#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 -0.18 -0.75 1.43 4.57 -2.06 -2.66 114.58 114.93 2pru h GLU 2 Ca 0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 2pru h GLU 2 Cb 0.00 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2pru h GLU 2 CO 0.00 0.28 0.33 1.25 -1.18 0.00 0.00 179.01 179.69 2pru h LEU 3 N -0.84 1.01 -0.03 1.64 7.12 -2.05 -2.39 115.31 119.77 2pru h LEU 3 Ca -0.02 -0.14 0.03 0.00 0.13 0.00 0.00 57.88 57.89 2pru h LEU 3 Cb 0.54 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 40.35 2pru h LEU 3 CO 0.03 0.88 -0.45 -0.08 -0.13 0.00 0.00 178.44 178.69 2pru h GLU 4 N 1.08 -0.56 -0.64 1.25 4.81 -2.00 0.40 114.58 118.92 2pru h GLU 4 Ca 0.26 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 2pru h GLU 4 Cb 0.16 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 2pru h GLU 4 CO -0.03 -0.38 0.25 -0.22 -0.73 0.00 0.00 179.01 177.91 2pru h LYS 5 N -0.59 0.42 -0.05 1.92 3.64 -1.08 0.02 116.57 120.87 2pru h LYS 5 Ca 0.04 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2pru h LYS 5 Cb 0.67 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2pru h LYS 5 CO -0.34 0.28 0.02 0.00 -2.27 0.00 0.00 179.45 177.13 2pru h ALA 6 N 1.44 0.06 -0.36 5.00 0.00 -1.00 -0.19 119.26 124.21 2pru h ALA 6 Ca 0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2pru h ALA 6 Cb 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2pru h ALA 6 CO -0.31 -0.34 0.22 1.98 0.00 0.00 0.00 179.25 180.80 2pru h MET 7 N -0.11 0.49 -0.49 0.00 1.85 -0.40 -1.62 114.93 114.65 2pru h MET 7 Ca 0.01 -0.04 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 2pru h MET 7 Cb 0.20 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 2pru h MET 7 CO -0.00 0.36 0.18 0.28 -0.40 0.00 0.00 176.91 177.33 2pru h VAL 8 N 0.47 1.22 -0.49 -5.77 2.07 -0.95 -2.56 116.25 110.24 2pru h VAL 8 Ca 0.13 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2pru h VAL 8 Cb -0.00 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2pru h VAL 8 CO -0.03 0.26 0.19 0.00 0.02 0.00 0.00 177.57 178.01 2pru h ALA 9 N 1.03 1.40 -0.01 1.67 0.00 -0.68 0.42 119.26 123.09 2pru h ALA 9 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pru h ALA 9 Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pru h ALA 9 CO -0.01 0.45 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 2pru h LEU 10 N 0.70 0.01 -0.36 0.00 3.38 -1.03 -0.16 115.31 117.86 2pru h LEU 10 Ca 0.17 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 2pru h LEU 10 Cb 0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2pru h LEU 10 CO -0.01 0.30 -0.73 0.16 0.09 0.00 0.00 178.44 178.25 2pru h ILE 11 N -0.28 1.36 0.00 1.22 3.07 -1.21 -3.15 117.51 118.52 2pru h ILE 11 Ca 0.00 -2.09 -0.04 0.00 1.55 0.00 0.00 64.86 64.28 2pru h ILE 11 Cb 0.30 2.