#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 3.35 1.24 5.31 2.00 -1.26 -2.17 119.66 128.12 1f6s s GLN 2 Ca 0.00 -0.94 -0.20 0.00 -2.00 0.00 0.00 55.36 52.22 1f6s s GLN 2 Cb 0.00 -4.63 0.30 0.00 0.80 0.00 0.00 33.01 29.48 1f6s s GLN 2 CO 0.00 -1.99 1.09 -0.51 -0.50 0.00 0.00 175.29 173.38 1f6s s LEU 3 N 4.44 0.45 0.22 3.68 1.43 -0.07 -4.98 118.68 123.85 1f6s s LEU 3 Ca 0.33 0.62 0.10 0.00 -1.03 0.00 0.00 54.13 54.16 1f6s s LEU 3 Cb -0.08 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1f6s s LEU 3 CO 0.02 -4.32 -0.20 0.42 0.23 0.00 0.00 176.35 172.50 1f6s s THR 4 N -2.93 2.18 0.27 5.49 -4.23 -1.26 -4.87 115.64 110.29 1f6s s THR 4 Ca 0.71 -2.19 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1f6s s THR 4 Cb -0.09 -2.12 0.44 0.00 1.34 0.00 0.00 72.50 72.06 1f6s s THR 4 CO 0.56 -0.35 1.52 1.17 -0.54 0.00 0.00 174.62 176.98 1f6s n LYS 5 N -0.18 -0.10 0.14 3.99 4.81 -1.26 -0.02 118.16 125.54 1f6s n LYS 5 Ca -0.09 1.52 0.02 0.00 -0.87 0.00 0.00 58.31 58.89 1f6s n LYS 5 Cb 0.59 -2.26 0.02 0.00 0.02 0.00 0.00 35.03 33.39 1f6s n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1f6s h GLU 7 N 0.00 0.22 0.07 0.00 4.81 -0.83 -2.52 114.58 116.33 1f6s h GLU 7 Ca -0.01 -0.11 -0.24 0.00 -0.13 0.00 0.00 59.36 58.87 1f6s h GLU 7 Cb 1.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1f6s h GLU 7 CO 0.07 0.64 -1.11 0.28 -0.73 0.00 0.00 179.01 178.16 1f6s h VAL 8 N 0.18 1.58 -0.61 0.32 2.07 -0.85 -3.13 116.25 115.81 1f6s h VAL 8 Ca 0.01 -3.13 0.02 0.00 0.82 0.00 0.00 66.70 64.42 1f6s h VAL 8 Cb 0.88 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 1f6s h VAL 8 CO 0.07 0.91 0.39 0.15 0.02 0.00 0.00 177.57 179.10 1f6s h PHE 9 N 0.05 0.73 0.19 1.57 3.57 -1.02 -2.61 116.94 119.43 1f6s h PHE 9 Ca -0.08 0.02 -0.32 0.00 3.53 0.00 0.00 57.97 61.12 1f6s h PHE 9 Cb 1.84 -0.24 0.02 0.00 2.79 0.00 0.00 35.95 40.35 1f6s h PHE 9 CO 0.04 0.44 -1.51 0.07 -2.23 0.00 0.00 178.31 175.11 1f6s h ARG 10 N 0.78 0.41 0.00 1.11 0.11 -1.59 -3.35 114.38 111.84 1f6s h ARG 10 Ca 0.24 -0.69 -0.03 0.00 0.10 0.00 0.00 59.98 59.59 1f6s h ARG 10 Cb -0.03 0.26 -0.00 0.00 1.11 0.00 0.00 29.97 31.31 1f6s h ARG 10 CO -0.08 1.31 -0.13 0.93 0.10 0.00 0.00 179.97 182.11 1f6s h GLU 11 N 0.11 0.00 -1.01 0.08 5.08 -1.51 -2.52 114.58 114.82 1f6s h GLU 11 Ca -0.25 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.61 1f6s h GLU 11 Cb 2.09 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 31.06 1f6s h GLU 11 CO 0.22 0.13 0.63 1.28 -1.00 0.00 0.00 179.01 180.27 1f6s n LEU 12 N -3.94 6.56 -0.23 1.33 4.77 -0.99 -4.62 117.00 119.88 1f6s n LEU 12 Ca -0.02 -3.51 -0.01 0.00 -0.03 0.00 0.00 56.01 52.44 1f6s n LEU 12 Cb 0.22 -0.83 0.21 0.00 -2.33 0.00 0.00 43.42 40.68 1f6s n LEU 12 CO 0.32 1.05 1.20 0.07 -1.33 0.00 0.00 177.39 178.71 1f6s h LYS 13 N 1.03 1.03 0.00 3.23 2.10 -1.62 -2.19 116.57 120.15 1f6s h LYS 13 Ca 0.58 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1f6s h LYS 13 Cb 2.49 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 33.61 1f6s h LYS 13 CO 1.07 0.72 0.00 -0.25 -2.00 0.00 0.00 179.45 178.99 1f6s n ASP 14 N -4.39 0.00 0.01 7.07 8.00 -1.26 -2.15 116.55 123.83 1f6s n ASP 14 Ca 0.08 -0.24 0.11 0.00 0.71 0.00 0.00 54.79 55.45 1f6s n ASP 14 Cb 0.07 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 1f6s n ASP 14 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1f6s n LEU 15 N -1.10 0.57 -4.58 0.64 4.77 -0.82 -4.84 117.00 111.63 1f6s n LEU 15 Ca 0.09 -0.18 -0.52 0.00 -0.03 0.00 0.00 56.01 55.37 1f6s n LEU 15 Cb 0.07 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1f6s n LEU 15 CO 0.08 0.10 1.58 1.17 -1.33 0.00 0.00 177.39 178.99 1f6s n LYS 16 N -1.89 1.35 0.00 3.23 4.81 -0.91 -1.79 118.16 122.95 1f6s n LYS 16 Ca 0.01 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1f6s