#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2osn h LEU 4 N 0.00 0.09 -1.07 1.20 5.85 -1.65 -2.47 115.31 117.26 2osn h LEU 4 Ca 0.00 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 2osn h LEU 4 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2osn h LEU 4 CO 0.00 0.52 -0.46 -0.61 -0.34 0.00 0.00 178.44 177.55 2osn h GLN 5 N 0.07 0.02 -0.11 1.25 -0.00 -1.97 -1.53 115.11 112.84 2osn h GLN 5 Ca 0.00 -0.01 -0.19 0.00 -0.00 0.00 0.00 58.65 58.45 2osn h GLN 5 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.28 2osn h GLN 5 CO 0.06 0.47 -0.73 1.96 0.00 0.00 0.00 178.83 180.59 2osn h GLN 6 N 0.02 0.55 -0.32 1.69 4.20 -1.87 -2.36 115.11 117.02 2osn h GLN 6 Ca -0.00 -0.44 -0.04 0.00 0.06 0.00 0.00 58.65 58.23 2osn h GLN 6 Cb 0.81 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2osn h GLN 6 CO 0.06 1.07 0.04 0.35 -0.67 0.00 0.00 178.83 179.68 2osn h PHE 7 N 0.38 0.57 -0.77 2.96 3.57 -1.29 -0.85 116.94 121.50 2osn h PHE 7 Ca -0.03 -0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.52 2osn h PHE 7 Cb 1.32 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.81 2osn h PHE 7 CO 0.06 0.62 0.34 0.87 -2.23 0.00 0.00 178.31 177.97 2osn h LYS 8 N 0.35 0.49 -0.08 1.11 1.57 -1.27 -1.98 116.57 116.77 2osn h LYS 8 Ca 0.10 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.63 2osn h LYS 8 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2osn h LYS 8 CO 0.01 0.32 -0.82 -0.91 -0.57 0.00 0.00 179.45 177.48 2osn h ASN 9 N 0.50 0.67 -0.45 0.86 4.21 -1.23 -3.22 115.58 116.93 2osn h ASN 9 Ca 0.42 -0.47 0.04 0.00 1.21 0.00 0.00 56.30 57.50 2osn h ASN 9 Cb 0.61 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.57 2osn h ASN 9 CO -0.38 1.25 0.23 0.24 -1.29 0.00 0.00 177.43 177.47 2osn h MET 10 N 0.36 0.44 -0.48 0.81 2.86 -0.87 -0.93 114.93 117.12 2osn h MET 10 Ca -0.06 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.65 2osn h MET 10 Cb 1.43 -0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.90 2osn h MET 10 CO 0.15 0.29 -0.14 0.82 1.06 0.00 0.00 176.91 179.09 2osn h ILE 11 N 0.45 0.49 0.00 -1.22 2.04 -1.37 0.60 117.51 118.49 2osn h ILE 11 Ca 0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.06 2osn h ILE 11 Cb 0.11 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2osn h ILE 11 CO -0.14 0.00 -0.05 0.06 0.00 0.00 0.00 178.15 178.02 2osn h GLN 12 N -0.02 0.00 0.47 2.37 3.07 -1.55 -0.86 115.11 118.59 2osn h GLN 12 Ca 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.95 2osn h GLN 12 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 2osn h GLN 12 CO -0.51 0.00 -0.23 0.00 0.09 0.00 0.00 178.83 178.18 2osn h ALA 14 N -0.52 0.82 -1.71 0.00 0.00 -0.89 -3.37 119.26 113.60 2osn h ALA 14 Ca -0.06 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 2osn h ALA 14 Cb 0.58 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.24 2osn h ALA 14 CO 0.11 0.00 -0.52 0.20 0.00 0.00 0.00 179.25 179.04 2osn s GLY 15 N -4.13 2.56 -0.04 0.00 0.00 -0.33 -4.77 107.32 100.61 2osn s GLY 15 Ca 0.05 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.35 2osn s GLY 15 CO 0.70 -1.81 0.70 -0.84 0.00 0.00 0.00 173.10 171.85 2osn h THR 16 N 1.83 0.97 -3.59 0.90 2.02 -1.85 -3.41 112.91 109.77 2osn h THR 16 Ca -0.35 -2.55 -0.51 0.00 0.77 0.00 0.00 66.41 63.77 2osn h THR 16 Cb 1.27 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.44 2osn h THR 16 CO 0.57 0.85 0.41 -0.13 0.37 0.00 0.00 175.52 177.59 2osn s ARG 17 N -2.58 4.67 0.84 6.66 0.52 -1.26 -4.99 118.95 122.82 2osn s ARG 17 Ca -0.15 1.57 -0.10 0.00 -0.52 0.00 0.00 55.73 