#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4fua s GLU 2 N 0.00 3.67 0.37 0.03 2.12 -1.26 -5.01 118.70 118.63 4fua s GLU 2 Ca 0.00 -0.51 0.20 0.00 0.36 0.00 0.00 54.97 55.02 4fua s GLU 2 Cb 0.00 -2.98 1.21 0.00 0.26 0.00 0.00 34.13 32.62 4fua s GLU 2 CO 0.00 0.18 1.65 -0.09 -0.54 0.00 0.00 175.26 176.46 4fua h ARG 3 N 6.93 0.22 -0.18 4.30 2.43 -2.03 0.50 114.38 126.56 4fua h ARG 3 Ca -0.33 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.62 4fua h ARG 3 Cb 1.19 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.69 4fua h ARG 3 CO 0.63 0.15 -0.72 -0.91 -1.51 0.00 0.00 179.97 177.61 4fua h ASN 4 N 0.23 0.90 0.60 -3.80 4.21 -1.96 -1.14 115.58 114.62 4fua h ASN 4 Ca 0.76 -0.56 -0.11 0.00 1.21 0.00 0.00 56.30 57.59 4fua h ASN 4 Cb 1.96 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 38.87 4fua h ASN 4 CO -0.55 1.36 -0.53 0.11 -1.29 0.00 0.00 177.43 176.53 4fua h LYS 5 N 0.55 0.00 -0.00 0.81 1.79 -1.37 -3.01 116.57 115.33 4fua h LYS 5 Ca -0.03 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 4fua h LYS 5 Cb 1.33 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.99 4fua h LYS 5 CO 0.15 0.53 -0.47 -0.07 -1.08 0.00 0.00 179.45 178.51 4fua h LEU 6 N 0.00 0.41 -0.77 2.94 3.38 -1.13 -3.19 115.31 116.96 4fua h LEU 6 Ca -0.01 -0.77 0.13 0.00 0.09 0.00 0.00 57.88 57.33 4fua h LEU 6 Cb 0.97 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 4fua h LEU 6 CO 0.07 1.13 0.35 0.00 0.09 0.00 0.00 178.44 180.07 4fua h ALA 7 N 0.30 1.10 -0.83 1.53 0.00 -1.19 -1.20 119.26 118.97 4fua h ALA 7 Ca -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 4fua h ALA 7 Cb 1.20 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 4fua h ALA 7 CO 0.09 -0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.65 4fua h ARG 8 N 0.52 1.15 -0.42 0.00 3.08 -1.60 -2.44 114.38 114.68 4fua h ARG 8 Ca 0.41 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 60.18 4fua h ARG 8 Cb 0.58 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 4fua h ARG 8 CO -0.36 0.85 -0.33 1.96 -1.07 0.00 0.00 179.97 181.02 4fua h GLN 9 N 1.15 0.96 -0.59 0.04 4.20 -1.32 -2.20 115.11 117.35 4fua h GLN 9 Ca 0.29 -0.47 0.04 0.00 0.06 0.00 0.00 58.65 58.57 4fua h GLN 9 Cb 0.03 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 4fua h GLN 9 CO -0.05 1.14 0.34 0.82 -0.67 0.00 0.00 178.83 180.41 4fua h ILE 10 N 0.79 1.01 -0.41 2.54 2.04 -0.93 0.40 117.51 122.95 4fua h ILE 10 Ca 0.08 -0.22 -0.15 0.00 1.00 0.00 0.00 64.86 65.56 4fua h ILE 10 Cb 0.92 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 4fua h ILE 10 CO 0.09 0.12 -0.34 0.40 0.00 0.00 0.00 178.15 178.41 4fua h ILE 11 N 0.65 1.27 -0.55 -0.67 2.04 -1.42 -2.59 117.51 116.24 4fua h ILE 11 Ca 0.25 -1.52 0.06 0.00 1.00 0.00 0.00 64.86 64.65 4fua h ILE 11 Cb 0.10 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 4fua h ILE 11 CO -0.14 0.51 0.26 0.44 0.00 0.00 0.00 178.15 179.23 4fua h ASP 12 N 0.79 0.36 -0.66 1.72 3.32 -0.78 -0.56 116.42 120.61 4fua h ASP 12 Ca 0.07 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.20 4fua h ASP 12 Cb 0.93 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 4fua h ASP 12 CO 0.09 0.24 0.40 0.74 -1.72 0.00 0.00 179.24 178.99 4fua h THR 13 N 0.50 1.05 -0.62 0.35 2.02 -0.80 0.52 112.91 115.93 4fua h THR 13 Ca 0.25 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 4fua h THR 13 Cb 0.19 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 4fua h THR 13 CO -0.19 0.14 0.21 0.00 0.37 0.00 0.00 175.52 176.05 4fua h LEU 15 N 0.90 0.73 -0.73 0.00 4.07 -0.01 -2.82 115.31 117.45 4fua h LEU 15 Ca 0.21 -0.42 -0.13 0.00 0.08 0.00 0.00 57.88 57.62 4fua h LEU 15 Cb 0.23 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 4fua h LEU 15 CO -0.01 1.17 -0.45 -0.08 -1.08 0.00 0.00 178.44 177.99 4fua h GLU 16 N 0.47 0.42 -0.35 1.13 4.57 0.39 -0.82 114.58 120.38 4fua h GLU 16 Ca -0.01 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 57.83 4fua h GLU 16 Cb 1.21 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 4fua h GLU 16 CO 0.12 0.79 -0.24 0.52 -1.18 0.00 0.00 179.01 179.02 4fua h MET 17 N 0.34 0.71 -0.28 1.92 2.86 -0.93 0.30 114.93 119.84 4fua h MET 17 Ca 0.02 -0.29 -0.16 0.00 -2.06 0.00 0.00 59.70 57.21 4fua h MET 17 Cb 0.93 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 4fua h MET 17 CO 0.08 0.88 -0.48 1.15 1.06 0.00 0.00 176.91 179.60 4fua h THR 18 N 0.62 1.29 -0.34 2.22 2.02 -1.35 0.52 112.91 117.90 4fua h THR 18 Ca 0.08 -1.68 -0.05 0.00 0.77 0.00 0.00 66.41 65.53 4fua h THR 18 Cb 0.73 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 4fua h THR 18 CO 0.06 0.54 -0.01 -0.09 0.37 0.00 0.00 175.52 176.39 4fua h ARG 19 N 0.60 0.52 -0.00 6.66 2.43 -0.70 -2.60 114.38 121.29 4fua h ARG 19 Ca 0.03 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 4fua h ARG 19 Cb 1.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 4fua h ARG 19 CO 0.10 0.56 -0.33 1.28 -1.51 0.00 0.00 179.97 180.08 4fua n LEU 20 N -4.27 0.53 0.00 3.80 4.77 0.05 -4.94 117.00 116.94 4fua n LEU 20 Ca 0.01 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 4fua n LEU 20 Cb 0.25 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 4fua n LEU 20 CO 0.39 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 4fua n GLY 21 N 1.44 0.47 0.75 -0.72 0.00 -0.98 -4.94 105.19 101.21 4fua n GLY 21 Ca 0.08 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.29 4fua n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4fua n LEU 22 N 0.00 2.31 -3.63 0.99 4.77 0.14 -4.69 117.00 116.88 4fua n LEU 22 Ca 0.00 -0.84 -0.04 0.00 -0.03 0.00 0.00 56.01 55.11 4fua n LEU 22 Cb 0.05 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 4fua n LEU 22 CO 0.00 0.42 1.09 0.21 -1.33 0.00 0.00 177.39 177.78 4fua s ASN 23 N -1.86 -0.10 -0.09 -1.43 2.47 -1.13 -3.00 114.94 109.81 4fua s ASN 23 Ca 0.34 0.12 -0.30 0.00 0.42 0.00 0.00 52.86 53.43 4fua s ASN 23 Cb 0.20 0.09 0.09 0.00 -1.45 0.00 0.00 41.25 40.19 4fua s ASN 23 CO 0.31 -0.09 0.80 -1.58 -3.72 0.00 0.00 177.10 172.82 4fua s GLN 24 N -0.94 0.88 0.59 0.43 2.00 -1.26 -3.90 119.66 117.46 4fua s GLN 24 Ca 0.07 0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.62 4fua s GLN 24 Cb -0.01 0.42 0.00 0.00 0.80 0.00 0.00 33.01 34.21 4fua s GLN 24 CO -0.07 -0.28 0.00 0.41 -0.50 0.00 0.00 175.29 174.85 4fua n GLY 25 N 0.79 0.25 1.25 2.59 0.00 -1.26 -4.12 105.19 104.69 4fua n GLY 25 Ca -0.15 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.35 4fua n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4fua n THR 26 N 0.00 0.71 -1.58 2.61 -2.24 -1.26 -4.80 114.28 107.72 4fua n THR 26 Ca 0.00 -0.85 -0.31 0.00 -2.27 0.00 0.00 64.05 60.61 4fua n THR 26 Cb 0.00 0.79 0.05 0.00 -2.10 0.00 0.00 70.33 69.07 4fua n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 4fua s ALA 27 N -1.29 2.64 0.00 6.98 0.00 -1.26 -4.71 121.76 124.13 4fua s ALA 27 Ca 0.43 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.52 4fua s ALA 27 Cb 0.24 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.17 4fua s ALA 27 CO 0.33 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.25 4fua n GLY 28 N -1.82 -0.87 3.51 0.00 0.00 -1.26 -4.78 105.19 99.97 4fua n GLY 28 Ca 0.08 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 4fua n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4fua s ASN 29 N -2.36 -0.62 -0.00 1.61 2.20 -0.61 -4.98 114.94 110.18 4fua s ASN 29 Ca 0.00 0.57 -0.03 0.00 -0.94 0.00 0.00 52.86 52.46 4fua s ASN 29 Cb 0.00 0.53 -0.01 0.00 -2.00 0.00 0.00 41.25 39.78 4fua s ASN 29 CO 0.00 -0.65 0.05 -0.69 -2.94 0.00 0.00 177.10 172.87 4fua s VAL 30 N -1.64 0.07 0.11 3.54 1.01 -1.26 -1.19 120.40 121.03 4fua s VAL 30 Ca -0.08 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 4fua s VAL 30 Cb -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.12 4fua s VAL 30 CO 0.05 -0.30 0.24 -0.94 0.00 0.00 0.00 175.10 174.15 4fua s SER 31 N -0.93 0.06 0.10 3.32 1.04 -0.96 -1.36 113.70 114.96 4fua s SER 31 Ca -0.10 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.70 4fua s SER 31 Cb -0.06 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 4fua s SER 31 CO 0.00 -0.79 -0.13 0.68 0.98 0.00 0.00 173.24 173.98 4fua s VAL 32 N -3.88 1.17 0.05 5.02 -7.23 -0.01 -1.96 120.40 113.55 4fua s VAL 32 Ca 0.08 -1.53 -0.31 0.00 -1.81 0.00 0.00 61.98 58.42 4fua s VAL 32 Cb 0.04 -1.31 -0.06 0.00 0.56 0.00 0.00 36.38 35.62 4fua s VAL 32 CO -0.08 -0.36 1.23 -0.60 -0.31 0.00 0.00 175.10 174.98 4fua s ARG 33 N -2.29 4.41 -0.03 4.82 3.52 -0.16 -1.04 118.95 128.18 4fua s ARG 33 Ca 0.04 1.80 -0.01 0.00 -0.13 0.00 0.00 55.73 57.43 4fua s ARG 33 Cb -0.07 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 29.98 4fua s ARG 33 CO 0.02 -0.31 0.06 -0.47 -0.81 0.00 0.00 175.30 173.79 4fua s TYR 34 N 1.25 0.00 0.00 5.12 5.04 -0.87 -4.80 117.35 123.09 4fua s TYR 34 Ca 0.59 0.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 4fua s TYR 34 Cb -0.30 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 41.74 4fua s TYR 34 CO 0.28 -0.13 0.00 1.04 -1.34 0.00 0.00 175.55 175.41 4fua n GLN 35 N 4.45 0.00 0.24 4.97 6.02 -1.26 -0.66 117.38 131.14 4fua n GLN 35 Ca -0.22 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 56.88 4fua n GLN 35 Cb 0.50 0.00 0.55 0.00 1.02 0.00 0.00 30.24 32.32 4fua n GLN 35 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 4fua h ASP 36 N 3.48 0.00 0.00 1.08 2.03 -1.98 -3.44 116.42 117.59 4fua h ASP 36 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 4fua h ASP 36 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 4fua h ASP 36 CO 0.00 0.19 0.00 0.61 -1.03 0.00 0.00 179.24 179.01 4fua n GLY 37 N -0.14 1.16 3.65 7.15 0.00 0.17 -4.17 105.19 113.01 4fua n GLY 37 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 4fua n GLY 37 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 4fua s MET 38 N 2.42 1.08 -0.15 1.61 0.23 -0.73 -2.06 119.30 121.70 4fua s MET 38 Ca 0.00 -0.53 -0.02 0.00 -1.03 0.00 0.00 55.69 54.11 4fua s MET 38 Cb 0.00 0.41 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 4fua s MET 38 CO 0.00 -0.49 -0.09 -0.51 -2.03 0.00 0.00 175.02 171.91 4fua s LEU 39 N -2.77 2.90 0.02 0.18 1.43 -0.21 -1.90 118.68 118.34 4fua s LEU 39 Ca 0.09 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 4fua s LEU 39 Cb -0.01 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 4fua s LEU 39 CO -0.02 0.13 -0.04 -0.51 0.23 0.00 0.00 176.35 176.14 4fua s ILE 40 N 0.55 0.23 0.74 -0.59 2.07 -0.42 -0.83 121.20 122.93 4fua s ILE 40 Ca -0.06 -0.85 -0.15 0.00 -1.41 0.00 0.00 60.65 58.18 4fua s ILE 40 Cb -0.15 -0.33 0.04 0.00 0.13 0.00 0.00 42.46 42.15 4fua s ILE 40 CO 0.03 -0.40 1.22 0.42 -1.91 0.00 0.00 174.94 174.30 4fua s THR 41 N -1.25 2.21 0.38 4.00 -4.23 -0.47 -1.71 115.64 114.58 4fua s THR 41 Ca -0.12 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.39 4fua s THR 41 Cb -0.09 -2.70 -0.07 0.00 1.34 0.00 0.00 72.50 70.99 4fua s THR 41 CO -0.01 -0.06 0.74 -2.16 -0.54 0.00 0.00 174.62 172.60 4fua s PRO 42 N -3.89 3.79 0.01 3.99 0.04 -1.26 -1.97 135.00 135.71 4fua s PRO 42 Ca 0.75 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 4fua s PRO 42 Cb -0.30 -2.42 -0.07 0.00 0.04 0.00 0.00 34.50 31.75 4fua s PRO 42 CO 0.46 0.01 1.63 -0.08 0.04 0.00 0.00 177.00 179.06 4fua s THR 43 N -2.29 3.36 -1.28 1.26 -1.32 -0.98 -3.77 115.64 110.62 4fua s THR 43 Ca 0.51 0.65 -0.00 0.00 -1.21 0.00 0.00 61.69 61.63 4fua s THR 43 Cb -0.10 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 4fua s THR 43 CO 0.29 -0.03 0.05 0.61 -2.21 0.00 0.00 174.62 173.34 4fua n GLY 44 N 4.02 -0.25 3.17 6.08 0.00 -1.26 -4.98 105.19 111.97 4fua n GLY 44 Ca 0.16 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 4fua n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4fua s ILE 45 N -2.79 2.68 0.17 -0.61 1.01 -1.25 -5.08 121.20 115.34 4fua s ILE 45 Ca 0.03 -1.09 -0.32 0.00 0.00 0.00 0.00 60.65 59.26 4fua s ILE 45 Cb -0.01 -2.36 -0.17 0.00 0.01 0.00 0.00 42.46 39.93 4fua s ILE 45 CO 0.03 0.21 0.91 -2.65 0.00 0.00 0.00 174.94 173.45 4fua n PRO 46 N 4.63 0.61 0.03 2.79 -0.02 -1.26 -4.78 135.00 137.01 4fua n PRO 46 Ca -0.17 0.22 0.21 0.00 -2.02 0.00 0.00 63.50 61.74 4fua n PRO 46 Cb 0.47 -1.53 0.73 0.00 -0.02 0.00 0.00 33.50 33.15 4fua n PRO 46 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 4fua h TYR 47 N 2.32 0.00 0.00 6.00 -0.00 -1.96 0.31 116.97 123.63 4fua h TYR 47 Ca -0.39 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.27 4fua h TYR 47 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.11 4fua h TYR 47 CO 0.50 0.00 -0.35 0.93 -0.00 0.00 0.00 178.16 179.23 4fua h GLU 48 N 0.00 0.00 -0.28 0.10 3.07 -1.98 -3.09 114.58 112.40 4fua h GLU 48 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 4fua h GLU 48 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 4fua h GLU 48 CO -0.00 0.35 0.00 1.63 -1.40 0.00 0.00 179.01 179.59 4fua n LYS 49 N -3.38 2.28 -2.70 2.33 5.02 0.07 -4.99 118.16 116.78 4fua n LYS 49 Ca 0.01 -2.08 -0.38 0.00 -2.02 0.00 0.00 58.31 53.84 4fua n LYS 49 Cb 0.55 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 4fua n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 4fua s LEU 50 N -1.48 4.36 0.07 -0.35 1.43 -1.02 -4.98 118.68 116.71 4fua s LEU 50 Ca 0.33 1.93 -0.06 0.00 -1.03 0.00 0.00 54.13 55.30 4fua s LEU 50 Cb 0.20 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 4fua s LEU 50 CO 0.28 -0.13 0.11 0.28 0.23 0.00 0.00 176.35 177.12 4fua s THR 51 N -1.53 0.17 0.56 5.49 -1.32 -1.26 -5.04 115.64 112.70 4fua s THR 51 Ca 0.50 -1.37 0.35 0.00 -1.21 0.00 0.00 61.69 59.96 4fua s THR 51 Cb -0.21 -1.35 0.52 0.00 -1.51 0.00 0.00 72.50 69.95 4fua s THR 51 CO 0.27 -0.76 1.77 -0.33 -2.21 0.00 0.00 174.62 173.37 4fua h GLU 52 N 2.99 0.00 0.00 7.08 3.07 -1.96 0.32 114.58 126.07 4fua h GLU 52 Ca -0.34 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.51 4fua h GLU 52 Cb 1.