#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0s s HIS 2 N 0.00 3.20 0.00 1.61 0.00 -1.26 -4.86 115.29 113.98 2k0s s HIS 2 Ca 0.00 -1.39 0.02 0.00 -3.00 0.00 0.00 55.06 50.69 2k0s s HIS 2 Cb 0.00 -2.22 0.03 0.00 -4.00 0.00 0.00 32.58 26.39 2k0s s HIS 2 CO 0.00 -0.70 0.82 -2.39 -1.00 0.00 0.00 174.74 171.47 2k0s n HIS 3 N 4.78 0.00 -4.06 0.38 -0.00 -1.26 -5.13 115.22 109.93 2k0s n HIS 3 Ca -0.14 -0.29 -0.13 0.00 -0.00 0.00 0.00 57.72 57.17 2k0s n HIS 3 Cb 0.46 0.34 -0.12 0.00 -0.00 0.00 0.00 29.99 30.67 2k0s n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k0s s HIS 4 N 0.00 0.63 -0.49 -1.40 -0.00 -1.26 -5.04 115.29 107.73 2k0s s HIS 4 Ca 0.02 -0.48 -0.02 0.00 -0.00 0.00 0.00 55.06 54.59 2k0s s HIS 4 Cb 0.02 -0.38 0.31 0.00 -0.00 0.00 0.00 32.58 32.53 2k0s s HIS 4 CO -0.01 -0.09 2.07 1.58 -0.00 0.00 0.00 174.74 178.29 2k0s n HIS 5 N 1.55 2.28 -3.70 0.38 -0.00 -1.26 -4.84 115.22 109.63 2k0s n HIS 5 Ca -0.22 -2.41 -0.25 0.00 -0.00 0.00 0.00 57.72 54.83 2k0s n HIS 5 Cb 0.55 -1.19 0.03 0.00 -0.00 0.00 0.00 29.99 29.38 2k0s n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k0s n HIS 6 N -0.17 -1.90 -3.84 1.57 -0.00 -1.26 -4.98 115.22 104.64 2k0s n HIS 6 Ca 0.45 0.68 0.00 0.00 -0.00 0.00 0.00 57.72 58.86 2k0s n HIS 6 Cb 0.60 -3.90 0.00 0.00 -0.00 0.00 0.00 29.99 26.69 2k0s n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k0s n HIS 7 N -4.18 -0.08 -0.04 1.57 -0.00 -1.26 -5.17 115.22 106.07 2k0s n HIS 7 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.51 2k0s n HIS 7 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2k0s n HIS 7 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2k0s n LEU 8 N 0.00 0.00 -1.15 0.27 7.94 -1.26 -4.90 117.00 117.89 2k0s n LEU 8 Ca 0.00 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.00 2k0s n LEU 8 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 2k0s n LEU 8 CO 0.00 -1.32 -0.47 -0.62 -1.11 0.00 0.00 177.39 173.87 2k0s n GLU 9 N -1.69 -2.78 -1.78 1.96 1.02 -1.26 -4.82 120.64 111.29 2k0s n GLU 9 Ca 0.00 2.24 -0.17 0.00 -0.02 0.00 0.00 57.16 59.21 2k0s n GLU 9 Cb 0.00 -3.07 -0.05 0.00 -0.02 0.00 0.00 31.44 28.30 2k0s n GLU 9 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k0s n ASP 10 N -3.43 -5.02 0.00 1.62 2.03 -1.26 -4.51 116.55 105.98 2k0s n ASP 10 Ca -0.05 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2k0s n ASP 10 Cb 0.49 -4.05 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 2k0s n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0s n ALA 11 N 0.22 0.00 -3.09 -1.67 0.00 -1.26 -5.06 120.51 109.64 2k0s n ALA 11 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 2k0s n ALA 11 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 2k0s n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2k0s s ASP 12 N -1.05 -0.40 0.24 0.00 1.47 -1.26 -4.99 116.67 110.68 2k0s s ASP 12 Ca 0.00 -1.76 0.06 0.00 1.18 0.00 0.00 52.55 52.03 2k0s s ASP 12 Cb 0.00 1.21 0.27 0.00 -0.34 0.00 0.00 42.92 44.06 2k0s s ASP 12 CO 0.00 -0.14 1.57 0.00 0.68 0.00 0.00 175.17 177.28 2k0s h ALA 13 N 5.94 0.88 -0.36 2.11 0.00 -1.97 -3.28 119.26 122.58 2k0s h ALA 13 Ca 0.10 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2k0s h ALA 13 Cb 1.08 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 2k0s h ALA 13 CO 0.13 0.74 -0.41 1.49 0.00 0.00 0.00 179.25 181.21 2k0s h GLU 14 N 0.13 -0.33 -0.65 0.00 4.22 -1.98 0.26 114.58 116.22 2k0s h GLU 14 Ca -0.01 0.02 0.13 0.00 0.08 0.00 0.00 59.36 59.58 2k0s h GLU 14 Cb 1.11 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 2k0s h GLU 14 CO 0.09 -0.22 0.14 0.74 -2.18 0.00 0.00 179.01 177.58 2k0s h PHE 15 N -0.34 0.22 -0.60 0.92 0.04 -2.00 0.54 116.94 115.71 2k0s h PHE 15 Ca 0.13 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.89 2k0s h PHE 15 Cb 0.58 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.71 2k0s h PHE 15 CO -0.59 -0.05 0.18 0.22 -0.60 0.00 0.00 178.31 177.47 2k0s h ASP 16 N 0.26 0.84 0.58 2.17 3.58 -1.25 -0.91 116.42 121.69 2k0s h ASP 16 Ca 0.35 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.63 2k0s h ASP 16 Cb 0.54 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.38 2k0s h ASP 16 CO -0.44 0.80 -0.28 0.40 -2.88 0.00 0.00 179.24 176.84 2k0s h ILE 17 N 0.88 0.42 -0.81 2.25 1.08 0.16 -1.76 117.51 119.73 2k0s h ILE 17 Ca 0.20 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 2k0s h ILE 17 Cb 0.26 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 2k0s h ILE 17 CO -0.01 0.01 0.47 -0.37 -0.69 0.00 0.00 178.15 177.57 2k0s h VAL 18 N -0.82 1.23 0.39 1.67 -1.51 -1.17 -1.96 116.25 114.08 2k0s h VAL 18 Ca -0.08 -0.53 -0.01 0.00 -1.23 0.00 0.00 66.70 64.85 2k0s h VAL 18 Cb 0.61 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 29.86 2k0s h VAL 18 CO 0.13 0.25 -0.34 0.40 -1.23 0.00 0.00 177.57 176.77 2k0s h ILE 19 N 1.13 0.29 -0.07 7.19 1.08 -1.01 0.43 117.51 126.55 2k0s h ILE 19 Ca 0.29 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.77 2k0s h ILE 19 Cb -0.02 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 2k0s h ILE 19 CO -0.05 0.00 0.00 1.23 -0.69 0.00 0.00 178.15 178.64 2k0s h GLY 20 N -0.74 0.07 2.00 5.37 0.00 -1.18 -2.02 103.07 106.57 2k0s h GLY 20 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2k0s h GLY 20 CO -0.04 -0.01 -0.12 3.43 0.00 0.00 0.00 176.54 179.80 2k0s h ASN 21 N 0.03 0.00 -0.43 0.19 -0.26 -1.25 -2.50 115.58 111.36 2k0s h ASN 21 Ca 0.03 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.73 2k0s h ASN 21 Cb 0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 2k0s h ASN 21 CO -0.06 0.12 0.08 0.40 -1.06 0.00 0.00 177.43 176.92 2k0s h ILE 22 N 0.00 1.24 0.00 2.81 1.08 0.59 0.64 117.51 123.87 2k0s h ILE 22 Ca -0.00 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 63.53 2k0s h ILE 22 Cb 0.25 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2k0s h ILE 22 CO 0.02 0.30 -0.37 1.05 -0.69 0.00 0.00 178.15 178.46 2k0s h GLU 23 N 0.56 0.00 0.01 2.37 4.11 -1.08 -2.96 114.58 117.59 2k0s h GLU 23 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.47 2k0s h GLU 23 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k0s h GLU 23 CO 0.01 0.37 -0.50 0.22 0.07 0.00 0.00 179.01 179.17 2k0s h ASP 24 N 0.00 0.04 -0.45 3.06 3.58 -1.22 -3.32 116.42 118.11 2k0s h ASP 24 Ca -0.00 -0.84 0.13 0.00 0.42 0.00 0.00 57.03 56.74 2k0s h ASP 24 Cb 0.70 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2k0s h ASP 24 CO 0.05 1.20 0.56 0.16 -2.88 0.00 0.00 179.24 178.33 2k0s h ILE 25 N -0.94 0.27 0.00 2.25 -0.00 0.28 -0.35 117.51 119.02 2k0s h ILE 25 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.73 2k0s h ILE 25 Cb 1.16 0.54 0.00 0.00 -0.00 0.00 0.00 36.82 38.53 2k0s h ILE 25 CO -0.06 0.00 0.52 0.40 -0.00 0.00 0.00 178.15 179.02 2k0s h ILE 26 N 0.00 0.00 0.04 0.16 2.04 -1.62 1.06 117.51 119.20 2k0s h ILE 26 Ca 0.22 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.80 2k0s h ILE 26 Cb 1.33 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2k0s h ILE 26 CO -0.00 0.00 -1.45 0.24 0.00 0.00 0.00 178.15 176.94 2k0s h MET 27 N 0.00 0.09 -2.93 2.37 2.86 -1.32 -3.37 114.93 112.62 2k0s h MET 27 Ca 0.00 -0.15 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 2k0s h MET 27 Cb 1.05 0.05 -0.24 0.00 0.06 0.00 0.00 31.60 32.52 2k0s h MET 27 CO 0.00 0.86 -0.32 -1.21 1.06 0.00 0.00 176.91 177.30 2k0s s GLU 28 N -2.64 0.42 -0.11 1.72 2.02 0.37 -4.93 118.70 115.54 2k0s s GLU 28 Ca -0.05 0.40 -0.16 0.00 0.02 0.00 0.00 54.97 55.18 2k0s s GLU 28 Cb 0.08 0.20 -0.14 0.00 0.10 0.00 0.00 34.13 34.37 2k0s s GLU 28 CO 0.83 -0.06 0.47 0.22 0.02 0.00 0.00 175.26 176.74 2k0s h ASP 29 N 5.45 -0.02 -0.77 -0.19 3.58 -1.71 -3.33 116.42 119.42 2k0s h ASP 29 Ca -0.27 -0.51 0.15 0.00 0.42 0.00 0.00 57.03 56.83 2k0s h ASP 29 Cb 1.19 0.01 -0.15 0.00 1.72 0.00 0.00 39.33 42.10 2k0s h ASP 29 CO 0.30 0.72 -0.22 -0.08 -2.88 0.00 0.00 179.24 177.08 2k0s h GLU 30 N -0.98 -0.02 -1.04 0.28 4.81 -1.94 0.65 114.58 116.34 2k0s h GLU 30 Ca -0.00 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.50 2k0s h GLU 30 Cb 0.53 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 2k0s h GLU 30 CO 0.00 -0.01 0.67 0.74 -0.73 0.00 0.00 179.01 179.69 2k0s h PHE 31 N -0.02 0.62 -0.43 0.92 -1.00 -1.94 0.33 116.94 115.42 2k0s h PHE 31 Ca 0.36 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 61.04 2k0s h PHE 31 Cb 0.57 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 2k0s h PHE 31 CO -0.64 0.06 -0.23 0.37 -1.61 0.00 0.00 178.31 176.27 2k0s h GLN 32 N 0.37 0.88 -0.73 1.51 -0.00 0.20 -2.31 115.11 115.03 2k0s h GLN 32 Ca 0.59 -0.37 0.09 0.00 -0.00 0.00 0.00 58.65 58.96 2k0s h GLN 32 Cb 1.53 -0.03 -0.07 0.00 0.00 0.00 0.00 27.48 28.91 2k0s h GLN 32 CO -0.28 1.01 0.38 1.25 0.00 0.00 0.00 178.83 181.20 2k0s h HIS 33 N 0.76 0.69 0.34 3.99 2.76 0.00 0.75 115.15 124.44 2k0s h HIS 33 Ca 0.10 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2k0s h HIS 33 Cb 0.77 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.53 2k0s h HIS 33 CO 0.05 0.27 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.71 2k0s h LEU 34 N 0.66 -0.39 0.34 0.26 4.07 -1.40 -1.98 115.31 116.87 2k0s h LEU 34 Ca 