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.91 2pru h ILE 11 CO 0.00 0.64 -0.19 -0.78 -1.05 0.00 0.00 178.15 176.77 2pru h ASP 12 N 0.33 0.00 -0.30 2.16 3.58 -0.16 -1.83 116.42 120.21 2pru h ASP 12 Ca -0.03 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 2pru h ASP 12 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.36 2pru h ASP 12 CO 0.13 0.19 -0.06 1.62 -2.88 0.00 0.00 179.24 178.24 2pru h VAL 13 N 0.00 1.28 -0.32 2.25 3.04 -0.97 -1.65 116.25 119.87 2pru h VAL 13 Ca -0.00 -1.08 -0.01 0.00 -1.01 0.00 0.00 66.70 64.61 2pru h VAL 13 Cb 0.85 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2pru h VAL 13 CO 0.02 0.34 0.01 0.49 -1.01 0.00 0.00 177.57 177.43 2pru n PHE 14 N -4.50 1.17 -0.06 3.17 3.72 -1.13 -1.54 117.46 118.29 2pru n PHE 14 Ca -0.03 -0.42 -0.20 0.00 -0.05 0.00 0.00 57.45 56.76 2pru n PHE 14 Cb 0.31 -0.34 -0.13 0.00 -0.94 0.00 0.00 39.48 38.38 2pru n PHE 14 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2pru n HIS 15 N 0.33 0.64 -0.02 1.38 -0.00 -0.70 -4.45 115.22 112.40 2pru n HIS 15 Ca 0.16 0.14 -0.16 0.00 -0.00 0.00 0.00 57.72 57.86 2pru n HIS 15 Cb 0.78 -1.08 -0.12 0.00 -0.00 0.00 0.00 29.99 29.58 2pru n HIS 15 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2pru h GLN 16 N 0.02 0.20 -5.67 1.57 1.08 -1.04 -3.43 115.11 107.85 2pru h GLN 16 Ca -0.50 -0.22 -0.58 0.00 -1.45 0.00 0.00 58.65 55.89 2pru h GLN 16 Cb 1.96 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 29.37 2pru h GLN 16 CO -0.00 0.96 -0.20 0.71 -0.95 0.00 0.00 178.83 179.35 2pru s TYR 17 N -3.08 3.50 0.36 2.96 1.51 -0.59 -5.04 117.35 116.98 2pru s TYR 17 Ca -0.16 0.81 -0.14 0.00 -1.01 0.00 0.00 57.07 56.57 2pru s TYR 17 Cb 0.01 -2.48 0.04 0.00 -0.11 0.00 0.00 41.96 39.42 2pru s TYR 17 CO 0.75 0.20 0.72 0.45 -1.11 0.00 0.00 175.55 176.56 2pru s SER 18 N 0.53 0.14 0.02 2.29 0.15 -1.26 -4.26 113.70 111.30 2pru s SER 18 Ca 0.23 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2pru s SER 18 Cb -0.14 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2pru s SER 18 CO 0.08 -1.57 0.00 0.61 1.20 0.00 0.00 173.24 173.57 2pru n GLY 19 N -0.52 0.90 0.02 9.45 0.00 -0.10 -4.85 105.19 110.09 2pru n GLY 19 Ca -0.06 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 2pru n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pru n ARG 20 N -0.05 1.64 0.00 1.61 0.00 -1.26 -4.38 116.66 114.22 2pru n ARG 20 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 2pru n ARG 20 Cb 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 32.46 31.37 2pru n ARG 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2pru n GLU 21 N -2.39 0.00 0.08 2.89 1.02 -1.26 -4.80 120.64 116.18 2pru n GLU 21 Ca -0.07 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.92 2pru n GLU 21 Cb 0.59 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.93 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2pru h GLY 22 N 0.00 0.45 -0.32 0.62 0.00 -1.95 -3.13 103.07 98.75 2pru h GLY 22 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.44 2pru h GLY 22 CO 0.00 0.79 0.00 2.09 0.00 0.00 0.00 176.54 179.42 2pru n ASP 23 N -3.69 1.26 -0.02 0.19 5.68 -1.24 -2.08 116.55 116.64 2pru n ASP 23 Ca -0.08 -1.49 -0.07 0.00 -0.50 0.00 0.00 54.79 52.65 2pru n