#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f2k s GLU 5 N 0.00 3.08 0.20 1.57 4.04 -1.26 -5.05 118.70 121.28 3f2k s GLU 5 Ca 0.00 -0.91 -0.30 0.00 0.04 0.00 0.00 54.97 53.80 3f2k s GLU 5 Cb 0.00 -3.66 -0.08 0.00 0.02 0.00 0.00 34.13 30.40 3f2k s GLU 5 CO 0.00 -0.57 1.24 -0.51 -1.84 0.00 0.00 175.26 173.58 3f2k s LEU 6 N 1.59 4.44 0.85 1.83 1.43 -1.26 -5.03 118.68 122.53 3f2k s LEU 6 Ca 0.03 2.32 -0.13 0.00 -1.03 0.00 0.00 54.13 55.32 3f2k s LEU 6 Cb -0.18 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.55 3f2k s LEU 6 CO 0.07 -0.43 1.21 0.42 0.23 0.00 0.00 176.35 177.85 3f2k s THR 7 N -0.07 2.03 0.24 5.49 -4.23 -1.26 -4.88 115.64 112.95 3f2k s THR 7 Ca 0.54 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 3f2k s THR 7 Cb -0.34 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.62 3f2k s THR 7 CO 0.38 0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.87 3f2k h GLU 8 N -1.22 0.91 -0.39 3.99 4.39 -2.00 -1.97 114.58 118.29 3f2k h GLU 8 Ca -0.45 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 58.92 3f2k h GLU 8 Cb 1.29 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 3f2k h GLU 8 CO 0.55 0.87 -0.14 -0.91 -1.16 0.00 0.00 179.01 178.22 3f2k h ASN 9 N 0.85 0.71 -0.57 1.42 2.35 -1.99 -0.85 115.58 117.50 3f2k h ASN 9 Ca 0.17 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3f2k h ASN 9 Cb 0.44 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3f2k h ASN 9 CO 0.02 0.86 0.04 1.56 -1.65 0.00 0.00 177.43 178.25 3f2k h GLN 10 N 0.64 0.98 -0.58 0.81 4.20 -1.90 -1.06 115.11 118.20 3f2k h GLN 10 Ca 0.11 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 3f2k h GLN 10 Cb 0.60 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3f2k h GLN 10 CO 0.04 0.96 0.11 0.87 -0.67 0.00 0.00 178.83 180.14 3f2k h LYS 11 N 0.87 0.94 -0.27 1.46 1.57 -1.21 -1.75 116.57 118.18 3f2k h LYS 11 Ca 0.17 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3f2k h LYS 11 Cb 0.50 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3f2k h LYS 11 CO 0.02 0.89 0.06 -0.91 -0.57 0.00 0.00 179.45 178.95 3f2k h ASN 12 N 0.84 0.03 -0.58 0.86 2.35 -1.03 0.83 115.58 118.89 3f2k h ASN 12 Ca 0.18 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3f2k h ASN 12 Cb 0.40 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 3f2k h ASN 12 CO 0.01 0.05 0.33 -0.09 -1.65 0.00 0.00 177.43 176.08 3f2k h ARG 13 N 0.16 0.63 -0.70 0.81 9.65 -1.12 0.34 114.38 124.15 3f2k h ARG 13 Ca 0.12 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.98 3f2k h ARG 13 Cb 0.12 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3f2k h ARG 13 CO -0.16 0.42 0.45 0.00 2.80 0.00 0.00 179.97 183.48 3f2k h ARG 14 N 0.65 0.88 -0.21 0.20 3.08 -1.07 -0.88 114.38 117.03 3f2k h ARG 14 Ca 0.24 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 3f2k h ARG 14 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3f2k h ARG 14 CO -0.13 0.59 -0.08 0.35 -1.07 0.00 0.00 179.97 179.63 3f2k h PHE 15 N 0.91 0.48 0.29 3.04 3.57 -0.42 -0.61 116.94 124.21 3f2k h PHE 15 Ca 0.27 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3f2k h PHE 15 Cb -0.05 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 3f2k h PHE 15 CO -0.03 0.70 -0.16 1.49 -2.23 0.00 0.00 178.31 178.07 3f2k h GLU 16 N 0.13 -0.41 -0.49 1.11 4.81 -0.78 -0.08 114.58 118.86 3f2k h GLU 16 Ca 0.05 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3f2k h GLU 16 Cb 0.56 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3f2k h GLU 16 CO 0.03 -0.28 0.22 0.28 -0.73 0.00 0.00 179.01 178.53 3f2k h VAL 17 N -0.43 1.20 0.19 0.32 2.07 -1.15 -1.42 116.25 117.04 3f2k h VAL 17 Ca -0.03 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3f2k h VAL 17 Cb 0.35 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3f2k h VAL 17 CO 0.04 0.23 -0.19 0.28 0.02 0.00 0.00 177.57 177.95 3f2k h SER 18 N 0.65 -0.51 -0.72 0.57 0.02 -0.94 -0.79 113.55 111.84 3f2k h SER 18 Ca 0.17 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3f2k h SER 18 Cb 0.15 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 3f2k h SER 18 CO -0.02 -0.29 0.47 -1.28 -1.14 0.00 0.00 176.83 174.57 3f2k h SER 19 N -0.41 0.79 -0.52 3.07 0.87 -0.90 -1.48 113.55 114.97 3f2k h SER 19 Ca 0.00 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 3f2k h SER 19 Cb 0.39 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3f2k h SER 19 CO -0.05 0.57 -0.04 0.28 -0.53 0.00 0.00 176.83 177.06 3f2k h SER 20 N 0.94 0.96 -0.00 6.23 0.02 -1.10 -2.21 113.55 118.40 3f2k h SER 20 Ca 0.27 -0.28 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 3f2k h SER 20 Cb -0.07 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.21 3f2k h SER 20 CO -0.07 1.04 -0.71 -0.07 -1.14 0.00 0.00 176.83 175.88 3f2k h LEU 21 N 0.89 0.75 -0.08 5.07 3.38 -0.87 0.13 115.31 124.59 3f2k h LEU 21 Ca 0.15 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3f2k h LEU 21 Cb 0.58 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3f2k h LEU 21 CO 0.03 1.24 0.05 0.40 0.09 0.00 0.00 178.44 180.26 3f2k h ILE 22 N 0.45 1.04 -0.63 1.22 2.04 -1.18 -1.04 117.51 119.42 3f2k h ILE 22 Ca -0.03 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3f2k h ILE 22 Cb 1.31 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3f2k h ILE 22 CO 0.14 0.04 0.29 -0.07 0.00 0.00 0.00 178.15 178.54 3f2k h LEU 23 N 0.09 0.85 -0.20 1.44 3.38 -1.27 -1.51 115.31 118.08 3f2k h LEU 23 Ca 0.03 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.90 3f2k h LEU 23 Cb 0.01 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3f2k h LEU 23 CO -0.01 0.76 -0.09 -0.09 0.09 0.00 0.00 178.44 179.10 3f2k h ARG 24 N 0.88 -0.06 -0.32 1.13 2.43 -0.62 0.54 114.38 118.36 3f2k h ARG 24 Ca 0.22 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 3f2k h ARG 24 Cb 0.15 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3f2k h ARG 24 CO -0.02 -0.04 -0.05 -0.97 -1.51 0.00 0.00 179.97 177.38 3f2k h ASN 25 N -0.06 0.49 -0.37 -3.80 -1.24 -1.03 0.19 115.58 109.76 3f2k h ASN 25 Ca 0.11 -0.11 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 3f2k h ASN 25 Cb 0.22 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 3f2k h ASN 25 CO -0.24 0.60 0.03 -0.74 -1.29 0.00 0.00 177.43 175.78 3f2k h HIS 26 N 0.49 0.68 -0.32 0.67 2.76 -0.67 -1.82 115.15 116.95 3f2k h HIS 26 Ca 0.10 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3f2k h HIS 26 Cb 0.39 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3f2k h HIS 26 CO 0.01 0.71 0.11 -0.91 -1.30 0.00 0.00 177.93 176.56 3f2k h ASN 27 N 0.46 0.46 -1.73 3.26 2.35 -0.56 -3.41 115.58 116.41 3f2k h ASN 27 Ca 0.11 -0.19 -0.27 0.00 -0.55 0.00 0.00 56.30 55.40 3f2k h ASN 27 Cb 0.42 -0.12 -0.28 0.00 0.05 0.00 0.00 38.32 38.39 3f2k h ASN 27 CO 0.01 0.52 -0.61 -1.61 -1.65 0.00 0.00 177.43 174.10 3f2k s GLU 28 N -5.46 0.61 0.18 0.81 2.02 0.64 -5.10 