#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 -0.06 -0.22 1.43 4.57 -2.06 -2.18 114.58 116.06 2pru h GLU 2 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 2pru h GLU 2 Cb 0.00 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2pru h GLU 2 CO 0.00 0.55 -0.36 1.25 -1.18 0.00 0.00 179.01 179.28 2pru h LEU 3 N -0.78 0.51 0.02 1.64 7.12 -2.06 -3.08 115.31 118.68 2pru h LEU 3 Ca -0.01 -0.21 0.03 0.00 0.13 0.00 0.00 57.88 57.83 2pru h LEU 3 Cb 0.65 -0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 40.59 2pru h LEU 3 CO 0.01 0.83 -0.36 -0.08 -0.13 0.00 0.00 178.44 178.71 2pru h GLU 4 N 0.41 -0.51 0.00 1.25 4.81 -2.00 -2.05 114.58 116.49 2pru h GLU 4 Ca 0.04 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2pru h GLU 4 Cb 0.82 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 2pru h GLU 4 CO 0.07 -0.34 -0.09 1.57 -0.73 0.00 0.00 179.01 179.49 2pru h LYS 5 N -0.53 0.00 -0.25 1.92 5.09 -1.30 -0.22 116.57 121.28 2pru h LYS 5 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.67 2pru h LYS 5 Cb 0.60 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.93 2pru h LYS 5 CO -0.27 0.09 -0.32 0.00 -2.09 0.00 0.00 179.45 176.86 2pru h ALA 6 N 1.91 0.38 -0.69 0.07 0.00 -1.39 -0.96 119.26 118.58 2pru h ALA 6 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2pru h ALA 6 Cb 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2pru h ALA 6 CO 0.01 0.41 0.28 1.98 0.00 0.00 0.00 179.25 181.94 2pru h MET 7 N 0.37 1.03 -0.54 0.00 1.85 -0.53 -1.06 114.93 116.06 2pru h MET 7 Ca 0.03 -0.18 0.01 0.00 -0.61 0.00 0.00 59.70 58.95 2pru h MET 7 Cb 0.90 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.73 2pru h MET 7 CO 0.08 0.85 0.34 0.28 -0.40 0.00 0.00 176.91 178.05 2pru h VAL 8 N 0.98 1.10 -0.60 -5.77 2.07 -0.98 -1.20 116.25 111.85 2pru h VAL 8 Ca 0.23 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2pru h VAL 8 Cb 0.20 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2pru h VAL 8 CO -0.02 0.13 0.28 0.00 0.02 0.00 0.00 177.57 177.97 2pru h ALA 9 N 1.22 0.78 -0.62 1.67 0.00 -0.77 0.22 119.26 121.75 2pru h ALA 9 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2pru h ALA 9 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 2pru h ALA 9 CO -0.07 0.36 0.39 -0.07 0.00 0.00 0.00 179.25 179.86 2pru h LEU 10 N 0.83 0.66 0.06 0.00 3.38 -0.65 0.11 115.31 119.69 2pru h LEU 10 Ca 0.21 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.93 2pru h LEU 10 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2pru h LEU 10 CO -0.02 0.47 -1.12 0.16 0.09 0.00 0.00 178.44 178.01 2pru h ILE 11 N 0.79 1.61 -0.02 1.22 3.07 -1.01 -2.64 117.51 120.52 2pru h ILE 11 Ca 0.24 -3.26 -0.14 0.00 1.55 0.00 0.00 64.86 63.25 2pru h ILE 11 Cb -0.03 2.88 -0.02 0.00 -0.27 0.00 0.00 36.82 39.39 2pru h ILE 11 CO -0.08 0.94 -0.63 -0.78 -1.05 0.00 0.00 178.15 176.55 2pru h ASP 12 N 0.03 0.11 -0.38 2.16 3.58 -0.35 0.30 116.42 121.87 2pru h ASP 12 Ca -0.07 -0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 2pru h ASP 12 