n LYS 16 Cb 0.44 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.11 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 5.32 3.06 3.74 3.14 0.00 0.31 -5.00 105.19 115.76 1f6s n GLY 17 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.77 2.86 -1.01 1.61 9.36 -0.74 -0.35 117.16 127.12 1f6s n TYR 18 Ca 0.00 0.23 -0.00 0.00 3.32 0.00 0.00 57.90 61.45 1f6s n TYR 18 Cb 0.00 -2.61 -0.00 0.00 -0.63 0.00 0.00 39.34 36.10 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 2.31 0.16 2.06 2.98 0.00 -1.26 -2.32 105.19 109.12 1f6s n GLY 19 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.05 0.29 3.39 -0.02 0.00 0.53 -4.95 105.19 104.48 1f6s n GLY 20 Ca -0.00 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1f6s n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f6s s VAL 21 N -2.15 3.08 0.45 1.61 1.01 -0.98 -4.96 120.40 118.46 1f6s s VAL 21 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1f6s s VAL 21 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1f6s s VAL 21 CO 0.00 0.53 0.73 -0.94 0.00 0.00 0.00 175.10 175.42 1f6s s SER 22 N 0.18 6.21 0.16 3.32 1.04 -1.26 -0.53 113.70 122.82 1f6s s SER 22 Ca -0.07 0.77 -0.16 0.00 0.48 0.00 0.00 55.95 56.97 1f6s s SER 22 Cb -0.15 -2.13 0.07 0.00 0.10 0.00 0.00 66.02 63.91 1f6s s SER 22 CO 0.05 -0.54 1.77 -0.07 0.98 0.00 0.00 173.24 175.42 1f6s h LEU 23 N 0.34 0.22 -0.91 2.42 3.38 -1.94 -2.33 115.31 116.49 1f6s h LEU 23 Ca -0.47 0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.67 1f6s h LEU 23 Cb 1.21 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 1f6s h LEU 23 CO 0.61 0.17 0.52 -0.65 0.09 0.00 0.00 178.44 179.18 1f6s h PRO 24 N 0.35 0.72 -0.97 1.13 0.11 -1.94 0.43 132.00 131.83 1f6s h PRO 24 Ca 0.17 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.25 1f6s h PRO 24 Cb 0.11 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 31.01 1f6s h PRO 24 CO -0.14 0.48 0.65 0.93 -0.21 0.00 0.00 178.00 179.70 1f6s h GLU 25 N 0.74 1.28 -0.23 1.05 5.08 -1.73 -0.70 114.58 120.08 1f6s h GLU 25 Ca 0.49 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.65 1f6s h GLU 25 Cb 0.65 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1f6s h GLU 25 CO -0.34 0.85 -0.33 -1.49 -1.00 0.00 0.00 179.01 176.70 1f6s h TRP 26 N 1.32 0.78 -0.65 4.33 -0.00 -0.00 0.24 115.95 121.97 1f6s h TRP 26 Ca 0.36 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.89 58.98 1f6s h TRP 26 Cb -0.15 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 28.83 1f6s h TRP 26 CO -0.00 1.00 0.37 0.28 -0.00 0.00 0.00 178.44 180.09 1f6s h VAL 27 N 0.34 1.20 0.08 1.49 2.07 -0.08 0.10 116.25 121.45 1f6s h VAL 27 Ca 0.02 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1f6s h VAL 27 Cb 0.91 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1f6s h VAL 27 CO 0.08 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 177.84 1f6s h THR 29 N -0.44 1.07 -0.14 0.00 2.02 -0.29 -2.42 112.91 112.71 1f6s h THR 29 Ca -0.01 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1f6s h THR 29 Cb 0.38 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1f6s h THR 29 CO 0.02 0.16 -0.32 0.71 0.37 0.00 0.00 175.52 176.46 1f6s h THR 30 N 0.90 1.27 -0.21 3.16 1.35 -0.83 -2.42 112.91 116.13 1f6s h THR 30 Ca 0.31 -1.30 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 1f6s h THR 30 Cb 0.07 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1f6s h THR 30 CO -0.13 0.39 0.09 0.15 -0.25 0.00 0.00 175.52 175.77 1f6s h PHE 31 N 0.23 0.31 0.00 4.73 3.57 -1.18 -0.70 116.94 123.91 1f6s h PHE 31 Ca 0.03 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1f6s h PHE 31 Cb 0.68 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1f6s h PHE 31 CO 0.01 0.35 0.00 0.72 -2.23 0.00 0.00 178.31 177.16 1f6s n HIS 32 N -4.83 0.00 -0.04 0.41 8.25 -1.00 -0.45 115.22 117.57 1f6s n HIS 32 Ca -0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 1f6s n HIS 32 Cb 0.12 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1f6s n HIS 32 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1f6s n THR 33 N -0.81 0.42 -0.73 1.59 -2.24 -0.93 -4.85 114.28 106.73 1f6s n THR 33 Ca 0.13 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1f6s n THR 33 Cb 0.06 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1f6s n THR 33 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1f6s n SER 34 N -2.64 0.18 -2.44 3.42 3.41 -0.31 -4.90 113.62 110.34 1f6s n SER 34 Ca -0.13 -0.92 -0.19 0.00 -0.26 0.00 0.00 58.87 57.37 1f6s n SER 34 Cb 0.65 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.63 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 0.02 -0.37 2.54 5.00 0.00 0.40 -2.25 105.19 110.53 1f6s n GLY 35 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.24 0.00 -3.40 1.61 0.53 -1.24 -4.84 117.16 105.59 1f6s n TYR 36 Ca -0.14 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.32 1f6s n TYR 36 Cb 0.63 -1.83 -0.09 0.00 -1.03 0.00 0.00 39.34 37.01 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 -2.39 6.16 0.00 7.72 2.15 -0.95 -0.89 116.67 128.47 1f6s s ASP 37 Ca 0.00 -0.55 0.14 0.00 0.43 0.00 0.00 52.55 52.58 1f6s s ASP 37 Cb 0.00 -2.19 0.62 0.00 -0.30 0.00 0.00 42.92 41.04 1f6s s ASP 37 CO 0.00 -0.44 1.46 0.35 -0.17 0.00 0.00 175.17 176.37 1f6s n THR 38 N 5.28 1.00 -0.51 1.71 -2.24 -0.92 -2.45 114.28 116.15 1f6s n THR 38 Ca -0.09 0.25 0.07 0.00 -2.27 0.00 0.00 64.05 62.01 1f6s n THR 38 Cb 0.48 -1.00 0.21 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.50 2.96 -1.94 -0.78 6.02 -1.26 -4.03 117.38 116.85 1f6s n GLN 39 Ca 0.04 -2.41 -0.42 0.00 -0.01 0.00 0.00 57.00 54.20 1f6s n GLN 39 Cb 0.17 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.74 3.75 -0.08 -1.58 0.00 -1.02 -4.81 121.76 116.28 1f6s s ALA 40 Ca 0.32 1.37 -0.00 0.00 0.00 0.00 0.00 51.96 53.65 1f6s s ALA 40 Cb 0.22 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1f6s s ALA 40 CO 0.14 -0.78 -0.04 0.42 0.00 0.00 0.00 175.76 175.50 1f6s s ILE 41 N 0.88 0.67 -0.03 0.00 1.01 -1.26 -1.10 121.20 121.37 1f6s s ILE 41 Ca 0.68 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.25 1f6s s ILE 41 Cb -0.43 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.30 1f6s s ILE 41 CO 0.34 0.29 -0.12 -0.69 0.00 0.00 0.00 174.94 174.77 1f6s s VAL 42 N 1.51 0.99 -0.17 2.92 1.01 -0.79 -4.99 120.40 120.89 1f6s s VAL 42 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1f6s s VAL 42 Cb -0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1f6s s VAL 42 CO -0.04 0.30 0.02 -1.10 0.00 0.00 0.00 175.10 174.28 1f6s s GLN 43 N 0.13 3.81 0.00 2.72 -0.21 -1.26 -0.46 119.66 124.39 1f6s s GLN 43 Ca -0.03 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 54.93 1f6s s GLN 43 Cb -0.09 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.85 1f6s s GLN 43 CO 0.01 0.28 0.00 0.27 -2.12 0.00 0.00 175.29 173.73 1f6s n ASN 44 N 3.47 0.00 0.00 5.90 0.23 -0.91 -5.03 115.26 118.92 1f6s n ASN 44 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 1f6s n ASN 44 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 1f6s n ASN 44 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1f6s n ASN 45 N 0.00 0.00 -3.26 0.53 3.02 -1.26 -4.40 115.26 109.90 1f6s n ASN 45 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.30 1f6s n ASN 45 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1f6s n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1f6s n ASP 46 N 0.00 2.26 -3.59 6.41 8.00 -1.26 -5.04 116.55 123.33 1f6s n ASP 46 Ca 0.00 -3.16 -0.06 0.00 0.71 0.00 0.00 54.79 52.28 1f6s n ASP 46 Cb 0.00 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.42 1f6s n ASP 46 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1f6s s SER 47 N -2.13 -0.22 -0.05 -2.24 1.04 -1.26 -4.98 113.70 103.87 1f6s s SER 47 Ca 0.39 0.15 0.06 0.00 0.48 0.00 0.00 55.95 57.04 1f6s s SER 47 Cb 0.19 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 1f6s s SER 47 CO -0.07 -0.26 -0.24 -0.89 0.98 0.00 0.00 173.24 172.77 1f6s s THR 48 N -1.65 2.21 -0.12 2.02 2.01 -1.26 -2.13 115.64 116.71 1f6s s THR 48 Ca 0.05 -1.