#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4n h MET 1 N 0.00 0.45 -6.78 0.00 0.00 -1.91 -3.46 114.93 103.22 3f4n h MET 1 Ca 0.00 -0.76 -0.56 0.00 0.00 0.00 0.00 59.70 58.38 3f4n h MET 1 Cb 0.00 0.28 0.19 0.00 0.00 0.00 0.00 31.60 32.07 3f4n h MET 1 CO 0.00 1.36 -0.21 0.00 0.00 0.00 0.00 176.91 178.06 3f4n n ALA 2 N -2.80 -1.09 -2.63 6.32 0.00 -1.26 -4.96 120.51 114.08 3f4n n ALA 2 Ca -0.22 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 3f4n n ALA 2 Cb 1.09 -1.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3f4n n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f4n s ASP 3 N -1.59 6.90 -0.17 0.00 -1.08 -1.26 -5.02 116.67 114.45 3f4n s ASP 3 Ca 0.68 0.99 -0.23 0.00 -0.52 0.00 0.00 52.55 53.47 3f4n s ASP 3 Cb -0.34 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.56 3f4n s ASP 3 CO 0.56 -0.91 0.71 -0.22 0.52 0.00 0.00 175.17 175.83 3f4n s LEU 4 N 3.71 4.18 0.14 -1.34 2.96 -1.26 -4.95 118.68 122.12 3f4n s LEU 4 Ca 0.45 1.00 -0.17 0.00 -0.22 0.00 0.00 54.13 55.19 3f4n s LEU 4 Cb -0.12 -3.04 -0.07 0.00 0.50 0.00 0.00 46.19 43.47 3f4n s LEU 4 CO 0.17 -0.29 0.60 -0.76 -1.32 0.00 0.00 176.35 174.75 3f4n s LEU 5 N 1.82 4.40 -0.23 -0.68 1.43 -0.96 -4.91 118.68 119.55 3f4n s LEU 5 Ca 0.33 1.23 -0.00 0.00 -1.03 0.00 0.00 54.13 54.65 3f4n s LEU 5 Cb -0.16 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3f4n s LEU 5 CO 0.12 0.14 -0.10 -0.22 0.23 0.00 0.00 176.35 176.52 3f4n s LEU 6 N -1.69 2.94 -0.26 1.79 2.96 -1.26 0.54 118.68 123.69 3f4n s LEU 6 Ca 0.36 -0.86 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 3f4n s LEU 6 Cb -0.17 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3f4n s LEU 6 CO 0.20 -0.10 0.13 -0.83 -1.32 0.00 0.00 176.35 174.43 3f4n s GLY 7 N 1.29 1.86 -0.21 7.98 0.00 0.48 -0.61 107.32 118.11 3f4n s GLY 7 Ca 0.00 -1.08 -0.20 0.00 0.00 0.00 0.00 44.72 43.45 3f4n s GLY 7 CO -0.07 0.55 0.58 0.14 0.00 0.00 0.00 173.10 174.30 3f4n s VAL 8 N 1.58 5.05 -0.24 1.40 1.01 0.22 -2.10 120.40 127.32 3f4n s VAL 8 Ca 0.07 1.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.86 3f4n s VAL 8 Cb -0.15 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3f4n s VAL 8 CO 0.07 0.12 0.82 0.21 0.00 0.00 0.00 175.10 176.32 3f4n s ASN 9 N 1.26 6.83 -0.14 3.32 3.84 0.48 -1.01 114.94 129.54 3f4n s ASN 9 Ca 0.26 1.04 0.15 0.00 0.21 0.00 0.00 52.86 54.52 3f4n s ASN 9 Cb -0.16 -2.43 0.54 0.00 -0.55 0.00 0.00 41.25 38.65 3f4n s ASN 9 CO 0.10 -0.50 1.45 2.30 -2.79 0.00 0.00 177.10 177.66 3f4n n ILE 10 N 5.20 2.00 -0.34 -5.21 -5.35 -1.04 -4.41 119.36 110.20 3f4n n ILE 10 Ca 0.05 -1.54 0.13 0.00 -0.27 0.00 0.00 62.75 61.12 3f4n n ILE 10 Cb 0.48 -0.04 0.34 0.00 -1.74 0.00 0.00 39.64 38.67 3f4n n ILE 10 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3f4n h ASP 11 N 2.39 0.76 0.83 7.28 3.32 -1.92 -2.69 116.42 126.39 3f4n h ASP 11 Ca 0.00 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3f4n h ASP 11 Cb 1.35 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3f4n h ASP 11 CO 0.20 0.28 -0.20 0.45 -1.72 0.00 0.00 179.24 178.25 3f4n h HIS 12 N 0.74 0.00 -0.69 4.55 3.86 -1.94 0.12 115.15 121.78 3f4n h HIS 12 Ca 0.57 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.90 3f4n h HIS 12 Cb 0.91 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.30 3f4n h HIS 12 CO -0.00 0.20 0.27 0.82 0.86 0.00 0.00 177.93 180.08 3f4n h ILE 13 N 0.00 0.72 0.00 2.45 1.08 -1.83 -2.59 117.51 117.34 3f4n h ILE 13 Ca -0.00 -0.15 -0.18 0.00 -0.39 0.00 0.00 64.86 64.13 3f4n h ILE 13 Cb 0.67 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 3f4n h ILE 13 CO 0.03 0.08 -0.85 0.00 -0.69 0.00 0.00 178.15 176.72 3f4n h ALA 14 N 1.49 0.59 -0.16 1.87 0.00 -0.86 -2.56 119.26 119.63 3f4n h ALA 14 Ca 0.36 -0.75 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3f4n h ALA 14 Cb 0.50 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3f4n h ALA 14 CO -0.35 1.02 -0.42 1.15 0.00 0.00 0.00 179.25 180.65 3f4n h THR 15 N 0.02 0.15 -0.90 0.00 2.02 -1.18 0.56 112.91 113.59 3f4n h THR 15 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.28 3f4n h THR 15 Cb 1.49 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 3f4n h THR 15 CO 0.12 0.00 0.53 0.25 0.37 0.00 0.00 175.52 176.79 3f4n h LEU 16 N -0.47 0.75 0.01 2.58 5.85 -1.38 -2.02 115.31 120.64 3f4n h LEU 16 Ca 0.08 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3f4n h LEU 16 Cb 0.62 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3f4n h LEU 16 CO -0.42 0.40 -0.01 -0.09 -0.34 0.00 0.00 178.44 177.99 3f4n h ARG 17 N 0.85 -0.02 0.00 1.25 2.43 -0.97 -3.31 114.38 114.61 3f4n h ARG 17 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3f4n h ARG 17 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3f4n h ARG 17 CO -0.27 0.42 0.00 -0.91 -1.51 0.00 0.00 179.97 177.70 3f4n h ASN 18 N -0.46 0.00 -0.00 -3.80 4.21 0.31 -2.44 115.58 113.40 3f4n h ASN 18 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3f4n h ASN 18 Cb 0.44 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.64 3f4n h ASN 18 CO 0.00 0.00 0.09 0.00 -1.29 0.00 0.00 177.43 176.23 3f4n h ALA 19 N 2.04 1.09 0.00 -0.83 0.00 -1.46 -3.12 119.26 116.97 3f4n h ALA 19 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3f4n h ALA 19 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3f4n h ALA 19 CO 0.00 -0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.70 3f4n n ARG 20 N -3.03 0.96 -1.97 0.00 5.12 -0.93 -5.03 116.66 111.77 3f4n n ARG 20 Ca -0.03 -0.25 -0.18 0.00 -1.93 0.00 0.00 57.85 55.47 3f4n n ARG 20 Cb 0.15 -0.70 -0.04 0.00 -1.16 0.00 0.00 32.46 30.71 3f4n n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3f4n n GLY 21 N 0.21 0.58 3.99 -0.13 0.00 -1.12 -5.00 105.19 103.71 3f4n n GLY 21 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3f4n n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f4n s THR 22 N -2.69 2.09 -0.10 2.61 -4.23 -1.23 -5.03 115.64 107.07 3f4n s THR 22 Ca 0.00 -0.53 0.14 0.00 -1.18 0.00 0.00 61.69 60.12 3f4n s THR 22 Cb 0.00 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.23 3f4n s THR 22 CO 0.00 0.00 1.19 -0.29 -0.54 0.00 0.00 174.62 174.98 3f4n h ILE 23 N -0.67 0.89 -2.64 2.99 2.10 -1.95 -3.45 117.51 114.78 3f4n h ILE 23 Ca -0.37 -2.37 -0.56 0.00 1.08 0.00 0.00 64.86 62.64 3f4n h ILE 23 Cb 1.26 2.37 -0.06 0.00 -1.09 0.00 0.00 36.82 39.31 3f4n h ILE 23 CO 0.39 0.51 -0.54 -0.72 -1.08 0.00 0.00 178.15 176.71 3f4n s TYR 24 N -2.89 3.22 0.37 2.19 -0.85 -1.26 -3.89 117.35 114.23 3f4n s TYR 24 Ca 0.01 0.00 -0.25 0.00 -0.52 0.00 0.00 57.07 56.31 3f4n s TYR 24 Cb 0.08 -1.54 -0.09 0.00 0.38 0.00 0.00 41.96 40.79 3f4n s TYR 24 CO 0.78 0.52 1.03 -1.25 -1.52 0.00 0.00 175.55 175.11 3f4n s PRO 25 N -3.18 4.32 -0.22 -3.49 0.04 -1.26 -4.38 135.00 126.83 3f4n s PRO 25 Ca 0.32 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 3f4n s PRO 25 Cb -0.10 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3f4n s PRO 25 CO 0.25 -0.00 0.36 0.34 0.04 0.00 0.00 177.00 177.98 3f4n s ASP 26 N -1.51 6.36 0.40 6.66 -1.08 -1.25 -4.49 116.67 121.76 3f4n s ASP 26 Ca 0.55 0.42 0.16 0.00 -0.52 0.00 0.00 52.55 53.15 3f4n s ASP 26 Cb -0.22 -2.21 1.03 0.00 -1.46 0.00 0.00 42.92 40.06 3f4n s ASP 26 CO 0.28 -0.07 1.85 -0.65 0.52 0.00 0.00 175.17 177.10 3f4n h PRO 27 N 7.52 0.45 -0.96 4.34 0.11 -1.90 -2.12 132.00 139.44 3f4n h PRO 27 Ca -0.36 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.75 3f4n h PRO 27 Cb 1.16 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3f4n h PRO 27 CO 0.70 0.30 0.63 0.28 -0.21 0.00 0.00 178.00 179.70 3f4n h VAL 28 N 0.46 1.20 0.16 3.15 2.07 -1.93 0.37 116.25 121.73 3f4n h VAL 28 Ca 0.48 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3f4n h VAL 28 Cb 1.11 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3f4n h VAL 28 CO -0.20 0.23 -0.08 -0.61 0.02 0.00 0.00 177.57 176.93 3f4n h GLN 29 N 1.25 -0.21 -1.00 1.57 4.15 -1.81 -3.03 115.11 116.02 3f4n h GLN 29 Ca 0.37 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.96 3f4n h GLN 29 Cb -0.05 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.59 3f4n h GLN 29 CO -0.10 0.07 0.62 0.00 -1.93 0.00 0.00 178.83 177.49 3f4n h ALA 30 N 0.29 1.62 -0.12 3.38 0.00 -1.13 -0.49 119.26 122.82 3f4n h ALA 30 Ca -0.02 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3f4n h ALA 30 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3f4n h ALA 30 CO 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 179.25 179.34 3f4n h ALA 31 N 1.59 0.08 -0.67 0.00 0.00 -0.90 -0.40 119.26 118.97 3f4n h ALA 31 Ca 0.53 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.58 3f4n h ALA 31 Cb 0.70 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 3f4n h ALA 31 CO -0.31 -0.48 0.29 0.74 0.00 0.00 0.00 179.25 179.49 3f4n h PHE 32 N 0.01 0.52 -0.32 0.00 -1.00 -0.98 -0.75 116.94 114.41 3f4n h PHE 32 Ca 0.06 0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.74 3f4n h PHE 32 Cb 0.08 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 3f4n h PHE 32 CO -0.16 0.16 -0.31 0.82 -1.61 0.00 0.00 178.31 177.21 3f4n h ILE 33 N 0.50 1.28 -0.07 -0.55 2.04 -1.01 -2.15 117.51 117.56 3f4n h ILE 33 Ca 0.34 -1.44 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 3f4n h ILE 33 Cb 0.39 1.