56.53 2osn s ARG 17 Cb 0.05 -3.32 0.15 0.00 0.52 0.00 0.00 34.95 32.35 2osn s ARG 17 CO 0.86 0.20 1.17 0.95 0.02 0.00 0.00 175.30 178.49 2osn s THR 18 N -0.27 2.08 0.53 0.02 -4.23 -1.26 -4.25 115.64 108.26 2osn s THR 18 Ca 0.47 -0.20 0.23 0.00 -1.18 0.00 0.00 61.69 61.00 2osn s THR 18 Cb -0.26 -2.88 0.29 0.00 1.34 0.00 0.00 72.50 70.99 2osn s THR 18 CO 0.32 0.00 2.16 4.11 -0.54 0.00 0.00 174.62 180.68 2osn h TRP 19 N -1.12 0.00 0.00 3.99 5.08 -1.93 -2.55 115.95 119.42 2osn h TRP 19 Ca -0.42 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.51 2osn h TRP 19 Cb 1.26 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.42 2osn h TRP 19 CO -0.53 0.04 -0.17 1.79 -1.28 0.00 0.00 178.44 178.29 2osn h THR 20 N 0.00 0.44 -0.11 0.12 1.35 -1.97 -2.46 112.91 110.27 2osn h THR 20 Ca -0.00 -0.95 0.03 0.00 -0.55 0.00 0.00 66.41 64.94 2osn h THR 20 Cb 0.08 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2osn h THR 20 CO 0.01 0.17 0.10 0.00 -0.25 0.00 0.00 175.52 175.55 2osn h ALA 21 N 1.83 1.86 0.00 6.62 0.00 -1.83 -3.16 119.26 124.58 2osn h ALA 21 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2osn h ALA 21 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2osn h ALA 21 CO 0.02 -0.16 -1.22 0.66 0.00 0.00 0.00 179.25 178.55 2osn n TYR 22 N -4.10 0.00 -0.31 0.00 4.02 -0.93 -4.46 117.16 111.37 2osn n TYR 22 Ca -0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.05 2osn n TYR 22 Cb 0.21 -0.17 0.34 0.00 -0.02 0.00 0.00 39.34 39.71 2osn n TYR 22 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2osn h ILE 23 N 0.00 0.25 -0.21 -0.72 2.04 -1.56 -2.94 117.51 114.37 2osn h ILE 23 Ca 0.00 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 2osn h ILE 23 Cb 0.57 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 2osn h ILE 23 CO 0.00 0.03 -0.24 -0.46 0.00 0.00 0.00 178.15 177.49 2osn n ASN 24 N -5.24 2.21 -4.63 1.72 0.23 -1.26 -4.09 115.26 104.20 2osn n ASN 24 Ca 0.25 -3.80 -0.35 0.00 -0.53 0.00 0.00 54.58 50.14 2osn n ASN 24 Cb 0.79 -0.59 -0.10 0.00 -2.08 0.00 0.00 39.78 37.80 2osn n ASN 24 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 2osn s TYR 25 N -3.23 3.27 0.00 -2.53 6.14 -1.11 -1.75 117.35 118.14 2osn s TYR 25 Ca 0.42 0.09 0.00 0.00 0.64 0.00 0.00 57.07 58.22 2osn s TYR 25 Cb 0.39 -2.17 0.00 0.00 0.42 0.00 0.00 41.96 40.60 2osn s TYR 25 CO -0.03 0.07 0.00 0.41 0.64 0.00 0.00 175.55 176.65 2osn n GLY 26 N 3.97 1.64 0.08 8.97 0.00 0.11 -2.75 105.19 117.20 2osn n GLY 26 Ca -0.16 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.35 2osn n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2osn n TYR 28 N -2.69 0.00 -2.24 0.00 4.02 -1.26 -3.51 117.16 111.48 2osn n TYR 28 Ca -0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.34 2osn n TYR 28 Cb 0.82 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 40.10 2osn n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2osn n GLY 30 N 3.54 -1.83 3.69 0.00 0.00 -1.26 -4.08 105.19 105.25 2osn n GLY 30 Ca 0.12 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2osn n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2osn s LYS 31 N 0.00 4.32 2.15 1.61 2.47 -1.26 -4.86 119.74 124.16 2osn s LYS 31 Ca 0.00 1.84 0.00 0.00 -1.56 0.00 0.00 55.97 56.25 2osn s LYS 31 Cb 0.00 -3.55 0.00 0.00 -1.46 0.00 0.00 37.83 32.82 2osn s LYS 31 CO 0.00 -0.51 0.00 0.41 0.16 0.00 0.00 175.35 175.41 2osn n GLY 32 N 3.51 -1.27 0.00 5.54 0.00 -1.26 -5.02 105.19 106.69 2osn n GLY 32 Ca 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2osn n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2osn