#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pru h GLU 2 N 0.00 0.46 0.00 1.43 4.57 -2.06 -1.72 114.58 117.26 2pru h GLU 2 Ca 0.00 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2pru h GLU 2 Cb 0.00 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2pru h GLU 2 CO 0.00 0.31 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.78 2pru h LEU 3 N 0.48 0.00 0.83 1.64 -0.00 -2.05 -3.12 115.31 113.09 2pru h LEU 3 Ca 0.34 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.18 2pru h LEU 3 Cb 0.41 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2pru h LEU 3 CO -0.31 0.28 -0.40 -0.33 -0.00 0.00 0.00 178.44 177.69 2pru h GLU 4 N 0.00 -1.07 0.00 1.13 5.08 -1.74 0.16 114.58 118.14 2pru h GLU 4 Ca -0.00 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2pru h GLU 4 Cb 0.54 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2pru h GLU 4 CO 0.04 -0.70 -0.04 1.57 -1.00 0.00 0.00 179.01 178.88 2pru h LYS 5 N -1.20 0.00 0.07 2.33 5.09 -1.59 0.83 116.57 122.09 2pru h LYS 5 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.62 2pru h LYS 5 Cb 0.86 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.19 2pru h LYS 5 CO 0.19 0.04 -0.03 0.00 -2.09 0.00 0.00 179.45 177.55 2pru h ALA 6 N 1.96 -0.10 -0.22 0.07 0.00 -1.43 -3.14 119.26 116.41 2pru h ALA 6 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2pru h ALA 6 Cb 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pru h ALA 6 CO 0.00 -0.12 -0.34 1.98 0.00 0.00 0.00 179.25 180.77 2pru h MET 7 N -0.97 0.46 -0.02 0.00 1.85 -0.33 -2.09 114.93 113.82 2pru h MET 7 Ca -0.01 -0.21 -0.07 0.00 -0.61 0.00 0.00 59.70 58.81 2pru h MET 7 Cb 0.46 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 2pru h MET 7 CO 0.02 0.75 -0.30 0.28 -0.40 0.00 0.00 176.91 177.26 2pru h VAL 8 N 0.39 1.22 -0.16 -5.77 2.07 -1.00 -1.40 116.25 111.61 2pru h VAL 8 Ca 0.04 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 2pru h VAL 8 Cb 0.79 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2pru h VAL 8 CO 0.06 0.30 -0.54 0.00 0.02 0.00 0.00 177.57 177.42 2pru h ALA 9 N 1.67 0.78 -0.29 1.67 0.00 -1.34 0.36 119.26 122.11 2pru h ALA 9 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 2pru h ALA 9 Cb 0.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2pru h ALA 9 CO 0.04 0.68 -0.15 -0.07 0.00 0.00 0.00 179.25 179.76 2pru h LEU 10 N 0.35 0.49 -0.23 0.00 3.38 -0.89 0.73 115.31 119.14 2pru h LEU 10 Ca 0.01 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 2pru h LEU 10 Cb 1.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2pru h LEU 10 CO 0.10 0.67 -0.53 0.40 0.09 0.00 0.00 178.44 179.16 2pru h ILE 11 N 0.46 1.30 0.00 1.22 2.04 -0.74 -3.07 117.51 118.72 2pru h ILE 11 Ca 0.08 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 2pru h ILE 11 Cb 0.53 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2pru h ILE 11 CO 0.03 0.55 -0.21 -0.78 0.00 0.00 0.00 178.15 177.74 2pru h ASP 12 N 0.50 0.00 -0.43 1.72 3.58 0.18 0.72 116.42 122.69 2pru h ASP 12 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2pru