#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 4.64 0.27 5.31 -1.52 -1.26 -2.08 119.66 125.02 1f6s s GLN 2 Ca 0.00 1.73 0.07 0.00 -1.95 0.00 0.00 55.36 55.21 1f6s s GLN 2 Cb 0.00 -3.15 -0.06 0.00 -0.22 0.00 0.00 33.01 29.58 1f6s s GLN 2 CO 0.00 0.23 -0.07 -0.51 -0.25 0.00 0.00 175.29 174.69 1f6s s LEU 3 N -1.50 2.50 0.08 2.90 1.43 -1.01 -4.99 118.68 118.09 1f6s s LEU 3 Ca 0.45 -1.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1f6s s LEU 3 Cb -0.30 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1f6s s LEU 3 CO 0.39 -0.31 0.02 0.42 0.23 0.00 0.00 176.35 177.10 1f6s s THR 4 N -2.98 4.17 0.39 5.49 -4.23 -1.26 -4.86 115.64 112.36 1f6s s THR 4 Ca 0.29 -0.91 0.20 0.00 -1.18 0.00 0.00 61.69 60.09 1f6s s THR 4 Cb 0.03 -2.99 0.40 0.00 1.34 0.00 0.00 72.50 71.28 1f6s s THR 4 CO 0.12 0.13 1.70 0.07 -0.54 0.00 0.00 174.62 176.10 1f6s h LYS 5 N 3.43 0.30 -0.23 3.99 2.10 -1.97 0.40 116.57 124.59 1f6s h LYS 5 Ca -0.47 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.05 1f6s h LYS 5 Cb 1.16 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1f6s h LYS 5 CO 0.61 0.20 -0.32 0.00 -2.00 0.00 0.00 179.45 177.94 1f6s h GLU 7 N 0.41 0.13 -1.00 0.00 5.08 -0.63 -3.05 114.58 115.52 1f6s h GLU 7 Ca 0.05 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1f6s h GLU 7 Cb 0.76 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 1f6s h GLU 7 CO 0.06 0.56 0.63 0.28 -1.00 0.00 0.00 179.01 179.55 1f6s h VAL 8 N -0.29 0.98 -0.35 3.13 2.07 -1.23 -1.91 116.25 118.65 1f6s h VAL 8 Ca 0.01 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1f6s h VAL 8 Cb 0.53 -0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1f6s h VAL 8 CO 0.01 0.19 -0.07 0.15 0.02 0.00 0.00 177.57 177.87 1f6s h PHE 9 N 1.05 -0.15 -0.12 1.57 3.57 -1.22 -0.96 116.94 120.68 1f6s h PHE 9 Ca 0.47 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.84 1f6s h PHE 9 Cb 0.38 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1f6s h PHE 9 CO -0.00 -0.14 -0.62 0.07 -2.23 0.00 0.00 178.31 175.39 1f6s h ARG 10 N 0.02 0.43 -0.26 1.11 0.11 -1.38 -3.31 114.38 111.11 1f6s h ARG 10 Ca 0.17 -0.30 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 1f6s h ARG 10 Cb 0.26 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 1f6s h ARG 10 CO -0.35 0.92 0.09 0.93 0.10 0.00 0.00 179.97 181.66 1f6s h GLU 11 N 0.32 0.39 -0.52 0.08 4.39 -0.84 -2.92 114.58 115.48 1f6s h GLU 11 Ca -0.01 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1f6s h GLU 11 Cb 1.17 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1f6s h GLU 11 CO 0.11 0.45 0.00 1.28 -1.16 0.00 0.00 179.01 179.68 1f6s n LEU 12 N -4.76 0.65 -0.32 1.33 4.77 -0.41 -4.42 117.00 113.84 1f6s n LEU 12 Ca -0.03 -0.33 0.11 0.00 -0.03 0.00 0.00 56.01 55.73 1f6s n LEU 12 Cb 0.14 -0.27 0.22 0.00 -2.33 0.00 0.00 43.42 41.19 1f6s n LEU 12 CO 0.36 0.15 0.69 1.17 -1.33 0.00 0.00 177.39 178.43 1f6s n LYS 13 N -0.20 -0.08 0.00 3.23 3.00 -1.11 0.56 118.16 123.57 1f6s n LYS 13 Ca 0.01 1.40 0.06 0.00 -0.00 0.00 0.00 58.31 59.78 1f6s n LYS 13 Cb 0.15 -2.19 0.27 0.00 0.00 0.00 0.00 35.03 33.27 1f6s n LYS 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1f6s n ASP 14 N -5.41 0.00 -0.00 3.14 9.92 -1.26 -2.70 116.55 120.24 1f6s n ASP 14 Ca 0.19 0.29 0.10 0.00 -0.53 0.00 0.00 54.79 54.84 1f6s n ASP 14 Cb 0.63 -0.38 -0.11 0.00 -0.64 0.00 0.00 41.12 40.62 1f6s n ASP 14 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1f6s n LEU 15 N -1.38 0.90 -4.61 0.64 4.77 0.19 -4.85 117.00 112.67 1f6s n LEU 15 Ca 0.04 -0.44 -0.49 0.00 -0.03 0.00 0.00 56.01 55.09 1f6s n LEU 15 Cb 0.11 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1f6s n LEU 15 CO 0.10 0.22 0.94 1.17 -1.33 0.00 0.00 177.39 178.49 1f6s n LYS 16 N -1.56 1.48 