ASP 23 Cb 0.91 -0.03 -0.13 0.00 -1.14 0.00 0.00 41.12 40.72 2pru n ASP 23 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2pru n LYS 24 N 0.01 0.64 0.02 0.11 0.00 -1.19 -0.92 118.16 116.83 2pru n LYS 24 Ca 0.18 0.21 -0.02 0.00 0.00 0.00 0.00 58.31 58.68 2pru n LYS 24 Cb 0.30 -1.74 -0.01 0.00 0.00 0.00 0.00 35.03 33.58 2pru n LYS 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2pru h HIS 25 N 0.00 -0.14 -4.04 5.64 2.76 -1.41 -3.44 115.15 114.51 2pru h HIS 25 Ca -0.30 -0.00 -0.41 0.00 -2.20 0.00 0.00 60.37 57.46 2pru h HIS 25 Cb 1.94 0.05 -0.29 0.00 1.55 0.00 0.00 27.41 30.66 2pru h HIS 25 CO 0.00 -0.09 -0.78 0.15 -1.30 0.00 0.00 177.93 175.91 2pru s LYS 26 N -2.05 0.81 0.49 5.26 1.02 -0.88 -5.05 119.74 119.33 2pru s LYS 26 Ca -0.02 -0.35 0.24 0.00 0.02 0.00 0.00 55.97 55.86 2pru s LYS 26 Cb 0.00 -0.78 1.29 0.00 -0.52 0.00 0.00 37.83 37.82 2pru s LYS 26 CO 0.07 0.20 2.02 -0.07 -0.92 0.00 0.00 175.35 176.65 2pru h LEU 27 N 5.94 0.00 -0.44 3.17 -0.00 -1.71 -3.29 115.31 118.99 2pru h LEU 27 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2pru h LEU 27 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2pru h LEU 27 CO 0.49 0.16 -0.46 0.29 -0.00 0.00 0.00 178.44 178.92 2pru n LYS 28 N -3.75 -2.11 0.02 1.13 4.76 -1.25 -4.03 118.16 112.93 2pru n LYS 28 Ca -0.02 1.61 0.03 0.00 -2.87 0.00 0.00 58.31 57.07 2pru n LYS 28 Cb 0.27 -1.93 0.42 0.00 -1.84 0.00 0.00 35.03 31.95 2pru n LYS 28 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2pru h LYS 29 N 0.38 0.49 -0.39 1.97 1.57 -0.25 -1.98 116.57 118.35 2pru h LYS 29 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2pru h LYS 29 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2pru h LYS 29 CO 0.00 0.37 0.18 0.77 -0.57 0.00 0.00 179.45 180.19 2pru h SER 30 N 0.50 0.49 0.95 0.86 0.02 -1.83 -1.59 113.55 112.95 2pru h SER 30 Ca 0.13 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 2pru h SER 30 Cb 0.02 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2pru h SER 30 CO -0.02 0.43 -1.12 -0.33 -1.14 0.00 0.00 176.83 174.65 2pru h GLU 31 N 0.55 0.00 0.00 3.45 4.39 -1.56 -3.22 114.58 118.19 2pru h GLU 31 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 2pru h GLU 31 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2pru h GLU 31 CO -0.02 0.48 -0.04 1.25 -1.16 0.00 0.00 179.01 179.52 2pru h LEU 32 N 0.00 0.00 0.47 1.33 7.12 -0.60 -2.28 115.31 121.35 2pru h LEU 32 Ca -0.11 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.89 2pru h LEU 32 Cb 1.61 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.72 2pru h LEU 32 CO 0.07 0.04 -0.43 0.50 -0.13 0.00 0.00 178.44 178.49 2pru h LYS 33 N 0.00 -0.87 -1.00 1.25 3.64 -1.35 0.15 116.57 118.38 2pru h LYS 33 Ca -0.00 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 2pru h LYS 33 Cb 0.23 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 2pru h LYS 33 CO 0.01 -0.58 0.62 0.93 -2.27 0.00 0.00 179.45 178.16 2pru h GLU 34 N -0.90 0.89 0.39 1.90 4.39 -1.59 0.12 114.58 119.79 2pru h GLU 