118.70 112.39 3f2k s GLU 28 Ca -0.13 -0.50 -0.33 0.00 0.02 0.00 0.00 54.97 54.03 3f2k s GLU 28 Cb 0.09 -0.47 -0.14 0.00 0.10 0.00 0.00 34.13 33.70 3f2k s GLU 28 CO 0.74 -1.15 1.48 -2.30 0.02 0.00 0.00 175.26 174.05 3f2k n PRO 29 N 4.57 1.95 0.00 0.39 -0.02 -0.69 -4.36 135.00 136.84 3f2k n PRO 29 Ca 0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3f2k n PRO 29 Cb 0.48 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3f2k n PRO 29 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3f2k n PHE 30 N 2.76 0.00 -0.34 6.00 1.16 -1.26 -4.88 117.46 120.89 3f2k n PHE 30 Ca 0.15 -0.03 0.13 0.00 -1.87 0.00 0.00 57.45 55.84 3f2k n PHE 30 Cb 0.28 -0.00 0.34 0.00 -1.61 0.00 0.00 39.48 38.49 3f2k n PHE 30 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3f2k h LEU 31 N 0.00 0.76 -2.72 5.98 3.38 -1.95 -0.28 115.31 120.47 3f2k h LEU 31 Ca 0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3f2k h LEU 31 Cb 0.36 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3f2k h LEU 31 CO 0.00 0.28 -0.01 -2.24 0.09 0.00 0.00 178.44 176.56 3f2k h ASP 32 N 0.74 0.00 0.08 -0.43 2.03 -1.99 -2.01 116.42 114.84 3f2k h ASP 32 Ca 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 3f2k h ASP 32 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 3f2k h ASP 32 CO -0.35 0.01 -0.33 0.54 -1.03 0.00 0.00 179.24 178.08 3f2k n ARG 33 N -3.28 1.17 -2.36 4.15 1.74 -0.12 -4.81 116.66 113.14 3f2k n ARG 33 Ca -0.03 -0.86 -0.42 0.00 -0.77 0.00 0.00 57.85 55.78 3f2k n ARG 33 Cb 0.10 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 3f2k n ARG 33 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3f2k s ILE 34 N -2.42 3.77 -0.10 0.55 1.01 -0.76 -1.65 121.20 121.60 3f2k s ILE 34 Ca 0.23 1.33 -0.00 0.00 0.00 0.00 0.00 60.65 62.20 3f2k s ILE 34 Cb 0.19 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3f2k s ILE 34 CO 0.52 0.13 -0.07 -0.69 0.00 0.00 0.00 174.94 174.84 3f2k s VAL 35 N 0.75 3.70 0.06 2.92 1.01 -0.04 -4.31 120.40 124.49 3f2k s VAL 35 Ca 0.58 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3f2k s VAL 35 Cb -0.32 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3f2k s VAL 35 CO 0.31 0.57 -0.05 0.28 0.00 0.00 0.00 175.10 176.21 3f2k s THR 36 N -0.42 0.40 0.12 3.92 -1.32 0.17 -0.76 115.64 117.75 3f2k s THR 36 Ca 0.06 -1.68 -0.25 0.00 -1.21 0.00 0.00 61.69 58.61 3f2k s THR 36 Cb -0.12 -1.35 0.08 0.00 -1.51 0.00 0.00 72.50 69.60 3f2k s THR 36 CO 0.02 -0.84 0.72 0.00 -2.21 0.00 0.00 174.62 172.31 3f2k s ASP 38 N -2.69 -0.44 -0.03 0.00 2.15 -1.18 -4.52 116.67 109.96 3f2k s ASP 38 Ca 0.04 -0.22 -0.02 0.00 0.43 0.00 0.00 52.55 52.78 3f2k s ASP 38 Cb -0.01 0.62 -0.04 0.00 -0.30 0.00 0.00 42.92 43.19 3f2k s ASP 38 CO -0.09 -1.06 0.09 -1.61 -0.17 0.00 0.00 175.17 172.32 3f2k s GLU 39 N -3.81 3.13 -0.06 4.34 8.01 -1.26 -2.70 118.70 126.35 3f2k s GLU 39 Ca 0.04 -0.42 -0.05 0.00 0.01 0.00 0.00 54.97 54.56 3f2k s GLU 39 Cb -0.02 -2.91 0.02 0.00 -4.31 0.00 0.00 34.13 26.91 3f2k s GLU 39 CO -0.07 0.67 0.15 0.21 0.01 0.00 0.00 175.26 176.24 3f2k s LYS 40 N -1.59 0.16 -0.21 1.61 2.20 0.04 -5.00 119.74 116.95 3f2k s LYS 40 Ca 0.21 0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.80 3f2k s LYS 40 Cb -0.12 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3f2k s LYS 40 CO 0.12 -0.07 1.15 -1.58 -0.36 0.00 0.00 175.35 174.61 3f2k s TRP 41 N 0.43 3.09 -0.36 4.03 0.52 -1.26 -0.97 118.94 124.42 3f2k s TRP 41 Ca -0.03 1.23 -0.15 0.00 0.02 0.00 0.00 56.10 57.17 3f2k s TRP 41 Cb -0.04 -3.43 -0.01 0.00 -1.15 0.00 0.00 33.47 28.84 3f2k s TRP 41 CO -0.02 -1.07 0.33 0.42 0.02 0.00 0.00 176.95 176.63 3f2k s ILE 42 N 3.42 5.20 0.50 2.03 1.01 0.66 -4.92 121.20 129.09 3f2k s ILE 42 Ca 0.49 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.81 3f2k s ILE 42 Cb -0.18 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 3f2k s ILE 42 CO 0.11 -0.13 1.12 -0.76 0.00 0.00 0.00 174.94 175.29 3f2k s LEU 43 N 1.93 3.88 0.14 2.97 1.43 -1.26 -1.05 118.68 126.71 3f2k s LEU 43 Ca 0.10 2.18 -0.04 0.00 -1.03 0.00 0.00 54.13 55.34 3f2k s LEU 43 Cb -0.17 -4.44 -0.06 0.00 0.03 0.00 0.00 46.19 41.55 3f2k s LEU 43 CO 0.11 -1.01 1.33 1.88 0.23 0.00 0.00 176.35 178.89 3f2k h TYR 44 N 1.61 0.62 -3.66 0.29 -1.99 -1.62 -3.42 116.97 108.79 3f2k h TYR 44 Ca -0.50 -0.32 -0.70 0.00 2.00 0.00 0.00 58.73 59.22 3f2k h TYR 44 Cb 1.25 -0.08 -0.30 0.00 2.00 0.00 0.00 36.73 39.60 3f2k h TYR 44 CO 0.53 1.12 -0.61 0.34 -0.00 0.00 0.00 178.16 179.54 3f2k s ASP 45 N -7.06 5.25 -0.30 3.88 3.68 -1.26 -0.14 116.67 120.73 3f2k s ASP 45 Ca -0.06 -1.26 0.11 0.00 2.13 0.00 0.00 52.55 53.46 3f2k s ASP 45 Cb 0.09 -1.84 0.64 0.00 -1.45 0.00 0.00 42.92 40.36 3f2k s ASP 45 CO 0.86 -0.35 1.66 0.59 0.13 0.00 0.00 175.17 178.07 3f2k n ASN 46 N 4.77 4.03 -0.02 -0.34 3.02 -0.01 -5.03 115.26 121.68 3f2k n ASN 46 Ca -0.12 -3.34 -0.17 0.00 -0.03 0.00 0.00 54.58 50.92 3f2k n ASN 46 Cb 0.44 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 3f2k n ASN 46 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3f2k h ARG 47 N 1.97 0.76 0.00 3.52 -0.00 -1.79 -3.40 114.38 115.44 3f2k h ARG 47 Ca 0.23 -0.63 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 3f2k h ARG 47 Cb 2.05 0.13 0.00 0.00 0.00 0.00 0.00 29.97 32.15 3f2k h ARG 47 CO 0.59 1.23 0.00 1.58 0.00 0.00 0.00 179.97 183.37 3f2k n HIS 69 N -3.98 -0.03 -1.65 3.04 -0.00 -1.26 -5.08 115.22 106.27 3f2k n HIS 69 Ca -0.08 0.02 -0.46 0.00 -0.00 0.00 0.00 57.72 57.20 3f2k n HIS 69 Cb 0.73 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 30.66 3f2k n HIS 69 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3f2k n PRO 70 N 0.07 1.81 -2.41 1.57 -0.02 -1.26 -4.93 135.00 129.83 3f2k n PRO 70 Ca 0.00 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 3f2k n PRO 70 Cb 0.00 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 3f2k n PRO 70 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3f2k s LYS 71 N -0.34 3.65 0.14 -0.52 0.00 -1.26 -4.98 119.74 116.44 3f2k s LYS 71 Ca 0.70 1.35 -0.23 0.00 0.00 0.00 0.00 55.97 57.79 3f2k s LYS 71 Cb -0.70 -2.07 0.07 0.00 0.00 0.00 0.00 37.83 35.12 3f2k s LYS 71 CO 0.50 -0.55 0.58 -1.59 0.00 0.00 0.00 175.35 174.28 3f2k s LYS 72 N -3.42 1.24 0.00 1.78 -2.85 -1.26 -1.56 119.74 113.67 3f2k s LYS 72 Ca 0.67 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 3f2k s LYS 72 Cb -0.17 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3f2k s LYS 72 CO 0.24 -0.52 0.00 1.55 0.10 0.00 0.00 175.35 176.72 3f2k n VAL 73 N -0.26 0.00 -3.62 1.79 3.14 -0.21 -4.95 118.33 114.22 3f2k n VAL 73 Ca -0.17 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.16 3f2k n VAL 73 Cb 0.64 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.38 3f2k n VAL 73 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3f2k s VAL 75 N 1.41 0.00 -0.07 1.55 0.11 -0.14 -0.24 120.40 123.01 