0.00 3.23 4.81 -1.10 -1.39 118.16 123.63 1f6s n LYS 16 Ca 0.03 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1f6s n LYS 16 Cb 0.35 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.23 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 2.57 0.72 3.69 3.14 0.00 0.83 -4.92 105.19 111.23 1f6s n GLY 17 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.85 2.59 -1.36 1.61 9.36 -0.48 -0.27 117.16 126.76 1f6s n TYR 18 Ca 0.00 -0.02 -0.12 0.00 3.32 0.00 0.00 57.90 61.07 1f6s n TYR 18 Cb 0.00 -2.68 -0.05 0.00 -0.63 0.00 0.00 39.34 35.97 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 4.04 1.28 2.10 2.98 0.00 -1.26 -2.06 105.19 112.28 1f6s n GLY 19 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.85 0.49 3.74 -0.02 0.00 0.63 -4.94 105.19 104.23 1f6s n GLY 20 Ca -0.12 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.96 5.39 0.39 1.61 1.01 -0.88 -4.92 120.40 121.05 1f6s s VAL 21 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 1f6s s VAL 21 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1f6s s VAL 21 CO 0.00 0.44 0.69 -0.94 0.00 0.00 0.00 175.10 175.29 1f6s s SER 22 N 0.29 6.40 0.25 3.32 1.04 -1.26 -0.12 113.70 123.62 1f6s s SER 22 Ca 0.11 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.37 1f6s s SER 22 Cb -0.12 -2.22 0.37 0.00 0.10 0.00 0.00 66.02 64.16 1f6s s SER 22 CO -0.00 -0.38 1.85 -0.07 0.98 0.00 0.00 173.24 175.61 1f6s h LEU 23 N 1.01 0.84 -1.64 2.42 3.38 -1.95 -0.69 115.31 118.68 1f6s h LEU 23 Ca -0.48 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.60 1f6s h LEU 23 Cb 1.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1f6s h LEU 23 CO 0.64 0.52 0.37 -0.65 0.09 0.00 0.00 178.44 179.40 1f6s h PRO 24 N 0.96 0.41 -0.12 1.13 0.11 -1.92 0.12 132.00 132.69 1f6s h PRO 24 Ca 0.40 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.27 1f6s h PRO 24 Cb 0.23 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.26 1f6s h PRO 24 CO -0.20 0.27 -0.78 0.93 -0.21 0.00 0.00 178.00 178.02 1f6s h GLU 25 N 0.42 0.65 -0.22 1.05 5.08 -1.46 -2.65 114.58 117.45 1f6s h GLU 25 Ca 0.25 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1f6s h GLU 25 Cb 0.43 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1f6s h GLU 25 CO -0.07 1.16 0.00 -1.49 -1.00 0.00 0.00 179.01 177.62 1f6s h TRP 26 N 0.44 0.42 -0.57 4.33 -0.00 -0.55 0.12 115.95 120.13 1f6s h TRP 26 Ca -0.05 -0.07 0.04 0.00 -0.00 0.00 0.00 58.89 58.81 1f6s h TRP 26 Cb 1.39 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 30.40 1f6s h TRP 26 CO 0.07 0.56 0.32 0.28 -0.00 0.00 0.00 178.44 179.68 1f6s h VAL 27 N 0.15 1.01 -0.55 1.49 2.07 -0.87 0.77 116.25 120.33 1f6s h VAL 27 Ca 0.06 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1f6s h VAL 27 Cb 0.39 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1f6s h VAL 27 CO 0.01 0.12 -0.02 0.00 0.02 0.00 0.00 177.57 177.70 1f6s h THR 29 N 0.87 1.27 0.00 0.00 2.02 -0.18 -2.93 112.91 113.97 1f6s h THR 29 Ca 0.15 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 1f6s h THR 29 Cb 0.57 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1f6s h THR 29 CO 0.03 0.32 -0.29 0.71 0.37 0.00 0.00 175.52 176.66 1f6s h THR 30 N 0.25 0.90 -0.48 3.16 1.35 -0.87 -1.31 112.91 115.92 1f6s h THR 30 Ca 0.07 -1.11 -0.12 0.00 -0.55 0.00 0.00 66.41 64.71 1f6s h THR 30 Cb 0.48 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 1f6s h THR 30 CO 0.02 0.28 -0.16 0.15 -0.25 0.00 0.00 175.52 175.56 1f6s h PHE 31 N 0.00 1.04 0.00 4.73 3.57 -1.21 -1.57 116.94 123.50 1f6s h PHE 31 Ca -0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1f6s h PHE 31 Cb 0.63 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1f6s h PHE 31 CO 0.00 1.01 -0.48 0.45 -2.23 0.00 0.00 178.31 177.06 1f6s