#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4a n ILE 6 N 0.00 0.00 -3.52 -1.33 -6.64 -1.26 -5.16 119.36 101.45 3f4a n ILE 6 Ca 0.00 -1.56 -0.30 0.00 -1.77 0.00 0.00 62.75 59.12 3f4a n ILE 6 Cb 0.00 0.17 -0.04 0.00 -1.44 0.00 0.00 39.64 38.33 3f4a n ILE 6 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 3f4a s THR 7 N -2.10 5.08 -1.08 7.28 -4.23 -1.26 -5.02 115.64 114.31 3f4a s THR 7 Ca 0.06 0.09 0.13 0.00 -1.18 0.00 0.00 61.69 60.79 3f4a s THR 7 Cb -0.00 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.54 3f4a s THR 7 CO 0.04 -0.12 1.31 -0.46 -0.54 0.00 0.00 174.62 174.85 3f4a n ASN 8 N -0.37 3.16 -3.83 3.99 0.23 -1.26 -4.85 115.26 112.32 3f4a n ASN 8 Ca -0.02 -2.04 -0.14 0.00 -0.53 0.00 0.00 54.58 51.86 3f4a n ASN 8 Cb 0.53 -0.29 -0.15 0.00 -2.08 0.00 0.00 39.78 37.79 3f4a n ASN 8 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3f4a s VAL 9 N -1.07 0.03 0.23 3.53 1.01 -1.26 -4.09 120.40 118.79 3f4a s VAL 9 Ca 0.28 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.37 3f4a s VAL 9 Cb 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.39 3f4a s VAL 9 CO 0.19 0.06 0.01 -0.54 0.00 0.00 0.00 175.10 174.82 3f4a s LYS 10 N 0.51 1.32 0.21 2.72 1.02 -0.98 -5.02 119.74 119.52 3f4a s LYS 10 Ca -0.04 -1.67 -0.22 0.00 0.02 0.00 0.00 55.97 54.05 3f4a s LYS 10 Cb -0.07 -0.54 -0.08 0.00 -0.52 0.00 0.00 37.83 36.62 3f4a s LYS 10 CO -0.01 -0.13 0.76 0.71 -0.92 0.00 0.00 175.35 175.76 3f4a s TYR 11 N -3.48 3.75 -0.08 3.18 2.02 -1.26 -1.01 117.35 120.45 3f4a s TYR 11 Ca 0.29 1.51 0.05 0.00 -0.37 0.00 0.00 57.07 58.55 3f4a s TYR 11 Cb 0.06 -2.70 -0.00 0.00 -0.40 0.00 0.00 41.96 38.92 3f4a s TYR 11 CO 0.09 0.39 -0.24 -1.17 -1.57 0.00 0.00 175.55 173.04 3f4a s LEU 12 N -1.68 2.08 0.28 -1.29 2.96 0.09 -4.89 118.68 116.23 3f4a s LEU 12 Ca 0.41 -0.54 -0.27 0.00 -0.22 0.00 0.00 54.13 53.51 3f4a s LEU 12 Cb -0.19 -1.39 -0.09 0.00 0.50 0.00 0.00 46.19 45.01 3f4a s LEU 12 CO 0.23 0.19 0.92 -1.81 -1.32 0.00 0.00 176.35 174.56 3f4a s ASP 13 N 0.16 7.43 0.41 3.68 -0.00 -1.26 -0.20 116.67 126.90 3f4a s ASP 13 Ca -0.13 1.84 0.22 0.00 -0.00 0.00 0.00 52.55 54.48 3f4a s ASP 13 Cb -0.16 -2.58 1.21 0.00 -0.00 0.00 0.00 42.92 41.39 3f4a s ASP 13 CO 0.07 0.03 1.73 -0.65 -0.00 0.00 0.00 175.17 176.35 3f4a h PRO 14 N 3.59 0.28 -0.10 8.23 0.11 -1.95 0.58 132.00 142.75 3f4a h PRO 14 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3f4a h PRO 14 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3f4a h PRO 14 CO 0.66 0.19 -0.11 1.79 -0.21 0.00 0.00 178.00 180.31 3f4a h THR 15 N 0.29 1.14 0.04 -1.15 1.35 -1.97 0.47 112.91 113.07 3f4a h THR 15 Ca 0.66 -0.62 -0.09 0.00 -0.55 0.00 0.00 66.41 65.81 3f4a h THR 15 Cb 1.84 1.20 0.01 0.00 -1.73 0.00 0.00 68.15 69.46 3f4a h THR 15 CO -0.33 0.19 -0.39 -0.33 -0.25 0.00 0.00 175.52 174.41 3f4a h GLU 16 N 0.14 0.20 -0.58 4.72 5.08 -1.28 -2.27 114.58 120.59 3f4a h GLU 16 Ca 0.03 -0.26 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3f4a h GLU 16 Cb 0.30 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3f4a h GLU 16 CO 0.02 1.04 0.26 1.25 -1.00 0.00 0.00 179.01 180.58 3f4a h LEU 17 N -0.52 0.32 -0.50 1.33 5.85 -1.16 -1.03 115.31 119.60 3f4a h LEU 17 Ca -0.06 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3f4a h LEU 17 Cb 1.21 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 3f4a h LEU 17 CO 0.08 0.21 0.21 -0.74 -0.34 0.00 0.00 178.44 177.85 3f4a h HIS 18 N 0.48 0.37 -0.65 1.25 2.76 -0.91 -1.92 115.15 116.54 3f4a h HIS 18 Ca 0.28 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.52 3f4a h HIS 18 Cb 0.27 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 3f4a h HIS 18 CO -0.13 0.15 0.38 -0.09 -1.30 0.00 0.00 177.93 176.94 3f4a h ARG 19 N 0.41 0.69 -1.17 5.26 2.43 -0.84 0.97 114.38 122.14 3f4a h ARG 19 Ca 0.23 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3f4a h ARG 19 Cb 0.21 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3f4a h ARG 19 CO -0.21 0.46 0.00 0.91 -1.51 0.00 0.00 179.97 179.62 3f4a n TRP 20 N -4.76 0.00 0.00 2.20 7.02 -0.44 -0.77 117.44 120.69 3f4a n TRP 20 Ca 0.07 -0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 3f4a n TRP 20 Cb 0.14 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 3f4a n TRP 20 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3f4a n GLN 22 N 0.72 0.00 0.10 -0.99 1.13 0.33 -0.10 117.38 118.57 3f4a n GLN 22 Ca 0.00 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.16 3f4a n GLN 22 Cb 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.41 3f4a n GLN 22 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3f4a h GLU 23 N 0.00 0.00 0.00 -1.09 5.08 -1.21 -3.48 114.58 113.88 3f4a h GLU 23 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3f4a h GLU 23 