3f2k s VAL 75 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3f2k s VAL 75 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3f2k s VAL 75 CO 0.00 0.00 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.75 3f2k s THR 76 N -1.00 1.22 -0.04 5.04 2.01 -0.72 -0.78 115.64 121.37 3f2k s THR 76 Ca 0.05 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.59 3f2k s THR 76 Cb -0.01 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 3f2k s THR 76 CO -0.05 0.37 -0.22 -0.51 -0.69 0.00 0.00 174.62 173.53 3f2k s ILE 77 N 0.66 1.79 -0.05 1.82 2.07 -1.10 -1.24 121.20 125.16 3f2k s ILE 77 Ca -0.14 -0.94 0.05 0.00 -1.41 0.00 0.00 60.65 58.21 3f2k s ILE 77 Cb -0.16 -1.51 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 3f2k s ILE 77 CO 0.04 0.51 -0.21 0.26 -1.91 0.00 0.00 174.94 173.62 3f2k s TRP 78 N -0.27 2.04 0.11 3.50 0.52 0.10 -3.08 118.94 121.86 3f2k s TRP 78 Ca 0.02 -0.57 -0.25 0.00 0.02 0.00 0.00 56.10 55.31 3f2k s TRP 78 Cb -0.11 -1.35 0.08 0.00 -1.15 0.00 0.00 33.47 30.94 3f2k s TRP 78 CO 0.01 -0.17 0.79 1.67 0.02 0.00 0.00 176.95 179.28 3f2k s TRP 79 N -0.12 -0.35 0.33 -1.98 1.48 -0.45 -1.03 118.94 116.82 3f2k s TRP 79 Ca -0.02 0.12 0.03 0.00 -1.06 0.00 0.00 56.10 55.17 3f2k s TRP 79 Cb -0.12 0.58 -0.01 0.00 -1.16 0.00 0.00 33.47 32.76 3f2k s TRP 79 CO 0.02 -0.77 0.12 -1.13 -4.06 0.00 0.00 176.95 171.14 3f2k n SER 80 N -0.35 1.07 0.30 -2.66 3.41 -0.16 -0.66 113.62 114.57 3f2k n SER 80 Ca -0.10 -2.76 0.16 0.00 -0.26 0.00 0.00 58.87 55.91 3f2k n SER 80 Cb 0.62 0.87 0.95 0.00 -0.26 0.00 0.00 64.21 66.39 3f2k n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f2k h ALA 81 N 1.57 1.43 0.00 7.33 0.00 -1.82 -0.46 119.26 127.31 3f2k h ALA 81 Ca -0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3f2k h ALA 81 Cb 0.98 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3f2k h ALA 81 CO 0.40 0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.54 3f2k h ALA 82 N 1.99 0.94 0.00 0.00 0.00 -1.91 -3.11 119.26 117.16 3f2k h ALA 82 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3f2k h ALA 82 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3f2k h ALA 82 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3f2k n GLY 83 N 0.90 0.08 3.73 0.00 0.00 -0.18 -5.01 105.19 104.71 3f2k n GLY 83 Ca 0.03 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3f2k n GLY 83 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f2k s LEU 84 N 0.00 4.39 -0.17 0.99 2.96 -1.26 -0.99 118.68 124.61 3f2k s LEU 84 Ca 0.00 2.47 -0.14 0.00 -0.22 0.00 0.00 54.13 56.25 3f2k s LEU 84 Cb 0.00 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 43.02 3f2k s LEU 84 CO 0.00 -0.62 -0.29 -0.38 -1.32 0.00 0.00 176.35 173.74 3f2k n ILE 85 N 2.94 1.38 -3.61 6.68 5.41 -0.20 -4.93 119.36 127.03 3f2k n ILE 85 Ca 0.08 0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.69 3f2k n ILE 85 Cb 0.42 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.20 3f2k n ILE 85 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 3f2k s HIS 86 N -2.63 -0.70 0.08 1.39 5.04 -0.86 -4.79 115.29 112.81 3f2k s HIS 86 Ca -0.27 1.56 -0.07 0.00 -1.54 0.00 0.00 55.06 54.74 3f2k s HIS 86 Cb 0.06 0.30 -0.01 0.00 0.04 0.00 0.00 32.58 32.97 3f2k s HIS 86 CO 0.37 -0.44 0.14 1.52 -2.34 0.00 0.00 174.74 173.98 3f2k s TYR 87 N -0.20 0.24 0.03 3.88 -0.85 -1.26 0.02 117.35 119.22 3f2k s TYR 87 Ca -0.04 -0.70 -0.23 0.00 -0.52 0.00 0.00 57.07 55.57 3f2k s TYR 87 Cb -0.03 -0.14 0.05 0.00 0.38 0.00 0.00 41.96 42.22 3f2k s TYR 87 CO 0.04 -0.51 0.53 -1.54 -1.52 0.00 0.00 175.55 172.56 3f2k s SER 88 N -2.88 -0.46 -0.04 -0.18 1.04 -0.38 -4.99 113.70 105.81 3f2k s SER 88 Ca 0.06 0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.78 3f2k s SER 88 Cb 0.06 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 3f2k s SER 88 CO -0.11 -0.70 -0.18 -0.36 0.98 0.00 0.00 173.24 172.87 3f2k s PHE 89 N -2.24 2.58 -0.14 5.02 0.08 -1.26 -1.75 117.98 120.26 3f2k s PHE 89 Ca -0.06 -0.29 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 3f2k s PHE 89 Cb -0.01 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 3f2k s PHE 89 CO -0.00 0.08 1.31 -1.17 -0.10 0.00 0.00 175.22 175.34 3f2k s LEU 90 N -0.63 4.21 0.19 -0.37 2.96 -1.26 -5.01 118.68 118.77 3f2k s LEU 90 Ca 0.09 1.78 0.04 0.00 -0.22 0.00 0.00 54.13 55.82 3f2k s LEU 90 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3f2k s LEU 90 CO 0.00 -0.77 0.27 0.20 -1.32 0.00 0.00 176.35 174.74 3f2k s ASN 91 N 2.12 6.12 0.28 3.68 0.02 -1.26 -5.01 114.94 120.89 3f2k s ASN 91 Ca 0.57 0.05 -0.28 0.00 -1.02 0.00 0.00 52.86 52.18 3f2k s ASN 91 Cb -0.23 -1.77 -0.14 0.00 0.02 0.00 0.00 41.25 39.13 3f2k s ASN 91 CO 0.17 0.01 1.00 -2.65 0.02 0.00 0.00 177.10 175.65 3f2k n PRO 92 N -0.84 1.30 0.00 -0.60 -0.01 -1.26 -1.87 135.00 131.71 3f2k n PRO 92 Ca -0.08 0.45 0.00 0.00 -0.01 0.00 0.00 63.50 63.87 3f2k n PRO 92 Cb 0.55 -1.82 0.00 0.00 -0.01 0.00 0.00 33.50 32.23 3f2k n PRO 92 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3f2k n GLY 93 N 1.29 2.93 3.78 -1.23 0.00 -1.26 -5.04 105.19 105.66 3f2k n GLY 93 Ca 0.10 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3f2k n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f2k s GLU 94 N 0.00 4.39 0.12 1.61 2.02 -0.78 -5.08 118.70 120.98 3f2k s GLU 94 Ca 0.00 1.47 0.10 0.00 0.02 0.00 0.00 54.97 56.56 3f2k s GLU 94 Cb 0.00 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 3f2k s GLU 94 CO 0.00 0.07 -0.26 0.95 0.02 0.00 0.00 175.26 176.04 3f2k s THR 95 N -1.59 2.17 -1.25 3.63 -4.23 -1.26 -4.86 115.64 108.26 3f2k s THR 95 Ca 0.53 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 59.21 3f2k s THR 95 Cb -0.22 -1.92 0.15 0.00 1.34 0.00 0.00 72.50 71.85 3f2k s THR 95 CO 0.27 0.10 1.58 -0.38 -0.54 0.00 0.00 174.62 175.66 3f2k n ILE 96 N 1.03 4.18 -4.54 2.99 5.41 -1.26 -4.69 119.36 122.48 3f2k n ILE 96 Ca -0.18 -4.50 -0.26 0.00 1.00 0.00 0.00 62.75 58.81 3f2k n ILE 96 Cb 0.53 -2.43 -0.11 0.00 -0.71 0.00 0.00 39.64 36.92 3f2k n ILE 96 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3f2k s THR 97 N 2.03 2.13 0.33 1.39 -4.23 -1.26 -4.87 115.64 111.16 3f2k s THR 97 Ca 0.45 -2.17 0.21 0.00 -1.18 0.00 0.00 61.69 59.01 3f2k s THR 97 Cb 0.01 -2.68 0.21 0.00 1.34 0.00 0.00 72.50 71.38 3f2k s THR 97 CO 0.02 -0.18 1.92 0.77 -0.54 0.00 0.00 174.62 176.60 3f2k h SER 98 N 2.02 0.00 -0.25 3.99 4.64 -1.86 -0.55 113.55 121.54 3f2k h SER 98 Ca -0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 3f2k h SER 98 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3f2k h SER 98 CO 0.71 0.24 0.06 -0.33 -0.87 0.00 0.00 176.83 176.64 3f2k h GLU 99 N 0.00 0.40 -0.25 4.77 3.07 -1.91 0.27 114.58 120.93 3f2k h GLU 99 Ca -0.00 -0.10 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 3f2k h GLU 99 Cb 0.56 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3f2k h