h HIS 32 N 0.81 0.00 0.09 0.41 3.86 -1.34 -1.98 115.15 117.00 1f6s h HIS 32 Ca 0.12 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.03 1f6s h HIS 32 Cb 0.71 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 1f6s h HIS 32 CO 0.04 0.00 -1.60 1.79 0.86 0.00 0.00 177.93 179.02 1f6s h THR 33 N 0.00 0.84 0.00 2.45 1.35 -1.14 -3.42 112.91 112.99 1f6s h THR 33 Ca 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1f6s h THR 33 Cb 0.91 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1f6s h THR 33 CO 0.00 0.67 0.00 -1.54 -0.25 0.00 0.00 175.52 174.40 1f6s n SER 34 N -3.89 0.80 -1.79 5.36 3.41 -0.62 -4.93 113.62 111.96 1f6s n SER 34 Ca -0.30 -1.32 -0.19 0.00 -0.26 0.00 0.00 58.87 56.80 1f6s n SER 34 Cb 0.90 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.16 1.23 2.64 5.00 0.00 -0.75 -1.67 105.19 111.48 1f6s n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.72 0.00 -3.13 1.61 0.53 -1.21 -4.79 117.16 107.45 1f6s n TYR 36 Ca -0.20 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.26 1f6s n TYR 36 Cb 0.65 -0.23 -0.07 0.00 -1.03 0.00 0.00 39.34 38.66 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 -2.44 6.42 0.00 7.72 2.15 -0.67 -2.41 116.67 127.45 1f6s s ASP 37 Ca 0.00 0.19 0.12 0.00 0.43 0.00 0.00 52.55 53.29 1f6s s ASP 37 Cb 0.00 -2.32 0.59 0.00 -0.30 0.00 0.00 42.92 40.89 1f6s s ASP 37 CO 0.00 -0.55 1.34 0.35 -0.17 0.00 0.00 175.17 176.14 1f6s n THR 38 N 5.51 0.85 -0.51 1.71 -2.24 -0.88 -1.90 114.28 116.81 1f6s n THR 38 Ca -0.02 0.21 0.07 0.00 -2.27 0.00 0.00 64.05 62.04 1f6s n THR 38 Cb 0.49 -1.01 0.19 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.36 2.86 -2.03 -0.78 6.02 -1.26 -4.13 117.38 116.69 1f6s n GLN 39 Ca 0.05 -2.35 -0.41 0.00 -0.01 0.00 0.00 57.00 54.28 1f6s n GLN 39 Cb 0.11 -1.49 -0.02 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 -1.77 3.53 -0.08 -1.58 0.00 -0.80 -4.83 121.76 116.22 1f6s s ALA 40 Ca 0.30 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.57 1f6s s ALA 40 Cb 0.21 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.86 1f6s s ALA 40 CO 0.12 -0.75 0.14 0.42 0.00 0.00 0.00 175.76 175.69 1f6s s ILE 41 N -1.03 -0.22 -0.12 0.00 1.01 -1.26 -1.28 121.20 118.29 1f6s s ILE 41 Ca 0.51 0.33 0.03 0.00 0.00 0.00 0.00 60.65 61.52 1f6s s ILE 41 Cb -0.41 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1f6s s ILE 41 CO 0.54 0.12 -0.20 -0.69 0.00 0.00 0.00 174.94 174.72 1f6s s VAL 42 N 2.26 1.89 -1.28 2.92 1.01 -1.01 -4.98 120.40 121.20 1f6s s VAL 42 Ca 0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 1f6s s VAL 42 Cb -0.12 -1.67 0.12 0.00 0.00 0.00 0.00 36.38 34.71 1f6s s VAL 42 CO -0.05 0.52 1.69 1.67 0.00 0.00 0.00 175.10 178.92 1f6s n GLN 43 N 3.99 3.29 -0.56 2.72 0.00 -1.26 -1.95 117.38 123.62 1f6s n GLN 43 Ca -0.20 -3.48 -0.30 0.00 -0.00 0.00 0.00 57.00 53.03 1f6s n GLN 43 Cb 0.52 -3.20 0.22 0.00 0.00 0.00 0.00 30.24 27.78 1f6s n GLN 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1f6s n ASN 44 N 6.34 -1.83 -0.03 1.69 4.05 -0.29 -4.79 115.26 120.41 1f6s n ASN 44 Ca 0.43 -0.10 -0.01 0.00 0.45 0.00 0.00 54.58 55.35 1f6s n ASN 44 Cb 0.42 -1.18 -0.01 0.00 1.23 0.00 0.00 39.78 40.25 1f6s n ASN 44 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1f6s n ASN 45 N -3.82 -0.07 0.00 1.20 4.13 -1.26 -3.08 115.26 112.37 1f6s n ASN 45 Ca 0.03 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1f6s n ASN 45 Cb 0.56 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 1f6s n ASN 45 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1f6s n ASP 46 N -3.12 0.18 -4.51 6.41 2.03 -1.26 -5.08 116.55 111.19 1f6s n ASP 46 Ca 0.00 -0.51 -0.25 0.00 0.52 0.00 0.00 54.79 54.55 1f6s n ASP 46 Cb 0.02 0.48 -0.10 0.00 -0.72 0.00 0.00 41.12 40.79 