h ASP 12 Cb 1.14 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 2pru h ASP 12 CO 0.12 0.21 0.20 0.58 -2.88 0.00 0.00 179.24 177.47 2pru h VAL 13 N 0.00 1.17 -0.00 2.25 2.07 -0.78 -0.17 116.25 120.80 2pru h VAL 13 Ca -0.00 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2pru h VAL 13 Cb 0.38 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2pru h VAL 13 CO 0.03 0.20 -0.02 0.49 0.02 0.00 0.00 177.57 178.29 2pru n PHE 14 N -4.37 0.00 0.04 1.57 3.72 0.19 -0.43 117.46 118.18 2pru n PHE 14 Ca 0.04 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.22 2pru n PHE 14 Cb 0.14 -0.46 -0.14 0.00 -0.94 0.00 0.00 39.48 38.08 2pru n PHE 14 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2pru h HIS 15 N 0.01 0.56 0.01 1.38 -0.00 -0.64 -3.39 115.15 113.08 2pru h HIS 15 Ca 0.00 -0.41 -0.10 0.00 -0.00 0.00 0.00 60.37 59.87 2pru h HIS 15 Cb 0.47 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2pru h HIS 15 CO 0.00 1.47 -0.39 1.96 -0.00 0.00 0.00 177.93 180.97 2pru h GLN 16 N -0.26 0.25 -5.34 5.26 1.08 -0.84 -3.43 115.11 111.83 2pru h GLN 16 Ca -0.24 -0.28 -0.60 0.00 -1.45 0.00 0.00 58.65 56.08 2pru h GLN 16 Cb 1.78 0.08 -0.12 0.00 -0.05 0.00 0.00 27.48 29.17 2pru h GLN 16 CO 0.12 1.00 -0.31 0.71 -0.95 0.00 0.00 178.83 179.41 2pru s TYR 17 N -3.07 3.37 -0.26 2.96 1.51 0.43 -5.05 117.35 117.25 2pru s TYR 17 Ca -0.15 0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 56.39 2pru s TYR 17 Cb 0.02 -2.42 0.14 0.00 -0.11 0.00 0.00 41.96 39.59 2pru s TYR 17 CO 0.77 0.06 0.38 0.45 -1.11 0.00 0.00 175.55 176.10 2pru s SER 18 N 0.94 0.34 -0.84 2.29 0.15 -1.26 -4.34 113.70 110.98 2pru s SER 18 Ca 0.15 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 2pru s SER 18 Cb -0.14 1.09 0.20 0.00 -1.71 0.00 0.00 66.02 65.46 2pru s SER 18 CO 0.06 -0.32 2.32 0.61 1.20 0.00 0.00 173.24 177.11 2pru n GLY 19 N 5.36 5.18 0.17 9.45 0.00 -1.24 -4.77 105.19 119.34 2pru n GLY 19 Ca -0.02 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.65 2pru n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pru h ARG 20 N 3.53 -0.31 0.00 1.61 0.11 -1.80 -1.65 114.38 115.87 2pru h ARG 20 Ca 0.53 0.02 -0.22 0.00 0.10 0.00 0.00 59.98 60.42 2pru h ARG 20 Cb 0.37 0.07 -0.03 0.00 1.11 0.00 0.00 29.97 31.49 2pru h ARG 20 CO 1.21 -0.21 -1.22 0.39 0.10 0.00 0.00 179.97 180.24 2pru n GLU 21 N -5.24 0.56 -0.08 0.08 4.71 -1.26 -1.89 120.64 117.50 2pru n GLU 21 Ca -0.09 0.57 -0.13 0.00 -0.01 0.00 0.00 57.16 57.51 2pru n GLU 21 Cb 0.16 -1.74 -0.05 0.00 -1.01 0.00 0.00 31.44 28.80 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2pru h GLY 22 N -1.00 0.60 -3.90 0.62 0.00 -1.93 -3.27 103.07 94.20 2pru h GLY 22 Ca -0.33 -0.58 -0.57 0.00 0.00 0.00 0.00 47.33 45.85 2pru h GLY 22 CO -0.20 0.52 0.68 1.22 0.00 0.00 0.00 176.54 178.76 2pru n ASP 23 N -4.43 5.46 -2.58 0.19 8.00 -0.69 -4.84 116.55 117.67 2pru n ASP 23 Ca -0.04 -3.70 -0.20 0.00 0.71 0.00 0.00 54.79 51.55 2pru n ASP 23 Cb 0.39 -0.88 0.02 0.00 -0.02 0.00 0.00 41.12 40.63 2pru n ASP 23 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2pru