GLU 99 CO 0.03 0.50 0.03 -0.22 -1.40 0.00 0.00 179.01 177.95 3f2k h LYS 100 N 0.23 0.42 -0.60 2.33 1.63 -1.75 -2.71 116.57 116.11 3f2k h LYS 100 Ca 0.08 -0.12 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 3f2k h LYS 100 Cb 0.28 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 3f2k h LYS 100 CO 0.00 0.56 0.19 -0.92 -3.45 0.00 0.00 179.45 175.83 3f2k h TYR 101 N 0.22 0.93 -0.73 1.91 3.20 -0.98 -1.31 116.97 120.20 3f2k h TYR 101 Ca 0.07 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3f2k h TYR 101 Cb 0.35 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3f2k h TYR 101 CO 0.03 0.75 0.45 0.00 -1.64 0.00 0.00 178.16 177.74 3f2k h ALA 102 N 1.32 0.98 -0.37 1.82 0.00 -0.81 -0.33 119.26 121.87 3f2k h ALA 102 Ca 0.20 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3f2k h ALA 102 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3f2k h ALA 102 CO -0.01 0.19 -0.13 1.96 0.00 0.00 0.00 179.25 181.27 3f2k h GLN 103 N 0.85 0.65 -0.51 0.00 1.08 -1.15 -1.58 115.11 114.45 3f2k h GLN 103 Ca 0.31 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 3f2k h GLN 103 Cb 0.10 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3f2k h GLN 103 CO -0.14 0.76 -0.04 0.93 -0.95 0.00 0.00 178.83 179.39 3f2k h GLU 104 N 0.59 0.93 -0.50 1.46 4.39 -0.72 -1.81 114.58 118.91 3f2k h GLU 104 Ca 0.10 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3f2k h GLU 104 Cb 0.56 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3f2k h GLU 104 CO 0.04 0.97 0.26 0.82 -1.16 0.00 0.00 179.01 179.93 3f2k h ILE 105 N 0.79 1.18 -0.50 3.13 2.04 -0.81 -2.73 117.51 120.61 3f2k h ILE 105 Ca 0.14 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.56 3f2k h ILE 105 Cb 0.57 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3f2k h ILE 105 CO 0.03 0.20 0.23 -0.78 0.00 0.00 0.00 178.15 177.83 3f2k h ASP 106 N 0.66 0.31 0.00 1.72 1.82 -1.10 0.80 116.42 120.63 3f2k h ASP 106 Ca 0.17 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 3f2k h ASP 106 Cb 0.08 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.08 3f2k h ASP 106 CO -0.02 0.22 0.00 1.21 -1.61 0.00 0.00 179.24 179.03 3f2k n GLU 107 N -4.92 0.35 0.00 0.28 2.13 -0.70 -1.89 120.64 115.89 3f2k n GLU 107 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3f2k n GLU 107 Cb 0.15 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.59 3f2k n GLU 107 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3f2k n ASN 109 N 0.63 0.00 -0.20 4.31 5.15 0.27 -2.23 115.26 123.20 3f2k n ASN 109 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 3f2k n ASN 109 Cb 0.14 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.41 3f2k n ASN 109 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3f2k h GLN 110 N 0.00 0.93 -0.65 1.20 4.20 -1.63 -0.18 115.11 118.98 3f2k h GLN 110 Ca 0.00 -0.25 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 3f2k h GLN 110 Cb 0.00 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3f2k h GLN 110 CO 0.00 0.90 0.18 0.87 -0.67 0.00 0.00 178.83 180.10 3f2k h LYS 111 N 0.83 1.01 -0.66 1.46 1.57 -1.74 -2.08 116.57 116.95 3f2k h LYS 111 Ca 0.17 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3f2k h LYS 111 Cb 0.42 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3f2k h LYS 111 CO 0.01 0.88 0.31 1.25 -0.57 0.00 0.00 179.45 181.33 3f2k h LEU 112 N 0.97 0.88 -0.68 2.94 5.85 -1.78 0.55 115.31 124.03 3f2k h LEU 112 Ca 0.21 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3f2k h LEU 112 Cb 0.31 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3f2k h LEU 112 CO -0.00 0.78 0.45 1.56 -0.34 0.00 0.00 178.44 180.88 3f2k h GLN 113 N 0.92 0.89 -0.15 1.25 4.20 -0.73 0.24 115.11 121.74 3f2k h GLN 113 Ca 0.23 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3f2k h GLN 113 Cb 0.14 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3f2k h GLN 113 CO -0.03 0.59 0.03 -0.09 -0.67 0.00 0.00 178.83 178.66 3f2k h ARG 114 N 0.92 0.24 -0.23 1.46 2.43 -1.10 -3.19 114.38 114.90 3f2k h ARG 114 Ca 0.25 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3f2k h ARG 114 Cb -0.10 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3f2k h ARG 114 CO -0.05 0.41 0.03 -0.07 -1.51 0.00 0.00 179.97 178.77 3f2k h LEU 115 N 0.03 0.30 -0.10 3.80 3.38 -0.30 -2.72 115.31 119.70 3f2k h LEU 115 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3f2k h LEU 115 Cb 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3f2k h LEU 115 CO 0.00 0.34 -0.03 0.00 0.09 0.00 0.00 178.44 178.84 3f2k n GLN 116 N -4.37 0.68 -0.77 1.13 6.02 0.80 -5.08 117.38 115.78 3f2k n GLN 116 Ca 0.00 -0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 3f2k n GLN 116 Cb 0.18 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 3f2k n GLN 116 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3f2k n LEU 117 N -1.07 2.50 0.00 1.08 4.77 -1.03 -5.08 117.00 118.17 3f2k n LEU 117 Ca 0.17 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 3f2k n LEU 117 Cb 0.23 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3f2k n LEU 117 CO 0.22 -1.12 -0.01 0.54 -1.33 0.00 0.00 177.39 175.69 3f2k n ARG 122 N 7.23 4.82 -1.92 3.23 1.74 -1.26 -5.17 116.66 125.33 3f2k n ARG 122 Ca 0.46 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.23 3f2k n ARG 122 Cb 0.38 -0.51 0.02 0.00 -1.02 0.00 0.00 32.46 31.33 3f2k n ARG 122 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3f2k s LYS 123 N -0.22 3.41 0.73 5.56 1.02 -1.26 -5.00 119.74 123.98 3f2k s LYS 123 Ca 0.00 0.64 -0.12 0.00 0.02 0.00 0.00 55.97 56.51 3f2k s LYS 123 Cb 0.00 -2.08 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3f2k s LYS 123 CO 0.00 -0.67 1.10 0.20 -0.92 0.00 0.00 175.35 175.07 3f2k s GLY 124 N -4.22 1.88 0.66 -3.33 0.00 -1.26 -5.00 107.32 96.05 3f2k s GLY 124 Ca 0.55 0.40 -0.13 0.00 0.00 0.00 0.00 44.72 45.54 3f2k s GLY 124 CO 0.53 0.75 1.07 2.56 0.00 0.00 0.00 173.10 178.01 3f2k s PRO 125 N -4.55 3.00 -0.13 2.90 0.04 -1.26 -4.91 135.00 130.09 3f2k s PRO 125 Ca 0.64 1.15 -0.00 0.00 0.04 0.00 0.00 61.00 62.82 3f2k s PRO 125 Cb -0.19 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3f2k s PRO 125 CO 0.50 -1.06 -0.10 0.42 0.04 0.00 0.00 177.00 176.80 3f2k s ILE 126 N -2.68 1.26 -0.11 0.56 1.01 -0.66 -2.61 121.20 117.97 3f2k s ILE 126 Ca 0.62 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 3f2k s ILE 126 Cb -0.16 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3f2k s ILE 126 CO 0.45 0.40 0.41 -0.22 0.00 0.00 0.00 174.94 175.98 3f2k s LEU 127 N 1.61 4.30 -0.28 2.97 2.96 0.80 -0.86 118.68 130.19 3f2k s LEU 127 Ca 0.05 0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 54.68 3f2k s LEU 127 Cb -0.13 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.02 3f2k s LEU 127 CO -0.09 0.09 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.80 3f2k s LEU 128 N 0.24 3.59 0.13 -0.68 