1f6s n ASP 46 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1f6s s SER 47 N -0.48 3.68 -0.09 1.67 1.04 -1.18 -5.09 113.70 113.26 1f6s s SER 47 Ca 0.00 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 1f6s s SER 47 Cb 0.00 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 1f6s s SER 47 CO 0.00 -0.11 -0.04 -0.89 0.98 0.00 0.00 173.24 173.19 1f6s s THR 48 N -2.57 3.98 -0.10 2.02 2.01 -1.26 -1.13 115.64 118.59 1f6s s THR 48 Ca 0.31 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1f6s s THR 48 Cb -0.01 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1f6s s THR 48 CO 0.16 0.59 -0.21 -1.61 -0.69 0.00 0.00 174.62 172.86 1f6s s GLU 49 N -0.69 3.01 -0.00 4.92 2.02 -0.82 -0.87 118.70 126.27 1f6s s GLU 49 Ca 0.11 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1f6s s GLU 49 Cb -0.12 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 1f6s s GLU 49 CO 0.02 0.25 -0.05 0.71 0.02 0.00 0.00 175.26 176.21 1f6s s TYR 50 N 0.20 2.95 0.00 1.61 2.02 0.95 -2.40 117.35 122.68 1f6s s TYR 50 Ca -0.13 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 1f6s s TYR 50 Cb -0.16 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 1f6s s TYR 50 CO 0.07 0.40 0.00 0.41 -1.57 0.00 0.00 175.55 174.86 1f6s n GLY 51 N 1.54 -1.10 0.27 0.71 0.00 -0.40 -1.36 105.19 104.84 1f6s n GLY 51 Ca -0.15 -1.18 0.01 0.00 0.00 0.00 0.00 46.02 44.70 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 0.48 -0.68 0.99 5.85 -1.75 -2.18 115.31 118.02 1f6s h LEU 52 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1f6s h LEU 52 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1f6s h LEU 52 CO 0.00 0.28 -0.23 0.49 -0.34 0.00 0.00 178.44 178.64 1f6s n PHE 53 N -4.85 0.00 -3.60 1.25 3.72 -1.26 -4.14 117.46 108.58 1f6s n PHE 53 Ca 0.11 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.25 1f6s n PHE 53 Cb 0.27 -0.08 0.05 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.36 -2.27 -2.63 -1.08 1.13 -0.69 -4.93 117.38 106.55 1f6s n GLN 54 Ca 0.13 0.58 -0.42 0.00 -1.94 0.00 0.00 57.00 55.36 1f6s n GLN 54 Cb 0.37 -4.74 -0.04 0.00 0.11 0.00 0.00 30.24 25.95 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 -3.51 4.46 0.36 5.09 1.01 -0.46 -4.41 121.20 123.74 1f6s s ILE 55 Ca 0.36 1.88 -0.11 0.00 0.00 0.00 0.00 60.65 62.77 1f6s s ILE 55 Cb -0.10 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.09 1f6s s ILE 55 CO 0.83 0.21 0.73 0.54 0.00 0.00 0.00 174.94 177.25 1f6s s ASN 56 N 0.59 6.59 -0.25 3.58 2.20 -1.26 -0.04 114.94 126.35 1f6s s ASN 56 Ca 0.52 1.13 0.01 0.00 -0.94 0.00 0.00 52.86 53.57 1f6s s ASN 56 Cb -0.25 -2.32 0.28 0.00 -2.00 0.00 0.00 41.25 36.97 1f6s s ASN 56 CO 0.30 -0.32 1.64 -0.46 -2.94 0.00 0.00 177.10 175.32 1f6s n ASN 57 N -0.96 4.44 -0.09 3.54 6.94 -0.05 -2.52 115.26 126.56 1f6s n ASN 57 Ca 0.02 -2.87 -0.19 0.00 -0.02 0.00 0.00 54.58 51.53 1f6s n ASN 57 Cb 0.54 -0.80 -0.06 0.00 -2.36 0.00 0.00 39.78 37.10 1f6s n ASN 57 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1f6s n LYS 58 N -0.07 0.38 0.00 -3.83 4.81 -1.26 -4.71 118.16 113.49 1f6s n LYS 58 Ca 0.29 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1f6s n LYS 58 Cb 0.89 -1.14 0.00 0.00 0.02 0.00 0.00 35.03 34.80 1f6s n LYS 58 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1f6s n ILE 59 N -3.83 0.00 -0.11 3.15 -5.35 -1.26 -3.17 119.36 108.79 1f6s n ILE 59 Ca -0.34 -0.09 -0.25 0.00 -0.27 0.00 0.00 62.75 61.80 1f6s n ILE 59 Cb 0.73 0.71 -0.11 0.00 -1.74 0.00 0.00 39.64 39.22 1f6s n ILE 59 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1f6s n TRP 60 N -0.32 0.50 -4.23 4.28 7.02 -1.19 0.28 117.44 123.78 1f6s n TRP 60 Ca 0.00 0.18 -0.16 0.00 -1.02 0.00 0.00 57.50 56.50 1f6s n TRP 60 Cb 0.00 -1.05 -0.11 0.00 -2.42 0.00 0.00 