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.01 1f6s s THR 48 Cb -0.01 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1f6s s THR 48 CO -0.04 0.57 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.79 1f6s s GLU 49 N -0.37 3.32 0.02 4.92 2.02 0.39 -1.22 118.70 127.78 1f6s s GLU 49 Ca 0.03 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.52 1f6s s GLU 49 Cb -0.12 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 1f6s s GLU 49 CO 0.02 0.36 -0.22 0.71 0.02 0.00 0.00 175.26 176.15 1f6s s TYR 50 N 0.00 2.45 0.00 1.61 2.02 0.32 -1.89 117.35 121.86 1f6s s TYR 50 Ca -0.01 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1f6s s TYR 50 Cb -0.14 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1f6s s TYR 50 CO 0.03 0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.56 1f6s n GLY 51 N 1.90 -1.51 0.36 0.71 0.00 -0.26 -1.30 105.19 105.08 1f6s n GLY 51 Ca -0.16 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 0.69 -1.18 0.99 5.85 -1.70 -1.66 115.31 118.30 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 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1f6s h LEU 52 CO 0.00 0.43 -0.17 0.49 -0.34 0.00 0.00 178.44 178.85 1f6s n PHE 53 N -4.49 0.00 -3.62 1.25 3.72 -1.26 -4.31 117.46 108.75 1f6s n PHE 53 Ca 0.12 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.23 1f6s n PHE 53 Cb 0.26 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.33 -1.33 -2.93 -1.08 1.13 -0.62 -4.93 117.38 107.94 1f6s n GLN 54 Ca 0.14 0.52 -0.41 0.00 -1.94 0.00 0.00 57.00 55.31 1f6s n GLN 54 Cb 0.46 -4.32 -0.04 0.00 0.11 0.00 0.00 30.24 26.45 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 -3.44 4.98 0.57 5.09 1.01 -0.42 -4.50 121.20 124.48 1f6s s ILE 55 Ca 0.47 1.64 -0.07 0.00 0.00 0.00 0.00 60.65 62.68 1f6s s ILE 55 Cb -0.15 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1f6s s ILE 55 CO 0.85 0.20 0.91 0.54 0.00 0.00 0.00 174.94 177.44 1f6s s ASN 56 N 0.90 5.99 -0.23 3.58 2.20 -1.26 -0.53 114.94 125.58 1f6s s ASN 56 Ca 0.42 1.01 0.13 0.00 -0.94 0.00 0.00 52.86 53.48 1f6s s ASN 56 Cb -0.19 -2.12 0.77 0.00 -2.00 0.00 0.00 41.25 37.71 1f6s s ASN 56 CO 0.20 -0.86 1.69 -0.46 -2.94 0.00 0.00 177.10 174.73 1f6s n ASN 57 N -2.55 5.41 -0.04 3.54 6.94 -0.35 -2.78 115.26 125.43 1f6s n ASN 57 Ca 0.04 -2.91 -0.21 0.00 -0.02 0.00 0.00 54.58 51.48 1f6s n ASN 57 Cb 0.56 -0.68 -0.13 0.00 -2.36 0.00 0.00 39.78 37.16 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 3.66 0.13 0.00 -3.83 3.64 -1.84 -3.43 116.57 114.90 1f6s h LYS 58 Ca 0.03 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1f6s h LYS 58 Cb 1.94 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1f6s h LYS 58 CO 0.49 1.11 -0.00 0.44 -2.27 0.00 0.00 179.45 179.22 1f6s n ILE 59 N -4.09 0.00 0.01 2.00 -5.35 -1.26 -3.37 119.36 107.30 1f6s n ILE 59 Ca -0.28 -0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 61.99 1f6s n ILE 59 Cb 0.81 0.37 -0.14 0.00 -1.74 0.00 0.00 39.64 38.94 1f6s n ILE 59 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 1f6s h TRP 60 N 0.00 0.48 -3.95 4.28 4.06 -1.86 0.58 115.95 119.53 1f6s h TRP 60 Ca 0.00 -0.35 -0.13 0.00 2.06 0.00 0.00 58.89 60.47 1f6s h TRP 60 Cb 0.00 -0.02 -0.17 0.00 -1.00 0.00 0.00 29.16 27.97 1f6s h TRP 60 CO 0.00 1.75 -0.59 0.00 -3.56 0.00 0.00 178.44 176.04 1f6s s LYS 62 N -2.86 2.60 