34 Ca -0.05 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2pru h GLU 34 Cb 0.79 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2pru h GLU 34 CO -0.04 0.59 -0.19 1.25 -1.16 0.00 0.00 179.01 179.46 2pru h LEU 35 N 0.92 -0.44 -0.84 1.33 7.12 -1.15 0.19 115.31 122.43 2pru h LEU 35 Ca 0.52 -0.04 -0.11 0.00 0.13 0.00 0.00 57.88 58.38 2pru h LEU 35 Cb 0.62 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 2pru h LEU 35 CO -0.30 -0.23 -0.35 0.16 -0.13 0.00 0.00 178.44 177.58 2pru h ILE 36 N -0.63 1.29 -0.10 4.05 3.07 -0.24 0.39 117.51 125.34 2pru h ILE 36 Ca -0.05 -1.45 -0.02 0.00 1.55 0.00 0.00 64.86 64.89 2pru h ILE 36 Cb 0.46 1.52 -0.00 0.00 -0.27 0.00 0.00 36.82 38.52 2pru h ILE 36 CO 0.09 0.45 -0.01 -1.13 -1.05 0.00 0.00 178.15 176.50 2pru h ASN 37 N 0.38 0.18 0.00 2.16 -1.24 -0.68 -3.31 115.58 113.07 2pru h ASN 37 Ca 0.04 -0.32 -0.24 0.00 0.71 0.00 0.00 56.30 56.49 2pru h ASN 37 Cb 0.80 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.75 2pru h ASN 37 CO 0.06 0.46 -1.91 0.59 -1.29 0.00 0.00 177.43 175.34 2pru n ASN 38 N -4.80 2.11 -0.21 1.15 4.13 0.04 -4.68 115.26 113.00 2pru n ASN 38 Ca -0.06 -0.03 0.09 0.00 1.68 0.00 0.00 54.58 56.26 2pru n ASN 38 Cb 0.21 0.45 -0.05 0.00 -1.54 0.00 0.00 39.78 38.84 2pru n ASN 38 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2pru n GLU 39 N -2.66 1.25 0.22 3.52 4.07 0.13 -4.42 120.64 122.75 2pru n GLU 39 Ca -0.24 -0.43 -0.09 0.00 -0.06 0.00 0.00 57.16 56.34 2pru n GLU 39 Cb 0.89 -1.36 -0.04 0.00 -0.06 0.00 0.00 31.44 30.86 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 1.01 -0.50 0.00 4.31 6.46 -1.37 -3.48 115.31 121.73 2pru h LEU 40 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2pru h LEU 40 Cb 0.53 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2pru h LEU 40 CO 0.00 -0.27 0.00 -0.24 -0.62 0.00 0.00 178.44 177.31 2pru n SER 41 N -4.03 0.00 -0.01 1.25 2.88 -1.26 -5.05 113.62 107.40 2pru n SER 41 Ca -0.07 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.54 2pru n SER 41 Cb 0.23 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.58 2pru n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2pru n HIS 42 N -0.07 0.00 -3.38 0.66 -0.00 -1.26 -4.83 115.22 106.34 2pru n HIS 42 Ca 0.00 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.73 2pru n HIS 42 Cb 0.00 -0.25 -0.06 0.00 -0.12 0.00 0.00 29.99 29.56 2pru n HIS 42 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 2pru s PHE 43 N -2.88 3.32 -0.38 1.57 -0.71 -1.26 -5.00 117.98 112.64 2pru s PHE 43 Ca -0.02 -1.48 -0.07 0.00 -1.04 0.00 0.00 56.93 54.31 2pru s PHE 43 Cb 0.10 -3.72 0.06 0.00 -1.21 0.00 0.00 43.02 38.26 2pru s PHE 43 CO 0.63 -1.01 0.18 -0.51 -1.34 0.00 0.00 175.22 173.17 2pru s LEU 44 N 1.48 4.74 0.00 -1.99 2.01 -1.26 -4.93 118.68 118.73 2pru s LEU 44 Ca 0.04 -1.35 0.00 0.00 0.01 0.00 0.00 54.13 52.83 2pru s LEU 44 Cb -0.28 -1.92 0.00 0.00 0.01 0.00 0.00 46.19 44.00 2pru s LEU 44 CO 0.02 -0.43 0.00 -0.62 1.01 0.00 0.00 176.35 176.33 2pru n GLU 45 N 