#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 -0.82 0.00 1.61 5.65 -1.26 -5.17 115.29 115.30 2k0s s HIS 2 Ca 0.00 0.44 -0.10 0.00 0.25 0.00 0.00 55.06 55.65 2k0s s HIS 2 Cb 0.00 0.14 0.01 0.00 -1.18 0.00 0.00 32.58 31.55 2k0s s HIS 2 CO 0.00 -0.49 0.21 -1.01 -0.65 0.00 0.00 174.74 172.80 2k0s s HIS 3 N 2.82 -0.03 0.00 3.88 0.09 -1.26 -5.18 115.29 115.61 2k0s s HIS 3 Ca 0.22 -0.02 0.00 0.00 -0.00 0.00 0.00 55.06 55.27 2k0s s HIS 3 Cb -0.03 0.01 0.00 0.00 -0.00 0.00 0.00 32.58 32.55 2k0s s HIS 3 CO -0.23 -0.35 0.00 -2.39 -0.00 0.00 0.00 174.74 171.78 2k0s n HIS 4 N 1.27 -2.79 -3.06 1.40 1.44 -1.26 -5.13 115.22 107.09 2k0s n HIS 4 Ca -0.22 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.52 2k0s n HIS 4 Cb 0.56 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.67 2k0s n HIS 4 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k0s s HIS 5 N 0.87 -0.98 -0.02 -1.40 -3.43 -1.26 -5.17 115.29 103.90 2k0s s HIS 5 Ca 0.00 0.38 -0.07 0.00 -0.80 0.00 0.00 55.06 54.57 2k0s s HIS 5 Cb 0.00 0.17 0.02 0.00 -1.43 0.00 0.00 32.58 31.35 2k0s s HIS 5 CO 0.00 -0.62 0.31 1.58 -2.00 0.00 0.00 174.74 174.01 2k0s n HIS 6 N 4.65 -0.03 -1.30 0.38 -0.00 -1.26 -5.15 115.22 112.50 2k0s n HIS 6 Ca 0.08 -0.12 -0.36 0.00 -0.00 0.00 0.00 57.72 57.31 2k0s n HIS 6 Cb 0.58 0.05 0.07 0.00 -0.00 0.00 0.00 29.99 30.69 2k0s n HIS 6 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k0s n HIS 7 N -0.22 -0.52 0.00 1.57 -0.00 -1.26 -4.80 115.22 109.99 2k0s n HIS 7 Ca 0.02 0.37 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 2k0s n HIS 7 Cb 0.13 -1.95 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 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 -0.44 0.00 -3.07 2.39 0.00 -1.26 -5.01 117.00 109.61 2k0s n LEU 8 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.83 2k0s n LEU 8 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.87 2k0s n LEU 8 CO 0.50 0.00 2.73 -0.62 0.00 0.00 0.00 177.39 180.00 2k0s n GLU 9 N -0.08 2.80 -0.04 1.96 1.02 -1.26 -3.54 120.64 121.50 2k0s n GLU 9 Ca 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 57.16 55.42 2k0s n GLU 9 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 31.44 28.89 2k0s n GLU 9 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2k0s n ASP 10 N 3.65 0.00 -0.15 1.62 5.75 -1.26 -4.82 116.55 121.34 2k0s n ASP 10 Ca 0.60 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 2k0s n ASP 10 Cb 0.28 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2k0s n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k0s n ALA 11 N 0.00 1.30 -2.43 2.12 0.00 -1.23 -5.09 120.51 115.18 2k0s n ALA 11 Ca 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 2k0s n ALA 11 Cb 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 2k0s n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0s n ASP 12 N 0.00 -3.25 0.13 0.00 2.03 -1.26 -4.89 116.55 109.30 2k0s n ASP 12 Ca 0.00 1.13 -0.02 0.00 0.52 0.00 0.00 54.79 56.42 2k0s n ASP 12 Cb 0.55 -4.50 0.15 0.00 -0.72 0.00 0.00 41.12 36.60 2k0s n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0s h ALA 13 N 2.97 0.94 -0.14 -1.67 0.00 -1.97 -3.29 119.26 116.10 2k0s h ALA 13 Ca -0.27 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.11 2k0s h ALA 13 Cb 0.61 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2k0s h ALA 13 CO 0.04 0.77 -0.52 1.49 0.00 0.00 0.00 179.25 181.03 2k0s h GLU 14 N 0.04 -0.54 -0.96 0.00 4.81 -1.99 0.39 114.58 116.32 2k0s h GLU 14 Ca -0.01 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 2k0s h GLU 14 Cb 1.11 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.53 2k0s h GLU 14 CO 0.08 -0.36 0.61 0.35 -0.73 0.00 0.00 179.01 178.96 2k0s h PHE 15 N -0.57 0.94 -0.39 0.92 3.57 -1.91 0.39 116.94 119.89 2k0s h PHE 15 Ca 0.04 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 2k0s h PHE 15 Cb 0.67 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2k0s h PHE 15 CO -0.57 0.29 -0.27 0.22 -2.23 0.00 0.00 178.31 175.75 2k0s h ASP 16 N 0.74 0.84 0.66 0.41 3.58 -1.14 -0.66 116.42 120.85 2k0s h ASP 16 Ca 0.51 -0.33 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 2k0s h ASP 16 Cb 0.80 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.62 2k0s h ASP 16 CO -0.27 1.06 -0.32 0.40 -2.88 0.00 0.00 179.24 177.23 2k0s h ILE 17 N 0.70 0.25 -0.66 2.25 2.04 0.18 -1.78 117.51 120.49 2k0s h ILE 17 Ca 0.08 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2k0s h ILE 17 Cb 0.81 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2k0s h ILE 17 CO 0.07 0.02 