2.96 0.06 -0.83 118.68 124.16 3f2k s LEU 128 Ca 0.23 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 3f2k s LEU 128 Cb -0.15 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.83 3f2k s LEU 128 CO 0.09 -0.19 0.30 -1.38 -1.32 0.00 0.00 176.35 173.84 3f2k s HIS 129 N 1.33 0.12 0.88 5.38 -3.43 -1.26 -2.71 115.29 115.60 3f2k s HIS 129 Ca -0.01 -0.50 -0.10 0.00 -0.80 0.00 0.00 55.06 53.65 3f2k s HIS 129 Cb -0.18 0.05 0.18 0.00 -1.43 0.00 0.00 32.58 31.21 3f2k s HIS 129 CO -0.02 -0.67 1.21 0.16 -2.00 0.00 0.00 174.74 173.42 3f2k s ASP 130 N -2.88 3.48 -0.19 7.38 1.47 -1.26 -4.81 116.67 119.86 3f2k s ASP 130 Ca 0.09 -0.07 0.05 0.00 1.18 0.00 0.00 52.55 53.79 3f2k s ASP 130 Cb 0.03 -0.05 0.42 0.00 -0.34 0.00 0.00 42.92 42.98 3f2k s ASP 130 CO -0.07 -2.47 1.35 -0.46 0.68 0.00 0.00 175.17 174.21 3f2k n ASN 131 N -3.43 3.55 -4.47 2.11 6.94 -1.26 -4.80 115.26 113.90 3f2k n ASN 131 Ca 0.16 -2.71 -0.43 0.00 -0.02 0.00 0.00 54.58 51.58 3f2k n ASN 131 Cb 0.60 -0.65 -0.00 0.00 -2.36 0.00 0.00 39.78 37.37 3f2k n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3f2k n ALA 132 N -0.03 -1.43 -0.27 -2.53 0.00 -1.26 -4.79 120.51 110.19 3f2k n ALA 132 Ca 0.24 0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.95 3f2k n ALA 132 Cb 0.97 -1.80 0.15 0.00 0.00 0.00 0.00 19.45 18.77 3f2k n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f2k h ARG 133 N 1.07 0.70 0.00 0.00 3.08 -1.99 -0.43 114.38 116.81 3f2k h ARG 133 Ca -0.38 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 3f2k h ARG 133 Cb 1.39 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3f2k h ARG 133 CO 0.54 0.46 -0.06 -1.35 -1.07 0.00 0.00 179.97 178.49 3f2k h PRO 134 N 0.72 0.00 0.00 0.04 0.11 -1.89 -2.41 132.00 128.57 3f2k h PRO 134 Ca 0.38 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 3f2k h PRO 134 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3f2k h PRO 134 CO -0.25 0.06 -0.23 0.45 -0.21 0.00 0.00 178.00 177.82 3f2k h HIS 135 N 0.00 0.00 0.00 0.65 3.86 -1.38 -3.27 115.15 115.01 3f2k h HIS 135 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3f2k h HIS 135 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3f2k h HIS 135 CO 0.00 0.23 0.00 1.33 0.86 0.00 0.00 177.93 180.35 3f2k n VAL 136 N -3.36 0.82 -3.54 2.45 0.24 -0.93 -4.74 118.33 109.28 3f2k n VAL 136 Ca 0.00 -0.91 -0.21 0.00 -2.04 0.00 0.00 64.34 61.19 3f2k n VAL 136 Cb 0.45 0.59 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 3f2k n VAL 136 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f2k s ALA 137 N -0.82 4.09 0.38 2.33 0.00 -1.08 -4.88 121.76 121.78 3f2k s ALA 137 Ca 0.00 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 49.89 3f2k s ALA 137 Cb 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 23.12 21.98 3f2k s ALA 137 CO 0.00 -0.23 0.88 -0.65 0.00 0.00 0.00 175.76 175.76 3f2k s GLN 138 N -4.14 4.21 -0.05 0.00 -1.52 -1.26 -1.70 119.66 115.20 3f2k s GLN 138 Ca 0.48 1.02 0.15 0.00 -1.95 0.00 0.00 55.36 55.06 3f2k s GLN 138 Cb -0.03 -2.35 0.50 0.00 -0.22 0.00 0.00 33.01 30.91 3f2k s GLN 138 CO 0.28 0.07 1.39 -0.35 -0.25 0.00 0.00 175.29 176.44 3f2k n PRO 139 N -0.37 2.66 -0.14 2.91 -0.04 -1.26 -4.68 135.00 134.07 3f2k n PRO 139 Ca 0.05 -2.01 -0.04 0.00 -0.04 0.00 0.00 63.50 61.46 3f2k n PRO 139 Cb 0.53 -1.59 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3f2k n PRO 139 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3f2k h THR 140 N 3.05 0.60 -0.30 0.52 2.02 -1.59 -1.70 112.91 115.51 3f2k h THR 140 Ca 0.00 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.17 3f2k h THR 140 Cb 0.94 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3f2k h THR 140 CO 0.10 0.01 0.19 -0.07 0.37 0.00 0.00 175.52 176.11 3f2k h LEU 141 N 0.04 0.31 -1.14 2.58 3.38 -1.62 -1.54 115.31 117.33 3f2k h LEU 141 Ca 0.22 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3f2k h LEU 141 Cb 0.33 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3f2k h LEU 141 CO -0.42 0.23 0.58 -0.61 0.09 0.00 0.00 178.44 178.31 3f2k h GLN 142 N 0.38 1.14 -0.39 1.13 4.15 -1.81 -0.70 115.11 119.02 3f2k h GLN 142 Ca 0.12 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3f2k h GLN 142 Cb -0.02 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 3f2k h GLN 142 CO -0.04 0.75 0.21 -0.22 -1.93 0.00 0.00 178.83 177.60 3f2k h LYS 143 N 1.17 0.54 -0.36 1.69 1.63 -0.84 0.61 116.57 121.02 3f2k h LYS 143 Ca 0.33 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 3f2k h LYS 143 Cb -0.10 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 3f2k h LYS 143 CO -0.08 0.44 0.24 -0.07 -3.45 0.00 0.00 179.45 176.53 3f2k h LEU 144 N 0.50 0.41 -0.41 5.20 3.38 -0.94 -0.89 115.31 122.55 3f2k h LEU 144 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3f2k h LEU 144 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3f2k h LEU 144 CO -0.02 0.30 0.21 -1.13 0.09 0.00 0.00 178.44 177.89 3f2k h ASN 145 N 0.49 0.53 -0.09 -0.43 -0.73 -0.67 -0.69 115.58 113.99 3f2k h ASN 145 Ca 0.13 -0.11 -0.04 0.00 1.87 0.00 0.00 56.30 58.15 3f2k h ASN 145 Cb -0.05 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 3f2k h ASN 145 CO -0.03 0.49 -0.05 -0.33 -0.37 0.00 0.00 177.43 177.15 3f2k h GLU 146 N 0.53 0.32 -0.01 6.67 5.08 -0.64 -2.40 114.58 124.12 3f2k h GLU 146 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3f2k h GLU 146 Cb 0.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3f2k h GLU 146 CO -0.02 0.39 -0.20 1.28 -1.00 0.00 0.00 179.01 179.46 3f2k n LEU 147 N -4.32 1.52 0.00 1.33 4.77 -0.36 -4.95 117.00 114.99 3f2k n LEU 147 Ca 0.00 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3f2k n LEU 147 Cb 0.23 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3f2k n LEU 147 CO 0.38 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3f2k n GLY 148 N 1.31 0.90 3.65 -0.72 0.00 -0.73 -5.00 105.19 104.60 3f2k n GLY 148 Ca 0.14 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 3f2k n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f2k s TYR 149 N -2.00 3.34 0.47 1.61 2.02 -0.34 -4.38 117.35 118.06 3f2k s TYR 149 Ca 0.00 0.73 -0.21 0.00 -0.37 0.00 0.00 57.07 57.22 3f2k s TYR 149 Cb 0.00 -2.69 -0.09 0.00 -0.40 0.00 0.00 41.96 38.79 3f2k s TYR 149 CO 0.00 -0.16 1.04 -2.00 -1.57 0.00 0.00 175.55 172.86 3f2k s GLU 150 N 1.85 3.87 -0.15 -0.62 2.12 -1.07 -4.52 118.70 120.17 3f2k s GLU 150 Ca 0.23 1.37 -0.04 0.00 0.36 0.00 0.00 54.97 56.90 3f2k s GLU 150 Cb -0.15 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 3f2k s GLU 150 CO 0.09 -0.37 -0.03 0.08 -0.54 0.00 0.00 175.26 174.49 3f2k s VAL 151 N -1.94 3.94 0.15 3.70 1.01 -1.26 -0.14 120.40 125.86 3f2k s VAL 151 Ca 0.66 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 3f2k s VAL 151 Cb -0.17 -2.73 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 3f2k s VAL 151 CO 0.21 0.50 1.03 -0.22 0.00 