n GLY 33 N 0.00 3.91 3.20 -0.02 0.00 -1.26 -4.56 105.19 106.47 2osn n GLY 33 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 2osn n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2osn s SER 34 N 0.00 0.13 0.07 1.61 0.01 -1.23 -5.01 113.70 109.29 2osn s SER 34 Ca 0.00 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2osn s SER 34 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2osn s SER 34 CO 0.00 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.53 2osn n GLY 35 N -0.06 -1.19 3.78 3.44 0.00 -1.23 -4.68 105.19 105.25 2osn n GLY 35 Ca -0.15 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 2osn n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2osn s THR 36 N 0.00 5.13 0.16 2.61 2.01 -1.26 -5.01 115.64 119.29 2osn s THR 36 Ca 0.00 0.81 -0.33 0.00 0.31 0.00 0.00 61.69 62.48 2osn s THR 36 Cb 0.00 -3.72 -0.13 0.00 0.01 0.00 0.00 72.50 68.66 2osn s THR 36 CO 0.00 0.47 1.68 -2.65 -0.69 0.00 0.00 174.62 173.43 2osn n PRO 37 N 2.70 2.47 0.12 4.92 -0.02 -1.26 -4.80 135.00 139.14 2osn n PRO 37 Ca -0.12 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.24 2osn n PRO 37 Cb 0.52 -2.71 0.11 0.00 -0.02 0.00 0.00 33.50 31.40 2osn n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2osn h VAL 38 N 3.89 1.43 -2.87 -1.45 -1.51 -1.92 -3.45 116.25 110.37 2osn h VAL 38 Ca -0.44 -2.38 -0.11 0.00 -1.23 0.00 0.00 66.70 62.53 2osn h VAL 38 Cb 1.23 2.30 -0.03 0.00 -2.13 0.00 0.00 31.29 32.66 2osn h VAL 38 CO 0.92 0.67 -0.04 -0.90 -1.23 0.00 0.00 177.57 176.99 2osn n ASP 39 N -3.65 -0.69 -0.23 4.19 5.68 -1.26 -5.02 116.55 115.58 2osn n ASP 39 Ca -0.01 -1.86 -0.01 0.00 -0.50 0.00 0.00 54.79 52.42 2osn n ASP 39 Cb 0.69 1.25 0.11 0.00 -1.14 0.00 0.00 41.12 42.03 2osn n ASP 39 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2osn h LYS 40 N 0.00 0.61 -0.47 0.11 3.64 -1.92 -0.77 116.57 117.78 2osn h LYS 40 Ca -0.13 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 2osn h LYS 40 Cb 0.55 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2osn h LYS 40 CO 0.17 0.40 -0.06 1.25 -2.27 0.00 0.00 179.45 178.95 2osn h LEU 41 N 0.63 0.86 -1.29 5.20 5.85 -1.90 -1.78 115.31 122.88 2osn h LEU 41 Ca 0.31 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2osn h LEU 41 Cb 0.26 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2osn h LEU 41 CO -0.22 1.00 0.05 -0.78 -0.34 0.00 0.00 178.44 178.15 2osn h ASP 42 N 0.71 0.50 -0.69 1.25 3.58 -1.82 -1.94 116.42 118.01 2osn h ASP 42 Ca 0.12 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 2osn h ASP 42 Cb 0.59 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2osn h ASP 42 CO 0.04 0.53 0.41 0.03 -2.88 0.00 0.00 179.24 177.37 2osn h ARG 43 N 0.52 0.94 -0.55 0.28 3.08 -0.77 -1.35 114.38 116.53 2osn h ARG 43 Ca 0.12 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 60.18 2osn h ARG 43 Cb 0.25 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 2osn h ARG 43 CO 0.00 0.67 0.15 0.00 -1.07 0.00 0.00 179.97 179.72 2osn h TYR 46 N 0.30 0.98 0.11 0.00 3.20 -0.64 0.15 116.97 121.07 2osn h TYR 46 Ca -0.00 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 2osn h TYR 46 Cb 1.10 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2osn h TYR 46 CO 0.03 0.83 -0.05 1.15 -1.64 0.00 0.00 178.16 178.48 2osn h THR 47 N 0.84 1.06 -0.55 1.81 2.02 -1.16 -2.68 112.91 114.26 2osn h THR 47 Ca 0.18 -0.73 0.04 0.00 0.77 0.00 0.00 66.41 66.68 2osn h THR 47 Cb 0.34 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 2osn h THR 47 CO 0.00 0.17 0.29 -0.74 0.37 0.00 0.00 175.52 175.62 