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3f4a h GLU 23 CO 0.00 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 3f4a n GLY 24 N 1.21 0.52 3.66 -3.84 0.00 0.86 -5.00 105.19 102.60 3f4a n GLY 24 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3f4a n GLY 24 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3f4a s HIS 25 N -2.23 -0.12 0.78 1.61 0.00 -0.94 -4.90 115.29 109.50 3f4a s HIS 25 Ca 0.00 -0.07 -0.13 0.00 -3.00 0.00 0.00 55.06 51.86 3f4a s HIS 25 Cb 0.00 0.58 0.07 0.00 -4.00 0.00 0.00 32.58 29.23 3f4a s HIS 25 CO 0.00 -0.54 1.19 0.95 -1.00 0.00 0.00 174.74 175.34 3f4a s THR 26 N -2.88 2.26 -0.08 -5.38 -4.23 0.08 -4.44 115.64 100.97 3f4a s THR 26 Ca 0.12 0.11 -0.27 0.00 -1.18 0.00 0.00 61.69 60.48 3f4a s THR 26 Cb 0.01 -2.54 -0.24 0.00 1.34 0.00 0.00 72.50 71.07 3f4a s THR 26 CO -0.02 -0.08 0.99 0.74 -0.54 0.00 0.00 174.62 175.71 3f4a h THR 27 N -0.76 1.60 -0.00 3.99 2.02 -1.93 -2.21 112.91 115.62 3f4a h THR 27 Ca -0.46 -1.90 -0.04 0.00 0.77 0.00 0.00 66.41 64.78 3f4a h THR 27 Cb 1.29 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 3f4a h THR 27 CO 0.47 0.50 -0.14 0.71 0.37 0.00 0.00 175.52 177.43 3f4a h THR 28 N -0.69 1.58 -0.01 3.16 1.35 -2.00 -3.36 112.91 112.94 3f4a h THR 28 Ca -0.01 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 3f4a h THR 28 Cb 0.87 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 70.11 3f4a h THR 28 CO 0.02 0.51 -0.45 0.18 -0.25 0.00 0.00 175.52 175.53 3f4a n LEU 29 N -4.59 1.69 -2.78 3.87 4.77 -1.26 -4.97 117.00 113.73 3f4a n LEU 29 Ca -0.10 -0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 54.95 3f4a n LEU 29 Cb 0.45 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3f4a n LEU 29 CO 0.37 0.33 0.05 0.54 -1.33 0.00 0.00 177.39 177.34 3f4a n ARG 30 N -0.23 -4.91 -3.02 3.23 5.12 -0.83 -4.96 116.66 111.05 3f4a n ARG 30 Ca 0.07 0.78 -0.32 0.00 -1.93 0.00 0.00 57.85 56.46 3f4a n ARG 30 Cb 0.38 -5.43 -0.05 0.00 -1.16 0.00 0.00 32.46 26.20 3f4a n ARG 30 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3f4a s GLU 31 N -5.69 3.94 0.75 5.56 2.02 -1.26 -4.64 118.70 119.39 3f4a s GLU 31 Ca 0.32 0.63 -0.11 0.00 0.02 0.00 0.00 54.97 55.84 3f4a s GLU 31 Cb -0.14 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.73 3f4a s GLU 31 CO 0.40 0.08 1.09 -1.25 0.02 0.00 0.00 175.26 175.60 3f4a s PRO 32 N -3.28 2.40 0.08 0.39 0.04 -1.26 -0.74 135.00 132.63 3f4a s PRO 32 Ca 0.54 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 3f4a s PRO 32 Cb -0.10 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3f4a s PRO 32 CO 0.22 -1.53 0.09 -0.59 0.04 0.00 0.00 177.00 175.22 3f4a s PHE 33 N -2.87 0.42 -0.15 0.56 -0.12 -1.26 -1.48 117.98 113.07 3f4a s PHE 33 Ca 0.61 -0.88 -0.06 0.00 -0.05 0.00 0.00 56.93 56.55 3f4a s PHE 33 Cb -0.17 -0.25 0.07 0.00 -0.63 0.00 0.00 43.02 42.04 3f4a s PHE 33 CO 0.54 -0.49 0.32 -1.14 -0.05 0.00 0.00 175.22 174.41 3f4a s GLN 34 N -3.92 0.21 0.14 1.99 2.00 0.30 -4.90 119.66 115.48 3f4a s GLN 34 Ca 0.09 0.85 -0.27 0.00 -2.00 0.00 0.00 55.36 54.03 3f4a s GLN 34 Cb 0.06 0.10 -0.07 0.00 0.80 0.00 0.00 33.01 33.90 3f4a s GLN 34 CO -0.08 -0.27 0.85 0.08 -0.50 0.00 0.00 175.29 175.37 3f4a s VAL 35 N 2.46 4.44 -0.21 1.34 1.01 -1.26 -0.99 120.40 127.18 3f4a s VAL 35 Ca -0.00 1.84 0.01 0.00 0.00 0.00 0.00 61.98 63.82 3f4a s VAL 35 Cb -0.12 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.10 3f4a s VAL 35 CO -0.10 0.43 -0.07 -0.69 0.00 0.00 0.00 175.10 174.67 3f4a s VAL 36 N -0.61 1.48 -0.25 2.92 1.01 0.65 -0.80 120.40 124.80 3f4a s VAL 36 Ca 0.40 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 3f4a s VAL 36 Cb -0.23 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 3f4a s VAL 36 CO 0.27 0.02 0.40 -0.62 0.00 0.00 0.00 175.10 175.17 3f4a s ASP 37 N 1.44 6.32 -0.10 3.32 -1.08 0.63 -1.89 116.67 125.31 3f4a s ASP 37 Ca -0.03 0.37 0.14 0.00 -0.52 0.00 0.00 52.55 52.51 3f4a s ASP 37 Cb -0.17 -2.22 0.46 0.00 -1.46 0.00 0.00 42.92 39.53 3f4a s ASP 37 CO -0.07 -0.17 1.38 1.33 0.52 0.00 0.00 175.17 178.16 3f4a n VAL 38 N 4.94 1.74 -1.91 1.11 0.24 -0.31 -1.47 118.33 122.66 3f4a n VAL 38 Ca -0.08 -1.46 -0.40 0.00 -2.04 0.00 0.00 64.34 60.37 3f4a n VAL 38 Cb 0.51 0.08 0.01 0.00 -1.47 0.00 0.00 33.84 32.96 3f4a n VAL 38 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3f4a s ARG 39 N -2.01 3.82 0.00 7.34 0.52 -1.26 -0.63 118.95 126.73 3f4a s ARG 39 Ca 0.36 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 57.87 3f4a s ARG 39 Cb 0.25 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 33.01 3f4a s ARG 39 CO 0.13 -0.66 0.00 0.41 0.02 0.00 0.00 175.30 175.20 3f4a n GLY 40 N 0.61 -0.03 0.24 -3.53 0.00 -1.26 -4.23 105.19 96.99 3f4a n GLY 40 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.23 3f4a n GLY 40 