0.36 -0.37 0.00 0.00 0.00 178.15 178.23 2k0s h VAL 18 N -1.06 1.20 0.43 1.67 -1.51 -1.33 -2.06 116.25 113.58 2k0s h VAL 18 Ca -0.09 -0.50 -0.01 0.00 -1.23 0.00 0.00 66.70 64.86 2k0s h VAL 18 Cb 0.72 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 2k0s h VAL 18 CO 0.15 0.22 -0.28 0.40 -1.23 0.00 0.00 177.57 176.83 2k0s h ILE 19 N 0.92 0.42 -0.38 7.19 1.08 -1.05 0.25 117.51 125.94 2k0s h ILE 19 Ca 0.23 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.72 2k0s h ILE 19 Cb 0.03 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 2k0s h ILE 19 CO -0.04 0.00 0.23 1.23 -0.69 0.00 0.00 178.15 178.88 2k0s h GLY 20 N -0.68 0.53 2.00 5.37 0.00 -1.16 -1.65 103.07 107.48 2k0s h GLY 20 Ca -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2k0s h GLY 20 CO 0.03 0.16 -0.14 3.43 0.00 0.00 0.00 176.54 180.02 2k0s h ASN 21 N 0.47 0.00 -0.17 0.19 2.35 -1.25 -2.48 115.58 114.69 2k0s h ASN 21 Ca 0.15 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.75 2k0s h ASN 21 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2k0s h ASN 21 CO -0.06 0.14 -0.46 0.40 -1.65 0.00 0.00 177.43 175.80 2k0s h ILE 22 N 0.00 1.33 0.00 2.81 1.08 0.41 0.67 117.51 123.81 2k0s h ILE 22 Ca -0.00 -1.72 -0.05 0.00 -0.39 0.00 0.00 64.86 62.70 2k0s h ILE 22 Cb 0.42 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.13 2k0s h ILE 22 CO 0.02 0.53 -0.24 1.05 -0.69 0.00 0.00 178.15 178.82 2k0s h GLU 23 N 0.27 0.00 0.09 2.37 4.11 -1.10 -3.08 114.58 117.25 2k0s h GLU 23 Ca -0.01 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.06 2k0s h GLU 23 Cb 1.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 2k0s h GLU 23 CO 0.10 0.24 -2.01 -0.25 0.07 0.00 0.00 179.01 177.16 2k0s n ASP 24 N -3.47 2.07 0.05 3.06 8.00 -0.96 -4.11 116.55 121.19 2k0s n ASP 24 Ca -0.00 0.18 0.21 0.00 0.71 0.00 0.00 54.79 55.89 2k0s n ASP 24 Cb 0.41 -0.80 0.74 0.00 -0.02 0.00 0.00 41.12 41.45 2k0s n ASP 24 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2k0s h ILE 25 N -0.08 0.51 0.00 0.53 -0.00 0.36 -0.97 117.51 117.85 2k0s h ILE 25 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.41 2k0s h ILE 25 Cb 1.93 0.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.43 2k0s h ILE 25 CO 0.01 0.00 0.60 0.16 -0.00 0.00 0.00 178.15 178.93 2k0s h ILE 26 N 0.00 0.00 0.02 2.19 -2.65 -1.69 1.15 117.51 116.53 2k0s h ILE 26 Ca 0.22 0.00 -0.31 0.00 1.03 0.00 0.00 64.86 65.80 2k0s h ILE 26 Cb 1.07 0.32 -0.05 0.00 -2.05 0.00 0.00 36.82 36.11 2k0s h ILE 26 CO -0.00 0.00 -1.84 0.23 0.03 0.00 0.00 178.15 176.57 2k0s n MET 27 N -2.54 0.66 -3.63 0.16 2.81 -0.37 -3.99 117.12 110.23 2k0s n MET 27 Ca -0.01 0.26 -0.05 0.00 -1.81 0.00 0.00 57.70 56.10 2k0s n MET 27 Cb 0.62 -1.75 -0.06 0.00 -0.71 0.00 0.00 33.22 31.32 2k0s n MET 27 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k0s s GLU 28 N -2.58 0.57 0.35 0.03 2.12 0.40 -4.83 118.70 114.77 2k0s s GLU 28 Ca -0.09 1.05 0.11 0.00 0.36 0.00 0.00 54.97 56.40 2k0s s GLU 28 Cb 0.08 0.21 0.65 0.00 0.26 0.00 0.00 34.13 35.33 2k0s s GLU 28 CO 0.81 -0.13 1.80 -0.44 -0.54 0.00 0.00 175.26 176.76 2k0s h ASP 29 N 6.84 0.06 -0.83 -1.70 3.32 -1.91 -3.10 116.42 119.11 2k0s h ASP 29 Ca -0.27 -0.02 0.20 0.00 0.02 0.00 0.00 57.03 56.96 2k0s h ASP 29 Cb 1.20 -0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.59 2k0s h ASP 29 CO 0.16 0.44 0.07 1.05 -1.72 0.00 0.00 179.24 179.24 2k0s h GLU 30 N 0.06 0.12 -0.70 3.56 4.11 -1.96 0.72 114.58 120.49 2k0s h GLU 30 Ca 0.00 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.53 2k0s h GLU 30 Cb 0.69 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2k0s h GLU 30 CO 0.05 0.08 0.46 0.74 0.07 0.00 0.00 179.01 180.41 2k0s h PHE 31 N 0.12 0.56 -0.66 2.06 -1.00 -1.91 -1.13 116.94 114.98 2k0s h PHE 31 Ca 0.48 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 61.24 2k0s h PHE 31 Cb 0.90 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 40.25 2k0s h PHE 31 CO -0.39 0.26 0.27 0.37 -1.61 0.00 0.00 178.31 177.20 2k0s h GLN 32 N 0.52 0.99 -0.48 1.51 -0.00 0.31 -1.48 115.11 116.48 2k0s h GLN 32 Ca 0.33 -0.18 0.07 0.00 -0.00 0.00 0.00 58.65 58.87 2k0s h GLN 32 Cb 0.57 -0.16 -0.06 0.00 0.00 0.00 0.00 27.48 27.83 2k0s h GLN 32 CO -0.11 0.82 0.16 1.25 0.00 0.00 0.00 178.83 180.96 2k0s h HIS 33 N 0.94 0.28 0.41 3.99 2.76 -0.93 0.49 115.15 123.08 2k0s h HIS 33 Ca 0.22 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 2k0s h HIS 33 Cb 0.20 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.11 2k0s h HIS 33 CO 0.01 0.09 -0.20 1.25 -1.30 0.00 0.00 