4.84 0.00 -0.30 1.70 1.02 -1.26 -4.84 120.64 121.80 2pru n GLU 45 Ca -0.11 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.07 2pru n GLU 45 Cb 0.44 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 32.01 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 -2.11 2.31 -1.92 3.49 1.02 -1.26 -4.83 120.64 117.35 2pru n GLU 46 Ca 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.96 2pru n GLU 46 Cb 0.00 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 2pru n GLU 46 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2pru n ILE 47 N 0.27 0.00 0.00 -3.67 -5.35 -1.26 -5.14 119.36 104.21 2pru n ILE 47 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2pru n ILE 47 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 2pru n ILE 47 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2pru n LYS 48 N 0.00 0.00 0.00 6.28 3.00 -1.25 -4.94 118.16 121.25 2pru n LYS 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2pru n LYS 48 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 34.94 2pru n LYS 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2pru n GLU 49 N -1.67 0.00 -0.32 1.64 4.71 0.21 -4.53 120.64 120.68 2pru n GLU 49 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 57.16 57.34 2pru n GLU 49 Cb 0.00 0.00 0.44 0.00 -1.01 0.00 0.00 31.44 30.87 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 2pru h GLN 50 N 0.00 0.51 0.00 3.49 3.07 -1.92 0.67 115.11 120.93 2pru h GLN 50 Ca 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.70 2pru h GLN 50 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.45 2pru h GLN 50 CO 0.00 0.34 -0.03 0.93 0.09 0.00 0.00 178.83 180.15 2pru h GLU 51 N 0.53 0.02 -0.22 0.06 5.08 -1.95 -3.35 114.58 114.75 2pru h GLU 51 Ca 0.57 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.72 2pru h GLU 51 Cb 1.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2pru h GLU 51 CO -0.32 0.85 -0.62 0.28 -1.00 0.00 0.00 179.01 178.20 2pru h VAL 52 N -0.80 1.28 -0.84 3.13 2.07 -1.31 -3.13 116.25 116.65 2pru h VAL 52 Ca -0.00 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.79 2pru h VAL 52 Cb 0.86 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 2pru h VAL 52 CO 0.01 0.58 0.49 0.58 0.02 0.00 0.00 177.57 179.24 2pru h VAL 53 N 0.55 0.92 -0.42 2.57 2.07 0.08 0.45 116.25 122.47 2pru h VAL 53 Ca -0.02 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2pru h VAL 53 Cb 1.24 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2pru h VAL 53 CO 0.13 0.15 0.02 -0.78 0.02 0.00 0.00 177.57 177.11 2pru h ASP 54 N 0.82 0.70 -0.45 0.57 3.58 -1.68 0.34 116.42 120.30 2pru h ASP 54 Ca 0.40 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 2pru h ASP 54 Cb 0.36 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2pru h ASP 54 CO -0.24 0.82 0.07 0.11 -2.88 0.00 0.00 179.24 177.12 2pru h LYS 55 N 0.56 0.81 -0.28 0.28 1.57 -1.22 0.58 116.57 118.87 2pru h LYS 55 Ca 0.12 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2pru h LYS 55 