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f4a h SER 41 N 0.00 0.00 -0.25 1.61 4.64 -2.04 -2.85 113.55 114.67 3f4a h SER 41 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3f4a h SER 41 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3f4a h SER 41 CO 0.00 0.00 -0.14 -0.90 -0.87 0.00 0.00 176.83 174.92 3f4a n ASP 42 N -2.83 2.52 -2.79 4.97 5.75 -1.26 -5.13 116.55 117.77 3f4a n ASP 42 Ca 0.01 -3.64 -0.19 0.00 -0.01 0.00 0.00 54.79 50.95 3f4a n ASP 42 Cb 0.26 -0.59 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 3f4a n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f4a n TYR 43 N -1.07 0.99 -0.81 2.11 9.36 -1.08 -5.03 117.16 121.64 3f4a n TYR 43 Ca 0.28 -1.77 0.00 0.00 3.32 0.00 0.00 57.90 59.73 3f4a n TYR 43 Cb 0.92 -1.62 0.00 0.00 -0.63 0.00 0.00 39.34 38.01 3f4a n TYR 43 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3f4a n GLY 45 N 3.30 0.54 0.00 2.98 0.00 -1.26 -4.72 105.19 106.02 3f4a n GLY 45 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3f4a n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f4a n GLY 46 N -1.92 4.16 3.43 -0.02 0.00 -0.93 -1.34 105.19 108.57 3f4a n GLY 46 Ca 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 3f4a n GLY 46 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3f4a s HIS 47 N -1.61 0.44 0.14 1.61 -0.00 -0.23 -4.93 115.29 110.70 3f4a s HIS 47 Ca 0.00 -0.78 -0.30 0.00 -0.00 0.00 0.00 55.06 53.97 3f4a s HIS 47 Cb 0.00 0.01 -0.07 0.00 -0.00 0.00 0.00 32.58 32.52 3f4a s HIS 47 CO 0.00 -0.83 1.17 0.42 -0.00 0.00 0.00 174.74 175.50 3f4a s ILE 48 N -4.00 3.81 0.29 -5.38 1.01 -1.26 -0.42 121.20 115.26 3f4a s ILE 48 Ca 0.21 1.45 -0.30 0.00 0.00 0.00 0.00 60.65 62.01 3f4a s ILE 48 Cb 0.02 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.45 3f4a s ILE 48 CO 0.05 0.19 1.61 -0.75 0.00 0.00 0.00 174.94 176.04 3f4a s LYS 49 N 0.19 4.11 0.00 2.79 2.20 0.08 -2.24 119.74 126.87 3f4a s LYS 49 Ca 0.54 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.75 3f4a s LYS 49 Cb -0.31 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3f4a s LYS 49 CO 0.33 -0.65 0.00 -0.25 -0.36 0.00 0.00 175.35 174.43 3f4a n ASP 50 N 2.18 0.00 -4.76 1.43 8.00 -1.26 -4.95 116.55 117.19 3f4a n ASP 50 Ca 0.08 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 3f4a n ASP 50 Cb 0.37 -0.41 0.12 0.00 -0.02 0.00 0.00 41.12 41.18 3f4a n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3f4a s GLY 51 N -2.00 1.61 0.04 0.44 0.00 -0.95 -4.72 107.32 101.74 3f4a s GLY 51 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.56 3f4a s GLY 51 CO 0.00 0.28 -0.03 -0.98 0.00 0.00 0.00 173.10 172.37 3f4a s TRP 52 N -3.07 2.95 -0.34 1.90 0.51 0.02 -4.98 118.94 115.94 3f4a s TRP 52 Ca 0.62 -0.02 -0.06 0.00 -2.12 0.00 0.00 56.10 54.53 3f4a s TRP 52 Cb -0.16 -1.58 0.04 0.00 -0.81 0.00 0.00 33.47 30.96 3f4a s TRP 52 CO 0.55 0.44 0.10 -1.58 -0.51 0.00 0.00 176.95 175.95 3f4a s HIS 53 N -1.15 3.26 -0.35 -1.98 2.46 -1.26 -0.27 115.29 115.99 3f4a s HIS 53 Ca 0.21 -1.46 0.01 0.00 0.47 0.00 0.00 55.06 54.29 3f4a s HIS 53 Cb -0.11 -2.27 0.11 0.00 -0.13 0.00 0.00 32.58 30.18 3f4a s HIS 53 CO 0.13 -0.74 0.13 0.71 -2.47 0.00 0.00 174.74 172.50 3f4a s TYR 54 N 1.39 2.16 0.24 3.88 2.02 -0.54 -4.98 117.35 121.52 3f4a s TYR 54 Ca -0.02 -2.15 -0.31 0.00 -0.37 0.00 0.00 57.07 54.21 3f4a s TYR 54 Cb -0.20 -1.99 -0.12 0.00 -0.40 0.00 0.00 41.96 39.26 3f4a s TYR 54 CO 0.03 -0.86 1.67 0.00 -1.57 0.00 0.00 175.55 174.81 3f4a n ALA 55 N 4.39 2.69 -0.30 3.71 0.00 -1.26 -4.12 120.51 125.62 3f4a n ALA 55 Ca 0.02 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.87 3f4a n ALA 55 Cb 0.40 -2.50 0.21 0.00 0.00 0.00 0.00 19.45 17.57 3f4a n ALA 55 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3f4a h TYR 56 N 6.03 1.07 -0.49 0.00 3.20 -1.14 -0.52 116.97 125.13 3f4a h TYR 56 Ca -0.45 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.52 3f4a h TYR 56 Cb 1.21 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3f4a h TYR 56 CO 0.62 0.61 0.33 0.66 -1.64 0.00 0.00 178.16 178.74 3f4a h SER 57 N 1.10 0.35 0.15 -2.11 4.64 -1.90 -0.76 113.55 115.01 3f4a h SER 57 Ca 0.36 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.42 3f4a h SER 57 Cb 0.05 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3f4a h SER 57 CO -0.11 0.22 -1.25 -0.09 -0.87 0.00 0.00 176.83 174.73 3f4a h ARG 58 N 0.39 0.32 -0.94 4.77 2.43 -1.73 -3.17 114.38 116.45 3f4a h ARG 58 Ca 0.22 -0.54 0.11 0.00 -0.81 0.00 0.00 59.98 58.96 3f4a h ARG 58 Cb 0.36 0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 3f4a h ARG 58 CO -0.05 1.26 0.58 -0.07 -1.51 0.00 0.00 179.97 180.17 3f4a h LEU 59 N -0.23 0.84 -0.50 3.80 3.38 -0.34 0.78 115.31 123.04 3f4a h LEU 59 Ca -0.25 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3f4a h LEU 