n LYS 24 N -1.04 -3.46 -0.69 -1.24 4.81 -1.23 -2.64 118.16 112.68 2pru n LYS 24 Ca 0.60 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.91 2pru n LYS 24 Cb 1.18 -5.54 0.00 0.00 0.02 0.00 0.00 35.03 30.69 2pru n LYS 24 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2pru n HIS 25 N -4.28 0.00 -4.11 5.64 -0.00 -0.79 -5.00 115.22 106.68 2pru n HIS 25 Ca -0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.52 2pru n HIS 25 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.61 2pru n HIS 25 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2pru n LYS 26 N -2.00 1.74 -0.04 1.57 4.76 -1.08 -4.57 118.16 118.55 2pru n LYS 26 Ca 0.00 -0.54 -0.15 0.00 -2.87 0.00 0.00 58.31 54.75 2pru n LYS 26 Cb 0.00 0.16 -0.14 0.00 -1.84 0.00 0.00 35.03 33.21 2pru n LYS 26 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pru n LEU 27 N 0.00 1.77 -1.18 -0.35 7.99 -1.20 -3.61 117.00 120.42 2pru n LEU 27 Ca -0.03 0.20 0.16 0.00 -0.01 0.00 0.00 56.01 56.33 2pru n LEU 27 Cb 0.09 -0.46 -0.05 0.00 -0.11 0.00 0.00 43.42 42.90 2pru n LEU 27 CO 0.05 0.67 -0.30 0.29 -1.51 0.00 0.00 177.39 176.59 2pru n LYS 28 N -3.21 -2.48 0.22 3.23 4.01 -1.26 -2.54 118.16 116.14 2pru n LYS 28 Ca -0.29 1.75 0.14 0.00 -0.51 0.00 0.00 58.31 59.40 2pru n LYS 28 Cb 1.06 -2.98 0.42 0.00 -0.51 0.00 0.00 35.03 33.01 2pru n LYS 28 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2pru h LYS 29 N -1.11 0.00 -0.82 1.97 6.56 -1.57 -3.19 116.57 118.41 2pru h LYS 29 Ca -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 2pru h LYS 29 Cb 1.09 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.72 2pru h LYS 29 CO 0.03 0.00 0.47 0.77 -2.06 0.00 0.00 179.45 178.65 2pru h SER 30 N 0.00 1.01 1.46 0.86 0.02 -1.76 -1.50 113.55 113.64 2pru h SER 30 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2pru h SER 30 Cb 0.73 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2pru h SER 30 CO 0.00 0.81 -0.38 -0.33 -1.14 0.00 0.00 176.83 175.79 2pru h GLU 31 N 1.14 0.00 0.00 3.45 5.08 -1.52 -3.02 114.58 119.71 2pru h GLU 31 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2pru h GLU 31 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pru h GLU 31 CO -0.05 0.00 -0.10 1.25 -1.00 0.00 0.00 179.01 179.11 2pru h LEU 32 N 0.00 0.00 0.30 1.33 7.12 -1.35 -1.76 115.31 120.95 2pru h LEU 32 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2pru h LEU 32 Cb 0.92 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 2pru h LEU 32 CO 0.00 0.10 -0.30 0.50 -0.13 0.00 0.00 178.44 178.61 2pru h LYS 33 N 0.00 -0.60 0.00 1.25 3.64 -1.16 0.11 116.57 119.80 2pru h LYS 33 Ca -0.00 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2pru h LYS 33 Cb 0.21 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2pru h LYS 33 CO 0.01 -0.40 -0.23 0.93 -2.27 0.00 0.00 179.45 177.49 2pru h GLU 34 N -0.63 0.00 0.60 1.90 5.08 -1.53 -2.18 114.58 117.82 2pru h GLU 34 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2pru h GLU 34 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 2pru h GLU 34 CO -0.06 