#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 0.75 5.31 0.74 -1.26 -1.68 119.66 126.86 1f6s s GLN 2 Ca 0.00 -0.21 -0.11 0.00 0.05 0.00 0.00 55.36 55.09 1f6s s GLN 2 Cb 0.00 -4.05 0.05 0.00 1.10 0.00 0.00 33.01 30.10 1f6s s GLN 2 CO 0.00 -1.53 1.12 -0.51 -0.55 0.00 0.00 175.29 173.82 1f6s s LEU 3 N 4.12 2.72 0.42 3.68 1.43 -0.38 -4.99 118.68 125.68 1f6s s LEU 3 Ca 0.32 0.91 0.07 0.00 -1.03 0.00 0.00 54.13 54.39 1f6s s LEU 3 Cb -0.12 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1f6s s LEU 3 CO 0.20 -1.62 0.58 0.42 0.23 0.00 0.00 176.35 176.17 1f6s s THR 4 N -3.44 3.18 0.19 5.49 -4.23 -1.26 -4.84 115.64 110.72 1f6s s THR 4 Ca 0.60 -0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 1f6s s THR 4 Cb -0.11 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.74 1f6s s THR 4 CO 0.50 -0.04 1.80 0.50 -0.54 0.00 0.00 174.62 176.84 1f6s h LYS 5 N 0.60 0.57 0.00 3.99 3.64 -1.99 -2.16 116.57 121.21 1f6s h LYS 5 Ca -0.41 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.85 1f6s h LYS 5 Cb 1.28 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1f6s h LYS 5 CO 0.48 0.37 -0.40 0.00 -2.27 0.00 0.00 179.45 177.63 1f6s h GLU 7 N 0.00 0.69 -0.40 0.00 5.08 -1.86 -0.77 114.58 117.33 1f6s h GLU 7 Ca -0.00 -0.35 -0.14 0.00 -1.00 0.00 0.00 59.36 57.87 1f6s h GLU 7 Cb 1.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1f6s h GLU 7 CO 0.05 0.96 -0.28 0.28 -1.00 0.00 0.00 179.01 179.02 1f6s h VAL 8 N 0.57 1.28 -0.63 3.13 2.07 -1.22 0.03 116.25 121.48 1f6s h VAL 8 Ca 0.05 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.15 1f6s h VAL 8 Cb 0.92 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1f6s h VAL 8 CO 0.08 0.48 0.39 0.15 0.02 0.00 0.00 177.57 178.69 1f6s h PHE 9 N 0.71 0.72 -0.05 1.57 3.57 -0.94 -1.60 116.94 120.92 1f6s h PHE 9 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1f6s h PHE 9 Cb 0.86 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 1f6s h PHE 9 CO 0.06 0.41 -0.06 0.00 -2.23 0.00 0.00 178.31 176.49 1f6s h ARG 10 N 0.76 0.14 0.00 1.11 3.08 -0.97 -3.30 114.38 115.20 1f6s h ARG 10 Ca 0.25 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1f6s h ARG 10 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1f6s h ARG 10 CO -0.10 0.61 0.00 0.93 -1.07 0.00 0.00 179.97 180.34 1f6s h GLU 11 N -0.33 0.00 -0.63 0.04 5.08 -0.87 -2.99 114.58 114.87 1f6s h GLU 11 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1f6s h GLU 11 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1f6s h GLU 11 CO 0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 1f6s n LEU 12 N -3.09 4.07 -0.27 1.33 4.77 -0.61 -4.62 117.00 118.59 1f6s n LEU 12 Ca 0.00 -2.06 0.03 0.00 -0.03 0.00 0.00 56.01 53.96 1f6s n LEU 12 Cb 0.28 -0.53 0.11 0.00 -2.33 0.00 0.00 43.42 40.95 1f6s n LEU 12 CO 0.26 0.68 0.73 0.50 -1.33 0.00 0.00 177.39 178.23 1f6s h LYS 13 N 3.38 0.02 0.00 3.23 3.64 -1.64 0.30 116.57 125.51 1f6s h LYS 13 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1f6s h LYS 13 Cb 1.27 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1f6s h LYS 13 CO 0.21 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.15 1f6s n ASP 14 N -5.48 0.00 -0.13 4.20 8.00 -1.26 -1.22 116.55 120.66 1f6s n ASP 14 Ca 0.12 0.13 0.09 0.00 0.71 0.00 0.00 54.79 55.84 1f6s n ASP 14 Cb 0.42 -0.20 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 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 -1.20 1.17 -4.70 0.64 4.77 0.10 -4.85 117.00 112.93 1f6s n LEU 15 Ca 0.02 -0.58 -0.55 0.00 -0.03 0.00 0.00 56.01 54.87 1f6s n LEU 15 Cb 0.02 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1f6s n LEU 15 CO 0.02 0.26 1.31 1.17 -1.33 0.00 0.00 177.39 178.82 1f6s n LYS 16 N -1.04 1.33 -0.27 3.23 4.81 -0.36 -0.85 118.16 