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2pru h LYS 55 CO 0.02 0.77 0.12 0.28 -0.57 0.00 0.00 179.45 180.06 2pru h VAL 56 N 0.77 1.17 -0.09 0.50 2.07 0.27 0.76 116.25 121.70 2pru h VAL 56 Ca 0.16 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 2pru h VAL 56 Cb 0.36 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2pru h VAL 56 CO 0.01 0.17 -0.22 0.24 0.02 0.00 0.00 177.57 177.79 2pru h MET 57 N 0.30 0.15 0.63 1.57 2.86 0.28 0.42 114.93 121.14 2pru h MET 57 Ca 0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2pru h MET 57 Cb 0.17 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.82 2pru h MET 57 CO -0.01 0.37 -0.30 1.49 1.06 0.00 0.00 176.91 179.52 2pru h GLU 58 N 0.13 -0.82 -0.87 1.72 4.22 -0.67 -3.07 114.58 115.23 2pru h GLU 58 Ca 0.02 0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 2pru h GLU 58 Cb 0.48 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2pru h GLU 58 CO 0.03 -0.55 0.45 1.79 -2.18 0.00 0.00 179.01 178.56 2pru h THR 59 N -1.19 1.26 -0.59 0.32 1.35 -0.61 0.11 112.91 113.56 2pru h THR 59 Ca -0.09 -0.68 0.11 0.00 -0.55 0.00 0.00 66.41 65.21 2pru h THR 59 Cb 0.65 0.11 -0.08 0.00 -1.73 0.00 0.00 68.15 67.10 2pru h THR 59 CO 0.14 0.30 0.13 0.25 -0.25 0.00 0.00 175.52 176.09 2pru h LEU 60 N 1.22 0.02 0.19 3.87 5.85 -0.25 0.22 115.31 126.44 2pru h LEU 60 Ca 0.30 0.11 -0.27 0.00 0.84 0.00 0.00 57.88 58.86 2pru h LEU 60 Cb 0.07 0.14 0.02 0.00 0.37 0.00 0.00 40.66 41.27 2pru h LEU 60 CO -0.04 0.02 -1.24 -0.78 -0.34 0.00 0.00 178.44 176.05 2pru h ASP 61 N 0.27 0.62 -0.54 1.25 3.58 -1.39 -3.29 116.42 116.92 2pru h ASP 61 Ca 0.31 -0.93 -0.02 0.00 0.42 0.00 0.00 57.03 56.82 2pru h ASP 61 Cb 0.45 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2pru h ASP 61 CO -0.39 1.59 0.29 -1.13 -2.88 0.00 0.00 179.24 176.71 2pru h ASN 62 N -0.12 0.71 -0.32 2.28 -0.73 -0.44 -2.05 115.58 114.91 2pru h ASN 62 Ca -0.23 -0.06 -0.02 0.00 1.87 0.00 0.00 56.30 57.86 2pru h ASN 62 Cb 1.91 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 40.30 2pru h ASN 62 CO 0.19 0.60 0.14 -0.78 -0.37 0.00 0.00 177.43 177.21 2pru h ASP 63 N 0.80 0.43 0.00 1.15 3.58 -0.68 -3.48 116.42 118.21 2pru h ASP 63 Ca 0.20 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2pru h ASP 63 Cb 0.06 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2pru h ASP 63 CO -0.03 0.46 0.00 0.61 -2.88 0.00 0.00 179.24 177.40 2pru n GLY 64 N -0.80 1.29 0.00 -0.78 0.00 -0.77 -4.70 105.19 99.43 2pru n GLY 64 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2pru n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pru n ASP 65 N 0.10 0.00 -3.28 1.61 2.03 -1.26 -4.66 116.55 111.09 2pru n ASP 65 Ca 0.00 0.46 -0.14 0.00 0.52 0.00 0.00 54.79 55.63 2pru n ASP 65 Cb 0.00 -0.42 0.05 0.00 -0.72 0.00 0.00 41.12 40.03 2pru n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pru n GLY 66 N 1.86 -1.17 3.53 0.27 0.00 -1.26 -2.11 105.19 106.31 2pru n GLY 66 Ca 0.00 0.54 -0.37 0.00 0.00 0.00 0.00 46.02 46.19 2pru n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pru