177.93 177.78 2k0s h LEU 34 N 0.33 -0.47 0.12 0.26 5.85 -1.41 -2.14 115.31 117.86 2k0s h LEU 34 Ca 0.23 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2k0s h LEU 34 Cb 0.25 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2k0s h LEU 34 CO -0.25 -0.10 -0.31 1.56 -0.34 0.00 0.00 178.44 179.00 2k0s h GLN 35 N -0.88 -0.52 -0.35 1.25 1.08 -1.10 -1.57 115.11 113.03 2k0s h GLN 35 Ca -0.06 0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 2k0s h GLN 35 Cb 0.55 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 28.02 2k0s h GLN 35 CO 0.09 -0.35 -0.31 0.37 -0.95 0.00 0.00 178.83 177.68 2k0s h GLN 36 N -0.54 -0.26 -0.72 1.46 -0.00 -0.09 0.18 115.11 115.14 2k0s h GLN 36 Ca 0.03 0.02 0.16 0.00 -0.00 0.00 0.00 58.65 58.86 2k0s h GLN 36 Cb 0.57 0.06 -0.04 0.00 0.00 0.00 0.00 27.48 28.06 2k0s h GLN 36 CO -0.18 -0.17 0.49 1.03 0.00 0.00 0.00 178.83 179.99 2k0s h SER 37 N -0.27 0.28 0.43 -0.69 0.87 -1.07 0.29 113.55 113.39 2k0s h SER 37 Ca 0.16 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2k0s h SER 37 Cb 0.53 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2k0s h SER 37 CO -0.50 0.14 -0.21 0.15 -0.53 0.00 0.00 176.83 175.89 2k0s h PHE 38 N 0.30 -0.53 -0.26 2.24 3.57 0.37 -1.66 116.94 120.96 2k0s h PHE 38 Ca 0.35 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.67 2k0s h PHE 38 Cb 0.95 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 2k0s h PHE 38 CO -0.00 -0.31 -0.54 0.52 -2.23 0.00 0.00 178.31 175.75 2k0s h MET 39 N -0.61 0.78 -0.30 1.11 2.86 -0.92 -1.49 114.93 116.35 2k0s h MET 39 Ca -0.06 -0.48 0.07 0.00 -2.06 0.00 0.00 59.70 57.16 2k0s h MET 39 Cb 0.46 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.11 2k0s h MET 39 CO 0.10 1.11 -0.13 1.49 1.06 0.00 0.00 176.91 180.53 2k0s h GLU 40 N 0.60 -0.08 -0.10 1.72 4.22 -0.38 0.27 114.58 120.81 2k0s h GLU 40 Ca 0.02 0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.38 2k0s h GLU 40 Cb 1.12 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2k0s h GLU 40 CO 0.11 -0.06 -0.26 -0.22 -2.18 0.00 0.00 179.01 176.41 2k0s h LYS 41 N -0.09 0.36 -0.82 1.92 3.64 -1.32 -1.18 116.57 119.09 2k0s h LYS 41 Ca 0.15 -0.25 0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2k0s h LYS 41 Cb 0.32 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 2k0s h LYS 41 CO -0.36 0.86 0.43 -0.92 -2.27 0.00 0.00 179.45 177.19 2k0s h TYR 42 N -0.08 0.76 0.02 1.91 3.20 -0.93 0.12 116.97 121.96 2k0s h TYR 42 Ca -0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 2k0s h TYR 42 Cb 0.86 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2k0s h TYR 42 CO 0.11 0.23 -0.01 1.88 -1.64 0.00 0.00 178.16 178.73 2k0s h TYR 43 N 0.66 -0.02 -0.16 -3.82 -1.99 -0.49 -3.16 116.97 107.98 2k0s h TYR 43 Ca 0.42 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.20 2k0s h TYR 43 Cb 0.52 0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 2k0s h TYR 43 CO -0.09 0.63 0.23 -0.07 -0.00 0.00 0.00 178.16 178.87 2k0s h LEU 44 N -0.71 0.00 -0.95 3.88 -0.00 -0.82 -0.47 115.31 116.23 2k0s h LEU 44 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2k0s h LEU 44 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.28 2k0s h LEU 44 CO 0.00 0.00 0.63 -0.08 -0.00 0.00 0.00 178.44 178.99 2k0s h GLU 45 N 0.00 1.22 0.00 1.13 4.81 -0.74 -3.45 114.58 117.56 2k0s h GLU 45 Ca 0.07 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k0s h GLU 45 Cb 0.54 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2k0s h GLU 45 CO -0.00 0.81 0.00 0.34 -0.73 0.00 0.00 179.01 179.43 2k0s n PHE 46 N -4.44 0.00 -1.42 0.92 -0.00 -0.30 -5.12 117.46 107.10 2k0s n PHE 46 Ca 0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.20 2k0s n PHE 46 Cb 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 39.59 2k0s n PHE 46 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2k0s n ASP 47 N -0.22 -0.25 -4.79 -2.13 8.00 -0.54 -5.02 116.55 111.59 2k0s n ASP 47 Ca 0.00 0.69 -0.27 0.00 0.71 0.00 0.00 54.79 55.92 2k0s n ASP 47 Cb 0.00 -1.30 -0.05 0.00 -0.02 0.00 0.00 41.12 39.75 2k0s n ASP 47 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2k0s s ASP 48 N -1.41 4.40 0.00 -2.24 -4.77 -1.26 -4.45 116.67 106.94 2k0s s ASP 48 Ca 0.71 -1.29 0.00 0.00 -3.30 0.00 0.00 52.55 48.67 2k0s s ASP 48 Cb -0.38 0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.51 2k0s s ASP 48 CO 0.52 -0.79 0.00 -1.20 0.70 0.00 0.00 175.17 174.40 2k0s n SER 49 N -1.40 1.86 -1.05 2.11 7.64 -1.26 -4.82 113.62 116.69 2k0s n SER 49 Ca -0.06 -0.31 -0.12 0.00 1.01 0.00 0.00 58.87 