31.31 27.73 1f6s n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1f6s s LYS 62 N -2.86 2.89 0.03 0.00 -2.85 -1.00 -4.10 119.74 111.84 1f6s s LYS 62 Ca 0.09 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 1f6s s LYS 62 Cb -0.03 -2.74 -0.00 0.00 -2.06 0.00 0.00 37.83 33.00 1f6s s LYS 62 CO 0.02 0.65 0.02 -0.40 0.10 0.00 0.00 175.35 175.74 1f6s n ASP 63 N 1.52 0.43 -0.03 0.03 5.68 -1.25 -1.52 116.55 121.42 1f6s n ASP 63 Ca -0.15 -1.18 -0.15 0.00 -0.50 0.00 0.00 54.79 52.81 1f6s n ASP 63 Cb 0.53 0.11 -0.09 0.00 -1.14 0.00 0.00 41.12 40.53 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 0.15 0.38 -0.54 -1.12 3.32 -1.99 -3.27 116.42 113.35 1f6s h ASP 64 Ca -0.02 -0.65 0.11 0.00 0.02 0.00 0.00 57.03 56.48 1f6s h ASP 64 Cb 0.10 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 39.43 1f6s h ASP 64 CO 0.03 0.97 -0.17 1.56 -1.72 0.00 0.00 179.24 179.91 1f6s h GLN 65 N -0.18 -0.04 -3.29 3.56 4.20 -1.98 -3.29 115.11 114.08 1f6s h GLN 65 Ca -0.02 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.06 1f6s h GLN 65 Cb 0.96 0.01 -0.41 0.00 0.30 0.00 0.00 27.48 28.34 1f6s h GLN 65 CO 0.06 -0.03 -0.60 1.21 -0.67 0.00 0.00 178.83 178.81 1f6s s ASN 66 N -5.20 4.52 0.19 1.46 3.84 -1.24 -4.96 114.94 113.54 1f6s s ASN 66 Ca -0.14 -3.28 -0.07 0.00 0.21 0.00 0.00 52.86 49.57 1f6s s ASN 66 Cb 0.17 -1.65 0.12 0.00 -0.55 0.00 0.00 41.25 39.34 1f6s s ASN 66 CO 0.72 -0.19 1.63 -0.65 -2.79 0.00 0.00 177.10 175.82 1f6s h PRO 67 N 6.16 0.94 0.00 0.43 0.11 -1.64 -3.11 132.00 134.88 1f6s h PRO 67 Ca -0.01 -0.34 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1f6s h PRO 67 Cb 0.85 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1f6s h PRO 67 CO 0.70 1.00 0.00 1.58 -0.21 0.00 0.00 178.00 181.07 1f6s n HIS 68 N -4.14 0.00 -1.19 0.65 -0.00 -1.26 -4.88 115.22 104.40 1f6s n HIS 68 Ca 0.01 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.76 1f6s n HIS 68 Cb 0.40 -0.36 -0.04 0.00 -0.12 0.00 0.00 29.99 29.87 1f6s n HIS 68 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1f6s n SER 69 N -1.36 -0.63 0.33 0.26 2.88 -1.18 -4.75 113.62 109.18 1f6s n SER 69 Ca 0.06 0.94 0.22 0.00 -1.33 0.00 0.00 58.87 58.76 1f6s n SER 69 Cb 0.13 -0.77 1.17 0.00 -0.75 0.00 0.00 64.21 63.99 1f6s n SER 69 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f6s h SER 70 N 1.47 0.00 -6.82 -3.46 4.64 -1.77 -3.46 113.55 104.15 1f6s h SER 70 Ca -0.31 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.45 1f6s h SER 70 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1f6s h SER 70 CO 0.50 0.00 -1.01 -3.20 -0.87 0.00 0.00 176.83 172.25 1f6s n ASN 71 N -3.13 -4.41 0.11 4.97 4.05 -1.12 -4.85 115.26 110.89 1f6s n ASN 71 Ca -0.03 -1.22 0.02 0.00 0.45 0.00 0.00 54.58 53.80 1f6s n ASN 71 Cb 0.09 -1.91 0.38 0.00 1.23 0.00 0.00 39.78 39.57 1f6s n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1f6s h ILE 72 N -2.28 1.18 -0.00 -1.44 2.04 -0.06 -1.40 117.51 115.56 1f6s h ILE 72 Ca -0.70 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 64.37 1f6s h ILE 72 Cb 1.40 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1f6s h ILE 72 CO 0.50 0.25 -0.06 0.00 0.00 0.00 0.00 178.15 178.83 1f6s n ASN 74 N -1.23 -5.81 -3.54 0.00 5.15 -0.53 -4.99 115.26 104.30 1f6s n ASN 74 Ca 0.13 -0.79 -0.12 0.00 -0.60 0.00 0.00 54.58 53.20 1f6s n ASN 74 Cb 0.27 -3.45 -0.05 0.00 -0.53 0.00 0.00 39.78 36.02 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 -3.25 0.00 0.04 -1.44 2.07 -1.26 -5.08 121.20 112.28 1f6s s ILE 75 Ca 0.26 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.20 1f6s s ILE 75 Cb -0.09 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.45 1f6s s ILE 75 CO 0.84 0.00 1.19 -0.55 -1.91 0.00 0.00 174.94 174.51 1f6s s SER 76 N -1.41 7.09 0.55 4.50 0.15 -1.26 -2.39 113.70 120.94 1f6s s SER 76 Ca -0.03 1.97 0.31 0.00 0.70 0.00 0.00 55.95 58.90 1f6s s SER 76 Cb -0.00 -2.58 1.47 0.00 -1.71 0.00 0.00 66.02 63.20 1f6s s SER 76 CO 0.02 -0.47 1.87 0.00 1.20 0.00 0.00 173.24 175.86 1f6s h ASP 78 N 0.00 0.00 0.33 0.00 2.03 -1.91 -1.23 116.42 115.65 1f6s h ASP 78 Ca 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 1f6s h ASP 78 Cb 1.