n GLU 67 N -2.99 0.70 -1.85 1.61 -0.00 -1.26 -0.52 120.64 116.33 2pru n GLU 67 Ca -0.06 -0.02 -0.42 0.00 -0.00 0.00 0.00 57.16 56.65 2pru n GLU 67 Cb 0.59 -2.84 -0.03 0.00 -0.00 0.00 0.00 31.44 29.16 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pru s ASP 69 N 1.42 4.92 0.54 0.00 1.01 -1.26 -4.07 116.67 119.23 2pru s ASP 69 Ca 0.73 -0.73 0.26 0.00 0.71 0.00 0.00 52.55 53.52 2pru s ASP 69 Cb -0.45 -0.72 1.42 0.00 1.01 0.00 0.00 42.92 44.18 2pru s ASP 69 CO 0.32 -0.44 1.99 2.19 0.21 0.00 0.00 175.17 179.44 2pru h PHE 70 N 1.31 0.00 -0.75 4.23 -5.15 -1.98 -0.89 116.94 113.71 2pru h PHE 70 Ca -0.43 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.29 2pru h PHE 70 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.39 2pru h PHE 70 CO 0.57 0.00 0.29 0.37 -2.00 0.00 0.00 178.31 177.54 2pru h GLN 71 N 0.00 1.13 -0.07 6.09 -0.00 -2.00 -2.81 115.11 117.45 2pru h GLN 71 Ca 0.24 -0.21 -0.15 0.00 -0.00 0.00 0.00 58.65 58.53 2pru h GLN 71 Cb 1.01 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.30 2pru h GLN 71 CO -0.00 0.92 -0.64 0.93 0.00 0.00 0.00 178.83 180.04 2pru h GLU 72 N 1.10 0.25 0.15 1.69 5.08 -1.56 0.21 114.58 121.51 2pru h GLU 72 Ca 0.25 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2pru h GLU 72 Cb 0.23 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2pru h GLU 72 CO -0.02 0.81 -0.36 0.74 -1.00 0.00 0.00 179.01 179.17 2pru h PHE 73 N 0.18 -1.00 -0.57 4.33 -1.00 -1.50 -0.34 116.94 117.05 2pru h PHE 73 Ca -0.01 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2pru h PHE 73 Cb 1.16 0.42 -0.03 0.00 3.61 0.00 0.00 35.95 41.11 2pru h PHE 73 CO 0.02 -0.47 0.29 1.98 -1.61 0.00 0.00 178.31 178.52 2pru h MET 74 N -0.61 0.80 0.56 1.51 -1.53 -1.43 -2.70 114.93 111.53 2pru h MET 74 Ca 0.02 -0.10 -0.02 0.00 -3.44 0.00 0.00 59.70 56.15 2pru h MET 74 Cb 0.63 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.52 2pru h MET 74 CO -0.19 0.63 -0.34 0.00 0.14 0.00 0.00 176.91 177.15 2pru h ALA 75 N 1.13 -0.87 -0.36 0.39 0.00 -0.57 -1.75 119.26 117.23 2pru h ALA 75 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2pru h ALA 75 Cb 0.08 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2pru h ALA 75 CO -0.03 -1.00 0.12 0.74 0.00 0.00 0.00 179.25 179.08 2pru h PHE 76 N -0.85 0.57 -0.30 0.00 0.04 -1.06 -2.63 116.94 112.70 2pru h PHE 76 Ca -0.07 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.55 2pru h PHE 76 Cb 0.69 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2pru h PHE 76 CO -0.09 0.55 -0.20 -0.24 -0.60 0.00 0.00 178.31 177.72 2pru h VAL 77 N 0.44 1.30 -0.00 -0.55 3.04 -1.49 -2.42 116.25 116.56 2pru h VAL 77 Ca 0.12 -1.33 -0.10 0.00 -1.01 0.00 0.00 66.70 64.38 2pru h VAL 77 Cb 0.24 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 2pru h VAL 77 CO -0.01 0.43 -0.47 0.00 -1.01 0.00 0.00 177.57 176.51 2pru h ALA 78 N 0.74 1.21 0.00 3.17 0.00 -1.30 -1.23 119.26 121.85 2pru h ALA 78 Ca 0.06 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2pru