0.35 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.16 2k0s h LEU 34 Cb 0.34 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.16 2k0s h LEU 34 CO -0.25 0.06 -0.32 1.56 -1.08 0.00 0.00 178.44 178.41 2k0s h GLN 35 N -0.96 -0.65 -0.28 1.13 1.08 -1.24 -1.81 115.11 112.38 2k0s h GLN 35 Ca -0.05 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.26 2k0s h GLN 35 Cb 0.51 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 28.02 2k0s h GLN 35 CO 0.08 -0.43 -0.24 0.37 -0.95 0.00 0.00 178.83 177.65 2k0s h GLN 36 N -0.68 -0.22 -0.97 1.46 5.75 0.39 -0.09 115.11 120.76 2k0s h GLN 36 Ca -0.02 0.01 0.19 0.00 -0.15 0.00 0.00 58.65 58.68 2k0s h GLN 36 Cb 0.61 0.05 -0.09 0.00 1.07 0.00 0.00 27.48 29.12 2k0s h GLN 36 CO -0.05 -0.14 0.61 1.03 -2.65 0.00 0.00 178.83 177.63 2k0s h SER 37 N -0.22 0.67 0.36 -0.69 0.87 -1.16 0.45 113.55 113.83 2k0s h SER 37 Ca 0.15 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2k0s h SER 37 Cb 0.46 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k0s h SER 37 CO -0.41 0.26 -0.17 0.15 -0.53 0.00 0.00 176.83 176.12 2k0s h PHE 38 N 0.67 -0.45 -0.06 2.24 3.57 -0.15 -1.69 116.94 121.07 2k0s h PHE 38 Ca 0.54 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.96 2k0s h PHE 38 Cb 0.96 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2k0s h PHE 38 CO -0.00 -0.20 -0.29 1.98 -2.23 0.00 0.00 178.31 177.56 2k0s h MET 39 N -0.61 0.11 0.52 1.11 4.05 -0.60 -1.49 114.93 118.02 2k0s h MET 39 Ca -0.05 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 2k0s h MET 39 Cb 0.45 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2k0s h MET 39 CO 0.08 0.40 -0.25 1.49 0.23 0.00 0.00 176.91 178.86 2k0s h GLU 40 N 0.10 -0.67 -0.36 0.39 4.81 0.05 0.13 114.58 119.03 2k0s h GLU 40 Ca 0.01 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2k0s h GLU 40 Cb 0.57 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2k0s h GLU 40 CO 0.04 -0.40 0.09 0.87 -0.73 0.00 0.00 179.01 178.88 2k0s h LYS 41 N -0.80 0.57 -0.88 1.92 1.57 -1.26 0.24 116.57 117.93 2k0s h LYS 41 Ca -0.07 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 2k0s h LYS 41 Cb 0.58 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2k0s h LYS 41 CO 0.12 0.61 0.57 -0.92 -0.57 0.00 0.00 179.45 179.26 2k0s h TYR 42 N 0.43 1.07 0.07 -1.35 5.03 -1.25 0.22 116.97 121.19 2k0s h TYR 42 Ca 0.11 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 2k0s h TYR 42 Cb 0.29 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.22 2k0s h TYR 42 CO 0.01 0.63 -0.03 -0.92 -1.32 0.00 0.00 178.16 176.53 2k0s h TYR 43 N 1.12 -0.09 -0.53 -3.82 3.20 -0.54 -3.23 116.97 113.09 2k0s h TYR 43 Ca 0.35 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.37 2k0s h TYR 43 Cb -0.02 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 2k0s h TYR 43 CO -0.02 0.49 0.38 -0.07 -1.64 0.00 0.00 178.16 177.30 2k0s h LEU 44 N -0.79 0.01 -1.93 2.82 -0.00 -0.41 0.34 115.31 115.35 2k0s h LEU 44 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k0s h LEU 44 Cb 0.61 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2k0s h LEU 44 CO 0.02 0.00 0.00 -0.33 -0.00 0.00 0.00 178.44 178.13 2k0s h GLU 45 N 0.01 0.00 0.00 1.13 5.08 -0.96 -3.37 114.58 116.47 2k0s h GLU 45 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2k0s h GLU 45 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2k0s h GLU 45 CO -0.01 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.19 2k0s n PHE 46 N -2.65 0.00 -3.97 4.33 3.01 0.10 -5.10 117.46 113.18 2k0s n PHE 46 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.39 2k0s n PHE 46 Cb 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 2k0s n PHE 46 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k0s n ASP 47 N -1.36 -0.26 -1.84 4.37 8.00 -0.27 -5.12 116.55 120.06 2k0s n ASP 47 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.89 2k0s n ASP 47 Cb 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2k0s n ASP 47 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2k0s n ASP 48 N -2.43 1.75 -2.64 -2.24 5.75 -1.26 -3.64 116.55 111.85 2k0s n ASP 48 Ca 0.02 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.81 2k0s n ASP 48 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 2k0s n ASP 48 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2k0s n SER 49 N -1.22 0.00 -1.19 -1.12 7.64 -1.26 -4.45 113.62 112.02 2k0s n SER 49 Ca 0.00 -0.34 -0.15 0.00 1.01 0.00 0.00 58.87 59.38 2k0s n SER 49 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2k0s n SER 49 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k0s n GLU 