125.00 1f6s n LYS 16 Ca 0.05 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1f6s n LYS 16 Cb 0.33 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.18 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 4.06 0.91 3.75 3.14 0.00 0.10 -4.95 105.19 112.19 1f6s n GLY 17 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 2.74 -0.97 1.61 9.36 -0.03 0.10 117.16 127.97 1f6s n TYR 18 Ca 0.00 0.47 -0.02 0.00 3.32 0.00 0.00 57.90 61.67 1f6s n TYR 18 Cb 0.00 -2.50 -0.01 0.00 -0.63 0.00 0.00 39.34 36.20 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 0.68 0.22 1.68 2.98 0.00 -1.26 -0.15 105.19 109.34 1f6s n GLY 19 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.74 0.53 3.59 -0.02 0.00 0.11 -5.03 105.19 105.12 1f6s n GLY 20 Ca -0.02 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 5.28 0.65 1.61 1.01 0.78 -4.92 120.40 122.82 1f6s s VAL 21 Ca 0.00 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1f6s s VAL 21 Cb 0.00 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1f6s s VAL 21 CO 0.00 0.21 1.08 -0.94 0.00 0.00 0.00 175.10 175.45 1f6s s SER 22 N 1.74 5.39 0.16 3.32 1.04 -1.26 -0.73 113.70 123.37 1f6s s SER 22 Ca 0.08 1.84 -0.16 0.00 0.48 0.00 0.00 55.95 58.19 1f6s s SER 22 Cb -0.16 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.52 1f6s s SER 22 CO 0.11 -1.43 1.72 0.25 0.98 0.00 0.00 173.24 174.87 1f6s h LEU 23 N -0.02 -0.00 -0.84 2.42 5.85 -1.92 -1.68 115.31 119.10 1f6s h LEU 23 Ca -0.46 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.46 1f6s h LEU 23 Cb 1.23 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.26 1f6s h LEU 23 CO 0.56 0.03 0.44 -0.65 -0.34 0.00 0.00 178.44 178.49 1f6s h PRO 24 N 0.19 0.65 -0.24 5.25 0.11 -1.90 0.21 132.00 136.27 1f6s h PRO 24 Ca 0.18 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1f6s h PRO 24 Cb 0.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1f6s h PRO 24 CO -0.25 0.43 0.11 0.93 -0.21 0.00 0.00 178.00 179.01 1f6s h GLU 25 N 0.67 0.33 -0.02 1.05 5.08 -1.62 -1.88 114.58 118.18 1f6s h GLU 25 Ca 0.44 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.52 1f6s h GLU 25 Cb 0.58 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.77 1f6s h GLU 25 CO -0.33 0.27 -0.99 -1.49 -1.00 0.00 0.00 179.01 175.47 1f6s h TRP 26 N 0.34 0.94 -0.62 4.33 4.06 -0.17 -0.12 115.95 124.70 1f6s h TRP 26 Ca 0.09 -0.50 -0.03 0.00 2.06 0.00 0.00 58.89 60.51 1f6s h TRP 26 Cb 0.05 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 1f6s h TRP 26 CO 0.00 1.33 0.27 0.28 -3.56 0.00 0.00 178.44 176.76 1f6s h VAL 27 N 0.37 1.23 -0.31 1.49 2.07 -0.86 -1.20 116.25 119.03 1f6s h VAL 27 Ca -0.11 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 1f6s h VAL 27 Cb 1.63 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1f6s h VAL 27 CO 0.19 0.27 -0.02 0.00 0.02 0.00 0.00 177.57 178.03 1f6s h THR 29 N 0.36 1.26 -0.18 0.00 2.02 -0.78 -2.84 112.91 112.75 1f6s h THR 29 Ca 0.09 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.29 1f6s h THR 29 Cb 0.47 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1f6s h THR 29 CO 0.02 0.34 -0.40 0.71 0.37 0.00 0.00 175.52 176.56 1f6s h THR 30 N 1.09 1.30 0.62 3.16 1.35 -1.22 -2.62 112.91 116.59 1f6s h THR 30 Ca 0.24 -1.54 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 1f6s h THR 30 Cb 0.26 1.61 0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1f6s h THR 30 CO -0.01 0.47 -0.30 0.15 -0.25 0.00 0.00 175.52 175.58 1f6s h PHE 31 N 0.34 -0.77 0.00 4.73 3.57 -1.37 0.37 116.94 123.82 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 0.85 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1f6s h PHE 31 CO 0.02 -0.46 0.00 0.72 -2.23 0.00 0.00 178.31 176.37 1f6s n HIS 32 N -5.42 0.00 0.00 0.41 8.25 -1.08 