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 4fua h GLU 52 CO 0.59 0.00 -0.06 0.77 -1.40 0.00 0.00 179.01 178.91 4fua h SER 53 N 0.00 0.00 1.10 1.42 0.02 -1.98 -3.07 113.55 111.05 4fua h SER 53 Ca 0.52 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.33 4fua h SER 53 Cb 2.21 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.73 4fua h SER 53 CO -0.01 0.06 -0.95 0.45 -1.14 0.00 0.00 176.83 175.25 4fua h HIS 54 N 0.00 0.00 -3.38 3.45 3.86 -0.77 -3.46 115.15 114.85 4fua h HIS 54 Ca -0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.66 4fua h HIS 54 Cb 0.70 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.26 4fua h HIS 54 CO 0.00 0.55 0.79 -0.89 0.86 0.00 0.00 177.93 179.24 4fua n ILE 55 N -3.07 1.37 -4.36 2.45 -0.00 -1.16 -4.36 119.36 110.22 4fua n ILE 55 Ca -0.03 -0.34 -0.33 0.00 -0.00 0.00 0.00 62.75 62.05 4fua n ILE 55 Cb 0.79 -1.87 -0.09 0.00 -0.00 0.00 0.00 39.64 38.46 4fua n ILE 55 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 4fua s VAL 56 N -0.41 4.03 -0.16 1.39 1.01 -0.69 -4.95 120.40 120.62 4fua s VAL 56 Ca 0.61 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 4fua s VAL 56 Cb -0.52 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 4fua s VAL 56 CO 0.54 0.43 -0.01 0.12 0.00 0.00 0.00 175.10 176.18 4fua s PHE 57 N -1.01 3.09 -0.09 5.22 5.36 -1.26 -1.30 117.98 127.99 4fua s PHE 57 Ca 0.17 -0.16 0.04 0.00 -0.96 0.00 0.00 56.93 56.03 4fua s PHE 57 Cb -0.11 -1.97 -0.00 0.00 -0.34 0.00 0.00 43.02 40.59 4fua s PHE 57 CO 0.08 0.06 -0.23 0.42 -1.46 0.00 0.00 175.22 174.08 4fua s ILE 58 N 0.25 1.97 0.41 3.12 1.01 -0.80 -1.90 121.20 125.26 4fua s ILE 58 Ca -0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 4fua s ILE 58 Cb -0.13 -1.70 0.09 0.00 0.01 0.00 0.00 42.46 40.73 4fua s ILE 58 CO 0.02 0.54 0.56 -0.90 0.00 0.00 0.00 174.94 175.16 4fua n ASP 59 N 3.44 0.32 0.31 3.58 5.68 -0.15 -1.77 116.55 127.95 4fua n ASP 59 Ca -0.19 -1.37 0.21 0.00 -0.50 0.00 0.00 54.79 52.94 4fua n ASP 59 Cb 0.53 -0.40 1.11 0.00 -1.14 0.00 0.00 41.12 41.22 4fua n ASP 59 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 4fua h GLY 60 N -0.57 0.00 -0.07 6.12 0.00 -1.91 -0.71 103.07 105.93 4fua h GLY 60 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 4fua h GLY 60 CO 0.15 0.00 -0.58 0.70 0.00 0.00 0.00 176.54 176.81 4fua n ASN 61 N -2.96 1.23 0.00 0.19 3.02 -1.26 -4.93 115.26 110.56 4fua n ASN 61 Ca -0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 4fua n ASN 61 Cb 0.07 0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 4fua n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 4fua n GLY 62 N 1.44 0.91 3.59 7.41 0.00 -0.27 -5.04 105.19 113.22 4fua n GLY 62 Ca 0.08 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 4fua n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4fua s LYS 63 N -0.68 3.69 0.14 1.61 3.01 -1.26 -4.78 119.74 121.47 4fua s LYS 63 Ca 0.00 0.42 -0.13 0.00 -1.01 0.00 0.00 55.97 55.25 4fua s LYS 63 Cb 0.00 -3.88 -0.07 0.00 -1.01 0.00 0.00 37.83 32.87 4fua s LYS 63 CO 0.00 -1.18 0.52 -3.38 0.51 0.00 0.00 175.35 171.82 4fua s HIS 64 N 3.86 3.59 0.41 3.18 -3.43 -1.26 -0.98 115.29 120.66 4fua s HIS 64 Ca 0.41 1.00 -0.26 0.00 -0.80 0.00 0.00 55.06 55.40 4fua s HIS 64 Cb -0.10 -2.32 -0.10 0.00 -1.43 0.00 0.00 32.58 28.63 4fua s HIS 64 CO 0.25 0.44 1.39 -0.85 -2.00 0.00 0.00 174.74 173.98 4fua n GLU 65 N 0.78 2.29 -1.21 -0.38 0.28 -0.80 -4.92 120.64 116.69 4fua n GLU 65 Ca -0.06 0.81 -0.35 0.00 -0.16 0.00 0.00 57.16 57.40 4fua n GLU 65 Cb 0.52 -2.55 0.08 0.00 1.43 0.00 0.00 31.44 30.92 4fua n GLU 65 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 4fua n GLU 66 N 0.14 0.25 -1.03 3.44 1.02 -1.26 -3.25 120.64 119.96 4fua n GLU 66 Ca 0.04 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 4fua n GLU 66 Cb 0.40 -1.94 -0.00 0.00 -0.02 0.00 0.00 31.44 29.87 4fua n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4fua n GLY 67 N 1.45 0.20 3.06 0.62 0.00 -1.26 -4.97 105.19 104.31 4fua n GLY 67 Ca 0.10 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 4fua n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4fua s LYS 68 N -1.62 1.09 -0.33 1.61 1.02 -1.20 -5.13 119.74 115.18 4fua s LYS 68 Ca 0.00 -0.42 -0.08 0.00 0.02 0.00 0.00 55.97 55.49 4fua s LYS 68 Cb 0.00 -1.03 0.02 0.00 -0.52 0.00 0.00 37.83 36.31 4fua s LYS 68 CO 0.00 0.22 0.12 -0.51 -0.92 0.00 0.00 175.35 174.26 4fua s LEU 69 N -0.11 4.25 0.86 3.17 1.43 -1.26 -4.80 118.68 122.22 4fua s LEU 69 Ca 0.01 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.08 4fua s LEU 69 Cb -0.07 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.34 4fua s LEU 69 CO 0.00 -0.29 1.10 -2.16 0.23 0.00 0.00 176.35 175.23 4fua s PRO 70 N 1.49 1.53 0.30 1.29 0.04 -1.26 -2.32 135.00 136.06 4fua s PRO 70 Ca 0.01 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 4fua s PRO 70 Cb -0.18 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 4fua s PRO 70 CO 0.04 -2.01 1.33 0.45 0.04 0.00 0.00 177.00 176.84 4fua n SER 71 N -3.70 2.72 0.20 6.66 2.88 -0.83 -3.62 113.62 117.93 4fua n SER 71 Ca 0.07 1.18 0.18 0.00 -1.33 0.00 0.00 58.87 58.97 4fua n SER 71 Cb 0.56 -1.46 0.81 0.00 -0.75 0.00 0.00 64.21 63.38 4fua n SER 71 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 4fua h SER 72 N 3.22 0.00 -0.41 -3.46 4.64 -1.92 0.10 113.55 115.72 4fua h SER 72 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 4fua h SER 72 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 4fua h SER 72 CO 0.68 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.02 4fua n GLU 73 N -3.50 2.00 -0.17 4.77 -0.58 -1.26 -4.20 120.64 117.70 4fua n GLU 73 Ca 0.03 -1.55 0.29 0.00 -0.42 0.00 0.00 57.16 55.50 4fua n GLU 73 Cb 0.45 -1.35 0.72 0.00 -0.57 0.00 0.00 31.44 30.69 4fua n GLU 73 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 4fua h TRP 74 N 2.59 0.00 -0.49 -0.32 5.08 -1.13 -0.39 115.95 121.29 4fua h TRP 74 Ca 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 4fua h TRP 74 Cb 0.59 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.73 4fua h TRP 74 CO 0.27 0.00 -0.02 0.00 -1.28 0.00 0.00 178.44 177.41 4fua h ARG 75 N 0.00 0.83 -0.00 0.12 3.08 -1.84 -2.14 114.38 114.43 4fua h ARG 75 Ca 0.42 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.23 4fua h ARG 75 Cb 1.78 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.74 4fua h ARG 75 CO -0.00 0.85 -0.08 1.97 -1.07 0.00 0.00 179.97 181.63 4fua n PHE 76 N -4.20 0.00 0.08 3.04 1.16 -0.16 -1.57 117.46 115.81 4fua n PHE 76 Ca 0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.41 4fua n PHE 76 Cb 0.32 -0.32 -0.15 0.00 -1.61 0.00 0.00 39.48 37.72 4fua n PHE 76 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 4fua h HIS 77 N 0.15 0.58 0.75 2.97 3.86 -1.43 -2.86 115.15 119.16 4fua h HIS 77 Ca 0.00 -0.42 -0.03 0.00 -1.16 0.00 0.00 60.37 58.76 4fua h HIS 77 Cb 0.39 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 4fua h HIS 77 CO 0.00 1.46 -0.49 1.98 0.86 0.00 0.00 177.93 181.74 4fua h MET 78 N 0.09 -1.12 -0.49 2.45 4.05 -1.07 -1.87 114.93 116.96 4fua h MET 78 Ca -0.26 0.08 0.11 0.00 -0.28 0.00 0.00 59.70 59.35 4fua h MET 78 Cb 2.05 0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 33.08 4fua h MET 78 CO 0.18 -0.75 0.34 0.00 0.23 0.00 0.00 176.91 176.91 4fua h ALA 79 N -1.07 2.22 -0.29 0.39 0.00 -1.41 -2.01 119.26 117.09 4fua h ALA 79 Ca -0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 4fua h ALA 79 Cb 0.94 