50 N -0.34 -1.10 -3.80 1.43 0.00 -1.26 -4.97 120.64 110.60 2k0s n GLU 50 Ca 0.00 1.04 -0.13 0.00 0.00 0.00 0.00 57.16 58.07 2k0s n GLU 50 Cb 0.00 -5.21 -0.14 0.00 0.00 0.00 0.00 31.44 26.09 2k0s n GLU 50 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2k0s s GLU 51 N -3.30 0.09 0.00 5.31 -1.05 -1.26 -4.98 118.70 113.50 2k0s s GLU 51 Ca 0.00 0.21 0.00 0.00 -0.15 0.00 0.00 54.97 55.03 2k0s s GLU 51 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 2k0s s GLU 51 CO 0.00 -0.07 0.00 0.09 0.95 0.00 0.00 175.26 176.23 2k0s n ASN 52 N 3.50 0.00 -0.53 0.83 3.02 -1.26 -4.95 115.26 115.87 2k0s n ASN 52 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2k0s n ASN 52 Cb 0.56 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2k0s n ASN 52 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2k0s n LYS 53 N -1.20 0.00 -0.06 3.52 4.81 -1.26 -4.91 118.16 119.06 2k0s n LYS 53 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 2k0s n LYS 53 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 2k0s n LYS 53 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2k0s h LEU 54 N 0.00 -0.00 0.00 3.14 3.38 -2.02 -2.92 115.31 116.89 2k0s h LEU 54 Ca 0.00 -0.88 -0.23 0.00 0.09 0.00 0.00 57.88 56.86 2k0s h LEU 54 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2k0s h LEU 54 CO 0.00 0.90 -1.76 -1.54 0.09 0.00 0.00 178.44 176.13 2k0s n SER 55 N -4.66 0.59 -0.06 -0.43 3.41 -1.26 -4.21 113.62 107.01 2k0s n SER 55 Ca -0.09 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 2k0s n SER 55 Cb 0.43 0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 64.81 2k0s n SER 55 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2k0s h TYR 56 N 0.00 1.01 0.00 7.33 -1.99 -1.96 -1.52 116.97 119.84 2k0s h TYR 56 Ca -0.27 -0.36 0.03 0.00 2.00 0.00 0.00 58.73 60.13 2k0s h TYR 56 Cb 1.79 -0.19 -0.06 0.00 2.00 0.00 0.00 36.73 40.28 2k0s h TYR 56 CO 0.00 1.17 -0.43 1.15 -0.00 0.00 0.00 178.16 180.05 2k0s h THR 57 N 0.61 0.14 0.14 -2.88 2.02 -1.68 0.40 112.91 111.66 2k0s h THR 57 Ca 0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 2k0s h THR 57 Cb 1.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2k0s h THR 57 CO 0.12 0.00 -0.07 1.55 0.37 0.00 0.00 175.52 177.49 2k0s h PRO 58 N -0.59 -0.18 -0.99 6.66 0.13 -1.74 -1.59 132.00 133.70 2k0s h PRO 58 Ca 0.04 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.35 2k0s h PRO 58 Cb 0.66 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 31.74 2k0s h PRO 58 CO -0.32 0.23 0.61 0.82 -0.23 0.00 0.00 178.00 179.12 2k0s h ILE 59 N -0.68 0.78 0.09 -3.56 2.04 -1.23 0.11 117.51 115.06 2k0s h ILE 59 Ca -0.02 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2k0s h ILE 59 Cb 0.50 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2k0s h ILE 59 CO 0.03 0.14 -0.04 0.15 0.00 0.00 0.00 178.15 178.43 2k0s h PHE 60 N 0.79 -0.11 -0.04 1.37 3.57 -0.20 -1.98 116.94 120.33 2k0s h PHE 60 Ca 0.53 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 62.07 2k0s h PHE 60 Cb 0.79 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 2k0s h PHE 60 CO -0.00 0.38 -0.25 -0.97 -2.23 0.00 0.00 178.31 175.24 2k0s h ASN 61 N -0.70 -0.74 0.36 0.41 -0.73 -0.67 0.15 115.58 113.66 2k0s h ASN 61 Ca -0.01 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.26 2k0s h ASN 61 Cb 0.55 0.31 -0.02 0.00 0.27 0.00 0.00 38.32 39.43 2k0s h ASN 61 CO 0.02 -0.31 -0.31 -0.33 -0.37 0.00 0.00 177.43 176.13 2k0s h GLU 62 N -0.36 -0.66 -0.35 6.67 5.08 -0.91 0.24 114.58 124.28 2k0s h GLU 62 Ca 0.07 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2k0s h GLU 62 Cb 0.47 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 2k0s h GLU 62 CO -0.25 -0.44 -0.17 1.88 -1.00 0.00 0.00 179.01 179.03 2k0s h TYR 63 N -0.68 -0.43 -0.30 4.33 -1.99 -1.13 0.43 116.97 117.20 2k0s h TYR 63 Ca -0.03 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 2k0s h TYR 63 Cb 0.60 0.24 -0.02 0.00 2.00 0.00 0.00 36.73 39.56 2k0s h TYR 63 CO -0.16 -0.25 0.05 0.82 -0.00 0.00 0.00 178.16 178.62 2k0s h ILE 64 N -0.11 1.15 -0.46 -2.88 1.08 -0.50 -1.77 117.51 114.03 2k0s h ILE 64 Ca 0.18 -0.56 -0.10 0.00 -0.39 0.00 0.00 64.86 63.98 2k0s h ILE 64 Cb 0.39 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 2k0s h ILE 64 CO -0.43 0.20 -0.12 1.05 -0.69 0.00 0.00 178.15 178.16 2k0s h GLU 65 N 0.43 0.84 0.12 2.37 4.11 0.14 -0.90 114.58 121.70 2k0s h GLU 65 Ca 0.10 -0.29 -0.01 0.00 0.07 0.00 0.00 59.36 59.23 2k0s h GLU 65 Cb 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2k0s h GLU 65 CO -0.00 0.92 -0.06 0.82 0.07 0.00 0.00 179.01 180.76 2k0s