59 Cb 1.81 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 3f4a h LEU 59 CO 0.13 0.46 0.03 0.50 0.09 0.00 0.00 178.44 179.64 3f4a h LYS 60 N 0.93 0.86 0.00 1.13 1.63 -1.29 -3.28 116.57 116.56 3f4a h LYS 60 Ca 0.46 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 3f4a h LYS 60 Cb 0.44 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3f4a h LYS 60 CO -0.26 0.89 -0.55 0.37 -3.45 0.00 0.00 179.45 176.44 3f4a h GLN 61 N 0.73 0.00 -3.13 1.90 4.15 -1.35 -3.43 115.11 113.97 3f4a h GLN 61 Ca 0.14 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.94 3f4a h GLN 61 Cb 0.48 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 27.77 3f4a h GLN 61 CO 0.02 0.04 -0.70 0.34 -1.93 0.00 0.00 178.83 176.60 3f4a s ASP 62 N -5.81 3.89 0.51 -0.69 -1.08 0.20 -4.98 116.67 108.71 3f4a s ASP 62 Ca 0.03 -2.76 0.21 0.00 -0.52 0.00 0.00 52.55 49.51 3f4a s ASP 62 Cb 0.07 -1.25 1.30 0.00 -1.46 0.00 0.00 42.92 41.58 3f4a s ASP 62 CO 0.74 -0.26 2.02 -0.65 0.52 0.00 0.00 175.17 177.54 3f4a h PRO 63 N 6.66 0.08 0.00 4.34 0.11 -1.84 0.62 132.00 141.97 3f4a h PRO 63 Ca -0.04 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 3f4a h PRO 63 Cb 0.92 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3f4a h PRO 63 CO 0.56 0.05 -0.38 0.93 -0.21 0.00 0.00 178.00 178.95 3f4a h GLU 64 N 0.08 0.00 -0.11 1.05 4.39 -1.94 -1.25 114.58 116.81 3f4a h GLU 64 Ca 0.21 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 3f4a h GLU 64 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 3f4a h GLU 64 CO -0.02 0.38 -0.35 -0.92 -1.16 0.00 0.00 179.01 176.94 3f4a h TYR 65 N 0.00 0.57 -0.82 4.33 3.20 -1.23 -1.50 116.97 121.52 3f4a h TYR 65 Ca -0.00 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.63 3f4a h TYR 65 Cb 0.81 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 3f4a h TYR 65 CO 0.00 0.97 0.49 1.25 -1.64 0.00 0.00 178.16 179.23 3f4a h LEU 66 N 0.01 0.98 -1.03 2.82 5.85 -1.37 -2.00 115.31 120.58 3f4a h LEU 66 Ca -0.01 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3f4a h LEU 66 Cb 0.98 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 3f4a h LEU 66 CO 0.08 0.76 0.64 0.03 -0.34 0.00 0.00 178.44 179.61 3f4a h ARG 67 N 1.12 1.29 -0.40 1.25 3.08 -1.19 -0.23 114.38 119.30 3f4a h ARG 67 Ca 0.29 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 3f4a h ARG 67 Cb -0.04 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.71 3f4a h ARG 67 CO -0.05 0.86 0.11 1.49 -1.07 0.00 0.00 179.97 181.31 3f4a h GLU 68 N 1.32 0.63 -0.21 0.04 4.81 -0.85 0.11 114.58 120.43 3f4a h GLU 68 Ca 0.36 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3f4a h GLU 68 Cb -0.14 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.13 3f4a h GLU 68 CO -0.08 0.63 0.10 1.25 -0.73 0.00 0.00 179.01 180.19 3f4a h LEU 69 N 0.50 0.14 -0.16 1.64 5.85 -1.12 -0.13 115.31 122.04 3f4a h LEU 69 Ca 0.13 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3f4a h LEU 69 Cb 0.28 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3f4a h LEU 69 CO -0.00 0.11 -0.06 0.50 -0.34 0.00 0.00 178.44 178.65 3f4a h LYS 70 N 0.21 -0.04 -0.42 1.25 3.64 -0.78 -1.08 116.57 119.35 3f4a h LYS 70 Ca 0.09 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3f4a h LYS 70 Cb 0.03 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3f4a h LYS 70 CO -0.07 -0.02 0.17 0.45 -2.27 0.00 0.00 179.45 177.71 3f4a h HIS 71 N -0.04 0.30 -0.61 1.91 3.86 -0.71 -0.88 115.15 118.98 3f4a h HIS 71 Ca 0.08 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3f4a h HIS 71 Cb 0.16 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3f4a h HIS 71 CO -0.21 0.13 0.27 0.00 0.86 0.00 0.00 177.93 178.98 3f4a h ARG 72 N 0.35 0.90 -0.23 2.45 3.08 -0.72 0.32 114.38 120.53 3f4a h ARG 72 Ca 0.19 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3f4a h ARG 72 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3f4a h ARG 72 CO -0.18 0.75 0.06 -0.07 -1.07 0.00 0.00 179.97 179.46 3f4a h LEU 73 N 0.85 0.36 -0.97 3.04 3.38 -0.89 -2.21 115.31 118.87 3f4a h LEU 73 Ca 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3f4a h LEU 73 Cb 0.17 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3f4a h LEU 73 CO -0.02 0.50 0.32 -0.07 0.09 0.00 0.00 178.44 179.25 3f4a h LEU 74 N 0.20 0.97 -0.22 1.67 3.38 -0.99 -0.78 115.31 119.55 3f4a h LEU 74 Ca 0.07 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3f4a h LEU 74 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3f4a h LEU 74 CO 0.00 0.84 0.10 -0.08 0.09 0.00 0.00 178.44 179.39 3f4a h GLU 75 N 1.05 0.20 -0.41 1.13 4.81 -0.88 -1.71 114.58 118.78 3f4a h GLU 75 Ca 0.25 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3f4a h GLU 75 Cb 0.16 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3f4a h GLU 75 CO -0.03 0.14 0.16 -0.22 -0.73 