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.10 1f6s h ASP 78 CO -0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1f6s n LYS 79 N -2.92 0.07 -0.46 4.15 4.76 0.10 -1.46 118.16 122.40 1f6s n LYS 79 Ca -0.00 0.24 0.10 0.00 -2.87 0.00 0.00 58.31 55.78 1f6s n LYS 79 Cb 0.22 -1.50 0.31 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.41 1.13 0.36 2.13 0.99 -0.46 -4.24 117.46 115.95 1f6s n PHE 80 Ca 0.04 -0.57 0.04 0.00 -0.00 0.00 0.00 57.45 56.97 1f6s n PHE 80 Cb 0.12 -0.13 0.01 0.00 -1.00 0.00 0.00 39.48 38.49 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 1.17 1.35 0.00 4.37 4.77 -0.54 -3.52 117.00 124.61 1f6s n LEU 81 Ca 0.23 -0.86 -0.02 0.00 -0.03 0.00 0.00 56.01 55.32 1f6s n LEU 81 Cb 0.73 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.83 1f6s n LEU 81 CO 0.19 0.27 0.06 -0.90 -1.33 0.00 0.00 177.39 175.68 1f6s n ASP 82 N 0.04 0.09 -0.50 -1.43 5.68 -1.26 -4.40 116.55 114.77 1f6s n ASP 82 Ca 0.04 -1.09 0.13 0.00 -0.50 0.00 0.00 54.79 53.37 1f6s n ASP 82 Cb 0.19 -0.07 0.32 0.00 -1.14 0.00 0.00 41.12 40.42 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 -3.02 1.73 -4.50 -1.12 8.00 -1.26 -4.79 116.55 111.59 1f6s n ASP 83 Ca 0.02 -1.42 -0.42 0.00 0.71 0.00 0.00 54.79 53.68 1f6s n ASP 83 Cb 0.06 0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.18 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 -2.22 6.19 0.00 -2.24 2.15 -1.26 -4.94 116.67 114.34 1f6s s ASP 84 Ca 0.29 -0.56 0.28 0.00 0.43 0.00 0.00 52.55 52.99 1f6s s ASP 84 Cb 0.20 -2.21 1.14 0.00 -0.30 0.00 0.00 42.92 41.75 1f6s s ASP 84 CO 0.42 -0.50 1.80 0.18 -0.17 0.00 0.00 175.17 176.90 1f6s n LEU 85 N 5.51 0.77 -0.34 -1.34 4.77 -1.26 -4.28 117.00 120.82 1f6s n LEU 85 Ca -0.08 -0.16 0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1f6s n LEU 85 Cb 0.48 -0.11 0.28 0.00 -2.33 0.00 0.00 43.42 41.74 1f6s n LEU 85 CO 0.44 0.14 1.23 0.71 -1.33 0.00 0.00 177.39 178.58 1f6s h THR 86 N 1.03 0.88 0.00 -5.08 1.35 -1.94 0.99 112.91 110.14 1f6s h THR 86 Ca 0.00 -0.31 -0.22 0.00 -0.55 0.00 0.00 66.41 65.34 1f6s h THR 86 Cb 0.39 -0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.68 1f6s h THR 86 CO 0.00 0.16 -1.17 -2.24 -0.25 0.00 0.00 175.52 172.03 1f6s h ASP 87 N 0.90 0.00 -0.46 5.36 2.03 -1.93 -2.88 116.42 119.44 1f6s h ASP 87 Ca 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.78 1f6s h ASP 87 Cb 0.58 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 1f6s h ASP 87 CO -0.26 0.90 0.23 0.44 -1.03 0.00 0.00 179.24 179.52 1f6s h ASP 88 N 0.00 0.60 -0.63 4.15 5.19 -1.57 -2.59 116.42 121.56 1f6s h ASP 88 Ca -0.10 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.17 1f6s h ASP 88 Cb 1.77 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 41.10 1f6s h ASP 88 CO 0.10 0.55 0.31 0.40 -3.12 0.00 0.00 179.24 177.48 1f6s h ILE 89 N 0.60 1.21 -0.44 0.35 2.04 -0.87 -0.72 117.51 119.69 1f6s h ILE 89 Ca 0.16 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1f6s h ILE 89 Cb 0.11 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1f6s h ILE 89 CO -0.02 0.25 0.26 0.24 0.00 0.00 0.00 178.15 178.88 1f6s h MET 90 N 0.93 0.61 -0.64 2.37 2.86 -1.25 -1.93 114.93 117.88 1f6s h MET 90 Ca 0.23 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1f6s h MET 90 Cb 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1f6s h