Cb 1.86 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.87 2pru h ASP 12 CO 0.16 0.71 -0.31 0.58 -2.88 0.00 0.00 179.24 177.49 2pru h VAL 13 N 0.07 1.27 -0.07 2.25 2.07 -1.02 -2.68 116.25 118.14 2pru h VAL 13 Ca -0.01 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2pru h VAL 13 Cb 1.12 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2pru h VAL 13 CO 0.09 0.50 0.04 0.15 0.02 0.00 0.00 177.57 178.37 2pru h PHE 14 N 0.77 0.08 -0.87 1.57 3.57 -1.03 -2.86 116.94 118.17 2pru h PHE 14 Ca 0.08 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.81 2pru h PHE 14 Cb 0.89 -0.02 -0.15 0.00 2.79 0.00 0.00 35.95 39.46 2pru h PHE 14 CO 0.06 0.05 0.15 1.25 -2.23 0.00 0.00 178.31 177.59 2pru h HIS 15 N 0.09 0.20 -0.18 0.41 2.76 -0.31 -2.27 115.15 115.85 2pru h HIS 15 Ca 0.03 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2pru h HIS 15 Cb -0.00 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2pru h HIS 15 CO -0.08 -0.26 0.01 1.96 -1.30 0.00 0.00 177.93 178.26 2pru h GLN 16 N 0.15 0.31 0.00 5.26 4.20 -1.24 -3.47 115.11 120.32 2pru h GLN 16 Ca 0.54 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2pru h GLN 16 Cb 1.07 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2pru h GLN 16 CO -0.71 0.50 0.00 2.48 -0.67 0.00 0.00 178.83 180.44 2pru n TYR 17 N -4.74 0.00 0.23 2.96 0.18 -0.86 -4.82 117.16 110.12 2pru n TYR 17 Ca -0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.73 2pru n TYR 17 Cb 0.21 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.17 2pru n TYR 17 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 2pru n SER 18 N 0.97 -3.94 -4.62 9.48 7.64 -1.26 -5.10 113.62 116.79 2pru n SER 18 Ca 0.00 0.89 -0.42 0.00 1.01 0.00 0.00 58.87 60.35 2pru n SER 18 Cb 0.00 3.67 -0.04 0.00 -1.01 0.00 0.00 64.21 66.83 2pru n SER 18 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2pru s GLY 19 N -2.31 1.65 0.60 0.23 0.00 -1.26 -4.91 107.32 101.31 2pru s GLY 19 Ca 0.00 -0.33 0.37 0.00 0.00 0.00 0.00 44.72 44.76 2pru s GLY 19 CO 0.00 1.93 2.21 0.07 0.00 0.00 0.00 173.10 177.31 2pru h ARG 20 N 8.16 0.00 0.00 2.90 -0.00 -1.95 -1.08 114.38 122.41 2pru h ARG 20 Ca -0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.60 2pru h ARG 20 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.03 2pru h ARG 20 CO 0.94 0.03 -1.45 -1.91 -0.00 0.00 0.00 179.97 177.57 2pru n GLU 21 N -3.27 0.50 0.06 0.08 2.13 -1.26 -4.42 120.64 114.47 2pru n GLU 21 Ca -0.02 0.21 -0.11 0.00 0.66 0.00 0.00 57.16 57.90 2pru n GLU 21 Cb 0.16 -1.37 -0.08 0.00 0.27 0.00 0.00 31.44 30.43 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2pru h GLY 22 N -0.91 -0.23 2.00 8.31 0.00 -1.92 -3.02 103.07 107.30 2pru h GLY 22 Ca -0.23 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2pru h GLY 22 CO -0.14 -0.08 0.00 -0.55 0.00 0.00 0.00 176.54 175.77 2pru h ASP 23 N -0.82 0.00 -0.21 0.19 3.32 -1.35 -2.78 116.42 114.76 2pru h ASP 23 Ca -0.02 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 2pru h ASP 23 