0.70 115.22 118.07 1f6s n HIS 32 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1f6s n HIS 32 Cb 0.35 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.15 0.00 -1.37 1.59 -1.04 -0.83 -4.79 114.28 107.69 1f6s n THR 33 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1f6s n THR 33 Cb 0.08 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 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 -1.80 0.00 -1.35 8.00 3.41 0.06 -4.78 113.62 117.15 1f6s n SER 34 Ca 0.00 -0.79 -0.14 0.00 -0.26 0.00 0.00 58.87 57.68 1f6s n SER 34 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.00 0.48 2.34 5.00 0.00 0.22 -2.50 105.19 110.73 1f6s n GLY 35 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.43 0.00 -3.09 1.61 0.53 -1.25 -4.81 117.16 106.73 1f6s n TYR 36 Ca -0.15 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.30 1f6s n TYR 36 Cb 0.55 -0.97 -0.07 0.00 -1.03 0.00 0.00 39.34 37.82 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 -2.22 6.34 0.06 7.72 -1.08 -1.04 -1.24 116.67 125.19 1f6s s ASP 37 Ca 0.00 -0.31 0.16 0.00 -0.52 0.00 0.00 52.55 51.87 1f6s s ASP 37 Cb 0.00 -2.33 0.67 0.00 -1.46 0.00 0.00 42.92 39.80 1f6s s ASP 37 CO 0.00 -0.81 1.49 0.35 0.52 0.00 0.00 175.17 176.73 1f6s n THR 38 N 5.90 1.02 -0.42 1.71 -2.24 -0.68 -2.08 114.28 117.49 1f6s n THR 38 Ca -0.01 0.27 0.09 0.00 -2.27 0.00 0.00 64.05 62.12 1f6s n THR 38 Cb 0.48 -1.07 0.26 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 -1.67 3.05 -1.74 -0.78 6.02 -1.26 -3.98 117.38 117.02 1f6s n GLN 39 Ca 0.03 -2.51 -0.42 0.00 -0.01 0.00 0.00 57.00 54.09 1f6s n GLN 39 Cb 0.17 -1.56 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 1f6s n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1f6s n ALA 40 N 0.91 2.40 -3.71 -1.58 0.00 -0.88 -4.79 120.51 112.86 1f6s n ALA 40 Ca 0.20 0.38 -0.21 0.00 0.00 0.00 0.00 53.44 53.81 1f6s n ALA 40 Cb 0.64 -2.44 -0.18 0.00 0.00 0.00 0.00 19.45 17.47 1f6s n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f6s s ILE 41 N 0.05 0.07 -0.04 0.00 1.01 -1.26 -1.10 121.20 119.92 1f6s s ILE 41 Ca 0.65 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.64 1f6s s ILE 41 Cb -0.51 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1f6s s ILE 41 CO 0.48 0.21 -0.09 -0.69 0.00 0.00 0.00 174.94 174.85 1f6s s VAL 42 N 2.08 0.84 -0.12 2.92 1.01 -0.90 -4.98 120.40 121.25 1f6s s VAL 42 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1f6s s VAL 42 Cb -0.12 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.52 1f6s s VAL 42 CO -0.04 0.28 -0.01 0.00 0.00 0.00 0.00 175.10 175.33 1f6s s GLN 43 N 0.52 0.90 -0.13 2.72 -2.07 -1.26 0.96 119.66 121.30 1f6s s GLN 43 Ca -0.09 -0.16 0.02 0.00 -1.82 0.00 0.00 55.36 53.31 1f6s s GLN 43 Cb -0.12 -1.48 0.01 0.00 -1.09 0.00 0.00 33.01 30.33 1f6s s GLN 43 CO 0.01 -0.39 -0.20 -0.80 -1.32 0.00 0.00 175.29 172.60 1f6s s ASN 44 N 1.85 2.91 1.74 12.60 0.01 -0.52 -4.96 114.94 128.57 1f6s s ASN 44 Ca 0.03 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1f6s s ASN 44 Cb -0.14 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.18 1f6s s ASN 44 CO -0.07 0.05 0.00 0.59 -1.51 0.00 0.00 177.10 176.17 1f6s n ASN 45 N 4.16 0.00 -2.28 -1.22 4.13 -1.26 -2.68 115.26 116.12 1f6s n ASN 45 Ca -0.20 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.76 1f6s n ASN 45 Cb 0.51 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.87 1f6s n ASN 45 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1f6s n ASP 46 N 6.70 6.29 -3.78 6.41 3.85 -1.26 -4.93 116.55 129.83 1f6s n ASP 46 Ca 0.00 -3.70 -0.13 0.00 -0.71 0.00 0.00 54.79 50.26 1f6s n ASP 46 Cb 0.00 -0.93 -0.11 0.00 -1.35 0.00 0.00 41.12 38.73 1f6s n ASP 46 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1f6s s SER 47 