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3f4n h ILE 33 CO -0.30 0.47 -0.48 0.00 0.00 0.00 0.00 178.15 177.84 3f4n h ALA 34 N 1.07 0.15 -0.23 1.87 0.00 -0.72 -2.22 119.26 119.18 3f4n h ALA 34 Ca 0.07 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.49 3f4n h ALA 34 Cb 0.82 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3f4n h ALA 34 CO 0.07 0.33 0.08 0.93 0.00 0.00 0.00 179.25 180.66 3f4n h GLU 35 N -0.01 0.19 0.00 0.00 5.08 -1.09 0.18 114.58 118.92 3f4n h GLU 35 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3f4n h GLU 35 Cb 1.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3f4n h GLU 35 CO 0.10 0.12 0.00 1.04 -1.00 0.00 0.00 179.01 179.27 3f4n n GLN 36 N -5.03 0.40 -0.07 2.33 6.02 -0.81 -2.25 117.38 117.96 3f4n n GLN 36 Ca -0.02 0.03 0.09 0.00 -0.01 0.00 0.00 57.00 57.10 3f4n n GLN 36 Cb 0.08 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 29.96 3f4n n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f4n n ALA 37 N -1.27 2.42 0.00 -1.58 0.00 -0.67 -4.94 120.51 114.48 3f4n n ALA 37 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3f4n n ALA 37 Cb 0.21 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3f4n n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f4n n GLY 38 N 1.07 1.76 3.79 0.00 0.00 -0.91 -3.43 105.19 107.46 3f4n n GLY 38 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3f4n n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4n s ALA 39 N -2.00 3.08 -1.93 4.61 0.00 0.53 -4.80 121.76 121.26 3f4n s ALA 39 Ca 0.00 0.64 0.17 0.00 0.00 0.00 0.00 51.96 52.77 3f4n s ALA 39 Cb 0.00 -3.25 0.21 0.00 0.00 0.00 0.00 23.12 20.08 3f4n s ALA 39 CO 0.00 -0.14 1.11 -0.25 0.00 0.00 0.00 175.76 176.49 3f4n n ASP 40 N -0.09 2.63 -3.56 0.00 8.00 0.22 -4.56 116.55 119.19 3f4n n ASP 40 Ca 0.05 -1.77 -0.09 0.00 0.71 0.00 0.00 54.79 53.69 3f4n n ASP 40 Cb 0.50 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 3f4n n ASP 40 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3f4n s GLY 41 N -1.30 -0.32 -0.12 0.44 0.00 -1.15 -4.19 107.32 100.68 3f4n s GLY 41 Ca 0.23 1.69 -0.01 0.00 0.00 0.00 0.00 44.72 46.64 3f4n s GLY 41 CO 0.22 0.76 -0.10 -0.42 0.00 0.00 0.00 173.10 173.56 3f4n s ILE 42 N -1.89 3.40 -0.11 0.90 -1.09 -0.84 -0.61 121.20 120.95 3f4n s ILE 42 Ca 0.02 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3f4n s ILE 42 Cb -0.01 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 3f4n s ILE 42 CO -0.03 0.53 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.20 3f4n s THR 43 N 0.05 3.10 0.02 2.92 2.01 -0.18 -0.45 115.64 123.10 3f4n s THR 43 Ca -0.03 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3f4n s THR 43 Cb -0.14 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 3f4n s THR 43 CO 0.04 0.54 -0.11 0.68 -0.69 0.00 0.00 174.62 175.08 3f4n s VAL 44 N 0.02 0.85 -0.35 3.82 -7.23 -0.57 -2.49 120.40 114.45 3f4n s VAL 44 Ca -0.04 -0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 3f4n s VAL 44 Cb -0.14 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.08 3f4n s VAL 44 CO 0.04 0.06 0.12 -2.28 -0.31 0.00 0.00 175.10 172.73 3f4n s HIS 45 N -0.59 3.27 -0.45 2.82 2.46 -1.26 0.75 115.29 122.29 3f4n s HIS 45 Ca 0.01 -1.46 -0.26 0.00 0.47 0.00 0.00 55.06 53.82 3f4n s HIS 45 Cb -0.06 -2.35 0.03 0.00 -0.13 0.00 0.00 32.58 30.07 3f4n s HIS 45 CO 0.00 -0.74 0.96 -1.17 -2.47 0.00 0.00 174.74 171.32 3f4n s LEU 46 N 1.40 3.94 0.39 8.88 2.96 -0.02 -4.35 118.68 131.88 3f4n s LEU 46 Ca -0.01 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.10 3f4n s LEU 46 Cb -0.20 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 3f4n s LEU 46 CO 0.03 -1.05 0.69 -0.13 -1.32 0.00 0.00 176.35 174.57 3f4n s ARG 47 N 3.82 3.64 0.21 1.98 0.52 -1.26 -4.43 118.95 123.43 3f4n s ARG 47 Ca 0.39 0.18 -0.09 0.00 -0.52 0.00 0.00 55.73 55.69 3f4n s ARG 47 Cb -0.10 -2.48 0.22 0.00 0.52 0.00 0.00 34.95 33.11 3f4n s ARG 47 CO 0.26 -0.00 1.83 1.49 0.02 0.00 0.00 175.30 178.90 3f4n h GLU 48 N 1.01 0.76 -0.03 3.54 4.81 -1.97 -2.23 114.58 120.47 3f4n h GLU 48 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3f4n h GLU 48 Cb 1.20 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3f4n h GLU 48 CO 0.64 0.50 0.00 -0.40 -0.73 0.00 0.00 179.01 179.02 3f4n n ASP 49 N -4.72 0.31 -3.71 1.04 5.68 -1.26 -4.90 116.55 108.99 3f4n n ASP 49 Ca 0.08 -1.50 -0.27 0.00 -0.50 0.00 0.00 54.79 52.60 3f4n n ASP 49 Cb 0.13 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 3f4n n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3f4n n ARG 50 N -0.57 -2.36 -0.20 0.11 3.00 -0.84 -4.83 116.66 110.98 3f4n n ARG 50 Ca 0.14 0.25 0.01 0.00 -0.01 0.00 0.00 57.85 58.23 3f4n n ARG 50 Cb 0.11 -4.88 0.10 0.00 0.00 0.00 0.00 32.46 27.80 3f4n n ARG 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3f4n h ARG 51 N -0.81 0.19 0.00 5.56 2.43 -1.91 -3.43 114.38 116.42 3f4n h ARG 51 Ca -0.42 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3f4n h ARG 51 Cb 1.28 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3f4n h ARG 51 CO 0.58 0.13 0.00 -2.39 -1.51 0.00 0.00 179.97 176.78 3f4n n HIS 52 N -5.19 0.00 -1.74 2.20 1.44 -1.26 -4.79 115.22 105.89 3f4n n HIS 52 Ca 0.09 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.38 3f4n n HIS 52 Cb 0.33 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.42 3f4n n HIS 52 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3f4n n ILE 53 N -0.46 0.76 -3.80 0.61 2.08 -1.26 -4.75 119.36 112.54 3f4n n ILE 53 Ca 0.00 -0.19 -0.24 0.00 0.56 0.00 0.00 62.75 62.88 3f4n n ILE 53 Cb 0.00 -1.98 -0.02 0.00 -0.75 0.00 0.00 39.64 36.89 3f4n n ILE 53 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3f4n s THR 54 N 0.30 1.99 0.34 1.39 -4.23 -1.26 -4.45 115.64 109.71 3f4n s THR 54 Ca 0.67 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3f4n s THR 54 Cb -0.50 -2.45 0.25 0.00 1.34 0.00 0.00 72.50 71.15 3f4n s THR 54 CO 0.44 0.00 1.99 0.44 -0.54 0.00 0.00 174.62 176.95 3f4n h ASP 55 N 0.87 0.76 -0.52 3.99 3.32 -1.96 -2.31 116.42 120.57 3f4n h ASP 55 Ca -0.38 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3f4n h ASP 55 Cb 1.29 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3f4n h ASP 55 CO 0.58 0.57 0.34 -0.09 -1.72 0.00 0.00 179.24 178.92 3f4n h ARG 56 N 0.88 0.69 -0.71 3.56 2.43 -1.99 -1.38 114.38 117.86 3f4n h ARG 56 Ca 0.23 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3f4n h ARG 56 Cb -0.06 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 3f4n h ARG 56 CO -0.05 0.46 0.28 -0.44 -1.51 0.00 0.00 179.97 178.72 3f4n h ASP 57 N 0.70 0.98 -0.26 -3.80 3.45 -1.82 -1.47 116.42 114.20 3f4n h ASP 57 Ca 0.19 -0.17 -0.20 0.00 0.43 0.00 0.00 57.03 57.28 3f4n h ASP 57 Cb -0.07 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.45 3f4n h ASP 57 CO -0.04 0.88 -0.60 0.58 -1.57 0.00 0.00 179.24 178.49 3f4n h VAL 58 N 1.01 1.27 -0.31 -1.35 2.07 -1.35 0.16 116.25 117.75 3f4n h VAL 58 Ca 0.24 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.98 3f4n h VAL 58 Cb 0.21 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3f4n h VAL 58 CO -0.02 0.58 0.20 -0.09 0.02 0.00 0.00 177.57 178.26 3f4n h ARG 59 N 0.65 0.39 -0.01 1.57 2.43 -0.80 -2.00 114.38 116.60 3f4n h ARG 59 Ca -0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3f4n h ARG 59 Cb 1.