59.38 2k0s n SER 49 Cb 0.65 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 -0.89 0.00 1.43 2.13 -1.26 -4.80 120.64 117.25 2k0s n GLU 50 Ca 0.00 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2k0s n GLU 50 Cb 0.00 -4.93 0.00 0.00 0.27 0.00 0.00 31.44 26.78 2k0s n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k0s n GLU 51 N -2.54 0.00 -2.57 5.31 2.13 -1.26 -4.52 120.64 117.19 2k0s n GLU 51 Ca -0.13 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.70 2k0s n GLU 51 Cb 0.45 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.21 2k0s n GLU 51 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k0s n ASN 52 N -3.42 1.43 -4.80 4.31 5.15 -1.26 -4.93 115.26 111.74 2k0s n ASN 52 Ca 0.00 -2.02 -0.32 0.00 -0.60 0.00 0.00 54.58 51.64 2k0s n ASN 52 Cb 0.00 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 38.76 2k0s n ASN 52 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2k0s s LYS 53 N -3.02 2.22 -0.11 1.20 -0.14 -1.26 -4.98 119.74 113.66 2k0s s LYS 53 Ca 0.28 -2.36 -0.04 0.00 -1.36 0.00 0.00 55.97 52.49 2k0s s LYS 53 Cb 0.33 -1.63 -0.01 0.00 -1.68 0.00 0.00 37.83 34.84 2k0s s LYS 53 CO -0.07 -0.44 -0.07 -0.07 -0.76 0.00 0.00 175.35 173.94 2k0s h LEU 54 N 1.20 0.00 0.00 3.17 3.38 -1.98 -3.30 115.31 117.77 2k0s h LEU 54 Ca -0.43 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.37 2k0s h LEU 54 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2k0s h LEU 54 CO 0.70 0.56 -1.82 -1.54 0.09 0.00 0.00 178.44 176.43 2k0s n SER 55 N -4.47 0.41 0.05 -0.43 3.41 -1.26 -4.22 113.62 107.11 2k0s n SER 55 Ca -0.03 0.18 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 2k0s n SER 55 Cb 0.11 0.85 0.05 0.00 -0.26 0.00 0.00 64.21 64.97 2k0s n SER 55 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2k0s h TYR 56 N 0.00 0.54 0.39 7.33 3.20 -1.98 -1.60 116.97 124.85 2k0s h TYR 56 Ca -0.23 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 2k0s h TYR 56 Cb 1.61 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 2k0s h TYR 56 CO 0.00 0.95 -0.29 1.15 -1.64 0.00 0.00 178.16 178.33 2k0s h THR 57 N 0.29 0.39 0.14 1.81 2.02 -1.73 0.50 112.91 116.33 2k0s h THR 57 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2k0s h THR 57 Cb 1.21 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2k0s h THR 57 CO 0.11 0.00 -0.07 1.55 0.37 0.00 0.00 175.52 177.49 2k0s h PRO 58 N -0.67 -0.18 -0.79 6.66 0.13 -1.74 -1.97 132.00 133.44 2k0s h PRO 58 Ca -0.03 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.27 2k0s h PRO 58 Cb 0.58 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 2k0s h PRO 58 CO 0.00 0.24 0.53 0.97 -0.23 0.00 0.00 178.00 179.51 2k0s h ILE 59 N -0.67 0.76 0.11 -3.56 2.10 -1.33 0.27 117.51 115.17 2k0s h ILE 59 Ca -0.02 -0.14 -0.01 0.00 1.08 0.00 0.00 64.86 65.78 2k0s h ILE 59 Cb 0.50 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.56 2k0s h ILE 59 CO 0.03 0.07 -0.05 0.15 -1.08 0.00 0.00 178.15 177.27 2k0s h PHE 60 N 0.40 -0.13 0.14 2.19 3.57 -0.88 -2.17 116.94 120.06 2k0s h PHE 60 Ca 0.40 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 2k0s h PHE 60 Cb 0.96 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 2k0s h PHE 60 CO -0.00 0.38 -0.13 -0.97 -2.23 0.00 0.00 178.31 175.36 2k0s h ASN 61 N -0.83 -0.33 -0.17 0.41 -0.73 -0.74 -1.66 115.58 111.53 2k0s h ASN 61 Ca -0.01 0.03 0.04 0.00 1.87 0.00 0.00 56.30 58.22 2k0s h ASN 61 Cb 0.57 0.11 -0.04 0.00 0.27 0.00 0.00 38.32 39.23 2k0s h ASN 61 CO 0.02 -0.20 -0.07 -0.33 -0.37 0.00 0.00 177.43 176.49 2k0s h GLU 62 N -0.29 -0.05 -0.07 6.67 5.08 -0.62 0.23 114.58 125.53 2k0s h GLU 62 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k0s h GLU 62 Cb 0.27 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2k0s h GLU 62 CO -0.03 -0.03 -0.36 1.88 -1.00 0.00 0.00 179.01 179.47 2k0s h TYR 63 N -0.05 -1.01 -0.63 4.33 -1.99 -1.21 0.49 116.97 116.90 2k0s h TYR 63 Ca 0.09 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.84 2k0s h TYR 63 Cb 0.19 0.45 -0.03 0.00 2.00 0.00 0.00 36.73 39.34 2k0s h TYR 63 CO -0.22 -0.44 0.32 0.82 -0.00 0.00 0.00 178.16 178.64 2k0s h ILE 64 N -0.47 1.20 -0.36 -2.88 1.08 -1.05 -2.12 117.51 112.91 2k0s h ILE 64 Ca 0.07 -0.53 -0.10 0.00 -0.39 0.00 0.00 64.86 63.91 2k0s h ILE 64 Cb 0.59 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 2k0s h ILE 64 CO -0.33 0.23 -0.19 1.05 -0.69 0.00 0.00 178.15 178.22 2k0s h GLU 65 N 0.89 0.67 0.38 2.37 4.11 0.55 -0.16 114.58 123.39 2k0s h GLU 65 Ca 0.22 -0.24 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2k0s h GLU 65 Cb 0.