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 4fua h ALA 79 CO 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 179.25 178.97 4fua h ALA 80 N 1.75 0.39 0.00 0.00 0.00 -1.12 -0.68 119.26 119.60 4fua h ALA 80 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 4fua h ALA 80 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 4fua h ALA 80 CO -0.04 0.16 -0.16 1.88 0.00 0.00 0.00 179.25 181.09 4fua h TYR 81 N 0.30 0.00 0.06 0.00 0.05 -0.66 -0.24 116.97 116.49 4fua h TYR 81 Ca 0.08 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.58 4fua h TYR 81 Cb 0.46 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 4fua h TYR 81 CO 0.04 0.16 -1.40 1.96 -1.05 0.00 0.00 178.16 177.87 4fua h GLN 82 N 0.00 0.14 0.06 4.88 4.20 -1.29 -3.28 115.11 119.81 4fua h GLN 82 Ca -0.00 -0.23 -0.24 0.00 0.06 0.00 0.00 58.65 58.24 4fua h GLN 82 Cb 0.61 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 4fua h GLN 82 CO 0.02 0.97 -1.10 1.03 -0.67 0.00 0.00 178.83 179.09 4fua h SER 83 N 0.04 0.22 -3.49 1.46 0.87 -0.93 -3.40 113.55 108.31 4fua h SER 83 Ca -0.18 -0.23 -0.61 0.00 -1.23 0.00 0.00 61.79 59.54 4fua h SER 83 Cb 1.94 -0.07 -0.40 0.00 -0.44 0.00 0.00 62.40 63.43 4fua h SER 83 CO 0.14 1.16 -0.73 -0.13 -0.53 0.00 0.00 176.83 176.74 4fua s ARG 84 N -2.73 1.35 0.23 2.24 0.52 -0.12 -4.67 118.95 115.78 4fua s ARG 84 Ca -0.02 -2.09 0.21 0.00 -0.52 0.00 0.00 55.73 53.32 4fua s ARG 84 Cb 0.09 -2.39 0.94 0.00 0.52 0.00 0.00 34.95 34.10 4fua s ARG 84 CO 0.85 -1.17 1.65 -0.35 0.02 0.00 0.00 175.30 176.30 4fua n PRO 85 N 3.44 0.16 0.01 3.54 -0.04 -1.24 -1.39 135.00 139.49 4fua n PRO 85 Ca 0.10 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 4fua n PRO 85 Cb 0.35 -1.83 0.32 0.00 -0.04 0.00 0.00 33.50 32.29 4fua n PRO 85 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 4fua n ASP 86 N -2.14 0.44 -4.79 3.54 5.75 -1.26 -4.87 116.55 113.23 4fua n ASP 86 Ca 0.02 -0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.42 4fua n ASP 86 Cb 0.18 0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.26 4fua n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4fua s ALA 87 N -3.03 3.66 -0.43 2.12 0.00 -0.49 -4.38 121.76 119.21 4fua s ALA 87 Ca 0.11 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.74 4fua s ALA 87 Cb 0.17 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 4fua s ALA 87 CO 0.67 0.29 0.42 0.09 0.00 0.00 0.00 175.76 177.22 4fua n ASN 88 N 2.77 0.80 -3.80 0.00 3.02 0.25 -4.88 115.26 113.42 4fua n ASN 88 Ca -0.13 -0.90 -0.13 0.00 -0.03 0.00 0.00 54.58 53.39 4fua n ASN 88 Cb 0.52 0.53 -0.13 0.00 -0.61 0.00 0.00 39.78 40.10 4fua n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4fua s ALA 89 N -0.97 -0.40 -0.04 5.41 0.00 -0.71 -0.98 121.76 124.06 4fua s ALA 89 Ca 0.04 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.61 4fua s ALA 89 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 4fua s ALA 89 CO 0.13 -0.10 -0.23 0.08 0.00 0.00 0.00 175.76 175.64 4fua s VAL 90 N 0.35 1.84 -0.07 0.00 1.01 -0.83 -2.04 120.40 120.66 4fua s VAL 90 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.02 4fua s VAL 90 Cb -0.04 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.80 4fua s VAL 90 CO -0.01 0.52 -0.15 -0.69 0.00 0.00 0.00 175.10 174.76 4fua s VAL 91 N -0.25 1.36 -0.05 2.92 1.01 0.24 -2.27 120.40 123.36 4fua s VAL 91 Ca 0.01 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.39 4fua s VAL 91 Cb -0.12 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.06 4fua s VAL 91 CO 0.02 0.40 -0.11 -2.28 0.00 0.00 0.00 175.10 173.13 4fua s HIS 92 N 0.51 1.26 0.22 5.22 5.04 -0.34 -1.05 115.29 126.15 4fua s HIS 92 Ca -0.14 -0.39 -0.13 0.00 -1.54 0.00 0.00 55.06 52.86 4fua s HIS 92 Cb -0.16 -0.91 -0.00 0.00 0.04 0.00 0.00 32.58 31.55 4fua s HIS 92 CO 0.05 -0.19 0.43 0.54 -2.34 0.00 0.00 174.74 173.23 4fua s ASN 93 N 0.40 -0.09 -0.69 9.88 2.20 -0.82 -1.58 114.94 124.25 4fua s ASN 93 Ca -0.08 -0.84 0.01 0.00 -0.94 0.00 0.00 52.86 51.01 4fua s ASN 93 Cb -0.12 0.54 0.38 0.00 -2.00 0.00 0.00 41.25 40.05 4fua s ASN 93 CO 0.02 -1.06 1.63 1.41 -2.94 0.00 0.00 177.10 176.16 4fua n HIS 94 N -0.33 3.17 -1.68 1.54 8.25 -1.26 -1.45 115.22 123.47 4fua n HIS 94 Ca -0.04 -2.69 -0.45 0.00 -0.26 0.00 0.00 57.72 54.27 4fua n HIS 94 Cb 0.62 -0.74 -0.04 0.00 1.12 0.00 0.00 29.99 30.95 4fua n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 4fua n ALA 95 N -0.49 1.55 -0.37 -1.41 0.00 -1.16 -4.82 120.51 113.81 4fua n ALA 95 Ca 0.47 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 54.26 4fua n ALA 95 Cb 0.40 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 4fua n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 4fua h VAL 96 N 3.93 0.01 -0.27 0.00 2.07 -1.85 -0.34 116.25 119.79 4fua h VAL 96 Ca -0.45 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.89 4fua h VAL 96 Cb 1.25 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 4fua h VAL 96 CO 0.91 0.00 -0.54 0.45 0.02 0.00 0.00 177.57 178.41 4fua h HIS 97 N -0.03 1.07 -0.88 1.57 3.86 -1.91 -2.26 115.15 116.57 4fua h HIS 97 Ca 0.25 -0.39 -0.02 0.00 -1.16 0.00 0.00 60.37 59.05 4fua h HIS 97 Cb 0.52 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 4fua h HIS 97 CO -0.92 1.21 0.45 0.00 0.86 0.00 0.00 177.93 179.54 4fua h THR 99 N 1.24 1.30 -0.33 0.00 2.02 -1.04 -2.30 112.91 113.79 4fua h THR 99 Ca 0.31 -1.57 -0.08 0.00 0.77 0.00 0.00 66.41 65.84 4fua h THR 99 Cb 0.07 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 4fua h THR 99 CO -0.04 0.49 -0.10 0.00 0.37 0.00 0.00 175.52 176.24 4fua h ALA 100 N 1.09 0.46 -0.41 6.16 0.00 -1.12 -1.28 119.26 124.16 4fua h ALA 100 Ca 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 4fua h ALA 100 Cb 0.90 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 4fua h ALA 100 CO 0.08 0.32 0.13 0.28 0.00 0.00 0.00 179.25 180.06 4fua h VAL 101 N 0.44 1.17 0.00 0.00 2.07 -1.41 -1.86 116.25 116.66 4fua h VAL 101 Ca 0.08 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 4fua h VAL 101 Cb 0.61 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 4fua h VAL 101 CO 0.04 0.22 -0.37 0.77 0.02 0.00 0.00 177.57 178.24 4fua h SER 102 N 0.59 0.00 0.07 0.57 4.64 -0.96 -1.62 113.55 116.84 4fua h SER 102 Ca 0.14 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 4fua h SER 102 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 4fua h SER 102 CO -0.01 0.37 -0.56 0.40 -0.87 0.00 0.00 176.83 176.17 4fua h ILE 103 N 0.00 1.33 0.00 0.95 2.04 -0.47 -2.18 117.51 119.17 4fua h ILE 103 Ca -0.00 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.04 4fua h ILE 103 Cb 0.86 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 4fua h ILE 103 CO 0.05 0.56 0.00 0.18 0.00 0.00 0.00 178.15 178.94 4fua n LEU 104 N -3.95 0.23 -3.63 1.44 4.77 -0.80 -4.82 117.00 110.24 4fua n LEU 104 Ca -0.03 0.54 -0.21 0.00 -0.03 0.00 0.00 56.01 56.28 4fua n LEU 104 Cb 0.61 -0.49 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 4fua n LEU 104 CO 0.47 -0.24 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.05 4fua n ASN 105 N -1.74 -2.07 -4.34 -1.43 5.15 -0.67 -5.02 115.26 105.15 4fua n ASN 105 Ca 0.04 -0.81 -0.28 0.00 -0.60 0.00 0.00 54.58 52.94 4fua n ASN 105 Cb 0.26 -4.21 -0.13 0.00 -0.53 0.00 0.00 39.78 35.16 4fua n ASN 105 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 4fua s ARG 106 N -5.77 1.38 0.51 1.20 0.52 -1.13 -5.02 118.95 110.64 4fua s ARG 106 Ca 0.08 -1.23 -0.13 0.00 -0.52 0.00 0.00 55.73 53.93 4fua s ARG 106 Cb -0.02 -1.74 -0.06 0.00 0.52 0.00 0.00 34.95 33.64 4fua s ARG 106 CO 0.80 0.42 0.93 -1.12 0.02 0.00 0.00 175.30 176.35 4fua s SER 107 N -1.82 6.49 -0.24 0.23 0.01 -1.26 -4.46 113.70 112.65 4fua s SER 107 Ca 0.11 1.39 -0.15 0.00 1.31 0.00 0.00 55.95 58.61 4fua s SER 107 Cb -0.10 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 4fua s SER 107 CO 0.05 -0.60 0.38 -0.63 0.41 0.00 0.00 173.24 172.85 4fua s ILE 108 N -2.69 5.19 0.77 1.44 1.01 0.30 -4.92 121.20 122.29 4fua s ILE 108 Ca 0.55 0.63 -0.13 0.00 0.00 0.00 0.00 60.65 61.71 4fua s ILE 108 Cb -0.10 -3.71 0.18 0.00 0.01 0.00 0.00 42.46 38.83 4fua s ILE 108 CO 0.37 0.20 1.05 -0.81 0.00 0.00 0.00 174.94 175.75 4fua n PRO 109 N 4.91 -0.99 -0.96 2.79 -0.04 -1.26 -1.69 135.00 137.76 4fua n PRO 109 Ca -0.08 -1.66 -0.29 0.00 -0.04 0.00 0.00 63.50 61.43 4fua n PRO 109 Cb 0.51 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.88 4fua n PRO 109 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 4fua n ALA 110 N -3.65 5.56 0.56 0.55 0.00 -1.23 -4.55 120.51 117.76 4fua n ALA 110 Ca -0.17 -2.57 0.13 0.00 0.00 0.00 0.00 53.44 50.83 4fua n ALA 110 Cb 0.46 -3.15 0.29 0.00 0.00 0.00 0.00 19.45 17.05 4fua n ALA 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 4fua h ILE 111 N 3.36 0.00 -3.24 0.00 3.07 -1.92 0.38 117.51 119.16 4fua h ILE 111 Ca 0.61 -0.53 -0.14 0.00 1.55 0.00 0.00 64.86 66.36 4fua h ILE 111 Cb 0.23 1.36 -0.21 0.00 -0.27 0.00 0.00 36.82 37.93 4fua h ILE 111 CO 1.58 0.00 -0.39 -2.28 -1.05 0.00 0.00 178.15 176.02 4fua s HIS 112 N -3.14 -0.11 -0.09 0.16 5.04 -1.26 -4.81 115.29 111.07 4fua s HIS 112 Ca 0.08 0.18 0.28 0.00 -1.54 0.00 0.00 55.06 54.07 4fua s HIS 112 Cb 0.12 0.04 1.36 0.00 0.04 0.00 0.00 32.58 34.14 4fua s HIS 112 CO 0.65 -0.30 1.85 0.10 -2.34 0.00 0.00 174.74 174.70 4fua h TYR 113 N 4.36 0.00 0.00 3.88 -0.00 -1.99 -2.49 116.97 120.73 4fua h TYR 113 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.44 4fua h TYR 113 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.92 4fua h TYR 113 CO 0.53 0.00 0.00 -1.33 -0.00 0.00 0.00 178.16 177.36 4fua n MET 114 N -2.53 0.05 0.20 0.10 2.81 -1.26 -2.73 117.12 113.77 4fua n MET 114 Ca -0.00 0.14 0.14 0.00 -1.81 0.00 0.00 57.70 56.16 4fua n MET 114 Cb 0.15 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 31.90 4fua n MET 114 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 4fua h ILE 115 N 0.00 0.75 0.00 2.02 6.09 -1.77 0.12 117.51 124.72 4fua h ILE 115 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 4fua h ILE 115 Cb 0.32 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.52 4fua h ILE 115 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 4fua h ALA 116 N 1.90 1.00 -0.03 0.18 0.00 -1.55 -2.14 119.26 118.62 4fua h ALA 116 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 4fua h ALA 116 Cb 0.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 4fua h ALA 116 CO -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 179.25 179.16 4fua h ALA 117 N 2.04 1.79 -0.11 0.00 0.00 -0.99 -1.46 119.26 120.53 4fua h ALA 117 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 4fua h ALA 117 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 4fua h ALA 117 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.41 4fua n ALA 118 N -2.51 2.52 -0.17 0.00 0.00 -0.80 -4.90 120.51 114.64 4fua n ALA 118 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 4fua n ALA 118 Cb 0.18 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.54 4fua n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4fua n GLY 119 N 0.84 0.61 0.00 0.00 0.00 -0.55 -1.28 105.19 104.81 4fua n GLY 119 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 4fua n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4fua n GLY 120 N -2.01 3.50 0.82 -0.02 0.00 -1.25 -4.92 105.19 101.30 4fua n GLY 120 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.77 4fua n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 4fua n ASN 121 N 0.00 3.32 -3.60 1.61 0.23 -1.26 -3.48 115.26 112.07 4fua n ASN 121 Ca 0.00 -3.20 -0.07 0.00 -0.53 0.00 0.00 54.58 50.78 4fua n ASN 121 Cb 0.00 -0.55 -0.02 0.00 -2.08 0.00 0.00 39.78 37.14 4fua n ASN 121 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 4fua s SER 122 N -2.23 -0.30 -0.22 0.53 1.04 -1.26 -3.48 113.70 107.79 4fua s SER 122 Ca 0.41 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.69 4fua s SER 122 Cb 0.35 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.95 4fua s SER 122 CO 0.06 -0.76 -0.14 -0.63 0.98 0.00 0.00 173.24 172.76 4fua s ILE 123 N -3.22 1.98 0.89 -1.02 -1.09 -0.68 -4.90 121.20 113.15 4fua s ILE 123 Ca 0.08 -1.24 -0.13 0.00 -2.23 0.00 0.00 60.65 57.13 4fua s ILE 123 Cb -0.01 -1.98 0.13 0.00 -1.58 0.00 0.00 42.46 39.02 4fua s ILE 123 CO -0.05 0.20 1.19 -2.16 -1.23 0.00 0.00 174.94 172.90 4fua s PRO 124 N 1.25 1.30 -0.16 2.79 0.04 -1.26 -0.54 135.00 138.42 4fua s PRO 124 Ca -0.02 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.10 4fua s PRO 124 Cb -0.17 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.53 4fua s PRO 124 CO -0.08 -2.05 -0.11 0.00 0.04 0.00 0.00 177.00 174.80 4fua s ALA 126 N 1.52 3.39 0.31 0.00 0.00 -0.15 -4.86 121.76 121.96 4fua s ALA 126 Ca 0.03 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 4fua s ALA 126 Cb -0.14 -2.93 -0.14 0.00 0.00 0.00 0.00 23.12 19.91 4fua s ALA 126 CO -0.09 0.05 0.86 -2.30 0.00 0.00 0.00 175.76 174.28 4fua n PRO 127 N 3.03 1.03 -1.80 0.00 -0.02 -1.26 -0.75 135.00 135.22 4fua n PRO 127 Ca -0.03 0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.46 4fua n PRO 127 Cb 0.51 -1.69 0.06 0.00 -0.02 0.00 0.00 33.50 32.36 4fua n PRO 127 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 4fua s TYR 128 N -1.14 2.25 -0.13 6.00 5.04 -1.26 -4.66 117.35 123.45 4fua s TYR 128 Ca 0.61 1.53 -0.29 0.00 -2.44 0.00 0.00 57.07 56.48 4fua s TYR 128 Cb -0.70 -3.50 0.08 0.00 0.35 0.00 0.00 41.96 38.18 4fua s TYR 128 CO 0.59 -2.42 0.74 0.00 -1.34 0.00 0.00 175.55 173.11 4fua s ALA 129 N -1.70 -1.80 0.24 3.97 0.00 -1.26 -5.00 121.76 116.22 4fua s ALA 129 Ca 0.77 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 54.00 4fua s ALA 129 Cb -0.31 -0.46 -0.15 0.00 0.00 0.00 0.00 23.12 22.20 4fua s ALA 129 CO 0.38 -0.35 1.08 2.41 0.00 0.00 0.00 175.76 179.28 4fua n THR 130 N 1.45 1.53 -1.57 0.00 -1.04 -1.26 -4.85 114.28 108.54 4fua n THR 130 Ca -0.16 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.05 61.10 4fua n THR 130 Cb 0.56 -0.95 0.08 0.00 -1.82 0.00 0.00 70.33 68.20 4fua n THR 130 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 4fua n PHE 131 N 0.78 1.45 -2.10 -1.42 1.16 -1.26 -2.49 117.46 113.59 4fua n PHE 131 Ca 0.12 0.42 -0.21 0.00 -1.87 0.00 0.00 57.45 55.91 4fua n PHE 131 Cb 0.29 -2.19 -0.04 0.00 -1.61 