0.23 -0.29 1.25 -1.00 0.00 0.00 179.01 179.14 2pru h LEU 35 N 0.00 -0.68 -0.92 1.33 5.85 -0.75 -1.88 115.31 118.26 2pru h LEU 35 Ca -0.00 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.78 2pru h LEU 35 Cb 0.47 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 2pru h LEU 35 CO 0.03 -0.31 0.57 0.16 -0.34 0.00 0.00 178.44 178.55 2pru h ILE 36 N -1.10 0.96 -0.05 4.05 3.07 -0.60 0.51 117.51 124.36 2pru h ILE 36 Ca -0.08 -0.33 -0.17 0.00 1.55 0.00 0.00 64.86 65.83 2pru h ILE 36 Cb 0.66 -0.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.13 2pru h ILE 36 CO 0.13 0.17 -0.72 0.78 -1.05 0.00 0.00 178.15 177.47 2pru h ASN 37 N 0.96 0.31 0.00 2.16 2.35 -1.48 -3.37 115.58 116.51 2pru h ASN 37 Ca 0.43 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2pru h ASN 37 Cb 0.34 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2pru h ASN 37 CO -0.23 0.93 0.00 -3.20 -1.65 0.00 0.00 177.43 173.28 2pru n ASN 38 N -3.80 0.00 0.05 5.81 5.15 -0.57 -4.72 115.26 117.18 2pru n ASN 38 Ca -0.03 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.07 2pru n ASN 38 Cb 0.70 -0.01 0.49 0.00 -0.53 0.00 0.00 39.78 40.42 2pru n ASN 38 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2pru n GLU 39 N -1.30 0.11 0.07 1.20 4.07 -0.76 -2.85 120.64 121.17 2pru n GLU 39 Ca 0.00 0.17 -0.21 0.00 -0.06 0.00 0.00 57.16 57.06 2pru n GLU 39 Cb 0.00 -1.64 -0.13 0.00 -0.06 0.00 0.00 31.44 29.60 2pru n GLU 39 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2pru h LEU 40 N 0.00 0.67 0.00 4.31 6.46 -1.18 -3.49 115.31 122.08 2pru h LEU 40 Ca 0.00 -0.86 0.00 0.00 -0.12 0.00 0.00 57.88 56.90 2pru h LEU 40 Cb 0.51 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2pru h LEU 40 CO 0.00 1.47 0.00 -1.54 -0.62 0.00 0.00 178.44 177.75 2pru n SER 41 N -3.99 0.50 -0.13 1.25 3.41 -1.13 -5.05 113.62 108.47 2pru n SER 41 Ca -0.13 -0.63 -0.27 0.00 -0.26 0.00 0.00 58.87 57.58 2pru n SER 41 Cb 0.88 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.72 2pru n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2pru n HIS 42 N 0.00 0.05 0.09 7.33 8.25 -1.26 -4.79 115.22 124.89 2pru n HIS 42 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2pru n HIS 42 Cb 0.00 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.11 2pru n HIS 42 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2pru n PHE 43 N -4.02 -3.01 -1.17 4.41 7.35 -1.26 -4.94 117.46 114.82 2pru n PHE 43 Ca -0.52 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 2pru n PHE 43 Cb 0.91 1.82 0.00 0.00 0.35 0.00 0.00 39.48 42.56 2pru n PHE 43 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2pru n LEU 44 N -2.91 -4.56 0.00 -2.13 7.99 -1.26 -4.98 117.00 109.14 2pru n LEU 44 Ca 0.00 1.91 0.00 0.00 -0.01 0.00 0.00 56.01 57.91 2pru n LEU 44 Cb 0.00 -1.62 0.00 0.00 -0.11 0.00 0.00 43.42 41.69 2pru n LEU 44 CO 0.00 -0.52 0.00 -0.62 -1.51 0.00 0.00 177.39 174.74 2pru n GLU 45 N 0.32 0.00 -2.77 3.23 1.02 -1.26 -4.96 120.64 116.22 2pru n GLU 45 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2pru n GLU 45 