0.00 0.00 179.01 178.33 3f4a h LYS 76 N 0.21 0.61 -0.99 1.92 3.64 -1.02 -2.43 116.57 118.51 3f4a h LYS 76 Ca 0.09 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3f4a h LYS 76 Cb 0.04 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 3f4a h LYS 76 CO -0.08 0.58 0.64 0.37 -2.27 0.00 0.00 179.45 178.69 3f4a h GLN 77 N 0.52 1.07 0.00 1.90 -0.00 -0.98 -1.96 115.11 115.66 3f4a h GLN 77 Ca 0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 3f4a h GLN 77 Cb 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 27.48 27.43 3f4a h GLN 77 CO -0.01 0.71 -0.06 0.00 0.00 0.00 0.00 178.83 179.47 3f4a h ALA 78 N 1.49 1.21 0.00 3.38 0.00 -0.81 -2.46 119.26 122.07 3f4a h ALA 78 Ca 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3f4a h ALA 78 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3f4a h ALA 78 CO -0.19 0.07 -0.36 -0.25 0.00 0.00 0.00 179.25 178.52 3f4a n ASP 79 N -3.46 0.37 -4.60 0.00 8.00 -0.74 -4.97 116.55 111.15 3f4a n ASP 79 Ca -0.02 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.15 3f4a n ASP 79 Cb 0.19 0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.24 3f4a n ASP 79 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3f4a s GLY 80 N -3.01 2.71 -0.05 0.44 0.00 -0.93 -5.12 107.32 101.37 3f4a s GLY 80 Ca 0.12 -1.27 -0.15 0.00 0.00 0.00 0.00 44.72 43.42 3f4a s GLY 80 CO 0.65 -2.08 0.41 0.50 0.00 0.00 0.00 173.10 172.58 3f4a s ARG 81 N -3.80 4.05 2.76 2.90 1.81 -1.26 -4.94 118.95 120.46 3f4a s ARG 81 Ca 0.20 0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.59 3f4a s ARG 81 Cb 0.05 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.26 3f4a s ARG 81 CO 0.10 0.52 0.00 0.41 -0.68 0.00 0.00 175.30 175.65 3f4a n GLY 82 N 2.33 -0.31 3.84 -3.53 0.00 -1.26 -4.16 105.19 102.10 3f4a n GLY 82 Ca -0.12 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 3f4a n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4a s ALA 83 N -1.37 3.42 -0.15 4.61 0.00 -1.26 -4.96 121.76 122.06 3f4a s ALA 83 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 3f4a s ALA 83 Cb 0.00 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 3f4a s ALA 83 CO 0.00 0.37 0.76 -1.17 0.00 0.00 0.00 175.76 175.72 3f4a s LEU 84 N -2.44 4.21 -0.58 0.00 2.96 -0.00 -4.21 118.68 118.61 3f4a s LEU 84 Ca 0.47 1.12 -0.22 0.00 -0.22 0.00 0.00 54.13 55.27 3f4a s LEU 84 Cb -0.13 -3.13 0.06 0.00 0.50 0.00 0.00 46.19 43.48 3f4a s LEU 84 CO 0.19 -0.30 0.86 0.20 -1.32 0.00 0.00 176.35 175.98 3f4a s ASN 85 N 1.08 6.25 -0.23 3.68 0.01 -0.55 -1.31 114.94 123.87 3f4a s ASN 85 Ca 0.36 -0.77 -0.18 0.00 -0.71 0.00 0.00 52.86 51.56 3f4a s ASN 85 Cb -0.17 -2.39 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 3f4a s ASN 85 CO 0.14 -1.21 0.52 -0.69 -1.51 0.00 0.00 177.10 174.34 3f4a s VAL 86 N 3.60 5.09 -0.32 1.60 1.01 -0.14 -0.54 120.40 130.70 3f4a s VAL 86 Ca 0.23 0.92 0.01 0.00 0.00 0.00 0.00 61.98 63.14 3f4a s VAL 86 Cb -0.16 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.46 3f4a s VAL 86 CO 0.14 0.13 0.01 -0.63 0.00 0.00 0.00 175.10 174.75 3f4a s ILE 87 N 1.98 2.55 0.15 2.22 1.01 -0.16 0.08 121.20 129.02 3f4a s ILE 87 Ca 0.23 -1.87 -0.19 0.00 0.00 0.00 0.00 60.65 58.81 3f4a s ILE 87 Cb -0.15 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 3f4a s ILE 87 CO 0.09 -0.33 0.64 -0.36 0.00 0.00 0.00 174.94 174.98 3f4a s PHE 88 N 1.08 3.72 0.16 3.97 0.08 0.27 -0.26 117.98 127.00 3f4a s PHE 88 Ca 0.01 1.30 -0.18 0.00 0.12 0.00 0.00 56.93 58.18 3f4a s PHE 88 Cb -0.20 -2.53 0.04 0.00 -0.57 0.00 0.00 43.02 39.76 3f4a s PHE 88 CO -0.05 0.47 0.49 -3.38 -0.10 0.00 0.00 175.22 172.64 3f4a s HIS 89 N -1.33 -0.26 0.00 0.36 -3.43 -0.79 -1.02 115.29 108.83 3f4a s HIS 89 Ca 0.36 -0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 3f4a s HIS 89 Cb -0.18 0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.35 3f4a s HIS 89 CO 0.20 -0.81 0.00 0.00 -2.00 0.00 0.00 174.74 172.14 3f4a n LEU 92 N -1.10 0.00 -4.01 0.00 4.77 -1.26 -1.19 117.00 114.21 3f4a n LEU 92 Ca 0.00 0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 3f4a n LEU 92 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3f4a n LEU 92 CO 0.00 -0.05 0.06 -1.20 -1.33 0.00 0.00 177.39 174.87 3f4a n SER 93 N -0.62 -4.29 -0.09 -1.43 7.64 -1.26 -3.28 113.62 110.30 3f4a n SER 93 Ca 0.00 -0.85 -0.12 0.00 1.01 0.00 0.00 58.87 58.91 3f4a n SER 93 Cb 0.24 -3.53 -0.08 0.00 -1.01 0.00 0.00 64.21 59.84 3f4a n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f4a n GLN 94 N -4.59 0.43 0.01 1.43 6.02 -1.26 -4.59 117.38 114.83 3f4a n GLN 94 Ca 0.05 0.10 -0.00 0.00 -0.01 0.00 0.00 57.00 57.14 3f4a n GLN 94 Cb 0.52 -1.35 -0.00 0.00 1.02 0.00 0.00 30.24 30.43 3f4a n GLN 94 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3f4a n GLN 95 N -3.01 0.02 -0.07 -1.09 1.13 -1.26 -4.72 117.38 108.38 3f4a n GLN 95 Ca -0.31 0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.64 3f4a n GLN 95 Cb 0.83 -0.21 -0.05 0.00 0.11 0.00 0.00 30.24 30.91 3f4a n GLN 95 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f4a h ARG 96 N -0.04 0.40 0.28 -1.09 3.08 -1.97 -0.96 114.38 114.08 3f4a h ARG 96 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3f4a h ARG 96 Cb 0.04 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3f4a h ARG 96 CO 0.00 0.63 -0.46 0.78 -1.07 0.00 0.00 179.97 179.84 3f4a h GLY 97 N 0.14 -1.04 0.95 0.04 0.00 -1.88 0.16 103.07 101.44 3f4a h GLY 97 Ca 0.06 0.55 0.03 0.00 0.00 0.00 0.00 47.33 47.96 3f4a h GLY 97 CO 0.02 -0.31 0.65 -2.55 0.00 0.00 0.00 176.54 174.35 3f4a h PRO 98 N -0.81 1.25 -0.85 4.80 0.11 -1.80 -1.82 132.00 132.88 3f4a h PRO 98 Ca -0.02 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3f4a h PRO 98 Cb 0.76 -0.28 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 3f4a h PRO 98 CO -0.17 0.83 0.53 0.77 -0.21 0.00 0.00 178.00 179.74 3f4a h SER 99 N 1.29 1.01 -0.57 -2.05 0.02 -0.71 -2.50 113.55 110.04 3f4a h SER 99 Ca 0.38 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.18 3f4a h SER 99 Cb -0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3f4a h SER 99 CO -0.10 0.77 0.01 0.00 -1.14 0.00 0.00 176.83 176.36 3f4a h ALA 100 N 1.29 0.89 0.00 3.77 0.00 -0.45 0.30 119.26 125.05 3f4a h ALA 100 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f4a h ALA 100 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3f4a h ALA 100 CO -0.06 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3f4a n ALA 101 N -2.48 1.32 0.00 0.00 0.00 -0.70 -1.34 120.51 117.31 3f4a n ALA 101 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3f4a n ALA 101 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3f4a n ALA 101 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3f4a n LEU 103 N 0.68 0.00 -0.09 0.00 7.94 0.09 -1.02 117.00 124.61 3f4a n LEU 103 Ca 0.00 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.80 3f4a n LEU 103 Cb 0.03 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 3f4a n LEU 103 CO 0.00 0.00 0.83 0.25 -1.11 0.00 0.00 177.39 177.36 3f4a h LEU 104 N 0.00 0.42 -0.65 -1.96 5.85 -1.48 -3.11 115.31 114.37 3f4a h LEU 104 Ca 0.00 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.61 3f4a h LEU 104 Cb 0.00 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 3f4a h LEU 104 CO 0.00 0.54 0.15 0.25 -0.34 0.00 0.00 178.44 179.05 3f4a h LEU 105 N 0.27 0.02 -1.88 2.25 5.85 -1.33 -0.64 115.31 119.86 3f4a h LEU 105 Ca 0.09 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3f4a h LEU 105 Cb 0.29 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3f4a h LEU 105 CO 0.00 0.00 -0.12 0.03 -0.34 0.00 0.00 178.44 178.01 3f4a h ARG 106 N 0.28 0.00 0.00 1.25 3.08 -1.81 -2.24 114.38 114.94 3f4a h ARG 106 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3f4a h ARG 106 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3f4a h ARG 106 CO -0.44 0.12 -0.18 0.77 -1.07 0.00 0.00 179.97 179.17 3f4a h SER 107 N 0.00 0.00 -3.36 7.04 0.02 -1.09 -3.46 113.55 112.70 3f4a h SER 107 Ca -0.00 -0.05 -0.56 0.00 -0.84 0.00 0.00 61.79 60.34 3f4a h SER 107 Cb 0.25 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 3f4a h SER 107 CO 0.02 0.03 0.29 -0.76 -1.14 0.00 0.00 176.83 175.27 3f4a s LEU 108 N -4.66 4.30 0.86 5.07 1.43 -0.85 -5.06 118.68 119.78 3f4a s LEU 108 Ca 0.09 1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 3f4a s LEU 108 Cb 0.12 -3.33 0.11 0.00 0.03 0.00 0.00 46.19 43.12 3f4a s LEU 108 CO 0.64 -0.25 1.12 1.51 0.23 0.00 0.00 176.35 179.60 3f4a s ASP 109 N 0.97 3.92 0.15 2.29 1.47 -1.26 -4.71 116.67 119.50 3f4a s ASP 109 Ca 0.44 1.12 -0.18 0.00 1.18 0.00 0.00 52.55 55.11 3f4a s ASP 109 Cb -0.19 -1.76 0.04 0.00 -0.34 0.00 0.00 42.92 40.66 3f4a s ASP 109 CO 0.20 -2.31 1.71 0.74 0.68 0.00 0.00 175.17 176.19 3f4a h THR 110 N -1.33 0.78 -0.94 2.11 2.02 -1.99 0.15 112.91 113.72 3f4a h THR 110 Ca -0.49 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 66.71 3f4a h THR 110 Cb 1.30 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.34 3f4a h THR 110 CO 0.61 0.02 0.60 0.00 0.37 0.00 0.00 175.52 177.12 3f4a h ALA 111 N 1.26 1.27 -0.23 6.16 0.00 -1.99 -1.98 119.26 123.74 3f4a h ALA 111 Ca 0.14 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3f4a h ALA 111 Cb 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3f4a h ALA 111 CO -0.24 0.42 -0.41 0.93 0.00 0.00 0.00 179.25 179.95 3f4a h GLU 112 N 1.13 0.68 -0.46 0.00 5.08 -1.48 -3.10 114.58 116.43 3f4a h GLU 112 Ca 0.39 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 3f4a h GLU 112 Cb 0.09 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3f4a h GLU 112 