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 3f4n h ARG 59 CO 0.13 0.26 -0.10 0.82 -1.51 0.00 0.00 179.97 179.56 3f4n h ILE 60 N 0.40 1.55 -0.83 1.20 2.04 -1.27 -3.20 117.51 117.39 3f4n h ILE 60 Ca 0.12 -1.75 0.19 0.00 1.00 0.00 0.00 64.86 64.42 3f4n h ILE 60 Cb -0.02 2.68 -0.15 0.00 -0.74 0.00 0.00 36.82 38.58 3f4n h ILE 60 CO -0.04 0.47 -0.02 -0.07 0.00 0.00 0.00 178.15 178.49 3f4n h LEU 61 N -0.59 -0.44 -2.07 1.44 3.38 -0.94 0.49 115.31 116.58 3f4n h LEU 61 Ca -0.01 0.22 0.10 0.00 0.09 0.00 0.00 57.88 58.28 3f4n h LEU 61 Cb 0.82 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3f4n h LEU 61 CO 0.02 -0.23 0.34 -0.09 0.09 0.00 0.00 178.44 178.57 3f4n h ARG 62 N 0.07 0.00 -0.01 1.13 9.65 -1.35 0.44 114.38 124.31 3f4n h ARG 62 Ca 0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.34 3f4n h ARG 62 Cb 0.83 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 3f4n h ARG 62 CO -0.76 0.00 -0.66 1.04 2.80 0.00 0.00 179.97 182.40 3f4n n GLN 63 N -3.84 0.50 -0.01 0.20 6.02 0.16 -4.51 117.38 115.90 3f4n n GLN 63 Ca 0.05 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 3f4n n GLN 63 Cb 0.50 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.25 3f4n n GLN 63 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f4n n THR 64 N -0.91 0.06 -1.84 5.09 -2.24 0.11 -5.00 114.28 109.54 3f4n n THR 64 Ca 0.07 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3f4n n THR 64 Cb 0.38 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3f4n n THR 64 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3f4n s ILE 65 N -2.14 2.35 -0.42 2.28 1.01 0.11 -4.88 121.20 119.50 3f4n s ILE 65 Ca -0.01 0.25 0.22 0.00 0.00 0.00 0.00 60.65 61.11 3f4n s ILE 65 Cb 0.01 -3.16 -0.28 0.00 0.01 0.00 0.00 42.46 39.04 3f4n s ILE 65 CO 0.11 0.02 0.67 0.00 0.00 0.00 0.00 174.94 175.74 3f4n n GLN 66 N 4.00 0.39 0.00 2.79 6.02 -1.26 -4.86 117.38 124.46 3f4n n GLN 66 Ca 0.15 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3f4n n GLN 66 Cb 0.37 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.11 3f4n n GLN 66 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3f4n n THR 67 N -1.96 0.00 -3.91 5.09 -2.24 -1.26 -5.12 114.28 104.87 3f4n n THR 67 Ca -0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3f4n n THR 67 Cb 0.47 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 3f4n n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3f4n s ARG 68 N 1.93 0.08 -0.02 -0.78 0.52 -1.26 -5.05 118.95 114.36 3f4n s ARG 68 Ca 0.00 -0.09 -0.21 0.00 -0.52 0.00 0.00 55.73 54.91 3f4n s ARG 68 Cb 0.00 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.39 3f4n s ARG 68 CO 0.00 0.01 0.60 1.41 0.02 0.00 0.00 175.30 177.33 3f4n s MET 69 N -0.18 4.33 -0.45 3.54 -2.45 -1.26 -1.99 119.30 120.84 3f4n s MET 69 Ca -0.02 0.72 -0.08 0.00 -1.25 0.00 0.00 55.69 55.07 3f4n s MET 69 Cb -0.01 -3.36 0.11 0.00 1.25 0.00 0.00 34.83 32.81 3f4n s MET 69 CO -0.00 0.31 0.29 1.21 1.05 0.00 0.00 175.02 177.88 3f4n s ASN 70 N 0.01 5.59 -0.57 1.11 2.47 0.40 -1.77 114.94 122.18 3f4n s ASN 70 Ca 0.31 -1.85 -0.26 0.00 0.42 0.00 0.00 52.86 51.48 3f4n s ASN 70 Cb -0.18 -1.96 0.04 0.00 -1.45 0.00 0.00 41.25 37.69 3f4n s ASN 70 CO 0.17 -0.63 1.08 -0.22 -3.72 0.00 0.00 177.10 173.78 3f4n s LEU 71 N 1.33 3.75 -0.02 3.21 2.96 0.36 -1.51 118.68 128.76 3f4n s LEU 71 Ca 0.05 -0.14 -0.22 0.00 -0.22 0.00 0.00 54.13 53.61 3f4n s LEU 71 Cb -0.25 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 3f4n s LEU 71 CO -0.01 -1.38 0.63 -1.61 -1.32 0.00 0.00 176.35 172.66 3f4n s GLU 72 N 4.51 4.37 0.05 1.98 2.02 0.23 -2.05 118.70 129.81 3f4n s GLU 72 Ca 0.37 0.79 -0.27 0.00 0.02 0.00 0.00 54.97 55.88 3f4n s GLU 72 Cb -0.10 -3.38 0.09 0.00 0.10 0.00 0.00 34.13 30.84 3f4n s GLU 72 CO 0.22 0.27 0.76 0.00 0.02 0.00 0.00 175.26 176.52 3f4n s MET 73 N 0.14 1.02 0.70 1.61 0.23 -0.39 -0.84 119.30 121.75 3f4n s MET 73 Ca 0.33 -0.29 -0.13 0.00 -1.03 0.00 0.00 55.69 54.58 3f4n s MET 73 Cb -0.18 0.47 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 3f4n s MET 73 CO 0.18 -0.43 1.08 0.00 -2.03 0.00 0.00 175.02 173.82 3f4n s ALA 74 N -3.05 2.47 -1.11 3.16 0.00 -1.26 -2.29 121.76 119.69 3f4n s ALA 74 Ca 0.01 0.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.11 3f4n s ALA 74 Cb -0.01 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.95 3f4n s ALA 74 CO -0.08 -1.38 1.44 0.08 0.00 0.00 0.00 175.76 175.81 3f4n s VAL 75 N -2.71 4.41 0.12 0.00 1.01 -1.26 -4.71 120.40 117.25 3f4n s VAL 75 Ca 0.62 -1.65 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3f4n s VAL 75 Cb -0.17 -4.99 -0.04 0.00 0.00 0.00 0.00 36.38 31.17 3f4n s VAL 75 CO 0.49 -1.79 -0.02 0.42 0.00 0.00 0.00 175.10 174.20 3f4n s THR 76 N 3.50 0.54 0.10 3.92 -4.23 -1.26 -5.05 115.64 113.16 3f4n s THR 76 Ca 0.44 -1.93 -0.22 0.00 -1.18 0.00 0.00 61.69 58.80 3f4n s THR 76 Cb -0.01 -1.84 -0.11 0.00 1.34 0.00 0.00 72.50 71.88 3f4n s THR 76 CO -0.03 -0.71 1.74 0.44 -0.54 0.00 0.00 174.62 175.51 3f4n h ASP 77 N 2.90 0.00 -0.68 3.99 3.32 -2.00 -1.29 116.42 122.67 3f4n h ASP 77 Ca -0.35 0.01 0.15 0.00 0.02 0.00 0.00 57.03 56.86 3f4n h ASP 77 Cb 1.18 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3f4n h ASP 77 CO 0.63 0.02 0.46 -0.08 -1.72 0.00 0.00 179.24 178.55 3f4n h GLU 78 N 0.05 0.25 0.14 3.56 4.81 -1.97 -1.28 114.58 120.14 3f4n h GLU 78 Ca 0.03 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.93 3f4n h GLU 78 Cb 0.03 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3f4n h GLU 78 CO -0.05 0.16 -1.62 0.52 -0.73 0.00 0.00 179.01 177.30 3f4n h MET 79 N 0.26 0.29 -0.88 1.92 2.86 -1.73 -2.55 114.93 115.10 3f4n h MET 79 Ca 0.33 -0.50 0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3f4n h MET 79 Cb 0.93 0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 3f4n h MET 79 CO -0.07 1.16 0.55 0.28 1.06 0.00 0.00 176.91 179.88 3f4n h VAL 80 N 0.08 1.03 -0.38 -2.22 2.07 -1.02 -0.32 116.25 115.49 3f4n h VAL 80 Ca -0.28 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3f4n h VAL 80 Cb 2.04 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3f4n h VAL 80 CO 0.16 0.18 0.23 -0.78 0.02 0.00 0.00 177.57 177.38 3f4n h ASP 81 N 0.98 0.37 0.68 0.57 3.58 -1.23 -0.73 116.42 120.64 3f4n h ASP 81 Ca 0.39 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 3f4n h ASP 81 Cb 0.20 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.17 3f4n h ASP 81 CO -0.18 0.27 -0.33 0.40 -2.88 0.00 0.00 179.24 176.52 3f4n h ILE 82 N 0.46 0.23 -0.70 2.25 1.08 -1.01 -2.56 117.51 117.26 3f4n h ILE 82 Ca 0.15 -0.20 0.15 0.00 -0.39 0.00 0.00 64.86 64.56 3f4n h ILE 82 Cb -0.01 0.28 -0.11 0.00 -3.07 0.00 0.00 36.82 33.92 3f4n h ILE 82 CO -0.06 0.02 0.14 0.00 -0.69 0.00 0.00 178.15 177.55 3f4n h ALA 83 N -0.88 0.85 0.00 1.87 0.00 -1.03 0.23 119.26 120.31 3f4n h ALA 83 Ca -0.09 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3f4n h ALA 83 Cb 0.74 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3f4n h ALA 83 CO 0.15 -0.34 -0.15 0.00 0.00 0.00 0.00 179.25 178.92 3f4n h ASP 85 N 0.00 0.46 1.00 0.00 3.58 -0.65 -3.36 116.42 117.45 3f4n h ASP 85 Ca -0.00 -0.75 -0.19 0.00 0.42 0.00 0.00 57.03 56.50 3f4n h ASP 85 Cb 0.61 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 3f4n h ASP 85 CO 0.02 1.65 -0.91 0.40 -2.88 0.00 0.00 179.24 177.51 3f4n h ILE 86 N 0.08 1.61 -6.49 2.25 2.04 -0.51 -3.49 117.51 113.00 3f4n h ILE 86 Ca -0.33 -3.17 -0.44 0.00 1.00 0.00 0.00 64.86 61.92 3f4n h ILE 86 Cb 2.06 2.73 0.02 0.00 -0.74 0.00 0.00 36.82 40.88 3f4n h ILE 86 CO 0.15 0.89 -0.90 0.29 0.00 0.00 0.00 178.15 178.58 3f4n n LYS 87 N -3.39 -1.10 -1.39 2.37 5.02 0.15 -4.98 118.16 114.83 3f4n n LYS 87 Ca 0.00 0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 56.60 3f4n n LYS 87 Cb 0.88 -3.25 0.13 0.00 -0.02 0.00 0.00 35.03 32.78 3f4n n LYS 87 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3f4n s PRO 88 N -5.59 1.26 0.21 1.97 0.04 -1.26 -4.96 135.00 126.66 3f4n s PRO 88 Ca 0.25 0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.84 3f4n s PRO 88 Cb -0.11 -1.83 0.16 0.00 0.04 0.00 0.00 34.50 32.75 3f4n s PRO 88 CO 0.89 -2.17 1.50 1.25 0.04 0.00 0.00 177.00 178.51 3f4n h HIS 89 N -1.49 0.42 -3.97 0.56 2.76 -1.76 -3.43 115.15 108.24 3f4n h HIS 89 Ca -0.50 -0.17 -0.36 0.00 -2.20 0.00 0.00 60.37 57.14 3f4n h HIS 89 Cb 1.30 -0.07 -0.28 0.00 1.55 0.00 0.00 27.41 29.91 3f4n h HIS 89 CO 0.36 0.88 -0.77 -0.06 -1.30 0.00 0.00 177.93 177.05 3f4n s PHE 90 N -3.70 0.66 -0.06 5.26 0.40 -0.73 -1.95 117.98 117.86 3f4n s PHE 90 Ca -0.05 -0.14 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 3f4n s PHE 90 Cb 0.11 -0.42 -0.02 0.00 0.51 0.00 0.00 43.02 43.20 3f4n s PHE 90 CO 0.82 -0.01 -0.19 0.00 0.70 0.00 0.00 175.22 176.53 3f4n s LEU 93 N 1.36 4.40 0.01 0.00 1.43 -0.11 -1.27 118.68 124.50 3f4n s LEU 93 Ca 0.01 1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 54.03 3f4n s LEU 93 