MET 90 CO -0.03 0.46 0.16 0.00 1.06 0.00 0.00 176.91 178.57 1f6s h VAL 92 N 0.96 1.18 -0.36 0.00 2.07 -0.76 -1.48 116.25 117.85 1f6s h VAL 92 Ca 0.21 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1f6s h VAL 92 Cb 0.33 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1f6s h VAL 92 CO -0.00 0.19 -0.21 0.11 0.02 0.00 0.00 177.57 177.68 1f6s h LYS 93 N 0.82 0.70 -0.47 1.57 1.57 -0.82 -0.11 116.57 119.83 1f6s h LYS 93 Ca 0.21 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1f6s h LYS 93 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1f6s h LYS 93 CO -0.04 0.86 0.26 0.87 -0.57 0.00 0.00 179.45 180.83 1f6s h LYS 94 N 0.62 0.66 -0.27 3.15 1.79 -0.90 -0.90 116.57 120.72 1f6s h LYS 94 Ca 0.09 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1f6s h LYS 94 Cb 0.70 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1f6s h LYS 94 CO 0.05 0.51 0.15 0.82 -1.08 0.00 0.00 179.45 179.91 1f6s h ILE 95 N 0.62 1.12 -0.46 1.86 2.04 -0.92 -1.41 117.51 120.36 1f6s h ILE 95 Ca 0.17 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1f6s h ILE 95 Cb 0.05 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1f6s h ILE 95 CO -0.03 0.12 0.28 -0.07 0.00 0.00 0.00 178.15 178.45 1f6s h LEU 96 N 0.33 0.45 -1.72 1.44 3.38 -0.78 0.29 115.31 118.70 1f6s h LEU 96 Ca 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1f6s h LEU 96 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1f6s h LEU 96 CO -0.02 0.32 -0.17 0.44 0.09 0.00 0.00 178.44 179.11 1f6s h ASP 97 N 0.55 0.00 0.01 -0.43 3.32 -0.92 -1.49 116.42 117.47 1f6s h ASP 97 Ca 0.18 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.81 1f6s h ASP 97 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1f6s h ASP 97 CO -0.08 0.17 -2.41 0.29 -1.72 0.00 0.00 179.24 175.50 1f6s n LYS 98 N -3.74 0.62 0.00 3.56 5.02 -0.55 -4.76 118.16 118.30 1f6s n LYS 98 Ca -0.02 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1f6s n LYS 98 Cb 0.28 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -3.91 0.00 -0.67 -0.18 0.24 0.96 -5.09 118.33 109.69 1f6s n VAL 99 Ca -0.49 -0.47 0.09 0.00 -2.04 0.00 0.00 64.34 61.43 1f6s n VAL 99 Cb 0.91 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 34.30 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 0.33 -1.80 0.35 7.63 0.00 -0.56 -4.23 105.19 106.91 1f6s n GLY 100 Ca 0.00 -1.35 0.16 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.62 0.10 0.00 -0.61 6.09 -1.87 -2.70 117.51 117.89 1f6s h ILE 101 Ca -0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1f6s h ILE 101 Cb 0.61 0.66 0.00 0.00 0.47 0.00 0.00 36.82 38.56 1f6s h ILE 101 CO 0.01 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.68 1f6s n ASN 102 N -3.10 0.62 0.09 2.19 5.03 -1.26 -1.88 115.26 116.94 1f6s n ASN 102 Ca 0.00 0.74 0.14 0.00 0.87 0.00 0.00 54.58 56.34 1f6s n ASN 102 Cb 0.44 -0.84 0.63 0.00 -1.02 0.00 0.00 39.78 39.00 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 0.08 -3.50 3.10 3.20 -1.70 -3.27 116.97 114.88 1f6s h TYR 103 Ca 0.00 0.00 -0.77 0.00 3.14 0.00 0.00 58.73 61.10 1f6s h TYR 103 Cb 0.11 -0.03 -0.25 0.00 1.54 0.00 0.00 36.73 38.10 1f6s h TYR 103 CO 0.00 0.04 0.06 -1.58 -1.64 0.00 0.00 178.16 175.04 1f6s s TRP 104 N -5.11 3.55 0.49 -3.82 0.51 -0.79 -4.91 118.94 108.86 1f6s s TRP 104 Ca -0.05 -1.72 0.23 0.00 -2.12 0.00 0.00 56.10 52.44 1f6s s TRP 104 Cb 0.19 -3.85 1.28 0.00 -0.81 0.00 0.00 33.47 30.27 1f6s s TRP 104 CO 0.71 -1.04 1.92 -0.07 -0.51 0.00 0.00 176.95 177.95 1f6s h LEU 105 N 8.34 0.17 -2.04 2.99 3.38 -1.83 -0.72 115.31 125.60 1f6s h LEU 105 Ca -0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1f6s h LEU 105 Cb 1.06 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1f6s h LEU 105 CO 0.87 0.08 -0.09 0.00 