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2pru h ASP 23 CO 0.04 0.00 -0.50 0.50 -1.72 0.00 0.00 179.24 177.56 2pru h LYS 24 N 0.00 0.72 0.48 3.56 3.11 -1.42 -3.32 116.57 119.70 2pru h LYS 24 Ca 0.00 -0.48 -0.02 0.00 -2.81 0.00 0.00 60.65 57.33 2pru h LYS 24 Cb 0.82 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 2pru h LYS 24 CO 0.00 1.11 -0.23 1.25 -2.81 0.00 0.00 179.45 178.76 2pru h HIS 25 N 0.43 -0.60 -3.61 1.91 2.76 -1.36 -3.45 115.15 111.23 2pru h HIS 25 Ca -0.00 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.03 2pru h HIS 25 Cb 1.11 0.20 -0.18 0.00 1.55 0.00 0.00 27.41 30.09 2pru h HIS 25 CO 0.09 -0.29 -0.46 0.15 -1.30 0.00 0.00 177.93 176.12 2pru s LYS 26 N -5.09 0.61 0.12 5.26 1.02 -1.13 -5.06 119.74 115.47 2pru s LYS 26 Ca -0.15 -0.60 -0.13 0.00 0.02 0.00 0.00 55.97 55.11 2pru s LYS 26 Cb 0.02 0.25 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 2pru s LYS 26 CO 0.54 -0.16 1.43 1.25 -0.92 0.00 0.00 175.35 177.49 2pru h LEU 27 N 3.73 0.89 -0.36 3.17 7.12 -1.72 -3.33 115.31 124.81 2pru h LEU 27 Ca -0.32 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.21 2pru h LEU 27 Cb 1.19 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2pru h LEU 27 CO 0.47 1.19 -0.30 0.29 -0.13 0.00 0.00 178.44 179.96 2pru n LYS 28 N -4.14 -1.60 -0.14 1.25 4.01 -0.21 -4.35 118.16 112.97 2pru n LYS 28 Ca -0.03 1.17 -0.02 0.00 -0.51 0.00 0.00 58.31 58.92 2pru n LYS 28 Cb 0.53 -1.30 0.21 0.00 -0.51 0.00 0.00 35.03 33.96 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 0.79 0.85 -0.53 1.97 6.56 -1.81 -1.51 116.57 122.89 2pru h LYS 29 Ca 0.00 -0.14 0.02 0.00 -1.06 0.00 0.00 60.65 59.47 2pru h LYS 29 Cb 0.00 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.48 2pru h LYS 29 CO 0.00 0.71 0.35 0.77 -2.06 0.00 0.00 179.45 179.22 2pru h SER 30 N 0.84 0.57 1.28 0.86 0.02 -1.88 -0.93 113.55 114.32 2pru h SER 30 Ca 0.20 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 2pru h SER 30 Cb 0.18 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2pru h SER 30 CO -0.02 0.40 -0.74 -0.33 -1.14 0.00 0.00 176.83 175.00 2pru h GLU 31 N 0.67 0.00 0.00 3.45 4.39 -1.60 -3.15 114.58 118.33 2pru h GLU 31 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2pru h GLU 31 Cb 0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2pru h GLU 31 CO -0.05 0.16 -0.11 1.25 -1.16 0.00 0.00 179.01 179.10 2pru h LEU 32 N 0.00 0.00 -0.51 1.33 7.12 -0.17 0.32 115.31 123.40 2pru h LEU 32 Ca -0.04 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.04 2pru h LEU 32 Cb 1.20 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.28 2pru h LEU 32 CO 0.02 0.11 0.21 0.50 -0.13 0.00 0.00 178.44 179.15 2pru h LYS 33 N 0.00 0.40 0.00 1.25 3.11 -1.44 0.21 116.57 120.09 2pru h LYS 33 Ca -0.00 -0.02 -0.18 0.00 -2.81 0.00 0.00 60.65 57.64 2pru h LYS 33 Cb 0.20 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 2pru h LYS 33 CO 0.01 0.26 -0.82 0.93 -2.81 0.00 0.00 179.45 177.02 2pru h GLU 34 N 0.41 0.05 0.11 1.90 5.08 -1.35 -0.66 114.58 120.12 2pru h GLU 