2osn h HIS 48 N -0.49 0.54 -0.62 3.16 -0.00 -1.29 0.12 115.15 116.57 2osn h HIS 48 Ca -0.02 0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.51 2osn h HIS 48 Cb 0.40 -0.16 -0.10 0.00 -0.00 0.00 0.00 27.41 27.54 2osn h HIS 48 CO 0.04 0.27 0.02 0.22 -0.00 0.00 0.00 177.93 178.47 2osn h ASP 49 N 0.56 -0.25 0.47 3.26 3.58 -0.72 -0.99 116.42 122.33 2osn h ASP 49 Ca 0.24 0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.72 2osn h ASP 49 Cb 0.12 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2osn h ASP 49 CO -0.15 -0.11 -0.55 0.45 -2.88 0.00 0.00 179.24 176.01 2osn h HIS 50 N 0.13 0.11 -0.15 0.28 3.86 -0.94 -2.82 115.15 115.62 2osn h HIS 50 Ca 0.33 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 2osn h HIS 50 Cb 0.53 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2osn h HIS 50 CO -0.36 0.61 0.05 0.00 0.86 0.00 0.00 177.93 179.09 2osn h TYR 52 N 0.06 0.73 -0.44 0.00 -1.99 -1.20 -1.15 116.97 112.98 2osn h TYR 52 Ca 0.05 -0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.65 2osn h TYR 52 Cb 0.22 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 2osn h TYR 52 CO -0.00 0.50 -0.23 -0.97 -0.00 0.00 0.00 178.16 177.46 2osn h ASN 53 N 0.77 0.91 1.40 3.88 -1.24 -1.27 -3.00 115.58 117.02 2osn h ASN 53 Ca 0.20 -0.34 0.00 0.00 0.71 0.00 0.00 56.30 56.87 2osn h ASN 53 Cb -0.01 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.79 2osn h ASN 53 CO -0.04 1.10 0.00 1.56 -1.29 0.00 0.00 177.43 178.76 2osn h GLN 54 N 0.77 0.00 0.00 6.67 4.20 -0.47 -3.08 115.11 123.20 2osn h GLN 54 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2osn h GLN 54 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2osn h GLN 54 CO 0.06 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 2osn h ALA 55 N 2.03 1.00 0.00 3.87 0.00 -1.08 -2.76 119.26 122.32 2osn h ALA 55 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2osn h ALA 55 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2osn h ALA 55 CO 0.00 0.00 -0.05 -0.44 0.00 0.00 0.00 179.25 178.76 2osn h ASP 56 N 0.00 0.00 -0.01 0.00 5.19 -1.60 -2.85 116.42 117.15 2osn h ASP 56 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2osn h ASP 56 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 2osn h ASP 56 CO 0.00 0.05 0.00 -1.20 -3.12 0.00 0.00 179.24 174.97 2osn n SER 57 N -3.18 0.08 -4.54 6.45 7.64 -1.04 -4.72 113.62 114.31 2osn n SER 57 Ca 0.00 -1.43 -0.34 0.00 1.01 0.00 0.00 58.87 58.12 2osn n SER 57 Cb 0.33 -0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.41 2osn n SER 57 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2osn s ILE 58 N -1.99 4.08 0.23 0.44 1.01 -1.08 -5.08 121.20 118.82 2osn s ILE 58 Ca 0.28 -0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.33 2osn s ILE 58 Cb 0.13 -2.79 -0.13 0.00 0.01 0.00 0.00 42.46 39.68 2osn s ILE 58 CO 0.22 0.50 1.49 -2.65 0.00 0.00 0.00 174.94 174.49 2osn n PRO 59 N 3.42 2.21 -2.62 2.79 -0.02 -1.26 -2.68 135.00 136.83 2osn n PRO 59 Ca -0.17 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 61.94 2osn n PRO 59 Cb 0.52 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 2osn n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2osn n GLY 60 N 2.45 -0.23 2.97 -1.23 0.00 -1.26 -4.90 105.19 102.99 2osn n GLY 60 Ca 0.12 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 2osn n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2osn s ASN 62 N 1.29 3.29 0.32 0.00 3.84 -1.26 -4.32 114.94 118.10 2osn s ASN 62 Ca -0.05 -0.60 0.08 0.00 0.21 0.00 0.00 52.86 52.50 2osn s ASN 62 Cb -0.19 -1.51 0.79 0.00 -0.55 0.00 