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.47 2pru n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pru n GLU 46 N -0.34 1.84 -0.10 3.49 1.02 -1.26 -4.22 120.64 121.08 2pru n GLU 46 Ca 0.00 -3.55 -0.21 0.00 -0.02 0.00 0.00 57.16 53.38 2pru n GLU 46 Cb 0.00 -1.64 -0.12 0.00 -0.02 0.00 0.00 31.44 29.66 2pru n GLU 46 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2pru h ILE 47 N 5.25 1.04 0.00 -3.67 2.04 -2.00 -3.48 117.51 116.70 2pru h ILE 47 Ca -0.10 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.55 2pru h ILE 47 Cb 1.28 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 2pru h ILE 47 CO 0.24 0.37 0.00 1.17 0.00 0.00 0.00 178.15 179.92 2pru n LYS 48 N -4.44 0.00 -0.19 2.37 0.00 -1.26 -4.93 118.16 109.71 2pru n LYS 48 Ca -0.29 0.00 0.26 0.00 0.00 0.00 0.00 58.31 58.28 2pru n LYS 48 Cb 0.66 0.00 0.67 0.00 0.00 0.00 0.00 35.03 36.36 2pru n LYS 48 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2pru h GLU 49 N 0.00 0.09 -1.10 1.64 -0.00 -1.85 -2.87 114.58 110.50 2pru h GLU 49 Ca 0.00 -0.01 0.30 0.00 -0.00 0.00 0.00 59.36 59.65 2pru h GLU 49 Cb 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 28.75 28.64 2pru h GLU 49 CO 0.00 0.06 0.72 -0.56 -0.00 0.00 0.00 179.01 179.23 2pru h GLN 50 N 0.10 0.28 -0.22 1.06 3.07 -1.88 0.61 115.11 118.14 2pru h GLN 50 Ca 0.43 -0.02 -0.11 0.00 0.09 0.00 0.00 58.65 59.05 2pru h GLN 50 Cb 1.57 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 29.06 2pru h GLN 50 CO -0.05 0.19 -0.28 1.49 0.09 0.00 0.00 178.83 180.26 2pru h GLU 51 N 0.29 0.58 0.01 0.06 4.22 -1.86 -3.11 114.58 114.76 2pru h GLU 51 Ca 0.62 -0.33 -0.23 0.00 0.08 0.00 0.00 59.36 59.50 2pru h GLU 51 Cb 1.75 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.00 2pru h GLU 51 CO -0.27 0.93 -1.13 0.28 -2.18 0.00 0.00 179.01 176.65 2pru h VAL 52 N 0.26 1.56 -0.88 0.32 2.07 -0.80 -3.15 116.25 115.63 2pru h VAL 52 Ca 0.03 -3.29 -0.00 0.00 0.82 0.00 0.00 66.70 64.25 2pru h VAL 52 Cb 0.86 2.78 -0.04 0.00 -1.52 0.00 0.00 31.29 33.37 2pru h VAL 52 CO 0.07 0.89 0.55 0.58 0.02 0.00 0.00 177.57 179.68 2pru h VAL 53 N 0.00 1.24 -0.41 2.57 2.07 0.05 0.41 116.25 122.18 2pru h VAL 53 Ca -0.06 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 2pru h VAL 53 Cb 1.82 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2pru h VAL 53 CO 0.12 0.25 -0.08 -0.78 0.02 0.00 0.00 177.57 177.10 2pru h ASP 54 N 1.21 0.77 -0.03 0.57 3.58 -1.58 -2.54 116.42 118.40 2pru h ASP 54 Ca 0.32 -0.35 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 2pru h ASP 54 Cb -0.08 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 2pru h ASP 54 CO -0.06 0.95 -0.17 0.11 -2.88 0.00 0.00 179.24 177.19 2pru h LYS 55 N 0.59 0.38 -0.18 0.28 1.57 -1.34 -1.30 116.57 116.56 2pru h LYS 55 Ca 0.11 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2pru h LYS 55 Cb 0.60 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2pru h LYS 55 CO 0.04 0.54 -0.49 -0.24 -0.57 0.00 0.00 179.45 178.73 2pru h VAL 56 N 0.35 1.32 -0.49 0.50 3.04 -0.06 0.77 116.25 121.67 2pru h VAL 56 Ca 0.06 -1.71 -0.12 