0.00 0.00 39.48 35.93 4fua n PHE 131 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 4fua n GLY 132 N 0.97 0.44 3.76 4.97 0.00 -1.26 -4.98 105.19 109.09 4fua n GLY 132 Ca 0.15 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 4fua n GLY 132 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4fua s THR 133 N -2.94 4.34 0.28 2.61 2.01 -1.04 -4.91 115.64 115.99 4fua s THR 133 Ca 0.00 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.07 4fua s THR 133 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.36 4fua s THR 133 CO 0.00 -0.00 1.65 -0.09 -0.69 0.00 0.00 174.62 175.49 4fua h ARG 134 N 2.87 0.11 0.00 4.92 9.65 -1.94 -2.81 114.38 127.18 4fua h ARG 134 Ca -0.47 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 58.27 4fua h ARG 134 Cb 1.18 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.76 4fua h ARG 134 CO 0.63 0.61 -0.33 1.49 2.80 0.00 0.00 179.97 185.17 4fua h GLU 135 N 0.08 0.00 -0.19 0.20 4.81 -1.95 -1.93 114.58 115.60 4fua h GLU 135 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 4fua h GLU 135 Cb 0.97 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 4fua h GLU 135 CO 0.08 0.33 -0.42 1.25 -0.73 0.00 0.00 179.01 179.52 4fua h LEU 136 N 0.00 0.48 -0.64 1.64 6.46 -1.76 -2.74 115.31 118.74 4fua h LEU 136 Ca -0.00 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.49 4fua h LEU 136 Cb 0.69 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 4fua h LEU 136 CO 0.04 0.84 0.18 0.28 -0.62 0.00 0.00 178.44 179.17 4fua h SER 137 N 0.37 0.95 -0.63 1.25 0.02 -1.22 -2.35 113.55 111.94 4fua h SER 137 Ca 0.03 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 4fua h SER 137 Cb 0.89 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 4fua h SER 137 CO 0.08 0.92 0.27 -0.33 -1.14 0.00 0.00 176.83 176.62 4fua h GLU 138 N 0.93 0.97 -0.06 3.45 5.08 -1.24 -1.36 114.58 122.36 4fua h GLU 138 Ca 0.20 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 4fua h GLU 138 Cb 0.32 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 4fua h GLU 138 CO -0.00 0.79 0.01 0.45 -1.00 0.00 0.00 179.01 179.26 4fua h HIS 139 N 0.96 0.11 -0.24 4.33 3.86 -1.28 -2.43 115.15 120.46 4fua h HIS 139 Ca 0.22 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 4fua h HIS 139 Cb 0.18 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 4fua h HIS 139 CO 0.01 0.34 -0.04 -0.39 0.86 0.00 0.00 177.93 178.71 4fua h VAL 140 N -0.15 1.28 -0.73 2.45 -1.51 -1.33 -2.22 116.25 114.04 4fua h VAL 140 Ca 0.02 -1.03 0.14 0.00 -1.23 0.00 0.00 66.70 64.60 4fua h VAL 140 Cb 0.29 1.46 -0.10 0.00 -2.13 0.00 0.00 31.29 30.82 4fua h VAL 140 CO 0.00 0.32 0.25 0.00 -1.23 0.00 0.00 177.57 176.91 4fua h ALA 141 N 0.77 1.00 -0.43 5.19 0.00 -1.28 0.84 119.26 125.34 4fua h ALA 141 Ca 0.06 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 4fua h ALA 141 Cb 0.50 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 4fua h ALA 141 CO 0.02 -0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 178.88 4fua h LEU 142 N 0.38 0.73 -0.52 0.00 4.07 -1.30 -3.04 115.31 115.63 4fua h LEU 142 Ca 0.40 -0.20 -0.16 0.00 0.08 0.00 0.00 57.88 58.00 4fua h LEU 142 Cb 0.63 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 4fua h LEU 142 CO -0.43 0.84 -0.72 0.00 -1.08 0.00 0.00 178.44 177.06 4fua h ALA 143 N 1.23 0.74 -0.01 1.53 0.00 -0.29 -3.23 119.26 119.25 4fua h ALA 143 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.41 4fua h ALA 143 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 4fua h ALA 143 CO 0.03 0.83 -0.08 1.28 0.00 0.00 0.00 179.25 181.31 4fua n LEU 144 N -3.76 0.65 -0.17 0.00 4.77 -0.10 -3.87 117.00 114.52 4fua n LEU 144 Ca -0.02 -0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 55.80 4fua n LEU 144 Cb 0.70 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.74 4fua n LEU 144 CO 0.45 0.12 0.99 0.50 -1.33 0.00 0.00 177.39 178.12 4fua h LYS 145 N 0.90 0.41 -0.08 3.23 1.63 -1.55 -3.21 116.57 117.90 4fua h LYS 145 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 4fua h LYS 145 Cb 0.34 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 4fua h LYS 145 CO 0.00 0.27 0.00 0.27 -3.45 0.00 0.00 179.45 176.54 4fua n ASN 146 N -4.95 2.36 -3.98 4.20 6.94 -1.26 -4.95 115.26 113.63 4fua n ASN 146 Ca 0.05 -2.27 -0.09 0.00 -0.02 0.00 0.00 54.58 52.25 4fua n ASN 146 Cb 0.18 -0.16 -0.11 0.00 -2.36 0.00 0.00 39.78 37.33 4fua n ASN 146 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 4fua s ARG 147 N -1.47 0.30 0.06 -3.83 1.81 -1.21 -4.70 118.95 109.90 4fua s ARG 147 Ca 0.13 -0.57 0.26 0.00 -1.72 0.00 0.00 55.73 53.83 4fua s ARG 147 Cb 0.10 0.08 0.61 0.00 -0.45 0.00 0.00 34.95 35.29 4fua s ARG 147 CO 0.04 -0.04 1.51 1.63 -0.68 0.00 0.00 175.30 177.76 4fua n LYS 148 N 1.71 0.12 -3.89 3.54 5.02 -0.40 -4.37 118.16 119.89 4fua n LYS 148 Ca -0.23 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.00 4fua n LYS 148 Cb 0.55 -1.59 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 4fua n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 4fua s ALA 149 N -3.06 -0.22 -0.06 7.82 0.00 -1.26 -1.34 121.76 123.64 4fua s ALA 149 Ca 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 4fua s ALA 149 Cb 0.16 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.35 4fua s ALA 149 CO 0.67 -0.16 0.25 -0.08 0.00 0.00 0.00 175.76 176.43 4fua s THR 150 N -1.08 0.03 0.47 0.00 -1.32 -0.17 -4.30 115.64 109.27 4fua s THR 150 Ca -0.12 -0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 60.04 4fua s THR 150 Cb -0.07 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 4fua s THR 150 CO 0.01 -0.14 0.79 -0.76 -2.21 0.00 0.00 174.62 172.30 4fua s LEU 151 N -0.54 3.65 -0.20 9.08 1.43 -0.45 -0.85 118.68 130.79 4fua s LEU 151 Ca -0.06 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 4fua s LEU 151 Cb -0.04 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.30 4fua s LEU 151 CO 0.02 -0.56 -0.17 -0.76 0.23 0.00 0.00 176.35 175.10 4fua s LEU 152 N -4.63 2.44 0.14 1.79 1.43 0.25 -0.98 118.68 119.12 4fua s LEU 152 Ca 0.48 -0.80 -0.35 0.00 -1.03 0.00 0.00 54.13 52.43 4fua s LEU 152 Cb -0.10 -1.50 -0.15 0.00 0.03 0.00 0.00 46.19 44.46 4fua s LEU 152 CO 0.43 -0.04 1.41 1.67 0.23 0.00 0.00 176.35 180.05 4fua n GLN 153 N 4.59 1.58 -2.11 1.70 7.27 0.07 -1.06 117.38 129.42 4fua n GLN 153 Ca -0.19 0.57 -0.17 0.00 0.07 0.00 0.00 57.00 57.28 4fua n GLN 153 Cb 0.48 -2.24 -0.03 0.00 2.41 0.00 0.00 30.24 30.87 4fua n GLN 153 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 4fua n HIS 154 N 2.64 -0.87 0.00 3.69 8.25 -1.03 -4.46 115.22 123.44 4fua n HIS 154 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 4fua n HIS 154 Cb 0.24 -3.27 0.00 0.00 1.12 0.00 0.00 29.99 28.08 4fua n HIS 154 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 4fua n HIS 155 N -3.19 0.00 0.00 4.41 -0.00 -0.22 -5.01 115.22 111.22 4fua n HIS 155 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 4fua n HIS 155 Cb 0.62 0.37 0.00 0.00 -0.00 0.00 0.00 29.99 30.98 4fua n HIS 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 4fua n GLY 156 N 1.66 -1.02 2.99 1.57 0.00 -1.00 -4.77 105.19 104.61 