0.00 41.25 39.79 2osn s ASN 62 CO -0.07 0.02 1.79 1.55 -2.79 0.00 0.00 177.10 177.60 2osn h PRO 63 N 7.76 0.70 0.00 0.43 0.13 -1.90 -1.45 132.00 137.67 2osn h PRO 63 Ca -0.41 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 2osn h PRO 63 Cb 1.16 -0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 2osn h PRO 63 CO 0.61 0.46 -0.95 -0.91 -0.23 0.00 0.00 178.00 176.98 2osn h ASN 64 N 0.72 0.00 0.00 1.44 2.35 -1.96 -3.18 115.58 114.95 2osn h ASN 64 Ca 0.57 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.32 2osn h ASN 64 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2osn h ASN 64 CO -0.35 0.95 -1.33 2.30 -1.65 0.00 0.00 177.43 177.35 2osn n ILE 65 N -3.40 0.00 -1.85 2.81 -5.35 -1.14 -2.48 119.36 107.95 2osn n ILE 65 Ca -0.00 -0.21 -0.43 0.00 -0.27 0.00 0.00 62.75 61.84 2osn n ILE 65 Cb 0.90 0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 39.13 2osn n ILE 65 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2osn s LYS 66 N -2.56 3.27 -0.17 6.28 2.36 -0.56 -4.74 119.74 123.62 2osn s LYS 66 Ca -0.03 1.67 -0.29 0.00 -2.55 0.00 0.00 55.97 54.78 2osn s LYS 66 Cb 0.06 -4.26 -0.00 0.00 -1.05 0.00 0.00 37.83 32.57 2osn s LYS 66 CO 0.37 -1.93 0.99 0.99 1.55 0.00 0.00 175.35 177.32 2osn s THR 67 N 7.38 4.75 0.35 3.43 2.01 -1.26 0.11 115.64 132.42 2osn s THR 67 Ca 0.88 1.97 0.03 0.00 0.31 0.00 0.00 61.69 64.87 2osn s THR 67 Cb -0.27 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 67.99 2osn s THR 67 CO 0.34 -0.07 0.21 0.00 -0.69 0.00 0.00 174.62 174.41 2osn n TYR 68 N 5.61 -0.56 -4.25 4.92 4.11 -1.26 -4.93 117.16 120.79 2osn n TYR 68 Ca 0.09 -1.55 -0.34 0.00 -0.00 0.00 0.00 57.90 56.10 2osn n TYR 68 Cb 0.48 -0.28 -0.13 0.00 -0.00 0.00 0.00 39.34 39.41 2osn n TYR 68 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 2osn s SER 69 N -3.05 4.58 0.18 9.48 0.01 -1.26 -5.04 113.70 118.59 2osn s SER 69 Ca 0.16 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 57.09 2osn s SER 69 Cb -0.01 -1.76 -0.01 0.00 0.21 0.00 0.00 66.02 64.45 2osn s SER 69 CO 0.10 0.10 0.31 -0.72 0.41 0.00 0.00 173.24 173.44 2osn s TYR 70 N 0.80 0.41 0.05 2.43 -0.85 -1.26 -1.56 117.35 117.37 2osn s TYR 70 Ca -0.01 -0.77 0.04 0.00 -0.52 0.00 0.00 57.07 55.81 2osn s TYR 70 Cb -0.15 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.13 2osn s TYR 70 CO 0.02 -0.76 -0.13 -0.08 -1.52 0.00 0.00 175.55 173.09 2osn s THR 71 N -3.98 0.98 -0.24 -3.49 -1.32 -0.23 -4.95 115.64 102.41 2osn s THR 71 Ca 0.19 -1.12 0.01 0.00 -1.21 0.00 0.00 61.69 59.55 2osn s THR 71 Cb 0.03 -0.94 0.04 0.00 -1.51 0.00 0.00 72.50 70.12 2osn s THR 71 CO 0.02 -0.17 -0.12 0.00 -2.21 0.00 0.00 174.62 172.14 2osn n THR 73 N 4.56 3.18 -1.30 0.00 -1.04 0.37 -4.95 114.28 115.10 2osn n THR 73 Ca -0.17 -5.21 -0.51 0.00 -2.04 0.00 0.00 64.05 56.12 2osn n THR 73 Cb 0.46 -2.32 -0.07 0.00 -1.82 0.00 0.00 70.33 66.58 2osn n THR 73 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2osn n GLN 74 N 2.03 0.00 -0.69 -2.82 7.27 -1.26 -0.01 117.38 121.90 2osn n GLN 74 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.27 2osn n GLN 74 Cb 0.37 -1.18 0.22 0.00 2.41 0.00 0.00 30.24 32.05 2osn n GLN 74 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2osn n PRO 75 N 2.35 2.99 -3.63 3.69 -0.04 -1.26 -5.11 135.00 133.98 2osn n PRO 75 Ca 0.21 -2.09 -0.36 0.00 -0.04 0.00 0.00 63.50 61.22 2osn n PRO 75 Cb -0.00 -1.94 -0.08 0.00 -0.04 0.00 0.00 33.50 31.44 2osn n PRO 75 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2osn s ASN 76 N -0.53 6.31 -0.11 3.54 0.01 0.98 -4.02 114.94 121.12 2osn