Cb -0.17 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.30 3f4n s LEU 93 CO -0.03 0.15 0.18 0.68 0.23 0.00 0.00 176.35 177.55 3f4n s VAL 94 N -0.26 0.09 0.42 -1.59 -7.23 -0.97 -1.36 120.40 109.50 3f4n s VAL 94 Ca 0.27 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.53 3f4n s VAL 94 Cb -0.17 -0.65 -0.09 0.00 0.56 0.00 0.00 36.38 36.04 3f4n s VAL 94 CO 0.14 -0.41 0.87 -2.16 -0.31 0.00 0.00 175.10 173.23 3f4n s PRO 95 N -1.84 3.99 0.00 4.82 0.04 -1.26 -4.04 135.00 136.72 3f4n s PRO 95 Ca -0.11 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.75 3f4n s PRO 95 Cb -0.05 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3f4n s PRO 95 CO -0.00 -0.06 0.00 0.39 0.04 0.00 0.00 177.00 177.37 3f4n n GLU 96 N -0.99 4.19 -4.14 4.56 1.02 -1.26 -4.96 120.64 119.06 3f4n n GLU 96 Ca 0.05 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.94 3f4n n GLU 96 Cb 0.54 -0.63 -0.06 0.00 -0.02 0.00 0.00 31.44 31.27 3f4n n GLU 96 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3f4n s LYS 97 N -0.57 2.73 0.35 3.49 1.02 -1.26 -5.03 119.74 120.47 3f4n s LYS 97 Ca 0.00 -1.00 0.03 0.00 0.02 0.00 0.00 55.97 55.02 3f4n s LYS 97 Cb 0.00 -2.52 0.67 0.00 -0.52 0.00 0.00 37.83 35.46 3f4n s LYS 97 CO 0.00 0.45 1.99 -0.09 -0.92 0.00 0.00 175.35 176.78 3f4n h ARG 98 N 2.27 0.81 0.00 1.68 2.43 -1.98 -2.14 114.38 117.44 3f4n h ARG 98 Ca -0.47 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3f4n h ARG 98 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3f4n h ARG 98 CO 0.61 0.53 0.00 1.04 -1.51 0.00 0.00 179.97 180.64 3f4n n GLN 99 N -4.45 0.22 -0.01 0.20 1.13 -1.26 -3.47 117.38 109.74 3f4n n GLN 99 Ca 0.08 0.07 0.09 0.00 -1.94 0.00 0.00 57.00 55.30 3f4n n GLN 99 Cb 0.11 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 28.83 3f4n n GLN 99 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3f4n n GLU 100 N -1.37 0.69 -3.59 -1.09 1.02 -0.81 -4.96 120.64 110.54 3f4n n GLU 100 Ca 0.09 -0.10 -0.34 0.00 -0.02 0.00 0.00 57.16 56.79 3f4n n GLU 100 Cb 0.23 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.17 3f4n n GLU 100 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3f4n s VAL 101 N -3.09 5.10 0.55 2.62 0.11 -1.20 -0.58 120.40 123.91 3f4n s VAL 101 Ca -0.01 0.39 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 3f4n s VAL 101 Cb 0.13 -3.64 -0.06 0.00 -1.53 0.00 0.00 36.38 31.28 3f4n s VAL 101 CO 0.79 0.24 1.00 0.42 -3.33 0.00 0.00 175.10 174.22 3f4n s THR 102 N -1.45 4.49 0.59 5.04 -4.23 -0.94 -4.76 115.64 114.39 3f4n s THR 102 Ca 0.35 1.09 0.33 0.00 -1.18 0.00 0.00 61.69 62.28 3f4n s THR 102 Cb -0.14 -3.72 0.49 0.00 1.34 0.00 0.00 72.50 70.48 3f4n s THR 102 CO 0.19 -0.78 1.39 0.71 -0.54 0.00 0.00 174.62 175.59 3f4n h THR 103 N 0.54 0.02 0.00 3.99 1.35 -1.96 -2.20 112.91 114.65 3f4n h THR 103 Ca -0.46 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.10 3f4n h THR 103 Cb 1.19 0.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.57 3f4n h THR 103 CO 0.61 0.00 -2.25 1.21 -0.25 0.00 0.00 175.52 174.84 3f4n n GLU 104 N -3.45 0.90 0.00 4.72 2.13 -1.26 -5.01 120.64 118.66 3f4n n GLU 104 Ca 0.29 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3f4n n GLU 104 Cb 1.65 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 31.88 3f4n n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f4n n GLY 105 N 1.79 2.90 3.68 8.31 0.00 -0.83 -4.90 105.19 116.15 3f4n n GLY 105 Ca -0.28 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 3f4n n GLY 105 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f4n s GLY 106 N 0.00 1.81 0.18 -0.02 0.00 -1.26 -4.67 107.32 103.35 3f4n s GLY 106 Ca 0.00 0.65 -0.31 0.00 0.00 0.00 0.00 44.72 45.06 3f4n s GLY 106 CO 0.00 1.06 1.49 -2.27 0.00 0.00 0.00 173.10 173.38 3f4n s LEU 107 N -6.36 4.38 -1.04 0.66 2.96 0.16 -2.21 118.68 117.23 3f4n s LEU 107 Ca 0.68 2.56 -0.23 0.00 -0.22 0.00 0.00 54.13 56.92 3f4n s LEU 107 Cb -0.24 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.85 3f4n s LEU 107 CO 0.56 -0.74 1.72 -0.62 -1.32 0.00 0.00 176.35 175.94 3f4n s ASP 108 N 0.91 5.91 0.01 3.68 3.68 0.25 -4.70 116.67 126.41 3f4n s ASP 108 Ca 0.66 -1.35 -0.18 0.00 2.13 0.00 0.00 52.55 53.80 3f4n s ASP 108 Cb -0.41 -2.57 -0.31 0.00 -1.45 0.00 0.00 42.92 38.18 3f4n s ASP 108 CO 0.34 -2.07 1.01 0.58 0.13 0.00 0.00 175.17 175.16 3f4n h VAL 109 N 6.71 1.38 -0.28 1.11 2.07 -1.90 -3.24 116.25 122.11 3f4n h VAL 109 Ca 0.20 -2.49 0.03 0.00 0.82 0.00 0.00 66.70 65.27 3f4n h VAL 109 Cb 0.98 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 3f4n h VAL 109 CO 1.33 0.73 0.19 0.00 0.02 0.00 0.00 177.57 179.84 3f4n h ALA 110 N 0.19 1.98 -0.17 1.67 0.00 -1.86 -0.54 119.26 120.53 3f4n h ALA 110 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3f4n h ALA 110 Cb 1.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3f4n h ALA 110 CO 0.20 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3f4n n GLY 111 N -1.53 1.08 1.92 0.00 0.00 -1.25 -4.10 105.19 101.31 3f4n n GLY 111 Ca 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 3f4n n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f4n n GLN 112 N 1.18 1.35 -0.18 1.61 6.02 -0.26 -4.96 117.38 122.14 3f4n n GLN 112 Ca 0.17 -3.03 -0.00 0.00 -0.01 0.00 0.00 57.00 54.13 3f4n n GLN 112 Cb 0.55 -1.12 0.24 0.00 1.02 0.00 0.00 30.24 30.93 3f4n n GLN 112 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3f4n h VAL 113 N 4.96 1.20 -0.33 5.09 3.04 -1.56 -1.46 116.25 127.19 3f4n h VAL 113 Ca -0.08 -0.48 -0.10 0.00 -1.01 0.00 0.00 66.70 65.03 3f4n h VAL 113 Cb 1.50 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 3f4n h VAL 113 CO 0.21 0.22 -0.22 0.44 -1.01 0.00 0.00 177.57 177.20 3f4n h ASP 114 N 0.93 0.64 -0.37 3.17 5.19 -1.93 -0.81 116.42 123.24 3f4n h ASP 114 Ca 0.24 -0.22 -0.14 0.00 -0.62 0.00 0.00 57.03 56.28 3f4n h ASP 114 Cb 0.01 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 3f4n h ASP 114 CO -0.04 0.86 -0.31 0.50 -3.12 0.00 0.00 179.24 177.13 3f4n h LYS 115 N 0.56 0.90 -0.27 3.56 3.64 -1.71 -2.62 116.57 120.63 3f4n h LYS 115 Ca 0.08 -0.43 -0.10 0.00 -1.27 0.00 0.00 60.65 58.93 3f4n h LYS 115 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3f4n h LYS 115 CO 0.05 1.08 -0.22 0.52 -2.27 0.00 0.00 179.45 178.61 3f4n h MET 116 N 0.76 0.63 -0.76 1.90 2.86 -1.08 -1.97 114.93 117.27 3f4n h MET 116 Ca 0.08 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.41 3f4n h MET 116 Cb 0.88 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 3f4n h MET 116 CO 0.08 0.91 0.50 1.15 1.06 0.00 0.00 176.91 180.62 3f4n h THR 117 N 0.36 1.19 0.43 2.22 2.02 -1.15 0.32 112.91 118.31 3f4n h THR 117 Ca 0.05 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3f4n h THR 117 Cb 0.77 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3f4n h THR 117 CO 0.06 0.19 -0.21 0.25 0.37 0.00 0.00 175.52 176.18 3f4n h LEU 118 N 1.03 -0.49 -0.31 2.58 5.85 -1.34 -1.87 115.31 120.76 3f4n h LEU 118 Ca 0.28 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3f4n h LEU 118 Cb -0.12 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 3f4n h LEU 118 CO -0.06 -0.16 -0.42 0.00 -0.34 0.00 0.00 178.44 177.46 3f4n h ALA 119 N -0.42 -0.47 0.18 1.25 0.00 -1.26 -1.62 119.26 116.91 3f4n h ALA 119 Ca -0.06 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3f4n h ALA 119 Cb 0.56 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3f4n h ALA 119 CO 0.10 -0.88 -0.39 0.28 0.00 0.00 0.00 179.25 178.35 3f4n h VAL 120 N -0.38 0.20 -0.78 0.00 2.07 -0.29 -2.31 116.25 114.76 3f4n h VAL 120 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 3f4n h VAL 120 Cb 0.59 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3f4n h VAL 120 CO -0.51 0.00 0.48 1.23 0.02 0.00 0.00 177.57 178.79 3f4n h GLY 121 N -0.67 1.14 0.46 2.17 0.00 -1.15 -0.29 103.07 104.74 3f4n h GLY 121 Ca 0.01 -0.35 0.14 0.00 0.00 0.00 0.00 47.33 47.13 3f4n h GLY 121 CO -0.20 0.26 0.61 3.21 0.00 0.00 0.00 176.54 180.42 3f4n h ARG 122 N 0.90 0.83 0.07 4.80 -0.00 -1.04 0.24 114.38 120.18 3f4n h ARG 122 Ca 0.33 -0.05 -0.25 0.00 -0.50 0.00 0.00 59.98 59.51 3f4n h ARG 122 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 29.88 3f4n h ARG 122 CO -0.15 0.55 -1.18 -0.07 0.00 0.00 0.00 179.97 179.12 3f4n h LEU 123 N 0.85 0.22 -0.04 3.04 3.38 -0.56 -3.28 115.31 118.91 3f4n h LEU 123 Ca 0.49 -0.25 -0.23 0.00 0.09 0.00 0.00 57.88 57.97 3f4n h LEU 123 Cb 0.