0.15 0.00 -2.85 -0.88 -4.18 119.74 111.71 1f6s s LYS 62 Ca -0.03 -0.73 0.03 0.00 -1.00 0.00 0.00 55.97 54.24 1f6s s LYS 62 Cb 0.00 -2.55 -0.01 0.00 -2.06 0.00 0.00 37.83 33.21 1f6s s LYS 62 CO -0.06 0.59 0.12 -0.40 0.10 0.00 0.00 175.35 175.70 1f6s n ASP 63 N 1.24 -0.19 0.21 0.03 5.68 -1.26 -1.54 116.55 120.72 1f6s n ASP 63 Ca -0.14 -1.97 0.08 0.00 -0.50 0.00 0.00 54.79 52.26 1f6s n ASP 63 Cb 0.52 0.71 0.45 0.00 -1.14 0.00 0.00 41.12 41.67 1f6s n ASP 63 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1f6s h ASP 64 N 0.89 0.00 -0.36 -1.12 3.32 -1.99 -3.00 116.42 114.16 1f6s h ASP 64 Ca -0.11 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1f6s h ASP 64 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1f6s h ASP 64 CO 0.16 0.28 -0.16 -0.61 -1.72 0.00 0.00 179.24 177.19 1f6s h GLN 65 N 0.00 0.83 -2.44 3.56 4.15 -1.98 -3.37 115.11 115.85 1f6s h GLN 65 Ca -0.00 -0.31 -0.59 0.00 0.77 0.00 0.00 58.65 58.52 1f6s h GLN 65 Cb 0.72 -0.05 -0.38 0.00 0.21 0.00 0.00 27.48 27.97 1f6s h GLN 65 CO 0.04 0.93 -0.93 -1.71 -1.93 0.00 0.00 178.83 175.23 1f6s n ASN 66 N -4.13 -0.09 0.05 -0.69 4.05 -1.16 -4.94 115.26 108.34 1f6s n ASN 66 Ca 0.01 -2.47 0.06 0.00 0.45 0.00 0.00 54.58 52.63 1f6s n ASN 66 Cb 0.41 -0.57 0.29 0.00 1.23 0.00 0.00 39.78 41.13 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 2.72 0.06 -0.65 1.20 -0.02 -1.14 -1.91 135.00 135.26 1f6s n PRO 67 Ca 0.29 0.42 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 1f6s n PRO 67 Cb 0.47 -1.64 0.29 0.00 -0.02 0.00 0.00 33.50 32.60 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 -1.76 1.50 -2.02 6.00 8.25 -1.26 -4.96 115.22 120.97 1f6s n HIS 68 Ca 0.01 -0.52 -0.38 0.00 -0.26 0.00 0.00 57.72 56.57 1f6s n HIS 68 Cb 0.11 -0.39 0.01 0.00 1.12 0.00 0.00 29.99 30.84 1f6s n HIS 68 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1f6s s SER 69 N -0.57 5.85 0.53 0.41 0.15 -0.80 -4.86 113.70 114.40 1f6s s SER 69 Ca 0.39 2.57 0.21 0.00 0.70 0.00 0.00 55.95 59.82 1f6s s SER 69 Cb 0.30 -2.62 1.37 0.00 -1.71 0.00 0.00 66.02 63.36 1f6s s SER 69 CO 0.12 -1.16 2.10 0.28 1.20 0.00 0.00 173.24 175.78 1f6s h SER 70 N 1.96 0.00 -6.42 5.45 0.02 -1.73 -3.46 113.55 109.36 1f6s h SER 70 Ca -0.50 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 59.97 1f6s h SER 70 Cb 1.27 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.84 1f6s h SER 70 CO 0.60 0.00 -0.94 -3.20 -1.14 0.00 0.00 176.83 172.14 1f6s n ASN 71 N -4.39 -3.86 0.10 3.07 5.15 -0.77 -4.86 115.26 109.70 1f6s n ASN 71 Ca 0.02 -1.07 0.05 0.00 -0.60 0.00 0.00 54.58 52.98 1f6s n ASN 71 Cb 0.28 -2.99 0.47 0.00 -0.53 0.00 0.00 39.78 37.02 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 -2.01 1.09 -0.12 -1.44 2.04 0.22 -1.23 117.51 116.06 1f6s h ILE 72 Ca -0.67 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 64.92 1f6s h ILE 72 Cb 1.37 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1f6s h ILE 72 CO 0.52 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.78 1f6s n ASN 74 N -0.13 -4.61 -3.51 0.00 5.15 -0.47 -4.95 115.26 106.75 1f6s n ASN 74 Ca 0.12 -1.12 -0.10 0.00 -0.60 0.00 0.00 54.58 52.88 1f6s n ASN 74 Cb 0.19 -1.90 -0.03 0.00 -0.53 0.00 0.00 39.78 37.51 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 -3.30 0.00 0.07 -1.44 2.07 -1.26 -5.10 121.20 112.24 1f6s s ILE 75 Ca 0.29 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.27 1f6s s ILE 75 Cb -0.15 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.38 1f6s s ILE 75 CO 0.93 0.00 0.83 -0.55 -1.91 0.00 0.00 174.94 174.24 1f6s s SER 76 N -2.13 7.31 0.51 4.50 0.15 -1.26 -2.07 113.70 120.71 1f6s s SER 76 Ca 0.02 1.56 0.20 0.00 0.70 0.00 0.00 55.95 58.43 1f6s s SER 76 Cb -0.01 -2.51 1.29 0.00 -1.71 0.00 0.00 66.02 63.09 1f6s s SER 76 CO -0.06 -0.00 2.04 0.00 1.20 0.00 