h ILE 66 N 0.76 1.06 -0.39 -1.06 2.04 -0.46 -0.04 117.51 119.43 2k0s h ILE 66 Ca 0.12 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 64.98 2k0s h ILE 66 Cb 0.63 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 2k0s h ILE 66 CO 0.04 0.24 0.19 0.25 0.00 0.00 0.00 178.15 178.86 2k0s h LEU 67 N -0.68 0.26 -1.03 1.44 6.46 -1.35 -1.87 115.31 118.54 2k0s h LEU 67 Ca -0.02 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 2k0s h LEU 67 Cb 0.51 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2k0s h LEU 67 CO 0.03 0.19 -0.30 1.05 -0.62 0.00 0.00 178.44 178.80 2k0s h GLU 68 N 0.38 0.33 0.58 1.25 4.11 -1.22 -1.70 114.58 118.32 2k0s h GLU 68 Ca 0.17 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.44 2k0s h GLU 68 Cb 0.08 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2k0s h GLU 68 CO -0.12 0.60 -0.28 0.87 0.07 0.00 0.00 179.01 180.15 2k0s h LYS 69 N 0.29 -0.76 0.19 1.06 1.57 -0.25 0.26 116.57 118.94 2k0s h LYS 69 Ca 0.04 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2k0s h LYS 69 Cb 0.67 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2k0s h LYS 69 CO 0.05 -0.50 -0.09 1.25 -0.57 0.00 0.00 179.45 179.59 2k0s h HIS 70 N -0.79 -0.24 -0.94 -1.35 2.76 -1.35 -1.38 115.15 111.87 2k0s h HIS 70 Ca -0.08 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.20 2k0s h HIS 70 Cb 0.60 0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.56 2k0s h HIS 70 CO -0.03 -0.00 0.57 -0.07 -1.30 0.00 0.00 177.93 177.09 2k0s h LEU 71 N -0.45 0.81 -0.24 0.26 3.38 -1.31 -1.19 115.31 116.57 2k0s h LEU 71 Ca -0.03 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2k0s h LEU 71 Cb 0.34 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k0s h LEU 71 CO 0.04 0.42 0.05 -0.08 0.09 0.00 0.00 178.44 178.96 2k0s h GLU 72 N 0.89 0.39 -0.48 1.13 4.81 -0.32 0.26 114.58 121.26 2k0s h GLU 72 Ca 0.47 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.64 2k0s h GLU 72 Cb 0.49 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2k0s h GLU 72 CO -0.28 0.52 0.32 0.37 -0.73 0.00 0.00 179.01 179.21 2k0s h GLN 73 N 0.21 0.49 0.00 1.92 4.15 -0.37 0.45 115.11 121.97 2k0s h GLN 73 Ca 0.07 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2k0s h GLN 73 Cb 0.31 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 2k0s h GLN 73 CO 0.00 0.33 -0.06 0.37 -1.93 0.00 0.00 178.83 177.54 2k0s h GLN 74 N 0.51 0.00 0.00 1.69 5.75 -0.97 -1.27 115.11 120.82 2k0s h GLN 74 Ca 0.20 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.67 2k0s h GLN 74 Cb 0.16 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 2k0s h GLN 74 CO -0.05 0.99 -0.12 -0.07 -2.65 0.00 0.00 178.83 176.94 2k0s h LEU 75 N -1.00 0.00 0.09 -2.39 3.38 -0.27 0.21 115.31 115.33 2k0s h LEU 75 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 2k0s h LEU 75 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2k0s h LEU 75 CO -0.01 0.12 -1.68 1.62 0.09 0.00 0.00 178.44 178.58 2k0s h VAL 76 N 0.00 0.96 -0.10 1.22 3.04 -0.19 -3.27 116.25 117.92 2k0s h VAL 76 Ca -0.00 -2.67 0.00 0.00 -1.01 0.00 0.00 66.70 63.02 2k0s h VAL 76 Cb 0.27 2.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.17 2k0s h VAL 76 CO 0.02 0.76 0.00 -0.62 -1.01 0.00 0.00 177.57 176.72 2k0s n GLU 77 N -3.36 1.63 -0.11 4.17 1.02 -0.48 -4.01 120.64 119.50 2k0s n GLU 77 Ca -0.20 -0.94 -0.25 0.00 -0.02 0.00 0.00 57.16 55.75 2k0s n GLU 77 Cb 1.04 -1.42 -0.11 0.00 -0.02 0.00 0.00 31.44 30.93 2k0s n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k0s n ARG 78 N 0.15 0.61 -3.89 3.49 5.12 0.71 -5.00 116.66 117.85 2k0s n ARG 78 Ca 0.17 0.33 -0.32 0.00 -1.93 0.00 0.00 57.85 56.10 2k0s n ARG 78 Cb 0.31 -1.59 0.01 0.00 -1.16 0.00 0.00 32.46 30.03 2k0s n ARG 78 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 2k0s n ILE 79 N -4.04 -2.02 0.05 0.55 3.06 -1.23 -4.82 119.36 110.91 2k0s n ILE 79 Ca -0.45 -0.34 -0.05 0.00 -2.50 0.00 0.00 62.75 59.41 2k0s n ILE 79 Cb 0.87 -1.74 0.15 0.00 0.54 0.00 0.00 39.64 39.46 2k0s n ILE 79 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 2k0s h PRO 80 N -0.92 0.38 0.00 9.51 0.13 -1.95 -3.47 132.00 135.69 2k0s h PRO 80 Ca -0.52 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2k0s h PRO 80 Cb 1.04 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2k0s h PRO 80 CO 0.36 0.76 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 2k0s n GLY 81 N -0.02 3.03 3.91 1.56 0.00 -1.26 -4.94 105.19 107.47 2k0s n GLY 81 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2k0s n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k0s s PHE 82 N -1.72 3.48 -0.13 1.61 0.08 -1.26 0.33 117.98 120.36 2k0s s PHE 82 Ca 0.00 0.52 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 2k0s s PHE 82 Cb 0.00 -2.00 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 2k0s s PHE 82 CO 0.00 0.29 1.03 0.09 -0.10 0.00 0.00 175.22 176.53 2k0s n ASN 83 N -0.67 -0.63 -2.03 1.36 3.02 -1.25 -4.50 115.26 110.57 2k0s n ASN 83 Ca -0.03 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 2k0s n ASN 83 Cb 0.54 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 2k0s n ASN 83 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 2k0s n MET 84 N 5.16 0.23 -1.69 3.52 0.00 -1.26 -4.54 117.12 118.55 2k0s n MET 84 Ca 0.14 0.00 -0.54 0.00 0.00 0.00 0.00 57.70 57.30 2k0s n MET 84 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.53 2k0s n MET 84 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2k0s n ASP 85 N -2.83 2.67 0.00 3.17 -0.08 -1.26 -4.08 116.55 114.14 2k0s n ASP 85 Ca 0.00 1.05 0.06 0.00 -1.51 0.00 0.00 54.79 54.39 2k0s n ASP 85 Cb 0.00 -1.22 0.29 0.00 2.34 0.00 0.00 41.12 42.52 2k0s n ASP 85 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0s n ALA 86 N 5.45 1.64 -0.34 -1.67 0.00 -1.25 -3.25 120.51 121.08 2k0s n ALA 86 Ca 0.24 -0.05 0.37 0.00 0.00 0.00 0.00 53.44 54.00 2k0s n ALA 86 Cb 0.19 -1.21 0.73 0.00 0.00 0.00 0.00 19.45 19.17 2k0s n ALA 86 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0s h PHE 87 N 0.00 0.00 -0.43 0.00 3.04 -1.87 0.28 116.94 117.96 2k0s h PHE 87 Ca 0.00 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.98 2k0s h PHE 87 Cb 0.18 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 2k0s h PHE 87 CO 0.00 0.00 0.23 0.00 -2.02 0.00 0.00 178.31 176.52 2k0s h THR 88 N 0.00 0.99 0.67 4.41 1.03 -1.94 0.78 112.91 118.85 2k0s h THR 88 Ca 0.59 -0.16 -0.03 0.00 -0.01 0.00 0.00 66.41 66.80 2k0s h THR 88 Cb 2.52 0.49 0.01 0.00 -1.07 0.00 0.00 68.15 70.10 2k0s h THR 88 CO -0.01 0.08 -0.32 -0.74 -0.01 0.00 0.00 175.52 174.52 2k0s h HIS 89 N 0.46 -0.84 0.00 0.00 -0.00 -0.73 -1.97 115.15 112.06 2k0s h HIS 89 Ca 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2k0s h HIS 89 Cb 0.07 0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 2k0s h HIS 89 CO -0.09 -0.52 0.00 0.45 -0.00 0.00 0.00 177.93 177.77 2k0s n SER 90 N -5.48 0.14 0.07 3.26 2.88 -1.14 -2.97 113.62 110.37 2k0s n SER 90 Ca -0.14 0.53 -0.04 0.00 -1.33 0.00 0.00 58.87 57.90 2k0s n SER 90 Cb 0.37 -0.56 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 2k0s n SER 90 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k0s h LEU 91 N 0.00 -0.22 0.00 2.46 5.85 0.12 -3.44 115.31 120.08 2k0s h LEU 91 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2k0s h LEU 91 Cb 0.30 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2k0s h LEU 91 CO 0.00 0.17 0.00 1.17 -0.34 0.00 0.00 178.44 179.44 2k0s n LYS 92 N -4.52 0.00 0.00 1.25 4.81 -0.80 -5.07 118.16 113.83 2k0s n LYS 92 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2k0s n LYS 92 Cb 0.10 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2k0s n LYS 92 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2k0s n GLN 93 N -0.21 0.00 -3.08 1.64 6.02 -1.16 -5.08 117.38 115.51 2k0s n GLN 93 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 2k0s n GLN 93 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 2k0s n GLN 93 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 2k0s s HIS 94 N -0.29 -1.37 -2.00 1.08 -3.43 -1.23 -4.51 115.29 103.54 2k0s s HIS 94 Ca 0.00 0.18 0.11 0.00 -0.80 0.00 0.00 55.06 54.55 2k0s s HIS 94 Cb 0.00 0.25 0.66 0.00 -1.43 0.00 0.00 32.58 32.06 2k0s s HIS 94 CO 0.00 -0.93 1.40 0.36 -2.00 0.00 0.00 174.74 173.57 2k0s n LYS 95 N 4.17 0.97 -0.30 -0.38 2.85 -1.26 -4.06 118.16 120.15 2k0s n LYS 95 Ca 0.10 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.49 2k0s n LYS 95 Cb 0.59 -1.18 0.29 0.00 -0.65 0.00 0.00 35.03 34.08 2k0s n LYS 95 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 2k0s h ASP 96 N 0.00 0.05 -1.41 -5.58 2.03 -1.94 0.53 116.42 110.11 2k0s h ASP 96 Ca 0.00 0.19 0.41 0.00 -0.73 0.00 0.00 57.03 56.90 2k0s h ASP 96 Cb 0.00 0.24 -0.06 0.00 -0.83 0.00 0.00 39.33 38.68 2k0s h ASP 96 CO 0.00 -0.13 1.01 -0.33 -1.03 0.00 0.00 179.24 178.75 2k0s h GLU 97 N 0.24 0.02 -1.43 4.15 5.08 -2.04 -3.30 114.58 117.30 2k0s h GLU 97 Ca 0.55 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.76 2k0s h GLU 97 Cb 1.10 -0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.09 2k0s h GLU 97 CO -0.63 0.01 -0.51 0.08 -1.00 0.00 0.00 179.01 176.96 2k0s s VAL 98 N -4.96 -0.75 0.43 3.13 1.01 0.19 -5.10 