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3f4n h LEU 123 CO -0.25 1.20 -1.06 0.00 0.09 0.00 0.00 178.44 178.42 3f4n h ALA 124 N 0.77 0.30 -1.28 1.53 0.00 -0.56 -2.77 119.26 117.26 3f4n h ALA 124 Ca -0.10 -0.83 0.37 0.00 0.00 0.00 0.00 54.91 54.35 3f4n h ALA 124 Cb 1.89 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.56 3f4n h ALA 124 CO 0.16 1.01 0.90 -0.44 0.00 0.00 0.00 179.25 180.88 3f4n h ASP 125 N 0.08 0.10 -0.12 0.00 3.32 -0.60 0.48 116.42 119.67 3f4n h ASP 125 Ca -0.07 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3f4n h ASP 125 Cb 1.76 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.32 3f4n h ASP 125 CO 0.16 -0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.20 3f4n n VAL 126 N -4.27 1.34 -0.04 -1.35 0.31 -1.22 -4.98 118.33 108.12 3f4n n VAL 126 Ca 0.29 -1.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.25 3f4n n VAL 126 Cb 1.30 0.25 0.00 0.00 -0.91 0.00 0.00 33.84 34.49 3f4n n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f4n n GLY 127 N -0.43 0.50 3.77 2.92 0.00 0.16 -5.04 105.19 107.07 3f4n n GLY 127 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3f4n n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f4n s ILE 128 N -2.09 2.93 -0.26 -0.61 1.01 -1.05 -5.00 121.20 116.15 3f4n s ILE 128 Ca 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 60.65 61.27 3f4n s ILE 128 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 3f4n s ILE 128 CO 0.00 0.01 0.16 -0.76 0.00 0.00 0.00 174.94 174.36 3f4n s LEU 129 N -2.95 4.01 -0.15 2.97 1.43 -0.82 -4.15 118.68 119.03 3f4n s LEU 129 Ca 0.63 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3f4n s LEU 129 Cb -0.31 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3f4n s LEU 129 CO 0.38 0.01 0.08 -0.69 0.23 0.00 0.00 176.35 176.36 3f4n s VAL 130 N 1.39 4.95 -0.06 -1.59 1.01 -1.26 -1.52 120.40 123.32 3f4n s VAL 130 Ca 0.07 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.11 3f4n s VAL 130 Cb -0.15 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3f4n s VAL 130 CO 0.07 0.53 -0.21 -0.55 0.00 0.00 0.00 175.10 174.94 3f4n s SER 131 N -0.27 3.39 -0.25 3.32 0.15 0.15 -2.09 113.70 118.10 3f4n s SER 131 Ca 0.09 -0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.22 3f4n s SER 131 Cb -0.12 -0.90 -0.05 0.00 -1.71 0.00 0.00 66.02 63.24 3f4n s SER 131 CO 0.01 0.26 0.15 -0.76 1.20 0.00 0.00 173.24 174.11 3f4n s LEU 132 N -0.25 3.96 -0.54 3.45 1.43 -0.34 -0.94 118.68 125.46 3f4n s LEU 132 Ca -0.00 0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 3f4n s LEU 132 Cb -0.13 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.05 3f4n s LEU 132 CO 0.03 0.01 0.95 0.12 0.23 0.00 0.00 176.35 177.69 3f4n s PHE 133 N 1.37 2.81 0.22 0.29 5.99 -0.47 -1.22 117.98 126.97 3f4n s PHE 133 Ca 0.07 0.05 0.06 0.00 0.00 0.00 0.00 56.93 57.11 3f4n s PHE 133 Cb -0.15 -4.07 -0.05 0.00 0.00 0.00 0.00 43.02 38.75 3f4n s PHE 133 CO 0.07 -1.32 -0.09 0.96 -0.00 0.00 0.00 175.22 174.84 3f4n s ILE 134 N 3.95 1.48 0.79 3.12 -4.36 -0.68 0.36 121.20 125.85 3f4n s ILE 134 Ca 0.32 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.47 3f4n s ILE 134 Cb -0.12 -2.16 0.07 0.00 1.25 0.00 0.00 42.46 41.50 3f4n s ILE 134 CO 0.20 -0.51 1.10 -1.81 0.24 0.00 0.00 174.94 174.16 3f4n s ASP 135 N -3.32 4.31 -0.45 4.36 1.01 -1.26 -0.42 116.67 120.90 3f4n s ASP 135 Ca 0.24 1.84 -0.05 0.00 0.71 0.00 0.00 52.55 55.29 3f4n s ASP 135 Cb 0.02 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.34 3f4n s ASP 135 CO 0.07 -2.16 2.20 0.00 0.21 0.00 0.00 175.17 175.49 3f4n n ALA 136 N -3.61 4.38 -4.01 5.23 0.00 -1.26 -4.78 120.51 116.47 3f4n n ALA 136 Ca 0.09 -1.51 -0.33 0.00 0.00 0.00 0.00 53.44 51.69 3f4n n ALA 136 Cb 0.53 -2.63 -0.15 0.00 0.00 0.00 0.00 19.45 17.19 3f4n n ALA 136 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3f4n s ASP 137 N 2.90 3.57 0.41 0.00 -1.08 -1.26 -4.68 116.67 116.52 3f4n s ASP 137 Ca 0.39 -0.76 0.21 0.00 -0.52 0.00 0.00 52.55 51.87 3f4n s ASP 137 Cb 0.14 -1.54 1.19 0.00 -1.46 0.00 0.00 42.92 41.26 3f4n s ASP 137 CO -0.02 -0.04 1.74 -0.26 0.52 0.00 0.00 175.17 177.11 3f4n h PHE 138 N 7.94 0.61 -0.52 -5.34 0.04 -1.96 -1.45 116.94 116.25 3f4n h PHE 138 Ca -0.40 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.27 3f4n h PHE 138 Cb 1.12 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 3f4n h PHE 138 CO 0.52 -0.00 -0.14 -0.09 -0.60 0.00 0.00 178.31 177.99 3f4n h ARG 139 N 0.31 1.02 -0.60 1.51 2.43 -1.97 -2.64 114.38 114.44 3f4n h ARG 139 Ca 0.64 -0.40 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3f4n h ARG 139 Cb 1.76 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.23 3f4n h ARG 139 CO -0.32 1.08 0.06 1.96 -1.51 0.00 0.00 179.97 181.25 3f4n h GLN 140 N 0.89 1.02 -0.09 0.20 1.08 -1.64 -2.52 115.11 114.05 3f4n h GLN 140 Ca 0.13 -0.29 0.04 0.00 -1.45 0.00 0.00 58.65 57.07 3f4n h GLN 140 Cb 0.72 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.00 3f4n h GLN 140 CO 0.05 0.98 -0.14 0.82 -0.95 0.00 0.00 178.83 179.59 3f4n h ILE 141 N 0.92 0.63 -1.00 2.54 2.04 -1.42 -0.24 117.51 120.98 3f4n h ILE 141 Ca 0.18 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.27 3f4n h ILE 141 Cb 0.47 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 3f4n h ILE 141 CO 0.02 0.00 0.63 0.44 0.00 0.00 0.00 178.15 179.24 3f4n h ASP 142 N -0.19 0.59 0.58 1.72 3.32 -1.44 -1.84 116.42 119.16 3f4n h ASP 142 Ca 0.08 0.09 -0.19 0.00 0.02 0.00 0.00 57.03 57.03 3f4n h ASP 142 Cb 0.30 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3f4n h ASP 142 CO -0.21 0.16 -0.84 0.00 -1.72 0.00 0.00 179.24 176.63 3f4n h ALA 143 N 1.65 0.57 -0.31 3.45 0.00 -0.64 -1.78 119.26 122.19 3f4n h ALA 143 Ca 0.58 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3f4n h ALA 143 Cb 1.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3f4n h ALA 143 CO -0.34 0.90 0.19 0.00 0.00 0.00 0.00 179.25 180.00 3f4n h ALA 144 N 1.02 0.39 -0.11 0.00 0.00 -0.67 0.54 119.26 120.42 3f4n h ALA 144 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3f4n h ALA 144 Cb 1.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 3f4n h ALA 144 CO 0.13 -0.11 -0.14 0.28 0.00 0.00 0.00 179.25 179.40 3f4n h VAL 145 N 0.40 0.62 -0.80 0.00 2.07 -1.31 -0.56 116.25 116.67 3f4n h VAL 145 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 3f4n h VAL 145 Cb 0.00 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3f4n h VAL 145 CO -0.02 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.09 3f4n h ALA 146 N 0.87 1.81 0.00 1.67 0.00 -0.92 0.28 119.26 122.98 3f4n h ALA 146 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3f4n h ALA 146 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3f4n h ALA 146 CO -0.22 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.04 3f4n h ALA 147 N 1.61 1.00 0.00 0.00 0.00 0.10 -3.47 119.26 118.50 3f4n h ALA 147 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3f4n h ALA 147 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3f4n h ALA 147 CO -0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.51 3f4n n GLY 148 N 0.01 0.46 3.74 0.00 0.00 0.99 -4.51 105.19 105.89 3f4n n GLY 148 Ca 0.01 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 3f4n n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4n s ALA 149 N -2.00 3.38 -0.38 4.61 0.00 -1.06 -4.95 121.76 121.36 3f4n s ALA 149 Ca 0.00 0.83 0.22 0.00 0.00 0.00 0.00 51.96 53.01 3f4n s ALA 149 Cb 0.00 -3.36 0.30 0.00 0.00 0.00 0.00 23.12 20.06 3f4n s ALA 149 CO 0.00 -0.24 1.58 -1.00 0.00 0.00 0.00 175.76 176.11 3f4n h PRO 150 N 5.18 0.00 -6.50 0.00 0.14 -1.89 -3.43 132.00 125.49 3f4n h PRO 150 Ca -0.44 0.00 -0.66 0.00 0.14 0.00 0.00 66.00 65.04 3f4n h PRO 150 Cb 1.21 0.00 -0.26 0.00 0.14 0.00 0.00 31.00 32.09 3f4n h PRO 150 CO 0.73 0.10 -0.87 0.71 0.14 0.00 0.00 178.00 178.81 3f4n s TYR 151 N -3.17 2.14 0.24 1.56 2.02 -0.89 -1.30 117.35 117.95 3f4n s TYR 151 Ca 0.06 -0.40 0.11 0.00 -0.37 0.00 0.00 57.07 56.48 3f4n s TYR 151 Cb 0.06 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3f4n s TYR 151 CO 0.68 0.11 -0.21 0.96 -1.57 0.00 0.00 175.55 175.52 3f4n s ILE 152 N -0.79 2.35 -0.28 2.71 -4.36 -0.55 -1.20 121.20 119.10 3f4n s ILE 152 Ca 0.10 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 3f4n s ILE 152 Cb -0.10 -2.19 0.06 0.00 1.25 0.00 0.00 42.46 41.48 3f4n s ILE 152 CO 0.02 -0.30 -0.07 -0.70 0.24 0.00 0.00 174.94 174.13 3f4n s GLU 153 N -3.15 2.29 0.04 0.37 2.12 -0.36 -0.90 118.70 119.12 3f4n s GLU 153 Ca 0.25 -1.33 -0.31 0.00 0.36 0.00 0.00 54.97 53.95 3f4n s GLU 153 Cb -0.06 -3.00 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 3f4n s GLU 153 CO 0.12 -0.60 1.48 0.42 -0.54 0.00 0.00 175.26 176.15 3f4n s ILE 154 N 1.15 3.41 -0.41 -3.70 1.01 0.68 -1.69 121.20 121.66 3f4n s ILE 154 Ca -0.07 0.86 -0.27 0.00 0.00 0.00 0.00 60.65 61.17 3f4n s ILE 154 Cb -0.20 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3f4n s ILE 154 CO -0.04 0.01 1.98 -2.28 0.00 0.00 0.00 174.94 174.61 3f4n s HIS 155 N 2.28 1.56 -1.96 3.97 5.65 0.43 -2.44 115.29 124.77 3f4n s HIS 155 Ca 0.67 0.81 0.06 0.00 0.25 0.00 0.00 55.06 56.86 3f4n s HIS 155 Cb -0.35 -4.00 0.19 0.00 -1.18 0.00 0.00 32.58 27.24 3f4n s HIS 155 CO 0.29 -2.87 1.15 0.25 -0.65 0.00 0.00 174.74 172.90 3f4n n THR 156 N 7.51 0.30 -0.18 0.89 -2.24 -0.80 -4.45 114.28 115.31 3f4n n THR 156 Ca 0.25 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.66 3f4n n THR 156 Cb 0.49 0.12 0.06 0.00 -2.10 0.00 0.00 70.33 68.90 3f4n n THR 156 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3f4n h GLY 157 N 5.51 1.07 1.27 3.38 0.00 -1.77 0.30 103.07 112.83 3f4n h GLY 157 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 47.33 46.40 3f4n h GLY 157 CO 0.00 0.73 -0.33 0.00 0.00 0.00 0.00 176.54 176.94 3f4n h ALA 158 N 1.05 0.73 -0.64 3.60 0.00 -1.90 -1.79 119.26 120.31 3f4n h ALA 158 Ca 0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3f4n h ALA 158 Cb 0.57 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3f4n h ALA 158 CO 0.03 0.66 0.27 -0.92 0.00 0.00 0.00 179.25 179.30 3f4n h TYR 159 N 0.69 0.96 -0.66 0.00 5.03 -1.66 -2.79 116.97 118.54 3f4n h TYR 159 Ca 0.07 -0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.36 3f4n h TYR 159 Cb 0.88 -0.29 -0.05 0.00 1.55 0.00 0.00 36.73 38.82 3f4n h TYR 159 CO 0.05 0.75 0.39 0.00 -1.32 0.00 0.00 178.16 178.03 3f4n h ALA 160 N 1.12 0.87 0.00 1.82 0.00 -0.15 -2.53 119.26 120.38 3f4n h ALA 160 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3f4n h ALA 160 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3f4n h ALA 160 CO -0.02 0.11 -0.12 -0.25 0.00 0.00 0.00 179.25 178.97 3f4n n ASP 161 N -4.74 0.45 -4.36 0.00 8.00 -0.70 -4.88 116.55 110.32 3f4n n ASP 161 Ca 0.07 0.42 -0.55 0.00 0.71 0.00 0.00 54.79 55.44 3f4n n ASP 161 Cb 0.12 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 3f4n n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f4n n ALA 162 N -1.65 0.68 0.03 2.24 0.00 -0.96 -4.81 120.51 116.04 3f4n n ALA 162 Ca 0.06 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 3f4n n ALA 162 Cb 0.39 -2.33 -0.09 0.00 0.00 0.00 0.00 19.45 17.42 3f4n n ALA 162 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3f4n h SER 163 N 10.87 -0.12 -3.22 0.00 0.02 -1.91 -3.45 113.55 115.75 3f4n h SER 163 Ca -0.19 -0.44 -0.45 0.00 -0.84 0.00 0.00 61.79 59.87 3f4n h SER 163 Cb 1.37 0.03 0.07 0.00 0.14 0.00 0.00 62.40 64.01 3f4n h SER 163 CO 1.06 0.44 0.14 0.42 -1.14 0.00 0.00 176.83 177.76 3f4n s THR 164 N -3.62 2.36 -0.08 -2.27 -4.23 -1.26 -5.01 115.64 101.53 3f4n s THR 164 Ca -0.14 -0.41 -0.18 0.00 -1.18 0.00 0.00 61.69 59.77 3f4n s THR 164 Cb 0.01 -2.95 -0.14 0.00 1.34 0.00 0.00 72.50 70.75 3f4n s THR 164 CO 0.56 0.00 0.65 0.58 -0.54 0.00 0.00 174.62 175.87 3f4n h VAL 165 N -0.44 0.83 -0.98 2.29 2.07 -2.00 -3.03 116.25 115.00 3f4n h VAL 165 Ca -0.43 -1.34 0.18 0.00 0.82 0.00 0.00 66.70 65.93 3f4n h VAL 165 Cb 1.30 1.48 -0.17 0.00 -1.52 0.00 0.00 31.29 32.38 3f4n h VAL 165 CO 0.55 0.25 -0.31 0.18 0.02 0.00 0.00 177.57 178.25 3f4n n LEU 166 N -4.83 -0.49 -0.25 2.57 4.77 -1.26 0.87 117.00 118.38 3f4n n LEU 166 Ca -0.07 1.70 0.05 0.00 -0.03 0.00 0.00 56.01 57.66 3f4n n LEU 166 Cb 0.25 -0.46 0.18 0.00 -2.33 0.00 0.00 43.42 41.06 3f4n n LEU 166 CO 0.21 -1.58 0.99 -0.33 -1.33 0.00 0.00 177.39 175.35 3f4n h GLU 167 N 0.00 0.38 -0.06 3.23 5.08 -1.97 -1.80 114.58 119.44 3f4n h GLU 167 Ca 0.41 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 3f4n h GLU 167 Cb 0.66 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3f4n h GLU 167 CO -1.00 0.25 -0.32 -0.09 -1.00 0.00 0.00 179.01 176.86 3f4n h ARG 168 N 0.39 0.32 0.00 2.33 2.43 0.61 -1.67 114.38 118.79 3f4n h ARG 168 Ca 0.40 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3f4n h ARG 168 Cb 0.62 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3f4n h ARG 168 CO -0.42 0.91 -0.23 -0.56 -1.51 0.00 0.00 179.97 178.16 3f4n h GLN 169 N -0.19 0.00 0.32 0.20 3.07 -1.27 -1.02 115.11 116.21 3f4n h GLN 169 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 3f4n h GLN 169 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.54 3f4n h GLN 169 CO 0.07 0.23 -0.15 0.00 0.09 0.00 0.00 178.83 179.07 3f4n h ALA 170 N 1.77 -0.42 -0.40 0.06 0.00 -1.22 0.54 119.26 119.58 3f4n h ALA 170 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3f4n h ALA 170 Cb 0.42 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3f4n h ALA 170 CO 0.03 -0.55 0.13 0.93 0.00 0.00 0.00 179.25 179.79 3f4n h GLU 171 N -0.80 0.58 0.12 0.00 4.39 -1.18 -0.69 114.58 117.01 3f4n h GLU 171 Ca -0.04 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3f4n h GLU 171 Cb 0.51 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3f4n h GLU 171 CO 0.07 0.51 -0.06 1.25 -1.16 0.00 0.00 179.01 179.62 3f4n h LEU 172 N 0.57 -0.14 -0.67 1.33 5.85 -1.24 -1.47 115.31 119.55 3f4n h LEU 172 Ca 0.14 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.78 3f4n h LEU 172 Cb 0.17 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.11 3f4n h LEU 172 CO -0.01 0.13 -0.23 -0.03 -0.34 0.00 0.00 178.44 177.96 3f4n h MET 173 N -0.41 -0.05 -0.68 1.25 4.05 0.17 0.42 114.93 119.68 3f4n h MET 173 Ca -0.02 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 3f4n h MET 173 Cb 0.33 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 3f4n h MET 173 CO 0.03 -0.03 0.45 -0.09 0.23 0.00 0.00 176.91 177.49 3f4n h ARG 174 N -0.05 0.85 -0.07 0.39 2.43 -1.09 -1.29 114.38 115.55 3f4n h ARG 174 Ca 0.30 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3f4n h ARG 174 Cb 0.53 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3f4n h ARG 174 CO -0.71 0.56 -0.35 0.82 -1.51 0.00 0.00 179.97 178.78 3f4n h ILE 175 N 0.88 1.42 -0.84 1.20 2.04 0.32 -2.89 117.51 119.62 3f4n h ILE 175 Ca 0.26 -1.75 0.02 0.00 1.00 0.00 0.00 64.86 64.39 3f4n h ILE 175 Cb -0.03 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 3f4n h ILE 175 CO -0.06 0.51 0.55 0.00 0.00 0.00 0.00 178.15 179.14 3f4n h ALA 176 N 0.43 1.09 -0.12 1.87 0.00 0.13 -2.37 119.26 120.29 3f4n h ALA 176 Ca -0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3f4n h ALA 176 Cb 1.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3f4n h ALA 176 CO 0.07 0.42 -0.21 0.87 0.00 0.00 0.00 179.25 180.41 3f4n h LYS 177 N 1.10 0.36 -0.99 0.00 1.57 -1.33 -2.77 116.57 114.51 3f4n h LYS 177 Ca 0.32 -0.22 0.21 0.00 -1.87 0.00 0.00 60.65 59.09 3f4n h LYS 177 Cb -0.06 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.18 3f4n h LYS 177 CO -0.09 0.81 0.62 0.00 -0.57 0.00 0.00 179.45 180.21 3f4n h ALA 178 N 0.55 1.86 -0.22 3.86 0.00 -1.42 -2.08 119.26 121.81 3f4n h ALA 178 Ca 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3f4n h ALA 178 Cb 0.78 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3f4n h ALA 178 CO 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 179.25 179.10 3f4n h ALA 179 N 1.64 0.29 -0.29 0.00 0.00 -1.15 0.48 119.26 120.23 3f4n h ALA 179 Ca 0.56 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 3f4n h ALA 179 Cb 1.