0.09 0.00 0.00 178.44 179.38 1f6s h ALA 106 N 1.64 1.34 0.43 1.53 0.00 -1.92 -2.83 119.26 119.46 1f6s h ALA 106 Ca 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1f6s h ALA 106 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1f6s h ALA 106 CO -0.07 0.11 -0.21 1.25 0.00 0.00 0.00 179.25 180.34 1f6s h HIS 107 N 0.00 -0.54 -0.09 0.00 -0.00 -1.45 -0.86 115.15 112.21 1f6s h HIS 107 Ca -0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 1f6s h HIS 107 Cb 0.26 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1f6s h HIS 107 CO 0.00 -0.22 -0.26 -0.22 -0.00 0.00 0.00 177.93 177.23 1f6s h LYS 108 N -0.90 0.16 0.01 5.26 3.64 -1.69 0.20 116.57 123.25 1f6s h LYS 108 Ca -0.06 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.03 1f6s h LYS 108 Cb 0.57 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1f6s h LYS 108 CO 0.10 0.41 -1.19 0.00 -2.27 0.00 0.00 179.45 176.50 1f6s h ALA 109 N 1.59 0.42 0.00 5.00 0.00 -1.51 -3.42 119.26 121.35 1f6s h ALA 109 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1f6s h ALA 109 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1f6s h ALA 109 CO 0.04 1.30 0.00 1.28 0.00 0.00 0.00 179.25 181.87 1f6s n LEU 110 N -3.30 0.09 -1.83 0.00 4.32 -0.33 -4.89 117.00 111.06 1f6s n LEU 110 Ca -0.05 -0.11 -0.08 0.00 -0.02 0.00 0.00 56.01 55.76 1f6s n LEU 110 Cb 0.97 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.84 1f6s n LEU 110 CO 0.47 0.02 0.16 0.00 -1.22 0.00 0.00 177.39 176.82 1f6s n SER 112 N -0.61 2.24 -3.63 0.00 7.64 -1.15 -4.81 113.62 113.30 1f6s n SER 112 Ca 0.24 -3.25 -0.09 0.00 1.01 0.00 0.00 58.87 56.79 1f6s n SER 112 Cb 0.89 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 1f6s n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1f6s s GLU 113 N -2.95 0.47 -0.93 1.43 -1.05 -1.26 -5.03 118.70 109.38 1f6s s GLU 113 Ca 0.33 0.44 -0.07 0.00 -0.15 0.00 0.00 54.97 55.52 1f6s s GLU 113 Cb 0.30 0.23 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1f6s s GLU 113 CO 0.01 -0.08 0.75 1.63 0.95 0.00 0.00 175.26 178.52 1f6s n LYS 114 N 1.82 -1.49 -0.46 -4.83 5.02 -1.26 -4.92 118.16 112.04 1f6s n LYS 114 Ca -0.12 0.95 0.10 0.00 -2.02 0.00 0.00 58.31 57.23 1f6s n LYS 114 Cb 0.56 -4.70 0.32 0.00 -0.02 0.00 0.00 35.03 31.19 1f6s n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1f6s n LEU 115 N -2.90 4.10 -0.25 -0.35 4.77 -1.26 -4.45 117.00 116.66 1f6s n LEU 115 Ca -0.09 -2.06 -0.06 0.00 -0.03 0.00 0.00 56.01 53.76 1f6s n LEU 115 Cb 0.58 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1f6s n LEU 115 CO 0.60 0.86 0.97 0.44 -1.33 0.00 0.00 177.39 178.93 1f6s h ASP 116 N 3.99 1.06 -0.03 -1.43 3.32 -1.97 -2.69 116.42 118.67 1f6s h ASP 116 Ca 0.00 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1f6s h ASP 116 Cb 1.14 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1f6s h ASP 116 CO 0.10 1.00 0.09 0.06 -1.72 0.00 0.00 179.24 178.77 1f6s h GLN 117 N 1.07 0.00 -0.00 3.56 3.07 -2.00 -2.24 115.11 118.58 1f6s h GLN 117 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.97 1f6s h GLN 117 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1f6s h GLN 117 CO -0.00 0.00 -0.13 0.91 0.09 0.00 0.00 178.83 179.70 1f6s n TRP 118 N -3.25 0.00 -1.73 0.06 7.02 -1.02 -4.90 117.44 113.62 1f6s n TRP 118 Ca -0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.13 1f6s n TRP 118 Cb 0.17 -0.19 0.05 0.00 -2.42 0.00 0.00 31.31 28.91 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 -2.51 3.38 0.00 -0.99 1.43 -0.84 -4.91 118.68 114.23 1f6s s LEU 119 Ca 0.28 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1f6s s LEU 119 Cb 0.20 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.87 1f6s s LEU 119 CO 0.49 -1.67 0.00 0.00 0.23 0.00 0.00 176.35 175.40