0.00 173.24 176.42 1f6s h ASP 78 N 0.07 0.00 0.53 0.00 2.03 -1.93 0.92 116.42 118.04 1f6s h ASP 78 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1f6s h ASP 78 Cb 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1f6s h ASP 78 CO -0.01 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.49 1f6s n LYS 79 N -3.15 0.13 -0.45 4.15 4.76 -0.66 -1.47 118.16 121.48 1f6s n LYS 79 Ca -0.03 0.42 0.07 0.00 -2.87 0.00 0.00 58.31 55.90 1f6s n LYS 79 Cb 0.08 -1.78 0.26 0.00 -1.84 0.00 0.00 35.03 31.75 1f6s n LYS 79 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1f6s n PHE 80 N -2.04 1.08 0.18 2.13 0.99 0.32 -3.96 117.46 116.16 1f6s n PHE 80 Ca 0.02 -0.43 0.02 0.00 -0.00 0.00 0.00 57.45 57.06 1f6s n PHE 80 Cb 0.17 -0.19 -0.01 0.00 -1.00 0.00 0.00 39.48 38.45 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 0.75 0.38 0.00 4.37 4.77 -0.54 -3.19 117.00 123.53 1f6s n LEU 81 Ca 0.19 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1f6s n LEU 81 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1f6s n LEU 81 CO 0.17 0.09 0.00 -0.90 -1.33 0.00 0.00 177.39 175.42 1f6s n ASP 82 N -0.86 0.00 -0.89 -1.43 5.68 -1.25 -4.48 116.55 113.31 1f6s n ASP 82 Ca 0.01 -0.90 0.12 0.00 -0.50 0.00 0.00 54.79 53.52 1f6s n ASP 82 Cb 0.07 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.28 1f6s n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1f6s n ASP 83 N -2.71 2.74 -4.44 -1.12 8.00 -1.26 -4.80 116.55 112.96 1f6s n ASP 83 Ca 0.00 -1.89 -0.43 0.00 0.71 0.00 0.00 54.79 53.18 1f6s n ASP 83 Cb 0.00 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 40.93 1f6s n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1f6s s ASP 84 N -1.81 6.15 0.00 -2.24 2.15 -1.26 -4.93 116.67 114.73 1f6s s ASP 84 Ca 0.33 -0.96 0.16 0.00 0.43 0.00 0.00 52.55 52.51 1f6s s ASP 84 Cb 0.21 -2.20 0.85 0.00 -0.30 0.00 0.00 42.92 41.48 1f6s s ASP 84 CO 0.31 -0.58 1.56 0.18 -0.17 0.00 0.00 175.17 176.47 1f6s n LEU 85 N 5.38 0.39 -0.02 -1.34 4.77 -1.26 -4.26 117.00 120.67 1f6s n LEU 85 Ca -0.10 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.61 1f6s n LEU 85 Cb 0.46 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1f6s n LEU 85 CO 0.45 0.08 0.92 0.74 -1.33 0.00 0.00 177.39 178.26 1f6s h THR 86 N 0.50 1.02 -0.05 -5.08 2.02 -1.94 -1.61 112.91 107.77 1f6s h THR 86 Ca 0.00 -0.06 -0.21 0.00 0.77 0.00 0.00 66.41 66.91 1f6s h THR 86 Cb 0.11 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1f6s h THR 86 CO 0.00 0.03 -0.85 -2.24 0.37 0.00 0.00 175.52 172.83 1f6s h ASP 87 N 0.17 0.61 -0.82 4.18 3.04 -1.92 -2.90 116.42 118.79 1f6s h ASP 87 Ca 0.05 -0.45 0.14 0.00 -3.24 0.00 0.00 57.03 53.54 1f6s h ASP 87 Cb -0.01 -0.18 -0.09 0.00 -1.04 0.00 0.00 39.33 38.01 1f6s h ASP 87 CO -0.02 1.22 0.40 0.44 -2.04 0.00 0.00 179.24 179.24 1f6s h ASP 88 N 0.31 0.46 -0.42 4.15 5.19 -1.76 -1.64 116.42 122.71 1f6s h ASP 88 Ca -0.06 0.09 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 1f6s h ASP 88 Cb 1.47 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 1f6s h ASP 88 CO 0.15 0.20 -0.09 0.40 -3.12 0.00 0.00 179.24 176.78 1f6s h ILE 89 N 0.58 1.27 -0.48 0.35 2.04 -1.27 -1.38 117.51 118.62 1f6s h ILE 89 Ca 0.44 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1f6s h ILE 89 Cb 0.63 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1f6s h ILE 89 CO -0.37 0.40 0.32 0.24 0.00 0.00 0.00 178.15 178.74 1f6s h MET 90 N 0.63 0.50 -0.06 2.37 2.86 -1.11 -0.35 114.93 119.76 1f6s h MET 90 Ca 0.11 -0.03 -0.22 0.00 -2.06 0.00 0.00 59.70 57.50 1f6s h MET 90 Cb 0.61 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1f6s h MET 90 CO 0.04 0.33 -0.86 0.00 1.06 0.00 0.00 176.91 177.48 1f6s h VAL 92 N 0.35 1.26 -0.76 0.00 2.07 -0.05 -1.08 116.25 118.03 1f6s h VAL 92 Ca -0.07 