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3f4n h ALA 179 CO -0.33 -0.03 -0.53 1.15 0.00 0.00 0.00 179.25 179.51 3f4n h THR 180 N 0.16 1.28 0.48 0.00 2.02 -1.34 -1.90 112.91 113.60 3f4n h THR 180 Ca 0.07 -1.72 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 3f4n h THR 180 Cb 0.33 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3f4n h THR 180 CO 0.01 0.56 -0.23 0.22 0.37 0.00 0.00 175.52 176.45 3f4n h TYR 181 N 0.65 -0.60 -0.95 3.16 5.03 -1.23 -1.65 116.97 121.39 3f4n h TYR 181 Ca 0.02 -0.01 0.18 0.00 2.58 0.00 0.00 58.73 61.50 3f4n h TYR 181 Cb 1.13 0.20 -0.18 0.00 1.55 0.00 0.00 36.73 39.43 3f4n h TYR 181 CO 0.07 -0.37 -0.27 0.00 -1.32 0.00 0.00 178.16 176.27 3f4n h ALA 182 N -1.21 0.51 -0.55 1.82 0.00 -0.07 0.41 119.26 120.18 3f4n h ALA 182 Ca -0.07 0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3f4n h ALA 182 Cb 0.49 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3f4n h ALA 182 CO 0.11 -0.44 0.33 0.00 0.00 0.00 0.00 179.25 179.25 3f4n h ALA 183 N 1.81 0.70 -0.04 0.00 0.00 -1.40 -1.80 119.26 118.53 3f4n h ALA 183 Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.34 3f4n h ALA 183 Cb 0.67 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3f4n h ALA 183 CO -0.97 0.06 0.11 0.78 0.00 0.00 0.00 179.25 179.22 3f4n h GLY 184 N 0.66 0.00 -0.78 0.00 0.00 0.82 0.40 103.07 104.17 3f4n h GLY 184 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3f4n h GLY 184 CO -0.09 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.73 3f4n n LYS 185 N -3.33 1.80 -0.58 4.80 5.02 -0.79 -4.94 118.16 120.13 3f4n n LYS 185 Ca -0.02 -1.16 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 3f4n n LYS 185 Cb 0.18 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3f4n n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f4n n GLY 186 N 1.21 0.66 3.82 0.72 0.00 0.14 -5.07 105.19 106.67 3f4n n GLY 186 Ca 0.18 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3f4n n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f4n s LEU 187 N 0.00 4.38 0.38 0.99 1.43 -0.75 -4.99 118.68 120.13 3f4n s LEU 187 Ca 0.00 1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 54.13 3f4n s LEU 187 Cb 0.00 -3.35 -0.09 0.00 0.03 0.00 0.00 46.19 42.78 3f4n s LEU 187 CO 0.00 0.10 1.08 -0.54 0.23 0.00 0.00 176.35 177.22 3f4n s LYS 188 N -1.80 4.21 -0.18 1.70 3.01 -0.42 -3.78 119.74 122.48 3f4n s LYS 188 Ca 0.39 1.61 0.01 0.00 -1.01 0.00 0.00 55.97 56.97 3f4n s LYS 188 Cb -0.17 -2.66 0.03 0.00 -1.01 0.00 0.00 37.83 34.02 3f4n s LYS 188 CO 0.20 -0.13 -0.17 0.08 0.51 0.00 0.00 175.35 175.85 3f4n s VAL 189 N -1.54 1.87 0.51 3.17 1.01 -1.26 -1.48 120.40 122.68 3f4n s VAL 189 Ca 0.56 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3f4n s VAL 189 Cb -0.25 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3f4n s VAL 189 CO 0.32 0.44 0.25 0.20 0.00 0.00 0.00 175.10 176.31 3f4n s ASN 190 N 1.35 4.46 -0.01 3.32 0.01 -0.08 0.16 114.94 124.15 3f4n s ASN 190 Ca 0.04 -1.32 -0.28 0.00 -0.71 0.00 0.00 52.86 50.59 3f4n s ASN 190 Cb -0.14 0.25 0.09 0.00 0.41 0.00 0.00 41.25 41.86 3f4n s ASN 190 CO -0.11 -0.92 0.76 0.00 -1.51 0.00 0.00 177.10 175.32 3f4n s ALA 191 N -2.76 -1.77 0.00 0.60 0.00 -1.14 -0.23 121.76 116.46 3f4n s ALA 191 Ca 0.28 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3f4n s ALA 191 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 3f4n s ALA 191 CO 0.17 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3f4n n GLY 192 N 0.35 1.37 0.00 0.00 0.00 -1.02 -1.57 105.19 104.32 3f4n n GLY 192 Ca -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3f4n n GLY 192 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3f4n n HIS 193 N -0.37 0.00 -0.87 1.61 -0.00 -1.25 -1.91 115.22 112.44 3f4n n HIS 193 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3f4n n HIS 193 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3f4n n HIS 193 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3f4n n GLY 194 N 2.49 0.85 3.77 1.57 0.00 -1.26 -3.04 105.19 109.57 3f4n n GLY 194 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3f4n n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f4n s LEU 195 N 0.00 4.28 0.20 0.99 1.43 -1.26 -4.81 118.68 119.50 3f4n s LEU 195 Ca 0.00 2.44 0.01 0.00 -1.03 0.00 0.00 54.13 55.54 3f4n s LEU 195 Cb 0.00 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 3f4n s LEU 195 CO 0.00 -0.61 0.06 0.42 0.23 0.00 0.00 176.35 176.45 3f4n s THR 196 N -1.32 0.44 -0.88 5.49 -4.23 -1.26 -4.41 115.64 109.48 3f4n s THR 196 Ca 0.54 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.13 3f4n s THR 196 Cb -0.33 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.24 3f4n s THR 196 CO 0.43 -0.26 1.17 -1.22 -0.54 0.00 0.00 174.62 174.19 3f4n n TYR 197 N -0.29 0.12 0.63 3.99 4.02 -1.26 -1.92 117.16 122.45 3f4n n TYR 197 Ca -0.03 0.06 0.06 0.00 -0.01 0.00 0.00 57.90 57.98 3f4n n TYR 197 Cb 0.65 -0.59 -0.06 0.00 -0.02 0.00 0.00 39.34 39.31 3f4n n TYR 197 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3f4n n HIS 198 N -1.62 0.00 -0.51 -0.72 8.25 -1.26 -4.53 115.22 114.83 3f4n n HIS 198 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3f4n n HIS 198 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3f4n n HIS 198 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3f4n n ASN 199 N -1.03 0.91 -0.16 0.41 2.04 -1.08 -4.86 115.26 111.49 3f4n n ASN 199 Ca 0.03 -1.42 -0.10 0.00 -0.44 0.00 0.00 54.58 52.65 3f4n n ASN 199 Cb 0.23 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.48 3f4n n ASN 199 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 3f4n h VAL 200 N 1.39 1.27 -0.16 3.53 -1.51 -1.62 -3.39 116.25 115.76 3f4n h VAL 200 Ca 0.00 -1.15 0.04 0.00 -1.23 0.00 0.00 66.70 64.37 3f4n h VAL 200 Cb 0.68 1.06 -0.05 0.00 -2.13 0.00 0.00 31.29 30.86 3f4n h VAL 200 CO 0.00 0.40 -0.13 -0.61 -1.23 0.00 0.00 177.57 175.99 3f4n h GLN 201 N 0.71 -0.14 0.00 5.19 4.15 -1.89 0.30 115.11 123.43 3f4n h GLN 201 Ca 0.13 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3f4n h GLN 201 Cb 0.58 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.30 3f4n h GLN 201 CO 0.03 -0.09 0.00 -2.30 -1.93 0.00 0.00 178.83 174.54 3f4n n PRO 202 N -5.28 0.13 0.07 -2.39 -0.02 -1.26 -2.01 135.00 124.23 3f4n n PRO 202 Ca -0.03 0.50 -0.23 0.00 -2.02 0.00 0.00 63.50 61.73 3f4n n PRO 202 Cb 0.20 -1.82 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 3f4n n PRO 202 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3f4n h ILE 203 N 0.00 0.91 -0.96 4.25 2.04 -0.73 -3.38 117.51 119.64 3f4n h ILE 203 Ca 0.00 -2.50 0.09 0.00 1.00 0.00 0.00 64.86 63.45 3f4n h ILE 203 Cb 0.16 2.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.91 3f4n h ILE 203 CO 0.00 0.86 0.62 0.00 0.00 0.00 0.00 178.15 179.63 3f4n h ALA 204 N 0.11 1.50 -0.06 1.87 0.00 -0.50 -3.01 119.26 119.17 3f4n h ALA 204 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3f4n h ALA 204 Cb 2.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3f4n h ALA 204 CO 0.17 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3f4n n ALA 205 N -2.38 2.58 -2.13 0.00 0.00 -0.85 -4.74 120.51 113.00 3f4n n ALA 205 Ca 0.16 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 3f4n n ALA 205 Cb 0.26 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3f4n n ALA 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f4n s LEU 206 N -1.75 4.19 0.63 0.00 1.43 -1.14 -3.72 118.68 118.31 3f4n s LEU 206 Ca 0.35 1.97 0.41 0.00 -1.03 0.00 0.00 54.13 55.83 3f4n s LEU 206 Cb 0.18 -3.53 2.10 0.00 0.03 0.00 0.00 46.19 44.97 3f4n s LEU 206 CO 0.29 -0.97 2.25 -0.65 0.23 0.00 0.00 176.35 177.50 3f4n h PRO 207 N 9.51 0.00 0.00 1.29 0.11 -1.91 -2.01 132.00 138.99 3f4n h PRO 207 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3f4n h PRO 207 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3f4n h PRO 207 CO 0.97 0.00 -0.50 0.39 -0.21 0.00 0.00 178.00 178.65 3f4n n GLU 208 N -3.07 0.26 -2.16 1.05 4.71 -1.26 -4.81 120.64 115.36 3f4n n GLU 208 Ca -0.02 0.10 -0.42 0.00 -0.01 0.00 0.00 57.16 56.81 3f4n n GLU 208 Cb 0.14 -1.69 -0.03 0.00 -1.01 0.00 0.00 31.44 28.86 3f4n n GLU 208 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 3f4n s MET 209 N -3.14 4.34 -0.27 3.49 -1.94 -0.76 -4.24 119.30 116.79 3f4n s MET 209 Ca 0.07 2.11 -0.11 0.00 -1.71 0.00 0.00 55.69 56.06 3f4n s MET 209 Cb 0.14 -3.20 -0.12 0.00 2.01 0.00 0.00 34.83 33.66 3f4n s MET 209 CO 0.69 -0.35 -0.33 1.58 -0.01 0.00 0.00 175.02 176.60 3f4n n HIS 210 N 3.08 0.00 -3.79 -0.03 -0.00 0.41 -4.89 115.22 110.00 3f4n n HIS 210 Ca 0.08 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.13 3f4n n HIS 210 Cb 0.42 -0.96 -0.14 0.00 -0.12 0.00 0.00 29.99 29.18 3f4n n HIS 210 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 3f4n s GLU 211 N -2.49 0.08 -0.20 1.57 2.12 -1.25 -2.26 118.70 116.26 3f4n s GLU 211 Ca -0.37 0.25 -0.12 0.00 0.36 0.00 0.00 54.97 55.09 3f4n s GLU 211 Cb 0.13 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 3f4n s GLU 211 CO 0.49 -0.11 0.24 -0.51 -0.54 0.00 0.00 175.26 174.83 3f4n s LEU 212 N 0.73 4.19 -0.37 2.70 1.43 0.19 -2.90 118.68 124.64 3f4n s LEU 212 Ca -0.06 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 3f4n s LEU 212 Cb -0.08 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.89 3f4n s LEU 212 CO -0.03 0.08 0.26 0.20 0.23 0.00 0.00 176.35 177.09 3f4n s ASN 213 N 0.68 6.00 -0.04 2.29 0.01 -0.61 -0.38 114.94 122.88 3f4n s ASN 213 Ca 0.13 -0.73 0.04 