4fua n GLY 156 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 4fua n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4fua s LEU 157 N 0.00 2.13 -0.07 0.99 1.98 -0.53 -0.59 118.68 122.60 4fua s LEU 157 Ca 0.00 -0.30 -0.01 0.00 -2.89 0.00 0.00 54.13 50.93 4fua s LEU 157 Cb 0.00 -0.15 0.03 0.00 0.66 0.00 0.00 46.19 46.73 4fua s LEU 157 CO 0.00 -0.09 -0.02 -0.51 -1.89 0.00 0.00 176.35 173.84 4fua s ILE 158 N -0.75 0.48 -0.01 6.68 2.07 -0.03 -1.95 121.20 127.70 4fua s ILE 158 Ca -0.05 0.02 0.04 0.00 -1.41 0.00 0.00 60.65 59.25 4fua s ILE 158 Cb -0.06 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 41.93 4fua s ILE 158 CO -0.00 0.26 -0.14 0.00 -1.91 0.00 0.00 174.94 173.16 4fua s ALA 159 N 1.68 1.13 0.02 1.50 0.00 -0.21 -1.00 121.76 124.87 4fua s ALA 159 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.39 4fua s ALA 159 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 4fua s ALA 159 CO -0.04 0.27 -0.04 0.00 0.00 0.00 0.00 175.76 175.95 4fua n GLU 161 N 1.88 0.00 0.27 0.00 -0.58 -0.87 -4.78 120.64 116.56 4fua n GLU 161 Ca -0.21 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.71 4fua n GLU 161 Cb 0.56 0.00 0.75 0.00 -0.57 0.00 0.00 31.44 32.17 4fua n GLU 161 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 4fua h VAL 162 N 0.87 0.00 -2.87 2.62 -1.51 -1.87 0.96 116.25 114.44 4fua h VAL 162 Ca 0.00 -0.41 0.06 0.00 -1.23 0.00 0.00 66.70 65.12 4fua h VAL 162 Cb 0.00 1.38 -0.08 0.00 -2.13 0.00 0.00 31.29 30.45 4fua h VAL 162 CO 0.00 0.00 0.27 0.54 -1.23 0.00 0.00 177.57 177.15 4fua s ASN 163 N -5.47 -0.35 0.37 4.19 2.20 -1.26 -4.10 114.94 110.52 4fua s ASN 163 Ca 0.00 -0.35 0.09 0.00 -0.94 0.00 0.00 52.86 51.67 4fua s ASN 163 Cb 0.09 0.63 0.84 0.00 -2.00 0.00 0.00 41.25 40.82 4fua s ASN 163 CO 0.51 -1.12 1.91 -0.07 -2.94 0.00 0.00 177.10 175.38 4fua h LEU 164 N 2.00 0.60 -0.21 3.54 3.38 -1.89 -0.50 115.31 122.23 4fua h LEU 164 Ca -0.25 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.54 4fua h LEU 164 Cb 1.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 4fua h LEU 164 CO 0.29 0.33 -0.93 1.05 0.09 0.00 0.00 178.44 179.27 4fua h GLU 165 N 0.65 0.24 0.00 1.13 4.11 -1.98 -0.42 114.58 118.32 4fua h GLU 165 Ca 0.39 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.45 4fua h GLU 165 Cb 0.61 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 4fua h GLU 165 CO -0.16 1.01 -0.43 0.87 0.07 0.00 0.00 179.01 180.37 4fua h LYS 166 N 0.13 0.00 -0.01 1.06 1.57 -1.88 -0.78 116.57 116.66 4fua h LYS 166 Ca -0.06 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.49 4fua h LYS 166 Cb 1.57 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.89 4fua h LYS 166 CO 0.15 0.43 -0.96 0.00 -0.57 0.00 0.00 179.45 178.51 4fua h ALA 167 N 1.57 0.30 -0.15 3.86 0.00 -1.00 -2.34 119.26 121.49 4fua h ALA 167 Ca -0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.05 4fua h ALA 167 Cb 1.10 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.90 4fua h ALA 167 CO 0.06 0.77 -0.55 1.25 0.00 0.00 0.00 179.25 180.77 4fua h LEU 168 N 0.30 0.75 -0.06 0.00 6.46 -0.95 -2.23 115.31 119.58 4fua h LEU 168 Ca -0.09 -0.61 0.02 0.00 -0.12 0.00 0.00 57.88 57.08 4fua h LEU 168 Cb 1.59 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.28 4fua h LEU 168 CO 0.17 1.23 -0.07 -0.25 -0.62 0.00 0.00 178.44 178.90 4fua h TRP 169 N 0.31 -0.18 -0.23 1.25 7.01 -1.19 -0.64 115.95 122.28 4fua h TRP 169 Ca -0.03 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.01 4fua h TRP 169 Cb 1.18 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 28.30 4fua h TRP 169 CO 0.10 -0.12 0.08 1.25 -2.79 0.00 0.00 178.44 176.96 4fua h LEU 170 N -0.10 0.09 -1.23 0.65 6.46 -1.43 -0.19 115.31 119.56 4fua h LEU 170 Ca 0.05 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 4fua h LEU 170 Cb 0.17 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 4fua h LEU 170 CO -0.12 0.08 0.53 0.00 -0.62 0.00 0.00 178.44 178.32 4fua h ALA 171 N 1.15 1.50 -0.44 1.25 0.00 -1.20 -1.08 119.26 120.44 4fua h ALA 171 Ca 0.10 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 4fua h ALA 171 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 4fua h ALA 171 CO -0.10 0.42 -0.27 1.25 0.00 0.00 0.00 179.25 180.54 4fua h HIS 172 N 1.01 1.10 -0.71 0.00 -0.00 -0.50 -2.73 115.15 113.32 4fua h HIS 172 Ca 0.32 -0.29 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 4fua h HIS 172 Cb 0.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.15 4fua h HIS 172 CO -0.00 1.10 0.25 1.49 -0.00 0.00 0.00 177.93 180.77 4fua h GLU 173 N 0.80 1.08 0.00 5.26 4.57 -0.42 -2.81 114.58 123.06 4fua h GLU 173 Ca 0.09 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 4fua h GLU 173 Cb 0.85 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 4fua h GLU 173 CO 0.08 0.90 -0.36 0.28 -1.18 0.00 0.00 179.01 178.73 4fua h VAL 174 N 1.05 1.06 -0.34 0.32 2.07 -0.99 -1.51 116.25 117.90 4fua h VAL 174 Ca 0.23 -1.34 -0.13 0.00 0.82 0.00 0.00 66.70 66.29 4fua h VAL 174 Cb 0.26 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 4fua h VAL 174 CO -0.01 0.36 -0.32 -0.33 0.02 0.00 0.00 177.57 177.29 4fua h GLU 175 N 0.00 0.75 0.25 1.57 4.39 -1.25 0.15 114.58 120.43 4fua h GLU 175 Ca -0.00 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 4fua h GLU 175 Cb 0.74 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 4fua h GLU 175 CO 0.05 0.96 -0.12 0.28 -1.16 0.00 0.00 179.01 179.02 4fua h VAL 176 N 0.63 0.81 -0.98 3.13 2.07 -1.25 -1.44 116.25 119.23 4fua h VAL 176 Ca 0.07 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.15 4fua h VAL 176 Cb 0.84 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 4fua h VAL 176 CO 0.07 0.11 0.63 -0.07 0.02 0.00 0.00 177.57 178.33 4fua h LEU 177 N -0.60 0.99 -0.98 2.57 3.38 -1.12 -0.61 115.31 118.93 4fua h LEU 177 Ca -0.03 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 4fua h LEU 177 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 4fua h LEU 177 CO 0.06 0.63 -0.24 0.00 0.09 0.00 0.00 178.44 178.97 4fua h ALA 178 N 1.45 1.14 -0.05 1.53 0.00 -0.69 -2.07 119.26 120.58 4fua h ALA 178 Ca 0.43 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 4fua h ALA 178 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 4fua h ALA 178 CO -0.18 0.54 -0.72 0.37 0.00 0.00 0.00 179.25 179.26 4fua h GLN 179 N 0.39 0.27 -0.15 0.00 4.15 -0.19 -1.81 115.11 117.78 4fua h GLN 179 Ca 0.06 -0.23 -0.14 0.00 0.77 0.00 0.00 58.65 59.12 4fua h GLN 179 Cb 0.64 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 4fua h GLN 179 CO 0.05 0.88 -0.49 -0.07 -1.93 0.00 0.00 178.83 177.27 4fua h LEU 180 N 0.19 0.43 0.20 -2.39 3.38 -1.03 -2.48 115.31 113.61 4fua h LEU 180 Ca -0.02 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 4fua h LEU 180 Cb 1.