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2k0s h GLU 65 CO -0.03 0.81 -0.18 0.82 0.07 0.00 0.00 179.01 180.50 2k0s h ILE 66 N 0.60 0.58 -0.10 -1.06 2.04 0.54 0.03 117.51 120.14 2k0s h ILE 66 Ca 0.09 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 2k0s h ILE 66 Cb 0.65 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2k0s h ILE 66 CO 0.05 0.08 0.05 0.25 0.00 0.00 0.00 178.15 178.58 2k0s h LEU 67 N -0.80 0.13 -1.32 1.44 6.46 -1.41 -1.90 115.31 117.89 2k0s h LEU 67 Ca -0.05 -0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 2k0s h LEU 67 Cb 0.53 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.39 2k0s h LEU 67 CO 0.09 0.19 0.48 -0.08 -0.62 0.00 0.00 178.44 178.49 2k0s h GLU 68 N 0.06 0.85 0.70 1.25 4.81 -1.07 0.58 114.58 121.76 2k0s h GLU 68 Ca 0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2k0s h GLU 68 Cb 0.09 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2k0s h GLU 68 CO -0.01 0.56 -0.34 0.87 -0.73 0.00 0.00 179.01 179.37 2k0s h LYS 69 N 0.88 -0.91 0.21 1.92 1.57 -0.63 0.03 116.57 119.65 2k0s h LYS 69 Ca 0.29 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2k0s h LYS 69 Cb 0.06 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2k0s h LYS 69 CO -0.08 -0.60 -0.10 1.25 -0.57 0.00 0.00 179.45 179.34 2k0s h HIS 70 N -1.10 -0.26 0.07 -1.35 2.76 -1.23 -1.78 115.15 112.27 2k0s h HIS 70 Ca -0.10 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2k0s h HIS 70 Cb 0.72 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2k0s h HIS 70 CO 0.03 -0.04 -0.16 1.25 -1.30 0.00 0.00 177.93 177.71 2k0s h LEU 71 N -0.45 -0.47 -0.87 0.26 5.85 0.08 -1.42 115.31 118.28 2k0s h LEU 71 Ca -0.03 0.05 0.23 0.00 0.84 0.00 0.00 57.88 58.97 2k0s h LEU 71 Cb 0.34 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 41.40 2k0s h LEU 71 CO 0.05 -0.18 0.20 -0.08 -0.34 0.00 0.00 178.44 178.08 2k0s h GLU 72 N -0.26 0.18 -0.52 1.25 4.81 -1.06 0.35 114.58 119.34 2k0s h GLU 72 Ca -0.01 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2k0s h GLU 72 Cb 0.24 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.52 2k0s h GLU 72 CO -0.07 0.12 0.13 0.37 -0.73 0.00 0.00 179.01 178.83 2k0s h GLN 73 N 0.18 0.26 -0.16 1.92 4.15 -0.80 -1.27 115.11 119.40 2k0s h GLN 73 Ca 0.54 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.80 2k0s h GLN 73 Cb 1.08 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.72 2k0s h GLN 73 CO -0.67 0.17 -0.48 1.96 -1.93 0.00 0.00 178.83 177.89 2k0s h GLN 74 N 0.27 0.60 -0.59 1.69 4.20 0.50 -0.38 115.11 121.40 2k0s h GLN 74 Ca 0.26 -0.44 0.12 0.00 0.06 0.00 0.00 58.65 58.65 2k0s h GLN 74 Cb 0.34 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.09 2k0s h GLN 74 CO -0.32 1.06 0.00 -0.07 -0.67 0.00 0.00 178.83 178.83 2k0s h LEU 75 N 0.25 -0.26 0.01 1.46 -0.00 0.05 0.24 115.31 117.06 2k0s h LEU 75 Ca -0.02 0.15 -0.21 0.00 -0.00 0.00 0.00 57.88 57.80 2k0s h LEU 75 Cb 1.10 0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 41.99 2k0s h LEU 75 CO 0.10 -0.10 -1.02 1.62 -0.00 0.00 0.00 178.44 179.04 2k0s h VAL 76 N 0.12 1.70 0.00 1.22 3.04 -1.29 0.33 116.25 121.37 2k0s h VAL 76 Ca 0.31 -3.40 0.00 0.00 -1.01 0.00 0.00 66.70 62.59 2k0s h VAL 76 Cb 0.49 2.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.62 2k0s h VAL 76 CO -0.50 0.97 0.00 1.21 -1.01 0.00 0.00 177.57 178.24 2k0s n GLU 77 N -3.36 0.02 0.00 4.17 2.13 -0.15 -4.39 120.64 119.06 2k0s n GLU 77 Ca -0.01 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2k0s n GLU 77 Cb 0.95 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 31.12 2k0s n GLU 77 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2k0s n ARG 78 N -1.58 0.00 -2.58 5.31 5.12 0.70 -5.02 116.66 118.62 2k0s n ARG 78 Ca 0.04 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.95 2k0s n ARG 78 Cb 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 2k0s n ARG 78 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2k0s n ILE 79 N -2.43 -7.57 0.24 0.55 5.41 0.11 -4.93 119.36 110.75 2k0s n ILE 79 Ca 0.00 -0.07 0.11 0.00 1.00 0.00 0.00 62.75 63.80 2k0s n ILE 79 Cb 0.00 -5.97 0.55 0.00 -0.71 0.00 0.00 39.64 33.51 2k0s n ILE 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2k0s h PRO 80 N 0.46 0.00 0.00 0.38 0.13 -1.95 -3.48 132.00 127.55 2k0s h PRO 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k0s h PRO 80 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2k0s h PRO 80 CO 0.20 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.57 2k0s n GLY 81 N -0.06 