0.00 0.00 175.10 176.62 3f2k s LEU 152 N 0.32 4.50 0.25 3.92 2.96 -0.01 -4.92 118.68 125.70 3f2k s LEU 152 Ca -0.03 1.96 -0.30 0.00 -0.22 0.00 0.00 54.13 55.53 3f2k s LEU 152 Cb -0.14 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.81 3f2k s LEU 152 CO 0.03 -0.14 1.26 -2.65 -1.32 0.00 0.00 176.35 173.53 3f2k n PRO 153 N 2.49 1.73 -3.72 0.98 -0.02 -1.26 -4.76 135.00 130.44 3f2k n PRO 153 Ca 0.02 0.61 -0.16 0.00 -2.02 0.00 0.00 63.50 61.95 3f2k n PRO 153 Cb 0.47 -2.17 -0.16 0.00 -0.02 0.00 0.00 33.50 31.63 3f2k n PRO 153 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3f2k s HIS 154 N -0.46 -0.06 0.34 6.00 2.46 -1.26 -5.04 115.29 117.27 3f2k s HIS 154 Ca 0.65 0.36 -0.24 0.00 0.47 0.00 0.00 55.06 56.30 3f2k s HIS 154 Cb -0.69 -0.26 -0.10 0.00 -0.13 0.00 0.00 32.58 31.40 3f2k s HIS 154 CO 0.54 -0.17 0.93 -1.25 -2.47 0.00 0.00 174.74 172.32 3f2k s PRO 155 N 1.63 4.47 0.91 2.88 0.04 -1.26 -4.91 135.00 138.75 3f2k s PRO 155 Ca -0.03 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 3f2k s PRO 155 Cb -0.12 -2.66 0.13 0.00 0.04 0.00 0.00 34.50 31.89 3f2k s PRO 155 CO -0.04 0.22 1.08 -2.30 0.04 0.00 0.00 177.00 175.99 3f2k n PRO 156 N 0.28 -0.35 -3.76 0.56 -0.02 -1.26 -3.53 135.00 126.91 3f2k n PRO 156 Ca 0.03 -0.04 -0.28 0.00 -2.02 0.00 0.00 63.50 61.19 3f2k n PRO 156 Cb 0.51 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3f2k n PRO 156 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3f2k n TYR 157 N -4.05 -2.33 -3.14 6.00 4.01 -1.26 -4.93 117.16 111.46 3f2k n TYR 157 Ca 0.12 0.86 -0.23 0.00 -0.16 0.00 0.00 57.90 58.49 3f2k n TYR 157 Cb 0.52 -4.08 -0.05 0.00 -0.31 0.00 0.00 39.34 35.42 3f2k n TYR 157 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3f2k n SER 158 N -2.79 2.09 0.23 7.72 7.64 -1.23 -4.86 113.62 122.41 3f2k n SER 158 Ca 0.02 -3.20 0.16 0.00 1.01 0.00 0.00 58.87 56.86 3f2k n SER 158 Cb 0.54 -0.61 0.70 0.00 -1.01 0.00 0.00 64.21 63.83 3f2k n SER 158 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3f2k h PRO 159 N 3.29 0.00 0.00 1.43 0.13 -1.92 -1.59 132.00 133.35 3f2k h PRO 159 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3f2k h PRO 159 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3f2k h PRO 159 CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 3f2k n ASP 160 N -2.72 0.00 -0.44 1.44 5.75 -1.26 -2.23 116.55 117.09 3f2k n ASP 160 Ca 0.00 0.24 0.04 0.00 -0.01 0.00 0.00 54.79 55.06 3f2k n ASP 160 Cb 0.21 -0.40 0.10 0.00 -1.03 0.00 0.00 41.12 40.00 3f2k n ASP 160 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3f2k n LEU 161 N -1.40 2.57 -4.13 -2.12 4.77 -0.60 -4.93 117.00 111.15 3f2k n LEU 161 Ca 0.09 -1.92 -0.35 0.00 -0.03 0.00 0.00 56.01 53.79 3f2k n LEU 161 Cb 0.25 -0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 3f2k n LEU 161 CO 0.21 0.64 -0.25 -0.22 -1.33 0.00 0.00 177.39 176.44 3f2k s LEU 162 N -0.97 4.75 0.53 2.23 2.96 -0.95 -5.00 118.68 122.22 3f2k s LEU 162 Ca 0.16 -1.77 0.19 0.00 -0.22 0.00 0.00 54.13 52.49 3f2k s LEU 162 Cb 0.08 -1.78 1.33 0.00 0.50 0.00 0.00 46.19 46.33 3f2k s LEU 162 CO 0.11 -0.43 2.12 -0.65 -1.32 0.00 0.00 176.35 176.18 3f2k h PRO 163 N 8.00 0.00 -0.50 0.98 0.11 -1.89 -0.99 132.00 137.71 3f2k h PRO 163 Ca -0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 3f2k h PRO 163 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3f2k h PRO 163 CO 0.63 0.00 0.15 1.15 -0.21 0.00 0.00 178.00 179.71 3f2k h THR 164 N 0.00 1.20 0.04 -1.15 2.02 -1.92 -1.08 112.91 112.02 3f2k h THR 164 Ca 0.05 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 3f2k h THR 164 Cb 0.21 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3f2k h THR 164 CO -0.00 0.26 -0.02 -1.13 0.37 0.00 0.00 175.52 175.00 3f2k h ASN 165 N 0.72 -0.04 1.40 4.18 -0.73 -1.47 0.21 115.58 119.84 3f2k h ASN 165 Ca 0.17 -0.63 0.00 0.00 1.87 0.00 0.00 56.30 57.71 3f2k h ASN 165 Cb 0.23 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.83 3f2k h ASN 165 CO -0.01 0.71 0.00 0.10 -0.37 0.00 0.00 177.43 177.87 3f2k h TYR 166 N -0.91 0.00 0.00 0.67 -0.00 -1.40 -3.11 116.97 112.21 3f2k h TYR 166 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 3f2k h TYR 166 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.40 3f2k h TYR 166 CO 0.17 0.00 0.00 1.58 -0.00 0.00 0.00 178.16 179.91 3f2k n HIS 167 N -3.05 0.00 -0.02 0.10 -0.00 -0.42 -4.46 115.22 107.36 3f2k n HIS 167 Ca 0.02 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.10 3f2k n HIS 167 Cb 0.39 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.22 3f2k n HIS 167 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3f2k h VAL 168 N 0.00 1.02 -0.18 3.57 2.07 -1.38 -2.40 116.25 118.95 3f2k h VAL 168 Ca 0.00 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 3f2k h VAL 168 Cb 0.00 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3f2k h VAL 168 CO 0.00 0.03 -0.32 -0.26 0.02 0.00 0.00 177.57 177.04 3f2k h PHE 169 N 0.19 0.40 -0.03 1.57 0.04 -0.66 0.83 116.94 119.29 3f2k h PHE 169 Ca 0.06 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.74 3f2k h PHE 169 Cb -0.01 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3f2k h PHE 169 CO -0.08 0.64 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.02 3f2k h LYS 170 N 0.31 -0.05 -0.23 1.51 3.64 -1.44 0.90 116.57 121.20 3f2k h LYS 170 Ca 0.04 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3f2k h LYS 170 Cb 0.73 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3f2k h LYS 170 CO 0.06 -0.03 -0.27 0.45 -2.27 0.00 0.00 179.45 177.38 3f2k h HIS 171 N -0.05 0.51 -0.25 1.91 3.86 -1.13 -2.27 115.15 117.73 3f2k h HIS 171 Ca 0.02 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 3f2k h HIS 171 Cb 0.08 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3f2k h HIS 171 CO -0.12 0.68 0.04 1.25 0.86 0.00 0.00 177.93 180.65 3f2k h LEU 172 N 0.40 0.40 -0.57 2.43 5.85 -0.61 -1.35 115.31 121.85 3f2k h LEU 172 Ca 0.06 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.63 3f2k h LEU 172 Cb 0.68 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 3f2k h LEU 172 CO 0.05 0.55 0.07 0.78 -0.34 0.00 0.00 178.44 179.55 3f2k h ASN 173 N 0.22 -0.11 -0.25 1.25 2.35 -0.63 0.44 115.58 118.86 3f2k h ASN 173 Ca 0.08 0.12 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 3f2k h ASN 173 Cb 0.32 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 3f2k h ASN 173 CO 0.00 -0.04 -0.08 0.78 -1.65 0.00 0.00 177.43 176.45 3f2k h ASN 174 N 0.19 -0.29 -0.97 5.81 2.35 -1.18 -2.57 115.58 118.92 3f2k h ASN 174 Ca 0.30 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 56.15 3f2k h ASN 174 Cb 0.45 0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.94 3f2k h ASN 174 CO -0.43 -0.11 0.64 0.15 -1.65 0.00 0.00 177.43 176.04 3f2k h PHE 175 N -0.03 1.20 0.00 1.19 3.57 -0.43 -2.80 116.94 119.64 3f2k h PHE 175 