13 53.81 1f6s s LEU 119 Cb 0.15 -2.92 0.12 0.00 0.50 0.00 0.00 46.19 44.04 1f6s s LEU 119 CO 0.79 -1.69 1.61 0.00 -1.32 0.00 0.00 176.35 175.74 1f6s s GLU 121 N 2.81 2.68 0.00 0.00 0.41 -1.26 -5.05 118.70 118.29 1f6s s GLU 121 Ca 0.48 -0.44 0.00 0.00 -0.41 0.00 0.00 54.97 54.60 1f6s s GLU 121 Cb 0.01 -5.11 0.00 0.00 -1.78 0.00 0.00 34.13 27.25 1f6s s GLU 121 CO 0.04 -3.27 0.00 1.63 -0.49 0.00 0.00 175.26 173.17