2.07 3.76 1.56 0.00 -1.26 -4.30 105.19 106.95 2k0s n GLY 81 Ca -0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 2k0s n GLY 81 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k0s s PHE 82 N 0.00 2.75 -1.04 1.61 2.19 -1.26 -3.26 117.98 118.96 2k0s s PHE 82 Ca 0.00 0.88 -0.20 0.00 0.33 0.00 0.00 56.93 57.95 2k0s s PHE 82 Cb 0.00 -4.03 -0.08 0.00 -1.31 0.00 0.00 43.02 37.60 2k0s s PHE 82 CO 0.00 -3.37 1.99 0.09 1.83 0.00 0.00 175.22 175.76 2k0s n ASN 83 N 1.85 3.13 0.06 6.13 3.02 -1.26 -4.62 115.26 123.57 2k0s n ASN 83 Ca 0.07 -2.74 0.12 0.00 -0.03 0.00 0.00 54.58 51.99 2k0s n ASN 83 Cb 0.38 -1.39 0.46 0.00 -0.61 0.00 0.00 39.78 38.62 2k0s n ASN 83 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2k0s n MET 84 N 7.08 0.12 -3.29 3.52 2.81 -1.26 -4.50 117.12 121.59 2k0s n MET 84 Ca 0.49 0.23 -0.01 0.00 -1.81 0.00 0.00 57.70 56.60 2k0s n MET 84 Cb 0.41 -1.68 0.01 0.00 -0.71 0.00 0.00 33.22 31.26 2k0s n MET 84 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2k0s n ASP 85 N -1.90 -1.23 0.00 7.83 5.75 -1.26 -4.90 116.55 120.85 2k0s n ASP 85 Ca 0.04 -1.59 0.14 0.00 -0.01 0.00 0.00 54.79 53.37 2k0s n ASP 85 Cb 0.29 1.98 0.67 0.00 -1.03 0.00 0.00 41.12 43.04 2k0s n ASP 85 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k0s n ALA 86 N -1.36 2.38 -0.43 2.12 0.00 -1.26 -3.81 120.51 118.14 2k0s n ALA 86 Ca -0.10 -0.12 0.41 0.00 0.00 0.00 0.00 53.44 53.63 2k0s n ALA 86 Cb 0.44 -1.47 0.76 0.00 0.00 0.00 0.00 19.45 19.18 2k0s n ALA 86 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2k0s h PHE 87 N 0.00 0.00 0.00 0.00 -0.00 -1.95 0.80 116.94 115.80 2k0s h PHE 87 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.97 57.71 2k0s h PHE 87 Cb 0.39 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.36 2k0s h PHE 87 CO 0.00 0.00 -1.04 1.15 -0.00 0.00 0.00 178.31 178.42 2k0s h THR 88 N 0.00 1.29 -0.36 0.88 2.02 -1.98 -3.09 112.91 111.67 2k0s h THR 88 Ca 0.68 -2.26 0.07 0.00 0.77 0.00 0.00 66.41 65.66 2k0s h THR 88 Cb 2.79 2.38 -0.09 0.00 -1.74 0.00 0.00 68.15 71.49 2k0s h THR 88 CO -0.01 0.70 -0.41 -0.74 0.37 0.00 0.00 175.52 175.43 2k0s h HIS 89 N 0.38 -1.19 -0.56 3.16 -0.00 0.37 0.32 115.15 117.63 2k0s h HIS 89 Ca -0.13 0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.28 2k0s h HIS 89 Cb 1.69 0.57 -0.03 0.00 -0.00 0.00 0.00 27.41 29.65 2k0s h HIS 89 CO 0.10 -0.44 0.26 1.03 -0.00 0.00 0.00 177.93 178.88 2k0s h SER 90 N -0.34 0.72 0.84 3.26 0.87 -1.65 -1.25 113.55 116.00 2k0s h SER 90 Ca 0.13 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2k0s h SER 90 Cb 0.58 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2k0s h SER 90 CO -0.54 0.63 -0.04 0.25 -0.53 0.00 0.00 176.83 176.59 2k0s h LEU 91 N 0.80 0.00 -0.78 2.23 5.85 -0.89 -2.96 115.31 119.55 2k0s h LEU 91 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2k0s h LEU 91 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2k0s h LEU 91 CO -0.02 0.04 0.41 0.50 -0.34 0.00 0.00 178.44 179.02 2k0s h LYS 92 N 0.00 0.00 -0.98 1.25 3.11 0.80 -1.73 116.57 119.02 2k0s h LYS 92 Ca -0.00 0.00 0.28 0.00 -2.81 0.00 0.00 60.65 58.12 2k0s h LYS 92 Cb 0.47 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.66 2k0s h LYS 92 CO 0.01 0.00 0.96 1.96 -2.81 0.00 0.00 179.45 179.57 2k0s h GLN 93 N 0.00 0.00 0.00 1.90 1.08 -1.71 -2.52 115.11 113.86 2k0s h GLN 93 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k0s h GLN 93 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2k0s h GLN 93 CO 0.00 0.00 0.00 1.58 -0.95 0.00 0.00 178.83 179.46 2k0s n HIS 94 N -3.59 0.00 1.12 2.96 -0.00 -0.69 -4.82 115.22 110.20 2k0s n HIS 94 Ca 0.21 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.49 2k0s n HIS 94 Cb 1.28 0.00 0.55 0.00 -0.12 0.00 0.00 29.99 31.69 2k0s n HIS 94 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2k0s n LYS 95 N -0.49 0.51 -0.35 1.57 3.00 -0.96 -3.48 118.16 117.97 2k0s n LYS 95 Ca 0.00 0.03 0.13 0.00 -0.00 0.00 0.00 58.31 58.47 2k0s n LYS 95 Cb 0.00 -1.50 0.31 0.00 0.00 0.00 0.00 35.03 33.84 2k0s n LYS 95 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2k0s h ASP 96 N 0.00 0.78 0.28 3.14 2.03 -1.68 0.36 116.42 121.33 2k0s h ASP 96 Ca 0.00 0.10 -0.05 0.00 -0.73 0.00 0.00 57.03 56.35 2k0s h ASP 96 Cb 0.05 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 2k0s h ASP 96 CO 0.00 0.28 -0.22 -0.08 -1.03 0.00 0.00 179.24 178.19 2k0s h GLU 97 N 0.76 0.00 -3.55 4.15 4.57 -1.86 -3.38 114.58 115.27 2k0s h GLU 97 Ca 0.57 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 58.21 