120.40 114.35 2k0s s VAL 98 Ca -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2k0s s VAL 98 Cb 0.24 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2k0s s VAL 98 CO 0.83 -0.21 0.15 -0.24 0.00 0.00 0.00 175.10 175.63 2k0s n SER 99 N 4.94 2.82 0.28 3.32 2.88 -1.18 -4.88 113.62 121.80 2k0s n SER 99 Ca 0.06 -2.69 0.11 0.00 -1.33 0.00 0.00 58.87 55.02 2k0s n SER 99 Cb 0.51 0.15 0.56 0.00 -0.75 0.00 0.00 64.21 64.68 2k0s n SER 99 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2k0s h GLY 100 N 0.79 0.00 -0.28 0.46 0.00 -1.79 -2.74 103.07 99.51 2k0s h GLY 100 Ca -0.32 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.05 2k0s h GLY 100 CO 0.51 0.00 -0.38 -1.80 0.00 0.00 0.00 176.54 174.87 2k0s h ASP 101 N 0.00 -1.27 0.73 0.19 3.58 -1.88 2.35 116.42 120.13 2k0s h ASP 101 Ca 0.00 0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2k0s h ASP 101 Cb 0.84 0.52 0.01 0.00 1.72 0.00 0.00 39.33 42.42 2k0s h ASP 101 CO 0.00 -0.27 -0.35 -0.29 -2.88 0.00 0.00 179.24 175.44 2k0s h ILE 102 N -0.27 0.13 -0.57 2.25 2.10 -1.78 -2.79 117.51 116.59 2k0s h ILE 102 Ca 0.05 -0.22 0.17 0.00 1.08 0.00 0.00 64.86 65.94 2k0s h ILE 102 Cb 0.40 0.17 -0.02 0.00 -1.09 0.00 0.00 36.82 36.28 2k0s h ILE 102 CO -0.40 0.01 0.48 -0.07 -1.08 0.00 0.00 178.15 177.09 2k0s h LEU 103 N -1.17 0.00 -0.54 2.19 -0.00 -1.61 0.74 115.31 114.92 2k0s h LEU 103 Ca -0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.71 2k0s h LEU 103 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 2k0s h LEU 103 CO 0.17 0.00 0.06 -0.78 -0.00 0.00 0.00 178.44 177.89 2k0s h ASP 104 N 0.00 0.88 -0.89 -0.43 3.58 0.87 0.58 116.42 121.02 2k0s h ASP 104 Ca 0.27 -0.28 0.12 0.00 0.42 0.00 0.00 57.03 57.56 2k0s h ASP 104 Cb 1.22 -0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.97 2k0s h ASP 104 CO -0.00 0.94 0.57 0.24 -2.88 0.00 0.00 179.24 178.11 2k0s h MET 105 N 0.80 0.78 0.00 0.28 2.86 -0.63 1.70 114.93 120.72 2k0s h MET 105 Ca 0.16 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 2k0s h MET 105 Cb 0.45 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2k0s h MET 105 CO 0.02 0.52 -0.68 -0.07 1.06 0.00 0.00 176.91 177.75 2k0s h LEU 106 N 0.80 0.00 0.00 1.22 -0.00 -1.49 -3.35 115.31 112.49 2k0s h LEU 106 Ca 0.43 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2k0s h LEU 106 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2k0s h LEU 106 CO -0.19 0.97 0.00 0.18 -0.00 0.00 0.00 178.44 179.40 2k0s n LEU 107 N -4.57 0.00 0.20 1.67 7.99 0.20 -3.96 117.00 118.53 2k0s n LEU 107 Ca -0.14 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 55.93 2k0s n LEU 107 Cb 0.38 0.00 0.14 0.00 -0.11 0.00 0.00 43.42 43.83 2k0s n LEU 107 CO 0.13 0.00 1.07 0.74 -1.51 0.00 0.00 177.39 177.82 2k0s h THR 108 N 0.00 0.00 -1.55 -5.08 2.02 0.24 0.37 112.91 108.92 2k0s h THR 108 Ca 0.00 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.63 2k0s h THR 108 Cb 0.00 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.38 2k0s h THR 108 CO 0.00 0.00 1.15 0.15 0.37 0.00 0.00 175.52 177.19 2k0s h PHE 109 N 0.00 0.00 -1.36 3.16 3.57 -1.82 -3.06 116.94 117.43 2k0s h PHE 109 Ca 0.12 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.28 2k0s h PHE 109 Cb 2.16 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 40.65 2k0s h PHE 109 CO 0.00 0.00 -0.70 -2.37 -2.23 0.00 0.00 178.31 173.01 2k0s n THR 110 N -3.98 -0.45 -0.71 4.41 5.66 0.12 -5.15 114.28 114.18 2k0s n THR 110 Ca 0.34 -2.12 -0.11 0.00 -3.05 0.00 0.00 64.05 59.11 2k0s n THR 110 Cb 1.63 -0.03 0.06 0.00 -1.55 0.00 0.00 70.33 70.43 2k0s n THR 110 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2k0s n ASP 111 N 2.55 -2.47 0.00 1.09 5.75 -1.16 -4.60 116.55 117.72 2k0s n ASP 111 Ca 0.21 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 2k0s n ASP 111 Cb 0.54 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 2k0s n ASP 111 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2k0s n PHE 112 N -3.55 0.00 -0.38 2.11 -1.74 -1.26 -2.78 117.46 109.86 2k0s n PHE 112 Ca 0.02 0.00 0.35 0.00 -0.56 0.00 0.00 57.45 57.26 2k0s n PHE 112 Cb 0.22 -0.40 0.62 0.00 1.52 0.00 0.00 39.48 41.44 2k0s n PHE 112 CO 0.00 0.00 0.00 0.52 -0.56 0.00 0.00 176.76 176.72 2k0s h MET 113 N 0.00 0.01 0.02 3.97 2.86 -1.91 1.13 114.93 121.00 2k0s h MET 113 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0s h MET 113 Cb 0.20 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2k0s h MET 113 CO 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 177.97 2k0s h ALA 114 N 1.85 -0.02 0.51 6.32 0.00 -1.79 -2.54 119.26 123.59 2k0s h ALA 114 Ca 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.62 2k0s h ALA 114 Cb 2.