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3f2k h PHE 175 Cb 0.22 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3f2k h PHE 175 CO -0.27 0.72 0.00 -0.07 -2.23 0.00 0.00 178.31 176.46 3f2k h LEU 176 N 1.26 0.00 -8.96 0.59 3.38 -0.61 -3.44 115.31 107.53 3f2k h LEU 176 Ca 0.37 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.78 3f2k h LEU 176 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3f2k h LEU 176 CO -0.10 0.00 0.98 -1.10 0.09 0.00 0.00 178.44 178.30 3f2k s GLN 177 N -3.17 3.92 -0.43 1.13 -0.21 -1.00 0.13 119.66 120.03 3f2k s GLN 177 Ca 0.09 1.27 0.04 0.00 0.02 0.00 0.00 55.36 56.78 3f2k s GLN 177 Cb 0.09 -3.88 0.17 0.00 1.00 0.00 0.00 33.01 30.38 3f2k s GLN 177 CO 0.62 -1.12 0.35 0.20 -2.12 0.00 0.00 175.29 173.22 3f2k s GLY 178 N 2.83 1.31 0.59 3.09 0.00 -1.26 -5.02 107.32 108.87 3f2k s GLY 178 Ca 0.57 -2.53 -0.03 0.00 0.00 0.00 0.00 44.72 42.73 3f2k s GLY 178 CO 0.23 2.05 0.86 0.54 0.00 0.00 0.00 173.10 176.78 3f2k s LYS 179 N -0.02 2.56 -0.07 2.90 1.02 0.36 -4.53 119.74 121.97 3f2k s LYS 179 Ca 0.32 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.85 3f2k s LYS 179 Cb 0.02 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3f2k s LYS 179 CO -0.19 -0.82 0.00 -0.98 -0.92 0.00 0.00 175.35 172.44 3f2k s ARG 180 N -4.93 0.60 0.17 1.68 1.04 -1.26 -0.83 118.95 115.41 3f2k s ARG 180 Ca 0.56 0.11 0.05 0.00 -1.04 0.00 0.00 55.73 55.41 3f2k s ARG 180 Cb -0.10 -0.96 -0.04 0.00 -2.04 0.00 0.00 34.95 31.81 3f2k s ARG 180 CO 0.41 -0.30 0.15 -0.06 -0.04 0.00 0.00 175.30 175.46 3f2k s PHE 181 N 1.96 3.17 -0.24 5.89 0.08 0.81 -5.02 117.98 124.63 3f2k s PHE 181 Ca 0.05 -0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.17 3f2k s PHE 181 Cb -0.12 -1.52 -0.20 0.00 -0.57 0.00 0.00 43.02 40.61 3f2k s PHE 181 CO -0.05 0.52 -0.12 -2.39 -0.10 0.00 0.00 175.22 173.08 3f2k n HIS 182 N -0.39 0.00 -4.15 0.36 -0.00 -1.26 -4.71 115.22 105.07 3f2k n HIS 182 Ca -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.51 3f2k n HIS 182 Cb 0.55 -0.99 -0.05 0.00 -0.00 0.00 0.00 29.99 29.50 3f2k n HIS 182 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 3f2k n ASN 183 N -3.06 -0.54 0.16 4.39 0.23 -1.26 -5.05 115.26 110.13 3f2k n ASN 183 Ca -0.41 -2.46 0.01 0.00 -0.53 0.00 0.00 54.58 51.19 3f2k n ASN 183 Cb 1.05 1.22 0.28 0.00 -2.08 0.00 0.00 39.78 40.25 3f2k n ASN 183 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3f2k h GLN 184 N 0.00 0.01 -0.30 -3.83 4.15 -1.98 -3.15 115.11 110.01 3f2k h GLN 184 Ca -0.16 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.12 3f2k h GLN 184 Cb 0.81 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 3f2k h GLN 184 CO 0.23 0.48 -0.37 0.37 -1.93 0.00 0.00 178.83 177.61 3f2k h GLN 185 N 0.01 0.69 -0.18 1.69 5.75 -1.99 -0.96 115.11 120.11 3f2k h GLN 185 Ca -0.00 -0.34 -0.13 0.00 -0.15 0.00 0.00 58.65 58.03 3f2k h GLN 185 Cb 0.83 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 3f2k h GLN 185 CO 0.06 0.95 -0.43 -0.44 -2.65 0.00 0.00 178.83 176.32 3f2k h ASP 186 N 0.57 0.47 -0.20 -0.69 3.32 -1.97 0.82 116.42 118.75 3f2k h ASP 186 Ca 0.05 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 3f2k h ASP 186 Cb 0.89 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3f2k h ASP 186 CO 0.08 0.85 -0.07 0.00 -1.72 0.00 0.00 179.24 178.37 3f2k h ALA 187 N 1.17 0.28 -0.58 3.45 0.00 -1.48 -1.50 119.26 120.59 3f2k h ALA 187 Ca 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3f2k h ALA 187 Cb 0.91 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3f2k h ALA 187 CO 0.08 0.09 0.32 0.93 0.00 0.00 0.00 179.25 180.66 3f2k h GLU 188 N 0.12 0.58 -0.73 0.00 5.08 -0.99 -1.49 114.58 117.15 3f2k h GLU 188 Ca 0.05 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3f2k h GLU 188 Cb 0.55 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3f2k h GLU 188 CO 0.03 0.39 0.28 -0.91 -1.00 0.00 0.00 179.01 177.80 3f2k h ASN 189 N 0.60 1.00 -0.42 1.42 2.35 -0.72 0.20 115.58 120.00 3f2k h ASN 189 Ca 0.26 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3f2k h ASN 189 Cb 0.14 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3f2k h ASN 189 CO -0.16 0.89 -0.19 0.00 -1.65 0.00 0.00 177.43 176.31 3f2k h ALA 190 N 1.25 0.59 -0.83 -0.83 0.00 -1.05 -1.37 119.26 117.02 3f2k h ALA 190 Ca 0.24 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3f2k h ALA 190 Cb 0.21 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3f2k h ALA 190 CO -0.02 0.55 0.54 0.35 0.00 0.00 0.00 179.25 180.67 3f2k h PHE 191 N 0.69 1.03 -0.20 0.00 3.57 -1.08 0.25 116.94 121.19 3f2k h PHE 191 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3f2k h PHE 191 Cb 0.76 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3f2k h PHE 191 CO 0.06 0.63 0.13 0.37 -2.23 0.00 0.00 178.31 177.27 3f2k h GLN 192 N 1.10 0.27 -0.50 1.11 4.15 -0.77 -0.25 115.11 120.22 3f2k h GLN 192 Ca 0.31 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.69 3f2k h GLN 192 Cb -0.09 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3f2k h GLN 192 CO -0.08 0.21 0.24 0.93 -1.93 0.00 0.00 178.83 178.20 3f2k h GLU 193 N 0.26 0.70 0.60 1.69 5.08 -1.00 0.23 114.58 122.15 3f2k h GLU 193 Ca 0.07 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3f2k h GLU 193 Cb 0.01 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.12 3f2k h GLU 193 CO -0.01 0.55 -0.29 0.35 -1.00 0.00 0.00 179.01 178.61 3f2k h PHE 194 N 0.71 -0.75 -0.53 4.33 3.57 -0.42 -1.08 116.94 122.77 3f2k h PHE 194 Ca 0.18 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.74 3f2k h PHE 194 Cb 0.08 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3f2k h PHE 194 CO 0.01 -0.46 0.18 0.28 -2.23 0.00 0.00 178.31 176.09 3f2k h VAL 195 N -0.84 0.80 0.00 1.41 2.07 -0.81 -2.55 116.25 116.33 3f2k h VAL 195 Ca -0.08 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3f2k h VAL 195 Cb 0.63 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3f2k h VAL 195 CO 0.14 0.06 0.00 -0.33 0.02 0.00 0.00 177.57 177.46 3f2k h GLU 196 N 0.35 0.00 0.00 1.57 5.08 -0.90 -2.71 114.58 117.97 3f2k h GLU 196 Ca 0.26 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3f2k h GLU 196 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3f2k h GLU 196 CO -0.27 0.00 -0.04 0.66 -1.00 0.00 0.00 179.01 178.36 3f2k h SER 197 N 0.00 0.00 -3.76 1.42 4.64 -0.75 -3.47 113.55 111.64 3f2k h SER 197 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 3f2k h SER 197 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 3f2k h SER 197 CO 0.00 0.04 0.20 -1.10 -0.87 0.00 0.00 176.83 175.10 3f2k s GLN 198 N -3.73 4.29 0.78 4.77 -1.52 -1.02 -5.05 119.66 118.17 3f2k s GLN 198 Ca 0.00 0.99 -0.12 0.00 -1.95 0.00 0.00 55.36 54.28 3f2k s GLN 198 Cb 0.10 -2.67 0.06 0.00 -0.22 0.00 0.00 33.01 30.28 3f2k s GLN 198 CO 0.55 0.25 1.11 -1.54 -0.25 0.00 0.00 175.29 175.42 3f2k s SER 199 N -1.84 4.75 