2k0s h GLU 97 Cb 0.88 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.07 2k0s h GLU 97 CO -0.38 0.22 -0.76 0.54 -1.18 0.00 0.00 179.01 177.44 2k0s s VAL 98 N -4.41 0.68 0.29 0.32 0.11 0.13 -5.09 120.40 112.42 2k0s s VAL 98 Ca -0.03 -0.93 0.03 0.00 -2.93 0.00 0.00 61.98 58.12 2k0s s VAL 98 Cb 0.15 -1.31 0.03 0.00 -1.53 0.00 0.00 36.38 33.72 2k0s s VAL 98 CO 0.68 -0.41 0.26 -0.24 -3.33 0.00 0.00 175.10 172.06 2k0s n SER 99 N 4.97 1.73 -0.06 3.54 2.88 -1.21 -4.75 113.62 120.72 2k0s n SER 99 Ca -0.06 -1.96 0.25 0.00 -1.33 0.00 0.00 58.87 55.77 2k0s n SER 99 Cb 0.45 -0.07 0.62 0.00 -0.75 0.00 0.00 64.21 64.45 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 0.28 0.00 -0.26 0.46 0.00 -1.92 -2.52 103.07 99.10 2k0s h GLY 100 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.18 2k0s h GLY 100 CO 0.27 0.00 -0.15 1.22 0.00 0.00 0.00 176.54 177.87 2k0s n ASP 101 N -3.51 -0.28 0.08 0.19 8.00 -1.26 0.17 116.55 119.94 2k0s n ASP 101 Ca 0.15 1.19 -0.23 0.00 0.71 0.00 0.00 54.79 56.61 2k0s n ASP 101 Cb 1.05 -0.42 -0.15 0.00 -0.02 0.00 0.00 41.12 41.58 2k0s n ASP 101 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2k0s h ILE 102 N 0.00 0.97 0.90 0.53 6.09 -1.87 -3.03 117.51 121.10 2k0s h ILE 102 Ca 0.04 -2.54 -0.04 0.00 -1.37 0.00 0.00 64.86 60.95 2k0s h ILE 102 Cb 0.11 2.79 0.00 0.00 0.47 0.00 0.00 36.82 40.19 2k0s h ILE 102 CO -0.24 0.85 -0.48 -0.07 -3.07 0.00 0.00 178.15 175.14 2k0s h LEU 103 N 0.11 -1.16 -1.50 2.19 3.38 -1.28 -2.50 115.31 114.56 2k0s h LEU 103 Ca -0.33 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2k0s h LEU 103 Cb 2.11 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 43.14 2k0s h LEU 103 CO 0.19 -0.78 0.35 -2.24 0.09 0.00 0.00 178.44 176.05 2k0s h ASP 104 N -1.26 0.58 -0.59 -0.43 3.04 0.16 0.47 116.42 118.39 2k0s h ASP 104 Ca -0.12 -0.01 0.09 0.00 -3.24 0.00 0.00 57.03 53.75 2k0s h ASP 104 Cb 0.99 -0.14 -0.07 0.00 -1.04 0.00 0.00 39.33 39.06 2k0s h ASP 104 CO 0.17 0.42 0.20 -0.03 -2.04 0.00 0.00 179.24 177.96 2k0s h MET 105 N 0.69 0.36 0.00 4.15 4.05 -1.32 0.91 114.93 123.76 2k0s h MET 105 Ca 0.20 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.44 2k0s h MET 105 Cb -0.04 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 2k0s h MET 105 CO -0.05 0.24 -0.91 -0.07 0.23 0.00 0.00 176.91 176.35 2k0s h LEU 106 N 0.37 0.00 0.00 3.39 3.38 -0.99 -3.33 115.31 118.13 2k0s h LEU 106 Ca 0.30 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2k0s h LEU 106 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k0s h LEU 106 CO -0.31 1.29 0.00 0.18 0.09 0.00 0.00 178.44 179.69 2k0s n LEU 107 N -4.50 0.00 0.26 1.67 7.99 0.16 -3.05 117.00 119.53 2k0s n LEU 107 Ca -0.24 0.35 0.07 0.00 -0.01 0.00 0.00 56.01 56.18 2k0s n LEU 107 Cb 0.58 -0.35 0.35 0.00 -0.11 0.00 0.00 43.42 43.89 2k0s n LEU 107 CO 0.20 -0.28 0.94 0.00 -1.51 0.00 0.00 177.39 176.74 2k0s h THR 108 N 0.00 0.00 -0.48 -5.08 1.03 0.74 0.84 112.91 109.95 2k0s h THR 108 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 66.41 66.54 2k0s h THR 108 Cb 0.07 0.29 -0.02 0.00 -1.07 0.00 0.00 68.15 67.42 2k0s h THR 108 CO 0.00 0.00 0.44 0.15 -0.01 0.00 0.00 175.52 176.10 2k0s h PHE 109 N 0.00 0.00 0.00 0.00 3.57 -1.80 -3.37 116.94 115.33 2k0s h PHE 109 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k0s h PHE 109 Cb 1.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2k0s h PHE 109 CO 0.00 0.00 0.00 -2.37 -2.23 0.00 0.00 178.31 173.71 2k0s n THR 110 N -3.92 0.00 -0.59 4.41 5.66 0.29 -5.17 114.28 114.96 2k0s n THR 110 Ca 0.09 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.80 2k0s n THR 110 Cb 0.64 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.61 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 0.00 -2.66 0.00 1.09 5.68 -1.22 -4.78 116.55 114.65 2k0s n ASP 111 Ca 0.00 -0.26 0.08 0.00 -0.50 0.00 0.00 54.79 54.11 2k0s n ASP 111 Cb 0.00 -0.92 0.48 0.00 -1.14 0.00 0.00 41.12 39.53 2k0s n ASP 111 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2k0s n PHE 112 N -4.59 0.00 -0.61 2.11 -0.00 -1.26 -3.81 117.46 109.30 2k0s n PHE 112 Ca 0.03 0.00 0.47 0.00 -0.00 0.00 0.00 57.45 57.95 2k0s n PHE 112 Cb 0.55 0.00 0.73 0.00 -0.00 0.00 0.00 39.48 40.76 2k0s n PHE 112 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 2k0s n MET 113 N -0.96 0.00 0.00 -4.13 0.00 -1.26 0.61 117.12 111.37 2k0s n MET 113 Ca 0.12 1.02 0.00 0.00 -0.00 0.00 0.00 57.70 58.84 2k0s n MET 113 Cb 0.06 -2.39 0.00 0.00 0.00 0.00 0.00 33.22 30.89 2k0s n MET 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0s