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 2k0s h ALA 114 CO -0.65 -0.02 -0.37 0.35 0.00 0.00 0.00 179.25 178.55 2k0s h PHE 115 N -1.00 -1.00 -1.00 0.00 3.04 -1.25 -2.63 116.94 113.10 2k0s h PHE 115 Ca -0.00 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.02 2k0s h PHE 115 Cb 0.29 0.37 -0.07 0.00 2.56 0.00 0.00 35.95 39.10 2k0s h PHE 115 CO 0.08 -0.55 0.64 -0.22 -2.02 0.00 0.00 178.31 176.23 2k0s h LYS 116 N -0.87 1.10 -0.48 1.11 3.11 0.10 0.39 116.57 121.04 2k0s h LYS 116 Ca -0.06 -0.07 0.06 0.00 -2.81 0.00 0.00 60.65 57.78 2k0s h LYS 116 Cb 0.73 -0.25 -0.09 0.00 -1.00 0.00 0.00 32.23 31.62 2k0s h LYS 116 CO 0.02 0.72 -0.53 1.49 -2.81 0.00 0.00 179.45 178.35 2k0s h GLU 117 N 1.13 -0.33 0.00 1.90 4.57 -1.08 1.27 114.58 122.04 2k0s h GLU 117 Ca 0.44 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 2k0s h GLU 117 Cb 0.23 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2k0s h GLU 117 CO -0.19 -0.22 -0.00 0.52 -1.18 0.00 0.00 179.01 177.94 2k0s h MET 118 N -0.34 -0.00 0.28 1.92 2.86 -1.33 -2.67 114.93 115.65 2k0s h MET 118 Ca 0.10 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2k0s h MET 118 Cb 0.58 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2k0s h MET 118 CO -0.63 0.64 -0.43 0.35 1.06 0.00 0.00 176.91 177.89 2k0s h PHE 119 N -1.00 -1.23 -0.68 -0.22 3.57 -0.15 -1.96 116.94 115.28 2k0s h PHE 119 Ca -0.00 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.60 2k0s h PHE 119 Cb 0.65 0.50 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 2k0s h PHE 119 CO 0.18 -0.54 0.34 1.15 -2.23 0.00 0.00 178.31 177.22 2k0s h THR 120 N -0.75 0.88 -0.66 4.41 2.02 0.15 0.40 112.91 119.36 2k0s h THR 120 Ca -0.03 -0.21 0.14 0.00 0.77 0.00 0.00 66.41 67.08 2k0s h THR 120 Cb 0.69 0.22 -0.12 0.00 -1.74 0.00 0.00 68.15 67.21 2k0s h THR 120 CO -0.14 0.11 -0.04 -0.78 0.37 0.00 0.00 175.52 175.04 2k0s h ASP 121 N 0.60 -0.37 0.00 4.18 3.58 -1.09 1.00 116.42 124.32 2k0s h ASP 121 Ca 0.33 0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.95 2k0s h ASP 121 Cb 0.31 0.32 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 2k0s h ASP 121 CO -0.24 -0.16 -0.01 0.22 -2.88 0.00 0.00 179.24 176.18 2k0s h TYR 122 N 0.08 0.00 -0.25 0.28 3.20 -0.64 -2.52 116.97 117.13 2k0s h TYR 122 Ca 0.34 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.27 2k0s h TYR 122 Cb 0.56 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 2k0s h TYR 122 CO -0.42 0.37 -0.31 0.00 -1.64 0.00 0.00 178.16 176.16 2k0s h ARG 123 N -1.00 -0.31 0.57 1.82 2.47 -0.06 0.38 114.38 118.25 2k0s h ARG 123 Ca -0.00 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 2k0s h ARG 123 Cb 0.37 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2k0s h ARG 123 CO -0.00 -0.21 -0.27 0.00 0.56 0.00 0.00 179.97 180.05 2k0s h ALA 124 N 0.60 -1.15 -0.84 0.04 0.00 0.88 -2.59 119.26 116.20 2k0s h ALA 124 Ca 0.13 -0.17 0.24 0.00 0.00 0.00 0.00 54.91 55.12 2k0s h ALA 124 Cb 0.53 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k0s h ALA 124 CO -0.42 -1.10 0.77 1.49 0.00 0.00 0.00 179.25 179.99 2k0s h GLU 125 N -0.80 0.00 -0.03 0.00 4.81 -1.33 0.45 114.58 117.69 2k0s h GLU 125 Ca -0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2k0s h GLU 125 Cb 0.59 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k0s h GLU 125 CO 0.13 0.00 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.19 2k0s h LYS 126 N 0.00 0.06 0.00 1.92 3.64 0.14 -3.04 116.57 119.29 2k0s h LYS 126 Ca 0.40 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2k0s h LYS 126 Cb 1.94 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2k0s h LYS 126 CO -0.00 0.36 -0.27 0.39 -2.27 0.00 0.00 179.45 177.66 2k0s n GLU 127 N -4.90 0.02 -2.24 1.90 -0.58 0.54 -4.94 120.64 110.44 2k0s n GLU 127 Ca -0.07 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2k0s n GLU 127 Cb 0.19 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 2k0s n GLU 127 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k0s n GLY 128 N 1.49 0.95 0.00 0.62 0.00 0.13 -4.93 105.19 103.46 2k0s n GLY 128 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2k0s n GLY 128 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k0s n ARG 129 N -0.46 0.00 0.00 1.61 -4.01 -0.83 -4.98 116.66 107.99 2k0s n ARG 129 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2k0s n ARG 129 Cb 0.45 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.87 2k0s n ARG 129 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00