s ASN 76 Ca 0.37 0.35 -0.03 0.00 -0.71 0.00 0.00 52.86 52.85 2osn s ASN 76 Cb 0.30 -2.13 -0.03 0.00 0.41 0.00 0.00 41.25 39.79 2osn s ASN 76 CO 0.09 0.13 -0.00 -0.63 -1.51 0.00 0.00 177.10 175.18 2osn s ILE 77 N 0.49 4.24 -0.10 0.60 1.01 -1.26 -0.48 121.20 125.70 2osn s ILE 77 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 2osn s ILE 77 Cb -0.12 -2.80 0.03 0.00 0.01 0.00 0.00 42.46 39.57 2osn s ILE 77 CO 0.01 0.57 -0.03 -0.89 0.00 0.00 0.00 174.94 174.61 2osn s THR 78 N -0.53 0.64 -0.18 2.92 2.01 -0.63 -4.99 115.64 114.88 2osn s THR 78 Ca 0.09 -0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 2osn s THR 78 Cb -0.12 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 2osn s THR 78 CO 0.02 0.26 0.83 0.00 -0.69 0.00 0.00 174.62 175.04 2osn n THR 80 N 4.81 0.42 -2.81 0.00 -1.04 -0.60 -4.95 114.28 110.10 2osn n THR 80 Ca 0.04 -0.41 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 2osn n THR 80 Cb 0.49 -0.15 -0.04 0.00 -1.82 0.00 0.00 70.33 68.81 2osn n THR 80 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2osn s ARG 81 N -3.29 4.61 0.01 -2.82 1.81 -1.26 -4.93 118.95 113.08 2osn s ARG 81 Ca 0.01 1.31 0.00 0.00 -1.72 0.00 0.00 55.73 55.33 2osn s ARG 81 Cb 0.12 -3.39 0.00 0.00 -0.45 0.00 0.00 34.95 31.23 2osn s ARG 81 CO 0.78 0.18 0.00 2.41 -0.68 0.00 0.00 175.30 178.00 2osn n THR 82 N 3.02 0.11 0.08 0.02 -1.04 -1.26 -4.62 114.28 110.59 2osn n THR 82 Ca 0.01 0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 2osn n THR 82 Cb 0.50 -1.35 -0.00 0.00 -1.82 0.00 0.00 70.33 67.66 2osn n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2osn h ALA 83 N 0.00 0.52 -1.74 2.41 0.00 -2.04 -3.39 119.26 115.02 2osn h ALA 83 Ca 0.00 -0.70 -0.67 0.00 0.00 0.00 0.00 54.91 53.55 2osn h ALA 83 Cb 0.76 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.32 2osn h ALA 83 CO 0.00 0.87 0.95 0.34 0.00 0.00 0.00 179.25 181.41 2osn s ASP 84 N -6.96 6.57 0.28 0.00 -1.08 -1.26 -4.91 116.67 109.31 2osn s ASP 84 Ca -0.04 -1.85 -0.01 0.00 -0.52 0.00 0.00 52.55 50.13 2osn s ASP 84 Cb 0.10 -2.44 0.47 0.00 -1.46 0.00 0.00 42.92 39.60 2osn s ASP 84 CO 0.83 -1.18 1.89 0.00 0.52 0.00 0.00 175.17 177.23 2osn h ALA 85 N 9.08 1.46 -0.05 3.66 0.00 -1.95 0.16 119.26 131.61 2osn h ALA 85 Ca 0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2osn h ALA 85 Cb 1.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2osn h ALA 85 CO 1.18 0.39 0.02 0.00 0.00 0.00 0.00 179.25 180.84 2osn h ALA 87 N 0.85 0.40 -0.63 0.00 0.00 -1.83 -0.87 119.26 117.19 2osn h ALA 87 Ca 0.02 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2osn h ALA 87 Cb 0.17 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2osn h ALA 87 CO -0.00 -0.05 0.26 -0.22 0.00 0.00 0.00 179.25 179.25 2osn h LYS 88 N 0.38 0.45 -0.25 0.00 3.64 -0.66 0.75 116.57 120.89 2osn h LYS 88 Ca 0.11 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2osn h LYS 88 Cb 0.10 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2osn h LYS 88 CO -0.01 0.30 -0.21 0.35 -2.27 0.00 0.00 179.45 177.61 2osn h PHE 89 N 0.47 0.70 -0.17 1.91 3.57 -0.98 -2.80 116.94 119.64 2osn h PHE 89 Ca 0.31 -0.20 -0.18 0.00 3.53 0.00 0.00 57.97 61.43 2osn h PHE 89 Cb 0.36 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.95 2osn h PHE 89 CO -0.15 0.89 -0.60 1.25 -2.23 0.00 0.00 178.31 177.48 2osn h LEU 90 N 0.30 0.81 -1.75 0.59 5.85 -0.85 -1.33 115.31 118.94 2osn h LEU 90 Ca 0.04 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2osn h LEU 90 Cb 0.76 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2osn h LEU 90 CO 