CO -0.15 1.04 -0.03 1.25 -1.00 0.00 0.00 179.01 180.13 3f4a h LEU 113 N 0.38 0.75 -0.61 1.33 5.85 -0.56 -1.79 115.31 120.67 3f4a h LEU 113 Ca 0.01 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3f4a h LEU 113 Cb 1.01 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3f4a h LEU 113 CO 0.09 0.83 0.00 -1.54 -0.34 0.00 0.00 178.44 177.48 3f4a n SER 114 N -4.21 0.36 -0.12 1.25 3.41 -0.76 -1.32 113.62 112.22 3f4a n SER 114 Ca 0.02 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 3f4a n SER 114 Cb 0.31 -0.69 0.31 0.00 -0.26 0.00 0.00 64.21 63.89 3f4a n SER 114 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f4a n ARG 115 N -1.93 0.42 -4.41 4.33 1.74 -0.67 -4.89 116.66 111.24 3f4a n ARG 115 Ca 0.01 -0.25 -0.21 0.00 -0.77 0.00 0.00 57.85 56.63 3f4a n ARG 115 Cb 0.12 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.96 3f4a n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f4a s ARG 117 N -3.62 2.03 -0.18 0.00 0.52 -0.43 -4.83 118.95 112.44 3f4a s ARG 117 Ca 0.26 -0.46 -0.08 0.00 -0.52 0.00 0.00 55.73 54.93 3f4a s ARG 117 Cb -0.01 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 3f4a s ARG 117 CO 0.11 -0.20 0.08 -0.51 0.02 0.00 0.00 175.30 174.80 3f4a s LEU 118 N 1.41 3.96 0.12 2.53 1.43 -1.26 -0.96 118.68 125.91 3f4a s LEU 118 Ca 0.02 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 3f4a s LEU 118 Cb -0.13 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3f4a s LEU 118 CO -0.07 0.19 -0.16 0.26 0.23 0.00 0.00 176.35 176.80 3f4a s TRP 119 N 0.28 1.52 -0.13 0.29 0.52 0.11 -2.33 118.94 119.20 3f4a s TRP 119 Ca 0.05 -0.50 -0.00 0.00 0.02 0.00 0.00 56.10 55.66 3f4a s TRP 119 Cb -0.12 -0.80 -0.02 0.00 -1.15 0.00 0.00 33.47 31.38 3f4a s TRP 119 CO -0.00 0.18 -0.12 0.08 0.02 0.00 0.00 176.95 177.11 3f4a s VAL 120 N -1.86 3.13 -0.31 4.03 1.01 -0.18 -0.56 120.40 125.66 3f4a s VAL 120 Ca 0.09 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3f4a s VAL 120 Cb -0.06 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 3f4a s VAL 120 CO 0.04 0.52 1.38 -0.22 0.00 0.00 0.00 175.10 176.82 3f4a s LEU 121 N 0.35 3.82 0.12 3.92 2.96 -0.19 -0.73 118.68 128.94 3f4a s LEU 121 Ca -0.10 1.21 -0.31 0.00 -0.22 0.00 0.00 54.13 54.70 3f4a s LEU 121 Cb -0.16 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 3f4a s LEU 121 CO 0.05 -1.18 1.66 -0.60 -1.32 0.00 0.00 176.35 174.96 3f4a s ARG 122 N 4.41 4.19 0.00 1.98 3.52 0.72 -1.83 118.95 131.94 3f4a s ARG 122 Ca 0.60 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.59 3f4a s ARG 122 Cb -0.17 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 3f4a s ARG 122 CO 0.26 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.45 3f4a n GLY 123 N 3.95 1.81 7.00 8.12 0.00 -1.24 -4.44 105.19 120.40 3f4a n GLY 123 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3f4a n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f4a n GLY 124 N -2.00 -0.18 0.23 -0.02 0.00 -0.76 -2.64 105.19 99.83 3f4a n GLY 124 Ca 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.15 3f4a n GLY 124 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3f4a h PHE 125 N 0.00 0.00 -0.42 1.61 3.57 -1.49 -2.44 116.94 117.77 3f4a h PHE 125 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3f4a h PHE 125 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3f4a h PHE 125 CO 0.00 0.21 0.20 1.03 -2.23 0.00 0.00 178.31 177.52 3f4a h SER 126 N 0.00 0.27 0.15 0.41 0.87 -1.81 -0.88 113.55 112.56 3f4a h SER 126 Ca -0.00 0.03 -0.18 0.00 -1.23 0.00 0.00 61.79 60.41 3f4a h SER 126 Cb 0.58 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3f4a h SER 126 CO 0.03 0.20 -0.66 -0.09 -0.53 0.00 0.00 176.83 175.78 3f4a h ARG 127 N 0.40 0.48 -0.03 2.24 2.43 -1.24 -3.12 114.38 115.54 3f4a h ARG 127 Ca 0.19 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3f4a h ARG 127 Cb 0.11 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3f4a h ARG 127 CO -0.15 0.97 0.02 2.35 -1.51 0.00 0.00 179.97 181.66 3f4a h TRP 128 N 0.35 0.04 -0.10 2.20 2.91 -1.02 -2.92 115.95 117.40 3f4a h TRP 128 Ca -0.02 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 3f4a h TRP 128 Cb 1.22 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.84 3f4a h TRP 128 CO 0.05 0.05 -0.21 -0.56 -1.03 0.00 0.00 178.44 176.74 3f4a h GLN 129 N 0.03 0.17 -0.30 2.65 -0.00 -1.22 0.25 115.11 116.69 3f4a h GLN 129 Ca 0.01 -0.05 0.09 0.00 -0.00 0.00 0.00 58.65 58.70 3f4a h GLN 129 Cb 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.46 3f4a h GLN 129 CO -0.00 0.38 0.22 0.66 -0.00 0.00 0.00 178.83 180.08 3f4a h SER 130 N 0.16 0.00 0.00 0.06 4.64 -1.45 -0.40 113.55 116.56 3f4a h SER 130 Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3f4a h SER 130 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3f4a