0.56 5.90 1.04 -1.26 -4.96 113.70 117.89 3f2k s SER 199 Ca 0.50 1.14 0.30 0.00 0.48 0.00 0.00 55.95 58.36 3f2k s SER 199 Cb -0.15 -1.84 1.66 0.00 0.10 0.00 0.00 66.02 65.79 3f2k s SER 199 CO 0.20 -1.79 2.16 0.71 0.98 0.00 0.00 173.24 175.50 3f2k h THR 200 N -0.96 0.49 -0.01 2.02 1.35 -1.99 -2.31 112.91 111.49 3f2k h THR 200 Ca -0.46 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3f2k h THR 200 Cb 1.28 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3f2k h THR 200 CO 0.62 0.06 -0.15 -0.90 -0.25 0.00 0.00 175.52 174.90 3f2k n ASP 201 N -3.65 1.51 -0.15 5.36 5.75 -1.26 -4.48 116.55 119.63 3f2k n ASP 201 Ca -0.02 -1.30 -0.05 0.00 -0.01 0.00 0.00 54.79 53.41 3f2k n ASP 201 Cb 0.17 0.10 0.04 0.00 -1.03 0.00 0.00 41.12 40.41 3f2k n ASP 201 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3f2k h PHE 202 N 2.13 0.41 -0.62 2.11 3.57 -1.79 -2.61 116.94 120.14 3f2k h PHE 202 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 3f2k h PHE 202 Cb 0.58 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3f2k h PHE 202 CO 0.00 0.19 0.12 1.88 -2.23 0.00 0.00 178.31 178.28 3f2k h TYR 203 N 0.44 1.08 -0.81 0.41 0.05 -1.80 -3.01 116.97 113.33 3f2k h TYR 203 Ca 0.21 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.88 3f2k h TYR 203 Cb 0.13 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 3f2k h TYR 203 CO -0.11 0.91 0.53 0.00 -1.05 0.00 0.00 178.16 178.44 3f2k h ALA 204 N 1.04 1.50 -0.07 3.88 0.00 -1.41 -1.61 119.26 122.58 3f2k h ALA 204 Ca 0.19 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3f2k h ALA 204 Cb 0.40 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3f2k h ALA 204 CO 0.01 0.43 -0.31 1.15 0.00 0.00 0.00 179.25 180.53 3f2k h THR 205 N 1.01 0.32 -0.54 0.00 2.02 -1.33 0.78 112.91 115.17 3f2k h THR 205 Ca 0.32 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.53 3f2k h THR 205 Cb 0.01 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 3f2k h THR 205 CO -0.09 0.00 0.31 1.23 0.37 0.00 0.00 175.52 177.34 3f2k h GLY 206 N -0.41 0.76 1.75 2.16 0.00 -1.30 -2.29 103.07 103.74 3f2k h GLY 206 Ca 0.08 -0.23 -0.25 0.00 0.00 0.00 0.00 47.33 46.93 3f2k h GLY 206 CO -0.31 0.18 -1.16 -2.22 0.00 0.00 0.00 176.54 173.04 3f2k h ILE 207 N 0.61 1.57 0.00 2.60 2.04 -1.30 -3.20 117.51 119.84 3f2k h ILE 207 Ca 0.22 -3.18 -0.05 0.00 1.00 0.00 0.00 64.86 62.85 3f2k h ILE 207 Cb 0.05 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3f2k h ILE 207 CO -0.11 0.92 -0.25 0.78 0.00 0.00 0.00 178.15 179.49 3f2k h ASN 208 N 0.05 0.00 0.23 1.72 2.35 -0.79 -2.07 115.58 117.07 3f2k h ASN 208 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3f2k h ASN 208 Cb 1.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.27 3f2k h ASN 208 CO 0.18 0.25 0.00 1.56 -1.65 0.00 0.00 177.43 177.76 3f2k h GLN 209 N 0.00 0.00 -0.84 0.81 4.20 -1.40 -3.02 115.11 114.86 3f2k h GLN 209 Ca -0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.85 3f2k h GLN 209 Cb 0.47 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.15 3f2k h GLN 209 CO 0.03 0.00 0.43 -0.07 -0.67 0.00 0.00 178.83 178.55 3f2k h LEU 210 N 0.00 0.51 -0.28 1.46 3.38 -1.48 -1.81 115.31 117.09 3f2k h LEU 210 Ca 0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3f2k h LEU 210 Cb 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3f2k h LEU 210 CO 0.00 0.22 0.17 0.40 0.09 0.00 0.00 178.44 179.32 3f2k h ILE 211 N 0.61 1.04 -0.53 1.22 1.08 -1.76 0.23 117.51 119.40 3f2k h ILE 211 Ca 0.46 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 64.75 3f2k h ILE 211 Cb 0.65 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 3f2k h ILE 211 CO -0.36 0.06 0.11 0.77 -0.69 0.00 0.00 178.15 178.04 3f2k h SER 212 N 0.35 0.78 -0.16 1.72 4.64 -1.63 -1.81 113.55 117.44 3f2k h SER 212 Ca 0.11 -0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 61.11 3f2k h SER 212 Cb -0.02 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3f2k h SER 212 CO -0.04 0.78 -0.55 0.03 -0.87 0.00 0.00 176.83 176.18 3f2k h ARG 213 N 0.80 0.65 -0.73 4.77 3.08 -0.98 -0.65 114.38 121.31 3f2k h ARG 213 Ca 0.17 -0.49 0.12 0.00 0.07 0.00 0.00 59.98 59.85 3f2k h ARG 213 Cb 0.33 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 3f2k h ARG 213 CO 0.00 1.11 0.32 -1.49 -1.07 0.00 0.00 179.97 178.84 3f2k h TRP 214 N 0.32 0.55 -0.38 3.04 6.55 -0.42 -0.94 115.95 124.67 3f2k h TRP 214 Ca -0.02 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.74 3f2k h TRP 214 Cb 1.18 -0.14 -0.01 0.00 -0.86 0.00 0.00 29.16 29.33 3f2k h TRP 214 CO 0.10 0.13 -0.22 0.37 -1.05 0.00 0.00 178.44 177.77 3f2k h GLN 215 N 0.50 0.75 -0.30 0.49 5.75 -1.10 0.02 115.11 121.22 3f2k h GLN 215 Ca 0.38 -0.30 -0.10 0.00 -0.15 0.00 0.00 58.65 58.49 3f2k h GLN 215 Cb 0.52 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 3f2k h GLN 215 CO -0.35 0.90 -0.22 0.87 -2.65 0.00 0.00 178.83 177.38 3f2k h LYS 216 N 0.66 0.56 -0.39 1.69 1.57 -0.82 0.22 116.57 120.07 3f2k h LYS 216 Ca 0.09 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3f2k h LYS 216 Cb 0.72 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3f2k h LYS 216 CO 0.06 0.75 0.06 0.00 -0.57 0.00 0.00 179.45 179.75 3f2k h VAL 218 N 0.49 1.20 -0.33 0.00 2.07 -0.50 -0.20 116.25 118.98 3f2k h VAL 218 Ca 0.12 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3f2k h VAL 218 Cb 0.36 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3f2k h VAL 218 CO 0.01 0.22 0.16 0.44 0.02 0.00 0.00 177.57 178.42 3f2k h ASP 219 N 0.85 0.40 -0.50 0.57 3.32 -0.10 -1.10 116.42 119.86 3f2k h ASP 219 Ca 0.22 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3f2k h ASP 219 Cb 0.05 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3f2k h ASP 219 CO -0.03 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 3f2k n ASN 221 N 0.67 -5.22 0.00 0.00 4.13 -0.42 -1.62 115.26 112.80 3f2k n ASN 221 Ca 0.22 -0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.29 3f2k n ASN 221 Cb 0.92 -4.28 0.00 0.00 -1.54 0.00 0.00 39.78 34.88 3f2k n ASN 221 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3f2k n GLY 222 N -1.25 0.64 3.84 7.41 0.00 -0.12 -4.68 105.19 111.03 3f2k n GLY 222 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 3f2k n GLY 222 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3f2k s SER 223 N -2.84 2.70 0.86 1.61 0.01 -0.64 -4.45 113.70 110.95 3f2k s SER 223 Ca 0.00 0.43 -0.11 0.00 1.31 0.00 0.00 55.95 57.58 3f2k s SER 223 Cb 0.00 -0.58 0.11 0.00 0.21 0.00 0.00 66.02 65.76 3f2k s SER 223 CO 0.00 -3.00 1.11 -0.31 0.41 0.00 0.00 173.24 171.44 3f2k s TYR 224 N -3.62 2.14 0.00 2.43 2.02 -1.26 -4.77 117.35 114.29 3f2k s TYR 224 Ca 0.72 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.99 3f2k s TYR 224 Cb -0.06 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 3f2k s TYR 224 CO 0.53 -2.35 0.00 1.97 -1.57 0.00 0.00 175.55 174.13