0.00 -1.01 0.00 0.00 66.70 63.92 2pru h VAL 56 Cb 0.50 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 2pru h VAL 56 CO 0.03 0.53 -0.16 0.24 -1.01 0.00 0.00 177.57 177.21 2pru h MET 57 N 0.39 0.96 0.40 4.17 2.86 -1.02 0.72 114.93 123.41 2pru h MET 57 Ca 0.02 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 2pru h MET 57 Cb 1.00 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.61 2pru h MET 57 CO 0.09 1.04 -0.19 1.49 1.06 0.00 0.00 176.91 180.39 2pru h GLU 58 N 0.84 -0.52 -0.74 1.72 4.81 -1.02 -2.19 114.58 117.49 2pru h GLU 58 Ca 0.12 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2pru h GLU 58 Cb 0.71 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2pru h GLU 58 CO 0.05 -0.23 0.29 1.79 -0.73 0.00 0.00 179.01 180.18 2pru h THR 59 N -0.78 1.25 -0.34 0.32 1.35 -0.80 0.22 112.91 114.12 2pru h THR 59 Ca -0.06 -0.79 0.07 0.00 -0.55 0.00 0.00 66.41 65.08 2pru h THR 59 Cb 0.53 0.38 -0.07 0.00 -1.73 0.00 0.00 68.15 67.25 2pru h THR 59 CO 0.09 0.32 -0.15 0.25 -0.25 0.00 0.00 175.52 175.78 2pru h LEU 60 N 1.07 -0.53 -0.32 3.87 5.85 -0.84 0.23 115.31 124.64 2pru h LEU 60 Ca 0.25 0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.90 2pru h LEU 60 Cb 0.21 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2pru h LEU 60 CO -0.02 -0.19 -0.64 -0.78 -0.34 0.00 0.00 178.44 176.47 2pru h ASP 61 N -0.10 0.83 0.82 1.25 3.58 -0.96 -1.50 116.42 120.34 2pru h ASP 61 Ca 0.17 -0.49 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 2pru h ASP 61 Cb 0.36 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.18 2pru h ASP 61 CO -0.40 1.26 -0.39 -1.13 -2.88 0.00 0.00 179.24 175.70 2pru h ASN 62 N 0.53 -0.93 0.05 2.28 -0.73 -0.09 -3.35 115.58 113.34 2pru h ASN 62 Ca -0.01 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 2pru h ASN 62 Cb 1.24 0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.07 2pru h ASN 62 CO 0.13 -0.57 -0.03 -0.78 -0.37 0.00 0.00 177.43 175.82 2pru h ASP 63 N -1.29 -0.06 0.00 1.15 3.58 -0.68 -3.46 116.42 115.65 2pru h ASP 63 Ca -0.11 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.76 2pru h ASP 63 Cb 0.84 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2pru h ASP 63 CO 0.18 0.61 0.00 0.61 -2.88 0.00 0.00 179.24 177.76 2pru n GLY 64 N 0.84 0.71 3.65 -0.78 0.00 -0.57 -4.74 105.19 104.31 2pru n GLY 64 Ca -0.08 0.57 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 2pru n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pru s ASP 65 N -4.00 2.07 0.00 1.61 2.15 -1.26 -1.85 116.67 115.39 2pru s ASP 65 Ca 0.00 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.97 2pru s ASP 65 Cb 0.00 -1.53 0.00 0.00 -0.30 0.00 0.00 42.92 41.09 2pru s ASP 65 CO 0.00 -3.45 0.00 0.61 -0.17 0.00 0.00 175.17 172.16 2pru n GLY 66 N -1.08 0.57 3.51 2.66 0.00 -1.26 -4.80 105.19 104.80 2pru n GLY 66 Ca 0.07 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 2pru n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pru n GLU 67 N 0.53 0.59 -2.67 1.61 -0.58 -1.26 -4.36 120.64 114.49 2pru n GLU 67 Ca 0.00 0.03 -0.43 0.00 -0.42 