0.05 1.28 0.09 0.00 -0.34 0.00 0.00 178.44 179.52 2osn h ASP 92 N 0.25 0.46 -0.50 0.00 3.58 -1.18 0.91 116.42 119.95 2osn h ASP 92 Ca 0.07 -0.58 0.10 0.00 0.42 0.00 0.00 57.03 57.03 2osn h ASP 92 Cb 0.03 -0.13 -0.09 0.00 1.72 0.00 0.00 39.33 40.86 2osn h ASP 92 CO -0.01 0.96 -0.07 0.00 -2.88 0.00 0.00 179.24 177.24 2osn h ASP 94 N 0.05 0.18 -0.67 0.00 3.32 -1.34 -2.52 116.42 115.44 2osn h ASP 94 Ca 0.25 -0.49 0.05 0.00 0.02 0.00 0.00 57.03 56.86 2osn h ASP 94 Cb 0.38 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2osn h ASP 94 CO -0.48 0.63 0.39 -0.09 -1.72 0.00 0.00 179.24 177.97 2osn h ARG 95 N -0.27 0.72 -0.33 3.56 2.43 -0.73 -0.63 114.38 119.13 2osn h ARG 95 Ca 0.01 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2osn h ARG 95 Cb 0.58 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2osn h ARG 95 CO 0.02 0.48 0.18 1.15 -1.51 0.00 0.00 179.97 180.28 2osn h THR 96 N 0.74 1.01 -0.08 0.20 2.02 -1.01 -2.08 112.91 113.71 2osn h THR 96 Ca 0.28 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2osn h THR 96 Cb 0.11 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2osn h THR 96 CO -0.15 0.07 -0.04 0.00 0.37 0.00 0.00 175.52 175.77 2osn h ALA 97 N 1.16 0.11 -0.57 6.16 0.00 -1.21 0.10 119.26 125.01 2osn h ALA 97 Ca 0.14 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2osn h ALA 97 Cb 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 2osn h ALA 97 CO -0.08 -0.13 0.07 0.00 0.00 0.00 0.00 179.25 179.12 2osn h ALA 98 N 0.62 0.63 -0.20 0.00 0.00 -1.09 0.57 119.26 119.78 2osn h ALA 98 Ca 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2osn h ALA 98 Cb 0.49 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2osn h ALA 98 CO 0.01 -0.34 0.03 0.82 0.00 0.00 0.00 179.25 179.77 2osn h ILE 99 N 0.20 1.23 -0.87 0.00 2.04 -1.35 -2.44 117.51 116.31 2osn h ILE 99 Ca 0.30 -0.74 0.11 0.00 1.00 0.00 0.00 64.86 65.52 2osn h ILE 99 Cb 0.45 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 2osn h ILE 99 CO -0.42 0.23 0.50 0.00 0.00 0.00 0.00 178.15 178.46 2osn h PHE 101 N 0.82 1.16 -0.21 0.00 0.04 0.17 -2.62 116.94 116.30 2osn h PHE 101 Ca 0.43 -0.15 -0.16 0.00 2.80 0.00 0.00 57.97 60.89 2osn h PHE 101 Cb 0.43 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2osn h PHE 101 CO -0.05 0.97 -0.52 0.00 -0.60 0.00 0.00 178.31 178.11 2osn h ALA 102 N 1.09 0.70 0.00 2.45 0.00 -0.89 -3.21 119.26 119.39 2osn h ALA 102 Ca 0.21 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2osn h ALA 102 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2osn h ALA 102 CO 0.01 0.68 -0.50 0.77 0.00 0.00 0.00 179.25 180.21 2osn h SER 103 N 0.47 0.00 -3.41 0.00 0.02 -1.38 -3.47 113.55 105.78 2osn h SER 103 Ca 0.02 -0.05 -0.55 0.00 -0.84 0.00 0.00 61.79 60.37 2osn h SER 103 Cb 1.06 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 2osn h SER 103 CO 0.10 0.03 0.10 0.00 -1.14 0.00 0.00 176.83 175.92 2osn s ALA 104 N -3.24 3.47 0.37 3.77 0.00 -0.99 -5.05 121.76 120.09 2osn s ALA 104 Ca 0.05 0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.97 2osn s ALA 104 Cb 0.10 -2.87 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 2osn s ALA 104 CO 0.71 0.26 1.32 -1.25 0.00 0.00 0.00 175.76 176.80 2osn s PRO 105 N -0.81 4.14 -0.49 0.00 0.04 -1.26 -4.93 135.00 131.69 2osn s PRO 105 Ca 0.34 2.21 -0.15 0.00 0.04 0.00 0.00 61.00 63.44 2osn s PRO 105 Cb -0.21 -2.90 0.09 0.00 0.04 0.00 0.00 34.50 31.51 2osn s PRO 105 CO 0.23 -0.37 0.41 -0.47 0.04 0.00 0.00 177.00 176.84 2osn s TYR 106 N -1.20 3.25 -0.63 0.56 6.14 -1.26 -4.51 117.35 119.71 2osn s