34 Ca 0.24 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2pru h GLU 34 Cb 0.23 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2pru h GLU 34 CO -0.22 0.84 -0.08 1.25 -1.00 0.00 0.00 179.01 179.80 2pru h LEU 35 N 0.03 -0.20 -0.45 1.33 7.12 -0.26 -2.23 115.31 120.66 2pru h LEU 35 Ca -0.02 0.02 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 2pru h LEU 35 Cb 1.45 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.63 2pru h LEU 35 CO 0.11 -0.13 -0.20 0.16 -0.13 0.00 0.00 178.44 178.25 2pru h ILE 36 N -0.19 1.27 -0.97 4.05 3.07 -0.60 0.73 117.51 124.86 2pru h ILE 36 Ca -0.00 -1.36 0.21 0.00 1.55 0.00 0.00 64.86 65.26 2pru h ILE 36 Cb 0.17 1.20 -0.09 0.00 -0.27 0.00 0.00 36.82 37.83 2pru h ILE 36 CO -0.01 0.46 0.62 -1.13 -1.05 0.00 0.00 178.15 177.05 2pru h ASN 37 N 0.76 0.57 0.00 2.16 -0.73 -0.91 -0.40 115.58 117.03 2pru h ASN 37 Ca 0.10 0.07 -0.38 0.00 1.87 0.00 0.00 56.30 57.96 2pru h ASN 37 Cb 0.77 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 39.27 2pru h ASN 37 CO 0.06 0.20 -2.32 0.59 -0.37 0.00 0.00 177.43 175.59 2pru n ASN 38 N -4.63 1.89 0.04 1.15 3.02 -0.86 -4.64 115.26 111.23 2pru n ASN 38 Ca 0.22 0.14 0.11 0.00 -0.03 0.00 0.00 54.58 55.03 2pru n ASN 38 Cb 0.68 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2pru n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pru n GLU 39 N -3.75 0.35 -0.02 3.52 4.71 0.24 -4.44 120.64 121.25 2pru n GLU 39 Ca -0.45 0.01 -0.00 0.00 -0.01 0.00 0.00 57.16 56.72 2pru n GLU 39 Cb 0.87 -1.63 -0.00 0.00 -1.01 0.00 0.00 31.44 29.67 2pru n GLU 39 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2pru h LEU 40 N 0.00 -0.01 -7.00 -4.62 6.46 -1.13 -3.49 115.31 105.52 2pru h LEU 40 Ca 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2pru h LEU 40 Cb 0.78 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 40.49 2pru h LEU 40 CO 0.00 0.24 0.38 -0.44 -0.62 0.00 0.00 178.44 177.99 2pru s SER 41 N -4.24 -0.51 -0.15 1.25 0.01 -1.22 -5.07 113.70 103.77 2pru s SER 41 Ca -0.00 0.71 -0.15 0.00 1.31 0.00 0.00 55.95 57.82 2pru s SER 41 Cb 0.00 0.62 -0.06 0.00 0.21 0.00 0.00 66.02 66.79 2pru s SER 41 CO 0.00 -0.37 -0.30 1.41 0.41 0.00 0.00 173.24 174.40 2pru n HIS 42 N 1.30 0.00 -2.63 2.43 8.25 -1.26 -4.71 115.22 118.60 2pru n HIS 42 Ca -0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.09 2pru n HIS 42 Cb 0.57 -0.49 -0.00 0.00 1.12 0.00 0.00 29.99 31.19 2pru n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pru n PHE 43 N -4.26 2.98 -1.46 4.41 3.72 -1.26 -4.63 117.46 116.95 2pru n PHE 43 Ca -0.17 -3.26 -0.06 0.00 -0.05 0.00 0.00 57.45 53.91 2pru n PHE 43 Cb 0.50 -0.23 0.20 0.00 -0.94 0.00 0.00 39.48 39.01 2pru n PHE 43 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2pru n LEU 44 N -0.32 4.26 -1.17 4.37 7.99 -1.26 -4.73 117.00 126.12 2pru n LEU 44 Ca 0.32 -3.80 -0.03 0.00 -0.01 0.00 0.00 56.01 52.48 2pru n LEU 44 Cb 0.64 -0.65 0.08 0.00 -0.11 0.00 0.00 43.42 43.38 2pru n LEU 44 CO 0.32 1.28 0.61 -0.62 -1.51 0.00 0.00 177.39 177.46 2pru