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1f6s h VAL 92 Cb 1.48 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1f6s h VAL 92 CO 0.16 0.27 0.32 0.11 0.02 0.00 0.00 177.57 178.45 1f6s h LYS 93 N 1.31 1.12 -0.68 1.57 1.57 -1.10 -0.03 116.57 120.33 1f6s h LYS 93 Ca 0.34 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1f6s h LYS 93 Cb -0.05 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1f6s h LYS 93 CO -0.06 0.90 0.25 0.87 -0.57 0.00 0.00 179.45 180.83 1f6s h LYS 94 N 1.10 1.03 -0.56 3.15 1.57 -1.17 -0.19 116.57 121.50 1f6s h LYS 94 Ca 0.26 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1f6s h LYS 94 Cb 0.18 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1f6s h LYS 94 CO -0.02 0.87 0.29 0.82 -0.57 0.00 0.00 179.45 180.84 1f6s h ILE 95 N 0.97 1.19 -0.40 1.86 2.04 -0.69 -2.10 117.51 120.39 1f6s h ILE 95 Ca 0.22 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1f6s h ILE 95 Cb 0.24 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1f6s h ILE 95 CO -0.01 0.21 0.25 -0.07 0.00 0.00 0.00 178.15 178.53 1f6s h LEU 96 N 0.76 0.47 -1.64 1.44 3.38 -0.59 0.24 115.31 119.36 1f6s h LEU 96 Ca 0.20 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1f6s h LEU 96 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1f6s h LEU 96 CO -0.03 0.36 0.26 0.44 0.09 0.00 0.00 178.44 179.56 1f6s h ASP 97 N 0.53 0.41 0.00 -0.43 3.32 -0.75 -2.48 116.42 117.03 1f6s h ASP 97 Ca 0.14 -0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.94 1f6s h ASP 97 Cb -0.03 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1f6s h ASP 97 CO -0.03 0.30 -1.61 0.29 -1.72 0.00 0.00 179.24 176.47 1f6s n LYS 98 N -4.48 0.55 -0.00 3.56 5.02 -0.81 -4.78 118.16 117.22 1f6s n LYS 98 Ca 0.03 0.38 0.04 0.00 -2.02 0.00 0.00 58.31 56.73 1f6s n LYS 98 Cb 0.09 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.48 1f6s n LYS 98 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1f6s n VAL 99 N -4.39 0.00 -0.70 -0.18 0.24 0.79 -5.10 118.33 108.99 1f6s n VAL 99 Ca -0.34 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1f6s n VAL 99 Cb 0.67 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 1f6s n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1f6s n GLY 100 N 1.28 -2.66 0.22 7.63 0.00 -0.83 -4.37 105.19 106.46 1f6s n GLY 100 Ca 0.01 -1.68 0.15 0.00 0.00 0.00 0.00 46.02 44.50 1f6s n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1f6s h ILE 101 N 0.00 0.00 0.00 -0.61 6.09 -1.88 -2.86 117.51 118.25 1f6s h ILE 101 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 1f6s h ILE 101 Cb 0.00 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.24 1f6s h ILE 101 CO 0.00 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.67 1f6s n ASN 102 N -2.61 0.00 0.21 2.19 3.02 -1.26 -2.26 115.26 114.54 1f6s n ASN 102 Ca -0.00 -0.73 0.04 0.00 -0.03 0.00 0.00 54.58 53.85 1f6s n ASN 102 Cb 0.15 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.76 1f6s n ASN 102 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1f6s h TYR 103 N 0.00 0.01 -3.18 3.10 3.20 -1.75 -3.35 116.97 114.99 1f6s h TYR 103 Ca 0.00 -0.00 -0.74 0.00 3.14 0.00 0.00 58.73 61.13 1f6s h TYR 103 Cb 0.00 -0.00 -0.23 0.00 1.54 0.00 0.00 36.73 38.04 1f6s h TYR 103 CO 0.00 0.27 -0.23 -1.58 -1.64 0.00 0.00 178.16 174.98 1f6s s TRP 104 N -4.46 3.22 0.46 -3.82 0.51 -0.96 -4.95 118.94 108.94 1f6s s TRP 104 Ca -0.03 -1.07 0.15 0.00 -2.12 0.00 0.00 56.10 53.03 1f6s s TRP 104 Cb 0.15 -3.53 1.10 0.00 -0.81 0.00 0.00 33.47 30.38 1f6s s TRP 104 CO 0.71 -0.94 2.03 -0.07 -0.51 0.00 0.00 176.95 178.16 1f6s h LEU 105 N 8.95 0.27 -2.45 2.99 3.38 -1.84 -2.22 115.31 124.39 1f6s h LEU 105 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1f6s h LEU 105 Cb 1.10 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1f6s h LEU 105 CO 0.97 