TYR 106 Ca 0.53 -1.06 -0.22 0.00 0.64 0.00 0.00 57.07 56.96 2osn s TYR 106 Cb -0.39 -3.32 0.07 0.00 0.42 0.00 0.00 41.96 38.74 2osn s TYR 106 CO 0.52 -0.86 0.90 -0.80 0.64 0.00 0.00 175.55 175.95 2osn s ASN 107 N 2.83 6.20 0.66 4.32 0.01 -1.26 -4.88 114.94 122.82 2osn s ASN 107 Ca 0.04 -0.98 0.42 0.00 -0.71 0.00 0.00 52.86 51.63 2osn s ASN 107 Cb -0.26 -2.40 2.29 0.00 0.41 0.00 0.00 41.25 41.30 2osn s ASN 107 CO 0.05 -1.33 2.30 0.16 -1.51 0.00 0.00 177.10 176.77 2osn h ILE 108 N 5.96 0.03 0.00 0.60 3.07 -1.97 0.45 117.51 125.65 2osn h ILE 108 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2osn h ILE 108 Cb 1.07 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2osn h ILE 108 CO 1.15 0.00 0.00 0.78 -1.05 0.00 0.00 178.15 179.03 2osn h ASN 109 N 0.00 0.00 -0.29 2.16 4.21 -2.02 -3.07 115.58 116.57 2osn h ASN 109 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2osn h ASN 109 Cb 0.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 2osn h ASN 109 CO -0.00 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.73 2osn n ASN 110 N -2.63 2.77 -4.75 5.81 3.02 0.16 -4.91 115.26 114.73 2osn n ASN 110 Ca 0.00 -1.90 -0.40 0.00 -0.03 0.00 0.00 54.58 52.26 2osn n ASN 110 Cb 0.20 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.12 2osn n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2osn s ILE 111 N -0.99 4.09 -0.73 2.41 1.01 -1.16 0.05 121.20 125.87 2osn s ILE 111 Ca 0.22 2.05 -0.01 0.00 0.00 0.00 0.00 60.65 62.90 2osn s ILE 111 Cb 0.12 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2osn s ILE 111 CO 0.16 0.46 0.68 0.23 0.00 0.00 0.00 174.94 176.47 2osn n MET 112 N 1.66 -1.40 0.00 2.79 2.81 -0.72 -4.90 117.12 117.36 2osn n MET 112 Ca -0.01 1.22 0.00 0.00 -1.81 0.00 0.00 57.70 57.10 2osn n MET 112 Cb 0.47 -5.31 0.00 0.00 -0.71 0.00 0.00 33.22 27.67 2osn n MET 112 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2osn n ILE 113 N -2.06 0.00 -0.13 2.02 -5.35 -1.26 -4.92 119.36 107.66 2osn n ILE 113 Ca -0.02 -0.07 0.27 0.00 -0.27 0.00 0.00 62.75 62.66 2osn n ILE 113 Cb 0.53 1.17 0.72 0.00 -1.74 0.00 0.00 39.64 40.32 2osn n ILE 113 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2osn h SER 114 N 0.00 0.00 -0.08 7.28 4.64 -1.92 0.46 113.55 123.93 2osn h SER 114 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2osn h SER 114 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2osn h SER 114 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2osn n ALA 115 N -2.66 2.50 -1.98 5.18 0.00 -1.26 -4.67 120.51 117.62 2osn n ALA 115 Ca 0.16 -0.62 -0.24 0.00 0.00 0.00 0.00 53.44 52.74 2osn n ALA 115 Cb 0.89 -0.97 0.11 0.00 0.00 0.00 0.00 19.45 19.48 2osn n ALA 115 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2osn s SER 116 N -1.90 4.30 0.00 0.00 1.04 0.16 -4.97 113.70 112.33 2osn s SER 116 Ca 0.33 -0.18 0.15 0.00 0.48 0.00 0.00 55.95 56.73 2osn s SER 116 Cb 0.20 -0.22 0.86 0.00 0.10 0.00 0.00 66.02 66.97 2osn s SER 116 CO 0.31 -1.90 1.32 -0.46 0.98 0.00 0.00 173.24 173.50 2osn n ASN 117 N -2.92 0.00 0.03 7.02 0.23 -1.26 -2.96 115.26 115.39 2osn n ASN 117 Ca 0.14 -0.36 -0.02 0.00 -0.53 0.00 0.00 54.58 53.81 2osn n ASN 117 Cb 0.60 -0.06 -0.09 0.00 -2.08 0.00 0.00 39.78 38.16 2osn n ASN 117 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2osn h SER 118 N 0.00 0.00 -0.53 0.53 4.64 -1.94 -3.29 113.55 112.96 2osn h SER 118 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2osn h SER 118 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.06 2osn h SER 118 CO 0.00 0.67 0.13 0.00 -0.87 0.00 0.00 176.83 176.76