n GLU 45 N -1.13 1.67 -0.09 3.23 1.02 -1.26 -3.17 120.64 120.90 2pru n GLU 45 Ca 0.35 -0.88 0.04 0.00 -0.02 0.00 0.00 57.16 56.64 2pru n GLU 45 Cb 1.07 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 31.08 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 0.09 2.42 0.00 3.49 -0.58 -1.26 -4.87 120.64 119.94 2pru n GLU 46 Ca 0.13 -1.70 0.00 0.00 -0.42 0.00 0.00 57.16 55.18 2pru n GLU 46 Cb 0.71 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.41 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2pru n ILE 47 N 0.20 0.00 -1.93 -3.67 5.41 -1.19 -5.00 119.36 113.17 2pru n ILE 47 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2pru n ILE 47 Cb 0.33 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 2pru n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2pru n LYS 48 N -0.69 0.00 0.01 0.38 3.00 -1.26 -4.94 118.16 114.67 2pru n LYS 48 Ca 0.00 -0.24 0.11 0.00 -0.00 0.00 0.00 58.31 58.18 2pru n LYS 48 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 35.03 34.91 2pru n LYS 48 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2pru n GLU 49 N 0.00 0.19 -0.35 1.64 -0.00 -1.19 -4.38 120.64 116.55 2pru n GLU 49 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 57.16 57.21 2pru n GLU 49 Cb 0.54 -1.55 0.24 0.00 -0.00 0.00 0.00 31.44 30.67 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2pru h GLN 50 N 0.00 0.98 0.16 3.44 3.07 -1.89 0.28 115.11 121.14 2pru h GLN 50 Ca 0.00 -0.06 -0.26 0.00 0.09 0.00 0.00 58.65 58.42 2pru h GLN 50 Cb 0.65 -0.22 0.01 0.00 0.08 0.00 0.00 27.48 28.00 2pru h GLN 50 CO 0.00 0.65 -1.25 0.93 0.09 0.00 0.00 178.83 179.24 2pru h GLU 51 N 1.00 0.33 0.00 0.06 5.08 -1.94 -3.38 114.58 115.73 2pru h GLU 51 Ca 0.47 -0.57 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2pru h GLU 51 Cb 0.42 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2pru h GLU 51 CO -0.23 1.27 -0.43 0.28 -1.00 0.00 0.00 179.01 178.90 2pru h VAL 52 N -0.21 0.86 -0.63 3.13 2.07 -1.56 -2.52 116.25 117.40 2pru h VAL 52 Ca -0.24 -1.84 -0.09 0.00 0.82 0.00 0.00 66.70 65.35 2pru h VAL 52 Cb 1.83 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 33.73 2pru h VAL 52 CO 0.14 0.42 0.03 0.58 0.02 0.00 0.00 177.57 178.76 2pru h VAL 53 N 0.00 1.27 -0.29 2.57 2.07 -0.66 0.43 116.25 121.63 2pru h VAL 53 Ca -0.00 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.28 2pru h VAL 53 Cb 1.12 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2pru h VAL 53 CO 0.06 0.41 -0.26 -0.78 0.02 0.00 0.00 177.57 177.02 2pru h ASP 54 N 0.99 0.59 -0.30 0.57 3.58 -1.68 -1.49 116.42 118.69 2pru h ASP 54 Ca 0.18 -0.21 -0.11 0.00 0.42 0.00 0.00 57.03 57.31 2pru h ASP 54 Cb 0.53 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2pru h ASP 54 CO 0.03 0.84 -0.19 0.11 -2.88 0.00 0.00 179.24 177.14 2pru h LYS 55 N 0.51 0.77 -0.33 0.28 6.56 -0.98 0.87 116.57 124.25 2pru h LYS 55 Ca 0.07 -0.30 -0.11 0.00 -1.06 0.00 0.00 60.65 59.25 2pru h LYS 55 Cb 0.72 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.33 2pru