N -1.58 -0.24 -0.09 -1.12 0.15 -1.09 -4.91 113.70 104.81 1f6s s SER 47 Ca 0.61 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.68 1f6s s SER 47 Cb 0.49 0.49 0.01 0.00 -1.71 0.00 0.00 66.02 65.30 1f6s s SER 47 CO 0.03 -0.20 -0.15 0.28 1.20 0.00 0.00 173.24 174.40 1f6s s THR 48 N -0.31 1.44 -0.10 6.45 -1.32 -1.26 -1.44 115.64 119.11 1f6s s THR 48 Ca -0.04 -0.64 -0.04 0.00 -1.21 0.00 0.00 61.69 59.76 1f6s s THR 48 Cb -0.03 -1.30 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 1f6s s THR 48 CO 0.01 0.43 0.08 -1.61 -2.21 0.00 0.00 174.62 171.31 1f6s s GLU 49 N 0.76 3.21 -0.03 7.08 2.02 0.27 -2.15 118.70 129.86 1f6s s GLU 49 Ca -0.12 -0.28 0.07 0.00 0.02 0.00 0.00 54.97 54.67 1f6s s GLU 49 Cb -0.16 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 1f6s s GLU 49 CO 0.02 0.74 -0.26 0.71 0.02 0.00 0.00 175.26 176.49 1f6s s TYR 50 N -0.98 2.36 0.03 1.61 2.02 -0.86 -2.12 117.35 119.40 1f6s s TYR 50 Ca 0.15 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1f6s s TYR 50 Cb -0.12 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1f6s s TYR 50 CO 0.04 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 1f6s n GLY 51 N 2.64 -1.59 0.40 0.71 0.00 -0.26 -1.63 105.19 105.46 1f6s n GLY 51 Ca -0.17 -1.23 0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 0.49 -1.48 0.99 5.85 -1.68 -0.69 115.31 118.79 1f6s h LEU 52 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1f6s h LEU 52 Cb 0.10 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1f6s h LEU 52 CO 0.00 0.14 -0.22 0.49 -0.34 0.00 0.00 178.44 178.50 1f6s n PHE 53 N -4.62 0.00 -3.55 1.25 3.72 -1.26 -4.32 117.46 108.69 1f6s n PHE 53 Ca 0.23 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.38 1f6s n PHE 53 Cb 0.78 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.36 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 0.68 -1.45 -2.87 -1.08 1.13 -0.27 -4.93 117.38 108.59 1f6s n GLN 54 Ca 0.12 0.64 -0.42 0.00 -1.94 0.00 0.00 57.00 55.40 1f6s n GLN 54 Cb 0.53 -4.51 -0.04 0.00 0.11 0.00 0.00 30.24 26.33 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 -3.38 4.73 0.74 5.09 1.01 -0.64 -4.48 121.20 124.26 1f6s s ILE 55 Ca 0.41 1.30 -0.11 0.00 0.00 0.00 0.00 60.65 62.25 1f6s s ILE 55 Cb -0.13 -4.21 0.04 0.00 0.01 0.00 0.00 42.46 38.17 1f6s s ILE 55 CO 0.83 -0.31 1.08 0.54 0.00 0.00 0.00 174.94 177.08 1f6s s ASN 56 N 1.63 4.87 -0.30 3.58 2.20 -1.26 -2.03 114.94 123.63 1f6s s ASN 56 Ca 0.35 1.75 0.11 0.00 -0.94 0.00 0.00 52.86 54.13 1f6s s ASN 56 Cb -0.14 -2.51 0.74 0.00 -2.00 0.00 0.00 41.25 37.34 1f6s s ASN 56 CO 0.13 -1.79 1.77 -0.46 -2.94 0.00 0.00 177.10 173.81 1f6s n ASN 57 N -3.33 4.87 0.06 3.54 6.94 -0.91 -3.36 115.26 123.07 1f6s n ASN 57 Ca 0.08 -3.18 -0.23 0.00 -0.02 0.00 0.00 54.58 51.23 1f6s n ASN 57 Cb 0.53 -0.72 -0.15 0.00 -2.36 0.00 0.00 39.78 37.08 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 2.80 0.37 0.00 -3.83 3.64 -1.86 -3.45 116.57 114.24 1f6s h LYS 58 Ca 0.20 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1f6s h LYS 58 Cb 2.20 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 34.26 1f6s h LYS 58 CO 0.66 1.30 0.00 0.44 -2.27 0.00 0.00 179.45 179.57 1f6s n ILE 59 N -3.70 0.00 -0.09 2.00 -5.35 -1.26 -3.85 119.36 107.10 1f6s n ILE 59 Ca -0.24 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.02 1f6s n ILE 59 Cb 1.03 0.63 -0.12 0.00 -1.74 0.00 0.00 39.64 39.44 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 0.00 1.02 -4.15 4.28 7.02 -1.21 -0.36 117.44 124.04 1f6s n TRP 60 Ca 0.00 0.41 -0.15 0.00 -1.02 0.00 0.00 57.50 56.74 1f6s n TRP 60 Cb 0.00 -1.11 -0.11 0.00 -2.42 0.00 0.00 31.31 27.67 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 -2.34 3.54 0.00 0.00 -2.85 -0.85 -4.40 119.74 112.85 