h SER 130 CO 0.03 0.00 -1.24 0.55 -0.87 0.00 0.00 176.83 175.30 3f4a n VAL 131 N -4.44 0.09 -0.10 0.95 3.14 -1.09 -4.84 118.33 112.04 3f4a n VAL 131 Ca 0.04 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 3f4a n VAL 131 Cb 0.38 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 3f4a n VAL 131 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3f4a n TYR 132 N -1.82 0.00 -0.27 1.45 4.01 0.06 -4.80 117.16 115.79 3f4a n TYR 132 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.79 3f4a n TYR 132 Cb 0.28 0.00 0.19 0.00 -0.31 0.00 0.00 39.34 39.51 3f4a n TYR 132 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3f4a h GLY 133 N 0.00 0.98 2.00 2.72 0.00 -1.14 -2.57 103.07 105.07 3f4a h GLY 133 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3f4a h GLY 133 CO 0.00 -0.32 0.00 1.22 0.00 0.00 0.00 176.54 177.44 3f4a n ASP 134 N -5.33 0.57 -4.41 0.19 8.00 -1.26 -4.59 116.55 109.71 3f4a n ASP 134 Ca 0.16 0.60 -0.44 0.00 0.71 0.00 0.00 54.79 55.82 3f4a n ASP 134 Cb 0.54 -0.74 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 3f4a n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f4a s ASP 135 N -4.06 6.22 0.24 -2.24 2.15 -0.97 -4.88 116.67 113.12 3f4a s ASP 135 Ca 0.08 -1.30 0.19 0.00 0.43 0.00 0.00 52.55 51.95 3f4a s ASP 135 Cb 0.11 -2.36 0.93 0.00 -0.30 0.00 0.00 42.92 41.30 3f4a s ASP 135 CO 0.46 -1.25 1.59 -1.84 -0.17 0.00 0.00 175.17 173.96 3f4a n GLU 136 N 6.93 0.13 0.23 4.34 0.00 -1.26 -0.74 120.64 130.29 3f4a n GLU 136 Ca -0.04 0.51 0.14 0.00 0.00 0.00 0.00 57.16 57.78 3f4a n GLU 136 Cb 0.44 -1.84 0.43 0.00 0.00 0.00 0.00 31.44 30.47 3f4a n GLU 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3f4a h SER 137 N 0.00 0.00 0.00 -1.84 4.64 -1.95 -3.35 113.55 111.05 3f4a h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f4a h SER 137 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3f4a h SER 137 CO 0.00 0.00 -0.24 1.33 -0.87 0.00 0.00 176.83 177.05 3f4a n VAL 138 N -3.00 0.00 -4.21 0.95 0.24 -0.35 -4.89 118.33 107.07 3f4a n VAL 138 Ca 0.02 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.78 3f4a n VAL 138 Cb 0.41 0.82 -0.17 0.00 -1.47 0.00 0.00 33.84 33.43 3f4a n VAL 138 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3f4a s THR 139 N -1.03 1.24 -0.13 3.34 2.01 0.09 -0.74 115.64 120.43 3f4a s THR 139 Ca 0.00 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 3f4a s THR 139 Cb 0.00 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 3f4a s THR 139 CO 0.00 0.40 0.09 0.00 -0.69 0.00 0.00 174.62 174.42 3f4a s ALA 140 N 1.26 3.64 -1.10 7.40 0.00 0.44 -4.09 121.76 129.31 3f4a s ALA 140 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3f4a s ALA 140 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.13 3f4a s ALA 140 CO -0.04 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.64 3f4a n GLY 141 N 2.37 0.81 3.71 0.00 0.00 -1.26 -1.07 105.19 109.75 3f4a n GLY 141 Ca -0.19 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3f4a n GLY 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f4a s TYR 142 N -2.46 2.80 -0.58 1.61 5.04 -1.26 -2.19 117.35 120.31 3f4a s TYR 142 Ca 0.00 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 55.01 3f4a s TYR 142 Cb 0.00 -4.06 0.15 0.00 0.35 0.00 0.00 41.96 38.40 3f4a s TYR 142 CO 0.00 -4.07 0.36 -0.51 -1.34 0.00 0.00 175.55 169.99 3f4a s LEU 143 N 1.53 4.76 0.53 6.97 1.43 -0.45 -4.88 118.68 128.56 3f4a s LEU 143 Ca 0.74 -3.00 0.19 0.00 -1.03 0.00 0.00 54.13 51.03 3f4a s LEU 143 Cb -0.46 -1.74 1.33 0.00 0.03 0.00 0.00 46.19 45.34 3f4a s LEU 143 CO 0.32 -0.28 2.12 1.55 0.23 0.00 0.00 176.35 180.29 3f4a h PRO 144 N 6.67 0.00 0.00 1.29 0.13 -1.94 -0.83 132.00 137.33 3f4a h PRO 144 Ca -0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 3f4a h PRO 144 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3f4a h PRO 144 CO 0.70 0.00 -0.17 -0.44 -0.23 0.00 0.00 178.00 177.87 3f4a h ASP 145 N 0.00 0.00 0.36 1.44 3.32 -1.97 -1.14 116.42 118.43 3f4a h ASP 145 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3f4a h ASP 145 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3f4a h ASP 145 CO -0.00 0.17 0.00 0.18 -1.72 0.00 0.00 179.24 177.87 3f4a n LEU 146 N -3.84 0.10 -0.60 1.55 4.32 -0.32 -3.03 117.00 115.19 3f4a n LEU 146 Ca -0.02 0.53 0.08 0.00 -0.02 0.00 0.00 56.01 56.58 3f4a n LEU 146 Cb 0.27 -0.52 0.06 0.00 -1.62 0.00 0.00 43.42 41.60 3f4a n LEU 146 CO 0.33 -0.39 0.48 0.79 -1.22 0.00 0.00 177.39 177.38 3f4a n TRP 147 N -1.62 0.00 0.12 -1.77 7.02 -0.43 -5.12 117.44 115.64 3f4a n TRP 147 Ca 0.02 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.51 3f4a n TRP 147 Cb 0.12 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.07 3f4a n TRP 147 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54