h LYS 55 CO 0.06 0.90 -0.25 -0.24 -2.06 0.00 0.00 179.45 177.86 2pru h VAL 56 N 0.68 1.27 -0.33 0.50 3.04 0.07 0.17 116.25 121.65 2pru h VAL 56 Ca 0.10 -1.33 -0.14 0.00 -1.01 0.00 0.00 66.70 64.32 2pru h VAL 56 Cb 0.69 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 2pru h VAL 56 CO 0.05 0.43 -0.35 0.24 -1.01 0.00 0.00 177.57 176.94 2pru h MET 57 N 0.57 0.74 0.28 4.17 2.86 -0.93 1.00 114.93 123.62 2pru h MET 57 Ca 0.08 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 2pru h MET 57 Cb 0.72 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2pru h MET 57 CO 0.06 0.98 -0.14 1.49 1.06 0.00 0.00 176.91 180.36 2pru h GLU 58 N 0.62 -0.36 -0.84 1.72 4.57 -0.55 -2.90 114.58 116.83 2pru h GLU 58 Ca 0.06 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2pru h GLU 58 Cb 0.88 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.52 2pru h GLU 58 CO 0.08 -0.05 0.40 1.79 -1.18 0.00 0.00 179.01 180.05 2pru h THR 59 N -0.70 1.26 -0.69 0.32 1.35 -0.62 0.17 112.91 113.99 2pru h THR 59 Ca -0.04 -0.73 0.14 0.00 -0.55 0.00 0.00 66.41 65.23 2pru h THR 59 Cb 0.48 0.18 -0.13 0.00 -1.73 0.00 0.00 68.15 66.95 2pru h THR 59 CO 0.06 0.31 -0.12 0.25 -0.25 0.00 0.00 175.52 175.78 2pru h LEU 60 N 1.20 -0.54 0.10 3.87 5.85 -0.81 0.22 115.31 125.21 2pru h LEU 60 Ca 0.29 0.20 -0.20 0.00 0.84 0.00 0.00 57.88 59.01 2pru h LEU 60 Cb 0.12 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2pru h LEU 60 CO -0.04 -0.21 -0.98 -0.78 -0.34 0.00 0.00 178.44 176.10 2pru h ASP 61 N 0.03 0.33 0.50 1.25 3.58 -1.24 -3.39 116.42 117.48 2pru h ASP 61 Ca 0.35 -0.88 -0.22 0.00 0.42 0.00 0.00 57.03 56.70 2pru h ASP 61 Cb 0.56 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2pru h ASP 61 CO -0.68 1.44 -0.95 -1.13 -2.88 0.00 0.00 179.24 175.04 2pru h ASN 62 N -0.48 0.38 0.46 2.28 -0.73 -0.36 -3.38 115.58 113.75 2pru h ASN 62 Ca -0.20 -0.32 -0.02 0.00 1.87 0.00 0.00 56.30 57.62 2pru h ASN 62 Cb 1.57 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 40.05 2pru h ASN 62 CO 0.06 1.14 -0.22 -0.78 -0.37 0.00 0.00 177.43 177.26 2pru h ASP 63 N 0.15 -0.52 0.00 1.15 1.82 -0.76 -3.49 116.42 114.76 2pru h ASP 63 Ca -0.07 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 2pru h ASP 63 Cb 1.59 0.14 0.00 0.00 0.68 0.00 0.00 39.33 41.74 2pru h ASP 63 CO 0.15 -0.28 0.00 0.61 -1.61 0.00 0.00 179.24 178.12 2pru n GLY 64 N -0.98 -0.79 3.62 -0.78 0.00 -1.26 -5.13 105.19 99.86 2pru n GLY 64 Ca -0.11 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.10 -2.53 1.61 2.03 -1.26 -4.90 116.55 111.60 2pru n ASP 65 Ca 0.00 0.50 -0.32 0.00 0.52 0.00 0.00 54.79 55.49 2pru n ASP 65 Cb 0.00 -1.42 0.01 0.00 -0.72 0.00 0.00 41.12 38.99 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 0.73 5.00 3.61 0.27 0.00 -1.26 -4.64 105.19 108.90 2pru n GLY 66 Ca 0.12 -2.06 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 2pru n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pru s GLU 67 N -2.93 2.24 -0.12 1.61 -1.05 -1.26 -1.05 118.70 116.13 2pru s GLU 67 Ca 0.54 -1.07 -0.01 0.00 -0.15 0.00 0.00 54.97 54.28 2pru s GLU 67 Cb 0.41 -2.32 0.03 0.00 -0.44 0.00 0.00 34.13 31.81 2pru s GLU 67 CO -0.23 0.48 -0.06 0.00 0.95 0.00 0.00 175.26 176.41 2pru s ASP 69 N 1.73 6.30 0.49 0.00 2.15 -1.26 -4.73 116.67 121.35 2pru s ASP 69 Ca 0.04 0.18 0.18 0.00 0.43 0.00 0.00 52.55 53.38 2pru s ASP 69 Cb -0.13 -1.90 1.21 0.00 -0.30 0.00 0.00 42.92 41.80 2pru s ASP 69 CO -0.08 -0.15 2.04 2.19 -0.17 0.00 0.00 175.17 179.00 2pru h PHE 70 N 1.03 0.18 -0.41 -5.34 -5.15 -1.99 0.74 116.94 106.00 2pru h PHE 70 Ca -0.51 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.18 2pru h PHE 70 Cb 1.23 -0.06 -0.02 0.00 0.22 0.00 0.00 35.95 37.32 2pru h PHE 70 CO 0.47 0.09 -0.10 1.96 -2.00 0.00 0.00 178.31 178.73 2pru h GLN 71 N 0.17 0.71 -0.16 6.09 4.20 -2.00 -2.04 115.11 122.08 2pru h GLN 71 Ca 0.18 -0.22 -0.21 0.00 0.06 0.00 0.00 58.65 58.46 2pru h GLN 71 Cb 0.51 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.23 2pru h GLN 71 CO -0.03 0.79 -0.74 0.93 -0.67 0.00 0.00 178.83 179.11 2pru h GLU 72 N 0.65 0.75 0.11 1.46 5.08 -1.27 -1.50 114.58 119.86 2pru h GLU 72 Ca 0.12 -0.59 0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2pru h GLU 72 Cb 0.54 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 2pru h GLU 72 CO 0.03 1.21 -0.49 0.74 -1.00 0.00 0.00 179.01 179.50 2pru h PHE 73 N 0.52 -1.41 -0.67 4.33 -1.00 -1.07 0.12 116.94 117.77 2pru h PHE 73 Ca -0.04 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.81 2pru h PHE 73 Cb 1.36 0.60 -0.04 0.00 3.61 0.00 0.00 35.95 41.48 2pru h PHE 73 CO 0.08 -0.57 0.41 1.98 -1.61 0.00 0.00 178.31 178.60 2pru h MET 74 N -0.71 0.79 0.19 1.51 1.85 -1.39 -1.83 114.93 115.33 2pru h MET 74 Ca 0.01 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 2pru h MET 74 Cb 0.73 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.58 2pru h MET 74 CO -0.28 0.52 -0.14 0.00 -0.40 0.00 0.00 176.91 176.61 2pru h ALA 75 N 1.29 -0.31 0.56 0.39 0.00 -0.81 -1.96 119.26 118.42 2pru h ALA 75 Ca 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2pru h ALA 75 Cb 0.02 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2pru h ALA 75 CO -0.11 -0.69 -0.27 0.74 0.00 0.00 0.00 179.25 178.93 2pru h PHE 76 N -0.33 -0.70 -0.39 0.00 0.04 -0.60 -1.90 116.94 113.07 2pru h PHE 76 Ca -0.01 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.76 2pru h PHE 76 Cb 0.29 0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 2pru h PHE 76 CO -0.11 -0.41 0.24 -0.24 -0.60 0.00 0.00 178.31 177.19 2pru h VAL 77 N -0.80 1.06 0.00 -0.55 3.04 -1.31 0.21 116.25 117.90 2pru h VAL 77 Ca -0.08 -0.17 -0.13 0.00 -1.01 0.00 0.00 66.70 65.32 2pru h VAL 77 Cb 0.60 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 2pru h VAL 77 CO 0.13 0.09 -0.60 0.00 -1.01 0.00 0.00 177.57 176.17 2pru h ALA 78 N 1.17 0.70 0.04 3.17 0.00 -1.41 -1.96 119.26 120.97 2pru h ALA 78 Ca 0.15 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.27 2pru h ALA 78 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2pru h ALA 78 