1f6s s LYS 62 Ca 0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1f6s s LYS 62 Cb -0.06 -3.14 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1f6s s LYS 62 CO 0.00 0.71 0.00 -0.40 0.10 0.00 0.00 175.35 175.76 1f6s n ASP 63 N 1.49 0.00 -0.04 0.03 5.75 -1.26 -1.47 116.55 121.05 1f6s n ASP 63 Ca -0.15 -0.40 -0.14 0.00 -0.01 0.00 0.00 54.79 54.09 1f6s n ASP 63 Cb 0.54 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 1f6s n ASP 63 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1f6s h ASP 64 N 0.00 0.05 -0.63 -1.12 3.32 -1.99 -3.25 116.42 112.80 1f6s h ASP 64 Ca 0.00 -0.74 0.16 0.00 0.02 0.00 0.00 57.03 56.47 1f6s h ASP 64 Cb 0.00 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1f6s h ASP 64 CO 0.00 0.79 0.44 -0.61 -1.72 0.00 0.00 179.24 178.14 1f6s h GLN 65 N -0.67 0.11 -2.37 3.56 4.15 -1.99 -3.31 115.11 114.57 1f6s h GLN 65 Ca -0.01 -0.01 -0.59 0.00 0.77 0.00 0.00 58.65 58.82 1f6s h GLN 65 Cb 0.79 -0.02 -0.38 0.00 0.21 0.00 0.00 27.48 28.08 1f6s h GLN 65 CO 0.01 0.07 -0.97 -1.71 -1.93 0.00 0.00 178.83 174.30 1f6s n ASN 66 N -4.39 -0.41 0.05 -0.69 4.05 -1.24 -4.96 115.26 107.66 1f6s n ASN 66 Ca 0.12 -2.39 0.07 0.00 0.45 0.00 0.00 54.58 52.83 1f6s n ASN 66 Cb 0.63 -0.56 0.51 0.00 1.23 0.00 0.00 39.78 41.59 1f6s n ASN 66 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1f6s h PRO 67 N 5.61 0.35 -1.80 1.20 0.11 -1.66 -2.84 132.00 132.97 1f6s h PRO 67 Ca 0.27 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 1f6s h PRO 67 Cb 0.91 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.89 1f6s h PRO 67 CO 0.38 0.23 0.14 0.72 -0.21 0.00 0.00 178.00 179.26 1f6s n HIS 68 N -4.49 0.51 -2.96 0.65 8.25 -1.26 -4.90 115.22 111.02 1f6s n HIS 68 Ca 0.03 -1.30 -0.33 0.00 -0.26 0.00 0.00 57.72 55.87 1f6s n HIS 68 Cb 0.15 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 30.56 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 1.36 6.84 0.40 0.41 0.15 -1.07 -4.94 113.70 116.85 1f6s s SER 69 Ca 0.10 1.48 0.12 0.00 0.70 0.00 0.00 55.95 58.34 1f6s s SER 69 Cb 0.08 -2.45 0.83 0.00 -1.71 0.00 0.00 66.02 62.77 1f6s s SER 69 CO -0.00 -0.30 1.91 -1.28 1.20 0.00 0.00 173.24 174.78 1f6s h SER 70 N 2.02 0.11 -6.45 5.45 0.87 -1.76 -3.47 113.55 110.32 1f6s h SER 70 Ca -0.48 -0.02 -0.49 0.00 -1.23 0.00 0.00 61.79 59.56 1f6s h SER 70 Cb 1.18 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1f6s h SER 70 CO 0.63 0.32 -0.93 -3.20 -0.53 0.00 0.00 176.83 173.13 1f6s n ASN 71 N -4.25 -2.92 0.25 6.23 5.15 -0.97 -4.87 115.26 113.90 1f6s n ASN 71 Ca -0.02 -1.06 0.08 0.00 -0.60 0.00 0.00 54.58 52.99 1f6s n ASN 71 Cb 0.30 -2.97 0.64 0.00 -0.53 0.00 0.00 39.78 37.21 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 -1.97 0.96 -0.01 -1.44 2.04 -0.42 -0.65 117.51 116.03 1f6s h ILE 72 Ca -0.66 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1f6s h ILE 72 Cb 1.37 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1f6s h ILE 72 CO 0.55 0.06 -0.06 0.00 0.00 0.00 0.00 178.15 178.70 1f6s n ASN 74 N -0.63 -5.29 -3.52 0.00 4.05 -0.25 -4.97 115.26 104.65 1f6s n ASN 74 Ca 0.18 -1.01 -0.15 0.00 0.45 0.00 0.00 54.58 54.05 1f6s n ASN 74 Cb 0.26 -3.15 -0.05 0.00 1.23 0.00 0.00 39.78 38.07 1f6s n ASN 74 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1f6s s ILE 75 N -3.42 0.00 0.13 -1.44 2.07 -1.26 -5.08 121.20 112.20 1f6s s ILE 75 Ca 0.43 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.37 1f6s s ILE 75 Cb -0.16 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.36 1f6s s ILE 75 CO 0.87 0.00 0.97 -0.55 -1.91 0.00 0.00 174.94 174.32 1f6s s SER 76 N -1.47 7.51 0.44 4.50 0.15 -1.26 -2.01 113.70 121.56 1f6s s SER 76 Ca -0.07 1.83 0.17 0.00 0.70 0.00 0.00 55.95 58.59 1f6s s SER 76 Cb -0.00 -2.59 1.09 0.00 -1.71 0.00 0.00 66.02 62.80 1f6s s SER 76 CO 0.04 -0.04 1.92 0.00 1.20 0.00 0.00 173.24 176.37 1f6s h ASP 78 N 0.37 0.00 0.38 0.00 2.03 -1.92 0.16 116.42 117.44 1f6s h ASP 78 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1f6s h ASP 78 Cb 0.88 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.38 1f6s h ASP 78 CO -0.11 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.39 1f6s n LYS 79 N -3.28 0.07 -0.24 4.15 4.76 -0.52 -2.12 118.16 120.99 1f6s n LYS 79 Ca -0.01 0.23 0.11 0.00 -2.87 0.00 0.00 58.31 55.76 1f6s n LYS 79 Cb 0.23 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.42 0.63 0.33 2.13 0.99 0.57 -4.20 117.46 116.48 1f6s n PHE 80 Ca 0.04 -0.32 0.05 0.00 -0.00 0.00 0.00 57.45 57.23 1f6s n PHE 80 Cb 0.14 0.00 0.06 0.00 -1.00 0.00 0.00 39.48 38.67 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 1.21 1.97 0.00 4.37 4.77 -0.90 -3.64 117.00 124.79 1f6s n LEU 81 Ca 0.19 -1.15 -0.12 0.00 -0.03 0.00 0.00 56.01 54.91 1f6s n LEU 81 Cb 0.52 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1f6s n LEU 81 CO 0.14 0.40 0.27 -0.90 -1.33 0.00 0.00 177.39 175.98 1f6s n ASP 82 N 0.53 0.90 0.05 -1.43 5.68 -1.26 -4.44 116.55 116.58 1f6s n ASP 82 Ca 0.06 -1.71 0.13 0.00 -0.50 0.00 0.00 54.79 52.78 1f6s n ASP 82 Cb 0.27 -0.31 0.42 0.00 -1.14 0.00 0.00 41.12 40.35 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 -2.84 0.51 -4.50 -1.12 8.00 -1.26 -4.71 116.55 110.63 1f6s n ASP 83 Ca 0.09 0.39 -0.43 0.00 0.71 0.00 0.00 54.79 55.55 1f6s n ASP 83 Cb 0.33 -0.43 -0.06 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 -3.84 6.30 0.00 -2.24 2.15 -1.26 -4.92 116.67 112.86 1f6s s ASP 84 Ca 0.11 -0.51 0.17 0.00 0.43 0.00 0.00 52.55 52.75 1f6s s ASP 84 Cb 0.15 -2.33 0.85 0.00 -0.30 0.00 0.00 42.92 41.30 1f6s s ASP 84 CO 0.61 -0.87 1.57 0.18 -0.17 0.00 0.00 175.17 176.49 1f6s n LEU 85 N 6.39 0.64 0.02 -1.34 4.77 -1.26 -4.29 117.00 121.93 1f6s n LEU 85 Ca -0.03 -0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.57 1f6s n LEU 85 Cb 0.47 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1f6s n LEU 85 CO 0.55 0.14 0.86 0.74 -1.33 0.00 0.00 177.39 178.34 1f6s h THR 86 N 0.83 0.93 -0.01 -5.08 2.02 -1.94 0.47 112.91 110.13 1f6s h THR 86 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1f6s h THR 86 Cb 0.18 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1f6s h THR 86 CO 0.00 0.00 -0.64 -2.24 0.37 0.00 0.00 175.52 173.01 1f6s h ASP 87 N -0.00 0.05 -0.07 4.18 3.04 -1.92 -2.36 116.42 119.34 1f6s h ASP 87 Ca 0.03 -0.03 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1f6s h ASP 87 Cb 0.05 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1f6s h ASP 87 CO -0.07 0.67 0.04 0.44 -2.04 0.00 0.00 179.24 178.28 1f6s h ASP 88 N 0.03 0.08 -0.65 4.15 5.19 -1.72 -2.03 116.42 121.46 1f6s h ASP 88 Ca -0.01 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.31 1f6s h ASP 88 Cb 1.13 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.59 1f6s h ASP 88 CO 0.09 0.13 0.34 0.40 -3.12 0.00 0.00 179.24 177.07 1f6s h ILE 89 N 0.03 1.21 -0.78 0.35 2.04 -0.82 0.83 117.51 120.36 1f6s h ILE 89 Ca 0.02 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1f6s h ILE 89 Cb 0.07 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1f6s h ILE 89 CO -0.00 0.25 0.32 0.24 0.00 0.00 0.00 178.15 178.96 1f6s h MET 90 N 0.95 1.15 -0.34 2.37 2.86 -1.18 -1.67 114.93 119.08 1f6s h MET 90 Ca 0.24 -0.20 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 1f6s h MET 90 Cb 0.07 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1f6s h MET 90 CO -0.03 0.93 -0.33 0.00 1.06 0.00 0.00 176.91 178.54 1f6s h VAL 92 N 0.63 1.20 -0.67 0.00 2.07 -0.40 -1.56 116.25 117.53 1f6s h VAL 92 Ca 0.07 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1f6s