h ALA 78 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2pru h ALA 78 CO 0.05 0.59 -0.63 0.00 0.00 0.00 0.00 179.25 179.26 2pru h MET 79 N 0.01 0.00 0.08 0.00 -0.00 -1.44 0.07 114.93 113.65 2pru h MET 79 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.50 2pru h MET 79 Cb 0.84 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.46 2pru h MET 79 CO 0.06 0.35 -0.82 -0.39 -0.00 0.00 0.00 176.91 176.11 2pru h VAL 80 N 0.00 1.43 0.14 -0.10 -1.51 -1.00 -3.34 116.25 111.86 2pru h VAL 80 Ca -0.03 -2.34 -0.19 0.00 -1.23 0.00 0.00 66.70 62.92 2pru h VAL 80 Cb 1.33 2.85 0.02 0.00 -2.13 0.00 0.00 31.29 33.37 2pru h VAL 80 CO 0.05 0.68 -0.81 0.74 -1.23 0.00 0.00 177.57 177.00 2pru h THR 81 N -0.12 1.51 0.00 7.19 2.02 -1.34 0.62 112.91 122.79 2pru h THR 81 Ca -0.13 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2pru h THR 81 Cb 1.57 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 71.16 2pru h THR 81 CO 0.16 0.71 0.00 0.41 0.37 0.00 0.00 175.52 177.17 2pru n THR 82 N -4.12 0.00 -3.36 3.16 -1.04 -0.10 -3.78 114.28 105.03 2pru n THR 82 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2pru n THR 82 Cb 0.82 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 2pru n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pru n ALA 83 N -1.71 0.00 0.00 2.41 0.00 -0.51 -4.79 120.51 115.91 2pru n ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pru n ALA 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 8.25 -1.26 -5.05 115.22 117.16 2pru n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2pru n HIS 85 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.05 0.00 -2.93 -0.41 4.71 -0.76 -3.60 120.64 117.60 2pru n GLU 86 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.71 2pru n GLU 86 Cb 0.14 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.56 2pru n GLU 86 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2pru s PHE 87 N 0.00 3.30 0.00 -0.32 0.40 -1.26 -1.26 117.98 118.84 2pru s PHE 87 Ca 0.00 -1.76 0.00 0.00 -0.60 0.00 0.00 56.93 54.57 2pru s PHE 87 Cb 0.00 -4.30 0.00 0.00 0.51 0.00 0.00 43.02 39.23 2pru s PHE 87 CO 0.00 -1.45 0.00 0.34 0.70 0.00 0.00 175.22 174.81 2pru n PHE 88 N 6.13 0.00 -0.01 0.36 7.35 -1.24 -4.80 117.46 125.25 2pru n PHE 88 Ca 0.30 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.94 2pru n PHE 88 Cb 0.46 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.25 2pru n PHE 88 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2pru h GLU 89 N 0.00 -0.09 0.00 -4.13 4.57 -1.48 -3.43 114.58 110.01 2pru h GLU 89 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2pru h GLU 89 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2pru h GLU 89 CO 0.00 0.20 -0.58 1.58 -1.18 0.00 0.00 179.01 179.04 2pru n HIS 90 N -4.80 0.00 -0.45 0.92 -0.00 -0.39 -5.02 115.22 105.47 2pru n HIS 90 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2pru n HIS 90 Cb 0.16 -0.29 0.00 0.00 -0.12 0.00 0.00 29.99 29.74 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89