n ALA 114 N -2.78 -0.36 0.19 -5.12 0.00 -1.25 0.41 120.51 111.59 2k0s n ALA 114 Ca 0.40 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.87 2k0s n ALA 114 Cb 1.86 0.00 0.37 0.00 0.00 0.00 0.00 19.45 21.68 2k0s n ALA 114 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2k0s h PHE 115 N 0.00 0.00 -0.05 0.00 3.04 -1.46 -2.80 116.94 115.67 2k0s h PHE 115 Ca 0.00 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.79 2k0s h PHE 115 Cb 0.00 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 2k0s h PHE 115 CO 0.17 0.38 -0.67 0.87 -2.02 0.00 0.00 178.31 177.03 2k0s h LYS 116 N 0.00 0.24 -0.50 1.11 6.56 0.11 -2.28 116.57 121.81 2k0s h LYS 116 Ca -0.00 -0.19 0.09 0.00 -1.06 0.00 0.00 60.65 59.49 2k0s h LYS 116 Cb 0.73 0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 32.32 2k0s h LYS 116 CO 0.05 0.82 -0.30 1.49 -2.06 0.00 0.00 179.45 179.45 2k0s h GLU 117 N 0.17 -0.18 0.01 3.15 4.57 0.24 1.81 114.58 124.35 2k0s h GLU 117 Ca -0.02 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k0s h GLU 117 Cb 1.21 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2k0s h GLU 117 CO 0.10 -0.12 -0.01 0.52 -1.18 0.00 0.00 179.01 178.33 2k0s h MET 118 N -0.19 -0.02 0.46 1.92 2.86 -1.68 -2.87 114.93 115.42 2k0s h MET 118 Ca 0.21 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2k0s h MET 118 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2k0s h MET 118 CO -0.60 0.77 -0.42 0.35 1.06 0.00 0.00 176.91 178.07 2k0s h PHE 119 N -0.94 -1.13 -0.53 -0.22 3.57 -1.21 -2.76 116.94 113.71 2k0s h PHE 119 Ca -0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 2k0s h PHE 119 Cb 0.79 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.89 2k0s h PHE 119 CO 0.21 -0.58 0.09 1.15 -2.23 0.00 0.00 178.31 176.95 2k0s h THR 120 N -0.88 0.67 -0.98 4.41 2.02 0.26 -0.51 112.91 117.90 2k0s h THR 120 Ca -0.05 -0.08 0.29 0.00 0.77 0.00 0.00 66.41 67.35 2k0s h THR 120 Cb 0.77 0.43 -0.14 0.00 -1.74 0.00 0.00 68.15 67.47 2k0s h THR 120 CO -0.04 0.04 0.51 -0.78 0.37 0.00 0.00 175.52 175.62 2k0s h ASP 121 N 0.22 0.45 0.14 4.18 3.58 -1.25 0.89 116.42 124.62 2k0s h ASP 121 Ca 0.27 0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 2k0s h ASP 121 Cb 0.39 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2k0s h ASP 121 CO -0.37 -0.09 -0.06 1.88 -2.88 0.00 0.00 179.24 177.72 2k0s h TYR 122 N 0.36 -0.17 0.29 0.28 0.05 -0.91 -2.58 116.97 114.29 2k0s h TYR 122 Ca 0.68 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.46 2k0s h TYR 122 Cb 1.47 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 39.23 2k0s h TYR 122 CO -0.06 0.11 -0.43 0.00 -1.05 0.00 0.00 178.16 176.73 2k0s h ARG 123 N -1.00 -0.75 0.18 4.88 3.08 -0.47 0.26 114.38 120.56 2k0s h ARG 123 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2k0s h ARG 123 Cb 0.35 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2k0s h ARG 123 CO 0.03 -0.50 -0.34 0.00 -1.07 0.00 0.00 179.97 178.09 2k0s h ALA 124 N -0.40 -0.92 -0.30 0.04 0.00 0.62 0.22 119.26 118.52 2k0s h ALA 124 Ca -0.01 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2k0s h ALA 124 Cb 0.73 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2k0s h ALA 124 CO -0.14 -0.98 0.40 1.49 0.00 0.00 0.00 179.25 180.01 2k0s h GLU 125 N -0.57 0.00 0.01 0.00 4.22 -1.41 0.41 114.58 117.24 2k0s h GLU 125 Ca -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 2k0s h GLU 125 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k0s h GLU 125 CO -0.13 0.00 -0.00 -0.22 -2.18 0.00 0.00 179.01 176.48 2k0s h LYS 126 N 0.00 -0.01 0.00 1.92 3.64 0.11 -3.23 116.57 119.00 2k0s h LYS 126 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2k0s h LYS 126 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2k0s h LYS 126 CO -0.00 0.78 0.00 0.39 -2.27 0.00 0.00 179.45 178.35 2k0s n GLU 127 N -4.70 0.15 -0.56 1.90 -0.58 0.63 -4.86 120.64 112.62 2k0s n GLU 127 Ca -0.09 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 2k0s n GLU 127 Cb 0.39 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 -0.11 1.00 0.44 0.62 0.00 -0.13 -4.94 105.19 102.07 2k0s n GLY 128 Ca 0.02 -0.15 0.24 0.00 0.00 0.00 0.00 46.02 46.13 2k0s n GLY 128 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k0s h ARG 129 N 0.00 0.00 0.00 1.61 -0.00 -1.24 -3.49 114.38 111.26 2k0s h ARG 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2k0s h ARG 129 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.19 2k0s h ARG 129 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.38