h VAL 92 Cb 0.86 -0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1f6s h VAL 92 CO 0.07 0.24 0.24 0.11 0.02 0.00 0.00 177.57 178.25 1f6s h LYS 93 N 1.29 1.00 -0.37 1.57 1.57 -1.05 0.56 116.57 121.15 1f6s h LYS 93 Ca 0.38 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1f6s h LYS 93 Cb -0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1f6s h LYS 93 CO -0.11 0.83 -0.18 0.87 -0.57 0.00 0.00 179.45 180.30 1f6s h LYS 94 N 0.98 0.69 -0.37 3.15 1.57 -1.16 -0.91 116.57 120.52 1f6s h LYS 94 Ca 0.22 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1f6s h LYS 94 Cb 0.22 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1f6s h LYS 94 CO -0.02 0.83 0.03 0.82 -0.57 0.00 0.00 179.45 180.54 1f6s h ILE 95 N 0.62 1.25 -0.46 1.86 2.04 -0.47 -1.94 117.51 120.40 1f6s h ILE 95 Ca 0.10 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1f6s h ILE 95 Cb 0.65 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1f6s h ILE 95 CO 0.05 0.31 0.18 -0.07 0.00 0.00 0.00 178.15 178.62 1f6s h LEU 96 N 0.46 0.63 -1.58 1.44 3.38 -0.71 0.88 115.31 119.82 1f6s h LEU 96 Ca 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1f6s h LEU 96 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1f6s h LEU 96 CO 0.01 0.63 0.06 0.44 0.09 0.00 0.00 178.44 179.67 1f6s h ASP 97 N 0.60 0.30 0.00 -0.43 3.32 -1.07 -2.53 116.42 116.60 1f6s h ASP 97 Ca 0.15 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 1f6s h ASP 97 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1f6s h ASP 97 CO -0.01 0.31 -1.32 0.29 -1.72 0.00 0.00 179.24 176.78 1f6s n LYS 98 N -4.41 0.53 -0.00 3.56 5.02 -0.74 -4.72 118.16 117.41 1f6s n LYS 98 Ca 0.00 0.35 0.08 0.00 -2.02 0.00 0.00 58.31 56.73 1f6s n LYS 98 Cb 0.15 -1.56 -0.10 0.00 -0.02 0.00 0.00 35.03 33.50 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 -4.44 0.00 0.00 -0.18 0.24 0.23 -5.10 118.33 109.09 1f6s n VAL 99 Ca -0.26 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1f6s n VAL 99 Cb 0.58 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 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 1.41 -1.15 0.34 7.63 0.00 -0.77 -4.38 105.19 108.28 1f6s n GLY 100 Ca 0.02 -1.62 0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 0.09 0.00 -0.61 6.09 -1.86 -2.49 117.51 118.73 1f6s h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1f6s h ILE 101 Cb 0.00 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.16 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 -3.15 0.00 -0.16 2.19 3.02 -1.26 -1.90 115.26 114.00 1f6s n ASN 102 Ca -0.02 -0.51 -0.04 0.00 -0.03 0.00 0.00 54.58 53.98 1f6s n ASN 102 Cb 0.20 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.93 -2.47 3.10 3.20 -1.69 -3.33 116.97 116.72 1f6s h TYR 103 Ca 0.00 -0.10 -0.69 0.00 3.14 0.00 0.00 58.73 61.08 1f6s h TYR 103 Cb 0.00 -0.27 -0.18 0.00 1.54 0.00 0.00 36.73 37.82 1f6s h TYR 103 CO 0.00 0.79 0.79 -1.58 -1.64 0.00 0.00 178.16 176.51 1f6s s TRP 104 N -5.20 3.12 0.53 -3.82 0.51 -0.80 -4.88 118.94 108.41 1f6s s TRP 104 Ca -0.10 -1.37 0.39 0.00 -2.12 0.00 0.00 56.10 52.90 1f6s s TRP 104 Cb 0.15 -4.26 1.58 0.00 -0.81 0.00 0.00 33.47 30.13 1f6s s TRP 104 CO 0.81 -1.48 1.72 1.25 -0.51 0.00 0.00 176.95 178.75 1f6s h LEU 105 N 10.35 0.04 -1.25 2.99 5.85 -1.83 0.12 115.31 131.58 1f6s h LEU 105 Ca 0.13 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1f6s h LEU 105 Cb 1.03 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1f6s h LEU 105 CO 1.10 -0.01 -0.36 0.00 -0.34 0.00 0.00 178.44 178.83 1f6s h ALA 106 N 1.31 1.29 0.36 1.25 0.00 -1.90 -3.23 119.26 118.35 1f6s h ALA 106 Ca 0.69 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f6s h ALA 106 Cb 2.70 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.40 