CO -0.06 0.76 -1.13 0.00 0.00 0.00 0.00 179.25 178.81 2pru h MET 79 N 0.00 0.09 -0.21 0.00 -0.00 -1.01 0.41 114.93 114.21 2pru h MET 79 Ca -0.01 -0.16 -0.21 0.00 -0.00 0.00 0.00 59.70 59.33 2pru h MET 79 Cb 1.33 0.06 0.01 0.00 -0.00 0.00 0.00 31.60 33.00 2pru h MET 79 CO 0.08 1.04 -0.68 -0.39 -0.00 0.00 0.00 176.91 176.97 2pru h VAL 80 N 0.02 1.28 0.00 -0.10 -1.51 -0.89 -2.95 116.25 112.10 2pru h VAL 80 Ca -0.07 -1.87 -0.09 0.00 -1.23 0.00 0.00 66.70 63.44 2pru h VAL 80 Cb 1.85 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 32.82 2pru h VAL 80 CO 0.15 0.60 -0.72 0.74 -1.23 0.00 0.00 177.57 177.11 2pru h THR 81 N 0.60 0.54 0.00 7.19 2.02 -1.45 -3.14 112.91 118.66 2pru h THR 81 Ca -0.02 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.33 2pru h THR 81 Cb 1.30 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 2pru h THR 81 CO 0.14 0.31 0.00 0.41 0.37 0.00 0.00 175.52 176.75 2pru n THR 82 N -3.05 0.00 -3.02 3.16 -1.04 -0.59 -4.04 114.28 105.69 2pru n THR 82 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2pru n THR 82 Cb 0.71 -0.32 0.06 0.00 -1.82 0.00 0.00 70.33 68.95 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 -3.18 -2.25 -1.00 2.41 0.00 0.14 -4.47 120.51 112.16 2pru n ALA 83 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2pru n ALA 83 Cb 0.00 -4.98 0.00 0.00 0.00 0.00 0.00 19.45 14.47 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 0.36 0.00 8.25 -1.26 -2.30 115.22 120.27 2pru n HIS 85 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 2pru n HIS 85 Cb 0.00 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.20 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 0.00 1.84 -1.61 -0.41 1.02 -1.26 -4.65 120.64 115.58 2pru n GLU 86 Ca 0.00 -0.96 -0.42 0.00 -0.02 0.00 0.00 57.16 55.76 2pru n GLU 86 Cb 0.00 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 2pru n GLU 86 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2pru n PHE 87 N 0.10 2.98 0.00 -0.32 3.72 -0.97 -2.00 117.46 120.97 2pru n PHE 87 Ca 0.13 -2.46 0.00 0.00 -0.05 0.00 0.00 57.45 55.07 2pru n PHE 87 Cb 0.69 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.97 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 7.23 0.00 -0.03 1.38 1.16 -1.26 -4.75 117.46 121.19 2pru n PHE 88 Ca 0.51 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 56.08 2pru n PHE 88 Cb 0.40 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.27 2pru n PHE 88 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2pru h GLU 89 N 0.00 0.00 0.00 3.97 4.81 -1.78 -3.40 114.58 118.18 2pru h GLU 89 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2pru h GLU 89 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2pru h GLU 89 CO 0.00 0.00 -0.33 1.25 -0.73 0.00 0.00 179.01 179.20 2pru h HIS 90 N -0.47 0.00 0.00 0.92 2.76 -1.94 -3.54 115.15 112.88 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 0.09 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2pru h HIS 90 CO -0.04 1.13 0.00 -0.85 -1.30 0.00 0.00 177.93 176.87