0.17 -0.01 0.00 0.09 0.00 0.00 178.44 179.66 1f6s h ALA 106 N 1.76 1.45 0.14 1.53 0.00 -1.91 -3.05 119.26 119.18 1f6s h ALA 106 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1f6s h ALA 106 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1f6s h ALA 106 CO -0.04 0.02 -0.07 1.25 0.00 0.00 0.00 179.25 180.41 1f6s h HIS 107 N 0.00 -0.18 -0.21 0.00 -0.00 -1.71 -1.33 115.15 111.72 1f6s h HIS 107 Ca -0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.24 1f6s h HIS 107 Cb 0.04 0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1f6s h HIS 107 CO 0.00 0.02 -0.35 -0.22 -0.00 0.00 0.00 177.93 177.39 1f6s h LYS 108 N -0.35 0.60 0.69 5.26 3.64 -1.74 -1.46 116.57 123.21 1f6s h LYS 108 Ca -0.02 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1f6s h LYS 108 Cb 0.28 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1f6s h LYS 108 CO 0.03 0.98 -0.33 0.00 -2.27 0.00 0.00 179.45 177.86 1f6s h ALA 109 N 0.62 -0.93 0.00 5.00 0.00 -1.56 -3.40 119.26 118.99 1f6s h ALA 109 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1f6s h ALA 109 Cb 0.94 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1f6s h ALA 109 CO 0.08 -0.99 0.00 1.28 0.00 0.00 0.00 179.25 179.62 1f6s n LEU 110 N -5.46 0.46 -0.40 0.00 4.77 -0.54 -4.81 117.00 111.02 1f6s n LEU 110 Ca -0.13 -0.72 0.07 0.00 -0.03 0.00 0.00 56.01 55.20 1f6s n LEU 110 Cb 0.38 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.66 1f6s n LEU 110 CO 0.37 0.11 0.44 0.00 -1.33 0.00 0.00 177.39 176.98 1f6s n SER 112 N -1.24 0.23 -3.61 0.00 2.88 -0.65 -4.75 113.62 106.48 1f6s n SER 112 Ca 0.18 0.10 -0.18 0.00 -1.33 0.00 0.00 58.87 57.65 1f6s n SER 112 Cb 0.67 0.94 -0.09 0.00 -0.75 0.00 0.00 64.21 64.99 1f6s n SER 112 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1f6s s GLU 113 N -2.76 1.62 -1.51 -1.46 -1.05 -1.26 -4.89 118.70 107.38 1f6s s GLU 113 Ca -0.08 -1.92 -0.06 0.00 -0.15 0.00 0.00 54.97 52.76 1f6s s GLU 113 Cb 0.08 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 34.05 1f6s s GLU 113 CO 0.84 -0.57 0.73 1.17 0.95 0.00 0.00 175.26 178.38 1f6s n LYS 114 N -0.54 -5.52 0.00 -4.83 3.00 -1.26 -4.88 118.16 104.13 1f6s n LYS 114 Ca 0.06 0.88 0.07 0.00 -0.00 0.00 0.00 58.31 59.31 1f6s n LYS 114 Cb 0.63 -5.78 0.39 0.00 0.00 0.00 0.00 35.03 30.28 1f6s n LYS 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1f6s n LEU 115 N -4.25 0.00 0.01 3.14 4.77 -1.26 -3.92 117.00 115.48 1f6s n LEU 115 Ca -0.08 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.92 1f6s n LEU 115 Cb 0.60 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 42.06 1f6s n LEU 115 CO 0.52 0.00 1.05 0.44 -1.33 0.00 0.00 177.39 178.07 1f6s h ASP 116 N 0.00 0.47 0.43 -1.43 3.32 -1.99 -2.14 116.42 115.07 1f6s h ASP 116 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1f6s h ASP 116 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1f6s h ASP 116 CO 0.00 0.44 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 1f6s n GLN 117 N -4.38 0.11 -0.74 3.56 10.64 -1.25 -2.78 117.38 122.54 1f6s n GLN 117 Ca 0.02 0.43 -0.02 0.00 -1.83 0.00 0.00 57.00 55.61 1f6s n GLN 117 Cb 0.15 -1.75 0.20 0.00 -0.86 0.00 0.00 30.24 27.99 1f6s n GLN 117 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1f6s n TRP 118 N -1.96 0.85 -3.41 2.61 7.02 -0.81 -4.92 117.44 116.82 1f6s n TRP 118 Ca 0.01 -1.55 -0.45 0.00 -1.02 0.00 0.00 57.50 54.50 1f6s n TRP 118 Cb 0.14 -0.43 -0.04 0.00 -2.42 0.00 0.00 31.31 28.56 1f6s n TRP 118 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1f6s s LEU 119 N -3.23 6.40 0.56 -0.99 1.43 -1.12 -4.55 118.68 117.19 1f6s s LEU 119 Ca 0.43 -2.66 -0.21 0.00 -1.03 0.00 0.00 54.13 50.66 1f6s s LEU 119 Cb 0.40 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1f6s s LEU 119 CO -0.01 -0.55 1.33 0.00 0.23 0.00 0.00 176.35 177.34