1f6s h ALA 106 CO -0.05 0.45 -0.43 1.25 0.00 0.00 0.00 179.25 180.47 1f6s h HIS 107 N 0.00 -1.20 0.02 0.00 -0.00 -1.05 0.41 115.15 113.33 1f6s h HIS 107 Ca -0.00 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1f6s h HIS 107 Cb 0.68 0.48 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 1f6s h HIS 107 CO 0.00 -0.58 -0.05 -0.22 -0.00 0.00 0.00 177.93 177.08 1f6s h LYS 108 N -0.83 -0.10 -0.76 5.26 3.64 -1.74 0.42 116.57 122.45 1f6s h LYS 108 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1f6s h LYS 108 Cb 0.76 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 1f6s h LYS 108 CO -0.11 -0.06 0.42 0.00 -2.27 0.00 0.00 179.45 177.43 1f6s h ALA 109 N 0.87 0.98 0.00 5.00 0.00 -1.55 -3.40 119.26 121.17 1f6s h ALA 109 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1f6s h ALA 109 Cb 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1f6s h ALA 109 CO -0.04 0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1f6s n LEU 110 N -4.44 0.07 -1.42 0.00 4.32 0.12 -4.90 117.00 110.74 1f6s n LEU 110 Ca 0.07 -0.19 -0.11 0.00 -0.02 0.00 0.00 56.01 55.76 1f6s n LEU 110 Cb 0.09 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.00 1f6s n LEU 110 CO 0.38 0.02 0.30 0.00 -1.22 0.00 0.00 177.39 176.87 1f6s n SER 112 N -0.90 0.33 -4.20 0.00 7.64 -1.08 -4.77 113.62 110.63 1f6s n SER 112 Ca 0.34 -0.66 -0.12 0.00 1.01 0.00 0.00 58.87 59.44 1f6s n SER 112 Cb 0.86 0.90 -0.10 0.00 -1.01 0.00 0.00 64.21 64.85 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 -1.31 0.97 -0.64 1.43 2.02 -1.26 -4.94 118.70 114.96 1f6s s GLU 113 Ca 0.02 -1.44 -0.12 0.00 0.02 0.00 0.00 54.97 53.45 1f6s s GLU 113 Cb 0.03 -0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.09 1f6s s GLU 113 CO 0.17 -0.09 0.64 1.63 0.02 0.00 0.00 175.26 177.63 1f6s n LYS 114 N -0.14 -1.74 -0.01 1.61 5.02 -1.26 -4.95 118.16 116.70 1f6s n LYS 114 Ca -0.09 1.38 0.08 0.00 -2.02 0.00 0.00 58.31 57.66 1f6s n LYS 114 Cb 0.62 -3.84 -0.13 0.00 -0.02 0.00 0.00 35.03 31.66 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 -1.39 0.00 0.24 -0.35 7.99 -1.26 -4.51 117.00 117.72 1f6s n LEU 115 Ca -0.10 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 55.98 1f6s n LEU 115 Cb 0.59 0.01 0.63 0.00 -0.11 0.00 0.00 43.42 44.54 1f6s n LEU 115 CO 0.56 0.01 1.08 0.44 -1.51 0.00 0.00 177.39 177.97 1f6s h ASP 116 N 0.00 0.03 -0.04 -1.43 3.32 -1.97 -1.51 116.42 114.81 1f6s h ASP 116 Ca -0.01 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1f6s h ASP 116 Cb 0.81 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1f6s h ASP 116 CO 0.00 0.02 0.03 0.06 -1.72 0.00 0.00 179.24 177.63 1f6s h GLN 117 N 0.03 0.00 -0.44 3.56 3.07 -1.99 -2.10 115.11 117.24 1f6s h GLN 117 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1f6s h GLN 117 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 1f6s h GLN 117 CO -0.00 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.83 1f6s n TRP 118 N -4.13 0.55 -2.68 0.06 7.02 -0.57 -4.93 117.44 112.76 1f6s n TRP 118 Ca -0.02 -0.24 -0.24 0.00 -1.02 0.00 0.00 57.50 55.98 1f6s n TRP 118 Cb 0.13 -0.06 0.03 0.00 -2.42 0.00 0.00 31.31 28.98 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 -1.05 3.38 0.27 -0.99 1.43 -0.79 -4.76 118.68 116.18 1f6s s LEU 119 Ca 0.22 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.72 1f6s s LEU 119 Cb 0.13 -3.21 -0.06 0.00 0.03 0.00 0.00 46.19 43.09 1f6s s LEU 119 CO 0.13 -0.97 0.01 0.00 0.23 0.00 0.00 176.35 175.75 1f6s s GLU 121 N -3.86 0.89 0.00 0.00 2.02 -1.26 -5.18 118.70 111.32 1f6s s GLU 121 Ca 0.32 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1f6s s GLU 121 Cb 0.06 -0.90 0.00 0.00 0.10 0.00 0.00 34.13 33.39 1f6s s GLU 121 CO 0.12 0.22 0.00 0.36 0.02 0.00 0.00 175.26 175.97