0.00 -0.71 0.00 0.00 52.86 51.59 3f4n s ASN 213 Cb -0.13 -2.12 -0.00 0.00 0.41 0.00 0.00 41.25 39.41 3f4n s ASN 213 CO 0.03 -0.35 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.48 3f4n s ILE 214 N 1.67 1.37 0.00 0.60 1.01 -0.89 -3.76 121.20 121.20 3f4n s ILE 214 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3f4n s ILE 214 Cb -0.18 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3f4n s ILE 214 CO 0.09 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.04 3f4n n GLY 215 N 3.17 0.12 0.32 6.18 0.00 -1.26 -0.38 105.19 113.34 3f4n n GLY 215 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3f4n n GLY 215 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3f4n h HIS 216 N 0.00 0.91 0.00 1.61 -0.00 -1.90 0.06 115.15 115.83 3f4n h HIS 216 Ca 0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.26 3f4n h HIS 216 Cb 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 3f4n h HIS 216 CO 0.00 0.33 -0.68 0.00 -0.00 0.00 0.00 177.93 177.58 3f4n h ALA 217 N 1.51 0.77 -0.04 5.26 0.00 -1.92 0.28 119.26 125.11 3f4n h ALA 217 Ca 0.44 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3f4n h ALA 217 Cb 0.49 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3f4n h ALA 217 CO -0.29 0.85 -0.31 0.82 0.00 0.00 0.00 179.25 180.32 3f4n h ILE 218 N 0.00 1.46 -0.96 0.00 2.04 -1.35 -2.69 117.51 116.01 3f4n h ILE 218 Ca -0.01 -1.81 0.07 0.00 1.00 0.00 0.00 64.86 64.12 3f4n h ILE 218 Cb 1.28 2.48 -0.07 0.00 -0.74 0.00 0.00 36.82 39.78 3f4n h ILE 218 CO 0.09 0.51 0.62 0.40 0.00 0.00 0.00 178.15 179.77 3f4n h ILE 219 N -0.27 1.05 -0.74 -0.67 1.08 -1.01 -1.26 117.51 115.70 3f4n h ILE 219 Ca -0.03 -0.37 -0.06 0.00 -0.39 0.00 0.00 64.86 64.01 3f4n h ILE 219 Cb 1.00 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.60 3f4n h ILE 219 CO 0.06 0.20 0.24 1.23 -0.69 0.00 0.00 178.15 179.19 3f4n h GLY 220 N 1.08 1.24 1.30 5.37 0.00 -0.38 -1.34 103.07 110.34 3f4n h GLY 220 Ca 0.42 -0.72 -0.18 0.00 0.00 0.00 0.00 47.33 46.84 3f4n h GLY 220 CO -0.17 0.68 -0.60 -1.61 0.00 0.00 0.00 176.54 174.84 3f4n h GLN 221 N 1.11 0.72 -0.45 4.80 5.75 -1.37 -3.35 115.11 122.32 3f4n h GLN 221 Ca 0.24 -0.49 0.03 0.00 -0.15 0.00 0.00 58.65 58.29 3f4n h GLN 221 Cb 0.30 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 3f4n h GLN 221 CO -0.01 1.11 0.24 0.00 -2.65 0.00 0.00 178.83 177.52 3f4n h ALA 222 N 0.78 0.57 -1.01 3.38 0.00 -0.29 0.47 119.26 123.17 3f4n h ALA 222 Ca -0.00 0.01 0.25 0.00 0.00 0.00 0.00 54.91 55.16 3f4n h ALA 222 Cb 1.19 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 3f4n h ALA 222 CO 0.12 -0.10 0.65 -0.39 0.00 0.00 0.00 179.25 179.53 3f4n h VAL 223 N 0.48 0.57 0.17 0.00 -1.51 -1.41 0.27 116.25 114.82 3f4n h VAL 223 Ca 0.19 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.50 3f4n h VAL 223 Cb 0.08 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.32 3f4n h VAL 223 CO -0.12 0.08 -0.08 0.24 -1.23 0.00 0.00 177.57 176.46 3f4n h MET 224 N 0.45 -0.22 0.00 5.19 2.07 -1.42 -3.42 114.93 117.58 3f4n h MET 224 Ca 0.58 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 58.22 3f4n h MET 224 Cb 1.37 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 31.15 3f4n h MET 224 CO -0.30 0.10 0.00 0.25 1.07 0.00 0.00 176.91 178.03 3f4n n THR 225 N -4.91 0.10 0.00 2.22 -2.24 0.05 -5.08 114.28 104.41 3f4n n THR 225 Ca -0.06 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3f4n n THR 225 Cb 0.21 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3f4n n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f4n n GLY 226 N -0.05 2.90 0.35 3.38 0.00 0.06 -4.75 105.19 107.08 3f4n n GLY 226 Ca 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 46.02 44.62 3f4n n GLY 226 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3f4n h LEU 227 N 0.00 0.79 0.60 0.99 5.85 -1.92 -1.42 115.31 120.20 3f4n h LEU 227 Ca 0.00 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3f4n h LEU 227 Cb 0.00 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 40.84 3f4n h LEU 227 CO 0.00 0.56 -0.29 0.00 -0.34 0.00 0.00 178.44 178.38 3f4n h ALA 228 N 1.57 -0.80 -0.99 1.25 0.00 -1.90 -0.59 119.26 117.79 3f4n h ALA 228 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3f4n h ALA 228 Cb -0.05 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3f4n h ALA 228 CO -0.07 -0.93 0.64 0.00 0.00 0.00 0.00 179.25 178.89 3f4n h ALA 229 N -0.45 1.25 -0.60 0.00 0.00 -1.84 0.08 119.26 117.70 3f4n h ALA 229 Ca -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3f4n h ALA 229 Cb 0.63 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3f4n h ALA 229 CO 0.13 0.66 0.27 0.00 0.00 0.00 0.00 179.25 180.32 3f4n h ALA 230 N 1.35 0.78 -0.37 0.00 0.00 -0.92 0.15 119.26 120.26 3f4n h ALA 230 Ca 0.36 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3f4n h ALA 230 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3f4n h ALA 230 CO -0.07 0.37 -0.23 0.28 0.00 0.00 0.00 179.25 179.59 3f4n h VAL 231 N 0.83 1.28 0.02 0.00 2.07 -0.85 -2.10 116.25 117.52 3f4n h VAL 231 Ca 0.20 -1.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3f4n h VAL 231 Cb 0.16 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3f4n h VAL 231 CO -0.02 0.46 -0.01 0.74 0.02 0.00 0.00 177.57 178.75 3f4n h THR 232 N 0.60 1.12 -0.79 2.57 2.02 -0.75 -0.47 112.91 117.21 3f4n h THR 232 Ca 0.07 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.88 3f4n h THR 232 Cb 0.80 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.57 3f4n h THR 232 CO 0.06 0.11 0.52 0.44 0.37 0.00 0.00 175.52 177.02 3f4n h ASP 233 N -0.22 0.77 -0.22 4.18 3.32 -1.04 -0.35 116.42 122.86 3f4n h ASP 233 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3f4n h ASP 233 Cb 0.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3f4n h ASP 233 CO 0.01 0.50 -0.06 -0.03 -1.72 0.00 0.00 179.24 177.94 3f4n h MET 234 N 0.88 0.43 -0.56 3.56 4.05 -0.84 -1.65 114.93 120.79 3f4n h MET 234 Ca 0.33 -0.17 0.08 0.00 -0.28 0.00 0.00 59.70 59.66 3f4n h MET 234 Cb 0.19 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.91 3f4n h MET 234 CO -0.11 0.67 0.22 -0.22 0.23 0.00 0.00 176.91 177.70 3f4n h LYS 235 N 0.16 0.40 -0.06 0.39 1.63 -0.37 -1.96 116.57 116.76 3f4n h LYS 235 Ca 0.06 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3f4n h LYS 235 Cb 0.52 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3f4n h LYS 235 CO 0.02 0.27 0.02 0.28 -3.45 0.00 0.00 179.45 176.59 3f4n h VAL 236 N 0.42 0.98 -0.86 2.00 2.07 -1.03 -2.36 116.25 117.46 3f4n h VAL 236 Ca 0.27 -0.02 0.18 0.00 0.82 0.00 0.00 66.70 67.95 3f4n h VAL 236 Cb 0.29 0.93 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 3f4n h VAL 236 CO -0.26 0.01 0.40 -0.07 0.02 0.00 0.00 177.57 177.67 3f4n h LEU 237 N 0.05 0.42 -0.90 2.57 3.38 -0.77 -2.13 115.31 117.92 3f4n h LEU 237 Ca 0.03 0.12 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3f4n h LEU 237 Cb 0.02 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3f4n h LEU 237 CO -0.03 0.11 -0.51 0.24 0.09 0.00 0.00 178.44 178.34 3f4n h MET 238 N 0.51 0.00 -0.00 1.13 2.86 -0.88 -2.43 114.93 116.11 3f4n h MET 238 Ca 0.50 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 58.07 3f4n h MET 238 Cb 0.83 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.50 3f4n h MET 238 CO -0.44 0.51 -0.26 0.00 1.06 0.00 0.00 176.91 177.78 3f4n h ARG 239 N 0.00 0.18 -0.12 1.72 3.08 -1.17 -3.25 114.38 114.81 3f4n h ARG 239 Ca -0.01 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3f4n h ARG 239 Cb 0.97 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 3f4n h ARG 239 CO 0.07 0.93 0.11 0.93 -1.07 0.00 0.00 179.97 180.94 3f4n h GLU 240 N -0.48 0.00 -0.19 0.04 4.39 -1.30 -1.05 114.58 115.98 3f4n h GLU 240 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 3f4n h GLU 240 Cb 1.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3f4n h GLU 240 CO 0.05 0.00 -0.12 0.00 -1.16 0.00 0.00 179.01 177.78 3f4n h ALA 241 N 1.89 1.44 -0.43 3.43 0.00 -1.47 -3.09 119.26 121.03 3f4n h ALA 241 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3f4n h ALA 241 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3f4n h ALA 241 CO -0.00 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.18 3f4n n ARG 242 N -4.26 2.49 0.00 0.00 1.74 -0.41 -4.61 116.66 111.62 3f4n n ARG 242 Ca -0.00 -2.26 0.04 0.00 -0.77 0.00 0.00 57.85 54.85 3f4n n ARG 242 Cb 0.28 -1.52 0.22 0.00 -1.02 0.00 0.00 32.46 30.42 3f4n n ARG 242 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65