0.00 0.00 57.16 56.34 2pru n GLU 67 Cb 0.00 -2.49 -0.02 0.00 -0.57 0.00 0.00 31.44 28.36 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pru n ASP 69 N 5.61 0.00 -0.23 0.00 2.03 -1.26 -3.24 116.55 119.46 2pru n ASP 69 Ca 0.10 0.00 0.24 0.00 0.52 0.00 0.00 54.79 55.66 2pru n ASP 69 Cb 0.47 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.49 2pru n ASP 69 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2pru h PHE 70 N 0.00 0.29 0.21 -0.67 -5.15 -1.93 0.08 116.94 109.77 2pru h PHE 70 Ca 0.00 0.01 -0.01 0.00 -0.20 0.00 0.00 57.97 57.77 2pru h PHE 70 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 36.08 2pru h PHE 70 CO 0.00 0.06 -0.10 0.37 -2.00 0.00 0.00 178.31 176.64 2pru h GLN 71 N 0.21 -0.27 -0.16 6.09 4.15 -1.95 -2.48 115.11 120.69 2pru h GLN 71 Ca 0.47 0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.81 2pru h GLN 71 Cb 1.50 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.24 2pru h GLN 71 CO -0.11 0.11 -0.35 0.93 -1.93 0.00 0.00 178.83 177.48 2pru h GLU 72 N -0.89 0.32 0.10 1.69 5.08 -1.78 -1.18 114.58 117.92 2pru h GLU 72 Ca -0.03 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2pru h GLU 72 Cb 0.51 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2pru h GLU 72 CO 0.05 0.64 -0.32 0.74 -1.00 0.00 0.00 179.01 179.12 2pru h PHE 73 N 0.28 -0.88 -0.66 4.33 -1.00 -1.04 0.12 116.94 118.10 2pru h PHE 73 Ca 0.03 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 2pru h PHE 73 Cb 0.76 0.37 -0.03 0.00 3.61 0.00 0.00 35.95 40.66 2pru h PHE 73 CO 0.02 -0.42 0.37 1.98 -1.61 0.00 0.00 178.31 178.65 2pru h MET 74 N -0.53 0.91 -0.59 1.51 1.85 -1.32 -2.03 114.93 114.72 2pru h MET 74 Ca 0.04 -0.10 0.04 0.00 -0.61 0.00 0.00 59.70 59.07 2pru h MET 74 Cb 0.57 -0.18 -0.05 0.00 0.43 0.00 0.00 31.60 32.37 2pru h MET 74 CO -0.20 0.67 0.34 0.00 -0.40 0.00 0.00 176.91 177.31 2pru h ALA 75 N 1.19 0.77 0.00 0.39 0.00 -0.64 0.06 119.26 121.04 2pru h ALA 75 Ca 0.23 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2pru h ALA 75 Cb 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.69 2pru h ALA 75 CO -0.04 0.03 -0.51 0.74 0.00 0.00 0.00 179.25 179.47 2pru h PHE 76 N 0.64 0.51 -0.37 0.00 -1.00 -0.67 -2.82 116.94 113.23 2pru h PHE 76 Ca 0.25 -0.28 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 2pru h PHE 76 Cb 0.11 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 2pru h PHE 76 CO -0.08 1.10 0.16 -0.24 -1.61 0.00 0.00 178.31 177.64 2pru h VAL 77 N -0.22 1.18 0.00 -0.55 3.04 -1.22 -1.29 116.25 117.20 2pru h VAL 77 Ca -0.07 -0.55 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 2pru h VAL 77 Cb 1.24 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 2pru h VAL 77 CO 0.10 0.20 -0.25 0.00 -1.01 0.00 0.00 177.57 176.61 2pru h ALA 78 N 1.00 1.02 0.00 3.17 0.00 -1.10 -2.13 119.26 121.22 2pru h ALA 78 Ca 0.12 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 2pru h ALA 78 Cb 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2pru h ALA 78 CO -0.01 0.31 -1.33 0.00 0.00 0.00 0.00 179.25 178.22 2pru h MET 79 N 0.00 0.00 -0.04 0.00 -0.00 -1.21 0.25 114.93 113.92 2pru h MET 79 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.52 2pru h MET 79 Cb 0.77 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.38 2pru h MET 79 CO 0.03 0.72 -0.65 -0.39 -0.00 0.00 0.00 176.91 176.62 2pru h VAL 80 N 0.00 1.38 0.00 -0.10 -1.51 -0.95 -3.13 116.25 111.94 2pru h VAL 80 Ca -0.14 -2.02 -0.02 0.00 -1.23 0.00 0.00 66.70 63.28 2pru h VAL 80 Cb 1.86 2.40 -0.00 0.00 -2.13 0.00 0.00 31.29 33.42 2pru h VAL 80 CO 0.10 0.60 -0.31 0.74 -1.23 0.00 0.00 177.57 177.48 2pru h THR 81 N 0.08 0.32 0.00 7.19 2.02 -1.54 -3.39 112.91 117.58 2pru h THR 81 Ca -0.07 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.82 2pru h THR 81 Cb 1.33 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2pru h THR 81 CO 0.13 0.11 -0.01 0.74 0.37 0.00 0.00 175.52 176.85 2pru h THR 82 N -1.00 0.00 0.00 3.16 2.02 -1.50 -3.44 112.91 112.15 2pru h THR 82 Ca -0.04 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2pru h THR 82 Cb 0.44 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2pru h THR 82 CO -0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.87 2pru n ALA 83 N -2.20 0.00 -3.76 6.16 0.00 0.78 -4.23 120.51 117.26 2pru n ALA 83 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2pru n ALA 83 Cb 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2pru n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pru n HIS 85 N 5.15 -3.25 -1.11 0.00 8.25 -1.26 -4.98 115.22 118.02 2pru n HIS 85 Ca -0.07 1.43 0.01 0.00 -0.26 0.00 0.00 57.72 58.83 2pru n HIS 85 Cb 0.50 -3.45 0.02 0.00 1.12 0.00 0.00 29.99 28.17 2pru n HIS 85 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2pru n GLU 86 N 0.77 0.71 -0.40 -0.41 -0.58 -1.26 -4.83 120.64 114.64 2pru n GLU 86 Ca 0.00 -1.08 0.05 0.00 -0.42 0.00 0.00 57.16 55.71 2pru n GLU 86 Cb 0.12 -0.72 0.21 0.00 -0.57 0.00 0.00 31.44 30.48 2pru n GLU 86 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2pru n PHE 87 N -0.27 0.95 0.14 -0.32 3.72 -1.26 -2.84 117.46 117.59 2pru n PHE 87 Ca 0.02 -0.36 0.11 0.00 -0.05 0.00 0.00 57.45 57.17 2pru n PHE 87 Cb 0.53 -0.22 -0.15 0.00 -0.94 0.00 0.00 39.48 38.70 2pru n PHE 87 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2pru n PHE 88 N 0.47 0.05 0.01 1.38 -1.74 -1.26 -3.19 117.46 113.18 2pru n PHE 88 Ca 0.15 0.01 -0.01 0.00 -0.56 0.00 0.00 57.45 57.04 2pru n PHE 88 Cb 0.63 -0.45 -0.00 0.00 1.52 0.00 0.00 39.48 41.18 2pru n PHE 88 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 2pru h GLU 89 N 0.00 -0.05 0.00 3.97 4.39 -1.92 -3.41 114.58 117.55 2pru h GLU 89 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2pru h GLU 89 Cb 0.93 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 2pru h GLU 89 CO 0.00 -0.03 -0.38 1.25 -1.16 0.00 0.00 179.01 178.69 2pru h HIS 90 N -0.25 0.00 0.00 4.33 2.76 -1.81 -3.54 115.15 116.64 2pru h HIS 90 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2pru h HIS 90 Cb 0.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2pru h HIS 90 CO 0.03 0.35 0.00 -1.91 -1.30 0.00 0.00 177.93 175.09