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.92 4fua h LEU 180 CO 0.12 0.85 -0.10 0.22 0.09 0.00 0.00 178.44 179.62 4fua h TYR 181 N 0.32 -0.25 -0.82 1.13 3.20 -1.26 -2.63 116.97 116.65 4fua h TYR 181 Ca 0.02 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 4fua h TYR 181 Cb 0.97 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 4fua h TYR 181 CO 0.03 0.12 0.54 -0.07 -1.64 0.00 0.00 178.16 177.15 4fua h LEU 182 N -0.70 0.95 -0.36 2.82 3.38 -1.37 -1.24 115.31 118.79 4fua h LEU 182 Ca -0.03 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 4fua h LEU 182 Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 4fua h LEU 182 CO 0.05 0.69 -0.13 0.74 0.09 0.00 0.00 178.44 179.87 4fua h THR 183 N 1.12 1.28 0.00 0.22 2.02 -1.50 -2.91 112.91 113.14 4fua h THR 183 Ca 0.30 -1.23 -0.19 0.00 0.77 0.00 0.00 66.41 66.06 4fua h THR 183 Cb -0.13 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 4fua h THR 183 CO -0.06 0.40 -0.94 0.71 0.37 0.00 0.00 175.52 175.99 4fua h THR 184 N 0.51 1.54 0.00 3.16 1.35 -1.39 -3.28 112.91 114.79 4fua h THR 184 Ca 0.09 -3.19 -0.04 0.00 -0.55 0.00 0.00 66.41 62.72 4fua h THR 184 Cb 0.66 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 4fua h THR 184 CO 0.04 0.88 -0.19 0.25 -0.25 0.00 0.00 175.52 176.25 4fua h LEU 185 N 0.00 0.00 -0.49 3.87 5.85 -1.26 0.38 115.31 123.65 4fua h LEU 185 Ca -0.02 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 4fua h LEU 185 Cb 1.71 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 4fua h LEU 185 CO 0.12 0.19 -0.35 0.00 -0.34 0.00 0.00 178.44 178.05 4fua h ALA 186 N 1.81 0.86 0.00 1.25 0.00 -1.57 -3.29 119.26 118.32 4fua h ALA 186 Ca -0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 54.91 54.23 4fua h ALA 186 Cb 0.68 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 4fua h ALA 186 CO 0.02 0.44 -2.30 -0.89 0.00 0.00 0.00 179.25 176.52 4fua n ILE 187 N -3.31 1.42 -3.73 0.00 5.41 -0.60 -5.00 119.36 113.55 4fua n ILE 187 Ca 0.01 -0.84 -0.13 0.00 1.00 0.00 0.00 62.75 62.78 4fua n ILE 187 Cb 0.59 -0.56 -0.09 0.00 -0.71 0.00 0.00 39.64 38.86 4fua n ILE 187 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 4fua s THR 188 N -2.51 0.02 -0.14 1.39 2.01 0.12 -5.12 115.64 111.41 4fua s THR 188 Ca -0.10 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 4fua s THR 188 Cb 0.06 -0.60 0.07 0.00 0.01 0.00 0.00 72.50 72.04 4fua s THR 188 CO 0.82 -0.07 0.24 -0.62 -0.69 0.00 0.00 174.62 174.30 4fua s ASP 189 N -0.30 0.69 0.54 3.53 -1.08 -1.26 -3.80 116.67 114.98 4fua s ASP 189 Ca -0.04 0.32 -0.17 0.00 -0.52 0.00 0.00 52.55 52.13 4fua s ASP 189 Cb -0.03 0.55 -0.06 0.00 -1.46 0.00 0.00 42.92 41.91 4fua s ASP 189 CO 0.02 -0.27 1.02 -2.16 0.52 0.00 0.00 175.17 174.31 4fua s PRO 190 N 2.37 3.68 0.06 4.34 0.04 -1.26 -5.14 135.00 139.08 4fua s PRO 190 Ca 0.03 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 4fua s PRO 190 Cb -0.13 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.27 4fua s PRO 190 CO -0.09 -0.51 0.88 0.08 0.04 0.00 0.00 177.00 177.40 4fua s VAL 191 N -2.39 4.69 0.39 -0.36 1.01 -1.25 -5.00 120.40 117.48 4fua s VAL 191 Ca 0.63 1.87 -0.25 0.00 0.00 0.00 0.00 61.98 64.23 4fua s VAL 191 Cb -0.14 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 4fua s VAL 191 CO 0.30 0.30 1.07 -2.65 0.00 0.00 0.00 175.10 174.11 4fua n PRO 192 N 3.07 1.49 -4.24 2.72 -0.02 -1.26 -4.99 135.00 131.76 4fua n PRO 192 Ca 0.01 0.53 -0.14 0.00 -2.02 0.00 0.00 63.50 61.88 4fua n PRO 192 Cb 0.50 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 4fua n PRO 192 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 4fua s VAL 193 N -1.21 1.08 0.44 -1.45 -7.23 -1.26 -4.54 120.40 106.23 4fua s VAL 193 Ca 0.61 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 4fua s VAL 193 Cb -0.58 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.42 4fua s VAL 193 CO 0.58 -0.74 0.90 -0.76 -0.31 0.00 0.00 175.10 174.78 4fua s LEU 194 N -3.16 3.82 0.73 1.32 1.43 0.13 -4.98 118.68 117.98 4fua s LEU 194 Ca 0.17 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 54.65 4fua s LEU 194 Cb 0.03 -4.37 0.03 0.00 0.03 0.00 0.00 46.19 41.91 4fua s LEU 194 CO 0.00 -0.43 1.07 -0.94 0.23 0.00 0.00 176.35 176.29 4fua s SER 195 N -2.70 5.00 0.41 2.29 1.04 -1.26 -4.78 113.70 113.69 4fua s SER 195 Ca 0.58 1.63 0.11 0.00 0.48 0.00 0.00 55.95 58.75 4fua s SER 195 Cb -0.10 -2.44 0.86 0.00 0.10 0.00 0.00 66.02 64.44 4fua s SER 195 CO 0.24 -1.69 1.96 0.44 0.98 0.00 0.00 173.24 175.16 4fua h ASP 196 N -0.89 0.19 -0.21 7.02 3.32 -1.98 -0.81 116.42 123.06 4fua h ASP 196 Ca -0.44 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 4fua h ASP 196 Cb 1.22 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 4fua h ASP 196 CO 0.56 0.32 0.07 -0.08 -1.72 0.00 0.00 179.24 178.38 4fua h GLU 197 N 0.20 0.32 -0.51 3.56 4.81 -1.99 -0.10 114.58 120.87 4fua h GLU 197 Ca 0.04 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 4fua h GLU 197 Cb 0.30 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 4fua h GLU 197 CO 0.02 0.40 0.32 1.49 -0.73 0.00 0.00 179.01 180.51 4fua h GLU 198 N 0.17 0.63 -0.63 1.92 4.22 -1.73 -0.62 114.58 118.53 4fua h GLU 198 Ca 0.07 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.48 4fua h GLU 198 Cb 0.22 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 4fua h GLU 198 CO -0.00 0.41 0.41 0.82 -2.18 0.00 0.00 179.01 178.48 4fua h ILE 199 N 0.64 1.16 -0.21 2.32 1.08 -0.90 -1.41 117.51 120.18 4fua h ILE 199 Ca 0.19 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 4fua h ILE 199 Cb -0.03 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 33.94 4fua h ILE 199 CO -0.07 0.15 0.09 0.00 -0.69 0.00 0.00 178.15 177.64 4fua h ALA 200 N 1.61 0.25 -0.20 1.87 0.00 0.50 0.10 119.26 123.40 4fua h ALA 200 Ca 0.23 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.18 4fua h ALA 200 Cb -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 4fua h ALA 200 CO -0.05 -0.32 0.01 0.28 0.00 0.00 0.00 179.25 179.17 4fua h VAL 201 N 0.21 0.87 -0.60 0.00 2.07 -0.66 -1.06 116.25 117.08 4fua h VAL 201 Ca 0.09 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 4fua h VAL 201 Cb 0.03 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 4fua h VAL 201 CO -0.07 0.01 0.34 0.58 0.02 0.00 0.00 177.57 178.45 4fua h VAL 202 N 0.07 1.18 0.00 2.57 2.07 -0.82 -0.00 116.25 121.32 4fua h VAL 202 Ca 0.09 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 4fua h VAL 202 Cb 0.11 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 4fua h VAL 202 CO -0.15 0.19 -0.33 -0.07 0.02 0.00 0.00 177.57 177.23 4fua h LEU 203 N 0.83 0.00 -0.22 2.57 3.38 -0.14 -1.89 115.31 119.83 4fua h LEU 203 Ca 0.21 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 4fua h LEU 203 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 4fua h LEU 203 CO -0.04 0.33 -0.68 -0.33 0.09 0.00 0.00 178.44 177.81 4fua h GLU 204 N 0.00 0.83 0.00 1.13 4.39 0.24 -3.12 114.58 118.05 4fua h GLU 204 Ca -0.00 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.09 4fua h GLU 204 Cb 0.74 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 4fua h GLU 204 CO 0.04 1.23 0.00 0.87 -1.16 0.00 0.00 179.01 179.99 4fua h LYS 205 N 0.60 0.00 0.00 2.33 1.57 -0.96 -3.51 116.57 116.60 4fua h LYS 205 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 4fua h LYS 205 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 4fua h LYS 205 CO 0.14 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 180.21