#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 0.92 0.01 1.43 4.57 -2.05 -0.40 114.58 119.06 2pru h GLU 2 Ca 0.00 -0.27 -0.26 0.00 -1.18 0.00 0.00 59.36 57.66 2pru h GLU 2 Cb 0.00 -0.10 0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2pru h GLU 2 CO 0.00 0.91 -1.03 1.25 -1.18 0.00 0.00 179.01 178.96 2pru h LEU 3 N 0.85 0.79 -1.28 1.64 7.12 -2.05 -1.70 115.31 120.67 2pru h LEU 3 Ca 0.16 -0.64 -0.00 0.00 0.13 0.00 0.00 57.88 57.53 2pru h LEU 3 Cb 0.51 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.36 2pru h LEU 3 CO 0.02 1.44 0.41 -0.08 -0.13 0.00 0.00 178.44 180.10 2pru h GLU 4 N 0.33 0.90 0.23 1.25 4.81 -1.92 0.18 114.58 120.36 2pru h GLU 4 Ca -0.12 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2pru h GLU 4 Cb 1.67 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2pru h GLU 4 CO 0.19 0.62 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.77 2pru h LYS 5 N 0.92 -0.30 -0.93 1.92 3.64 -0.99 -3.23 116.57 117.61 2pru h LYS 5 Ca 0.24 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2pru h LYS 5 Cb -0.05 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2pru h LYS 5 CO -0.05 -0.02 0.53 0.00 -2.27 0.00 0.00 179.45 177.65 2pru h ALA 6 N 0.14 1.19 -0.53 5.00 0.00 -0.70 -2.77 119.26 121.59 2pru h ALA 6 Ca -0.03 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2pru h ALA 6 Cb 0.41 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2pru h ALA 6 CO 0.05 0.67 0.25 1.98 0.00 0.00 0.00 179.25 182.20 2pru h MET 7 N 1.29 0.47 -0.35 0.00 1.85 -0.72 -1.13 114.93 116.34 2pru h MET 7 Ca 0.33 -0.03 -0.05 0.00 -0.61 0.00 0.00 59.70 59.34 2pru h MET 7 Cb -0.01 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 2pru h MET 7 CO -0.06 0.31 -0.01 0.28 -0.40 0.00 0.00 176.91 177.04 2pru h VAL 8 N 0.49 1.20 0.22 -5.77 2.07 -1.51 -2.98 116.25 109.97 2pru h VAL 8 Ca 0.24 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 2pru h VAL 8 Cb 0.18 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2pru h VAL 8 CO -0.18 0.28 -0.11 0.00 0.02 0.00 0.00 177.57 177.58 2pru h ALA 9 N 1.47 -0.30 -0.45 1.67 0.00 -0.98 0.67 119.26 121.35 2pru h ALA 9 Ca 0.11 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2pru h ALA 9 Cb 0.35 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2pru h ALA 9 CO 0.01 -0.57 -0.07 -0.07 0.00 0.00 0.00 179.25 178.56 2pru h LEU 10 N -0.50 -0.33 -0.01 0.00 -0.00 -1.26 0.13 115.31 113.34 2pru h LEU 10 Ca -0.03 0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 57.93 2pru h LEU 10 Cb 0.37 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2pru h LEU 10 CO 0.05 -0.11 -0.15 0.16 -0.00 0.00 0.00 178.44 178.38 2pru h ILE 11 N 0.04 1.53 -0.00 1.22 3.07 -1.50 -3.26 117.51 118.61 2pru h ILE 11 Ca 0.22 -1.77 -0.13 0.00 1.55 0.00 0.00 64.86 64.72 2pru h ILE 11 Cb 0.33 2.65 -0.02 0.00 -0.27 0.00 0.00 36.82 39.51 2pru h ILE 11 CO -0.43 0.48 -0.64 -0.78 -1.05 0.00 0.00 178.15 175.74 2pru h ASP 12 N -0.52 0.01 -0.60 2.16 3.58 -0.71 -2.12 116.42 118.22 2pru h ASP 12 Ca -0.01 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.36 2pru h ASP 12 Cb 0.86 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 2pru h ASP 12 CO 0.03 0.65 0.13 0.58 -2.88 0.00 0.00 179.24 177.75 2pru h VAL 13 N 0.01 1.25 0.00 2.25 2.07 -0.86 0.92 116.25 121.89 2pru h VAL 13 Ca -0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2pru h VAL 13 Cb 1.13 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2pru h VAL 13 CO 0.08 0.35 -0.11 0.33 0.02 0.00 0.00 177.57 178.24 2pru n PHE 14 N -4.34 0.47 -0.11 1.57 7.35 -1.14 -1.91 117.46 119.35 2pru n PHE 14 Ca 0.03 0.14 -0.13 0.00 -0.76 0.00 0.00 57.45 56.73 2pru n PHE 14 Cb 0.25 -0.69 -0.03 0.00 0.35 0.00 0.00 39.48 39.36 2pru n PHE 14 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2pru h HIS 15 N 0.00 0.92 0.00 -5.13 -0.00 -0.77 -2.78 115.15 107.38 2pru h HIS 15 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 2pru h HIS 15 Cb 0.63 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2pru h HIS 15 CO 0.00 1.02 0.00 1.04 -0.00 0.00 0.00 177.93 179.99 2pru n GLN 16 N -4.23 0.35 0.21 5.26 6.02 0.26 -3.48 117.38 121.77 2pru n GLN 16 Ca -0.03 0.08 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 2pru n GLN 16 Cb 0.46 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.14 2pru n GLN 16 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2pru h TYR 17 N 0.00 -1.25 -6.59 1.08 3.20 -1.15 -3.48 116.97 108.78 2pru h TYR 17 Ca 0.00 0.02 -0.41 0.00 3.14 0.00 0.00 58.73 61.48 2pru h TYR 17 Cb 0.08 0.50 0.01 0.00 1.54 0.00 0.00 36.73 38.87 2pru h TYR 17 CO 0.00 -0.58 -1.18 -1.13 -1.64 0.00 0.00 178.16 173.63 2pru n SER 18 N -5.51 -5.37 -4.46 -2.11 3.41 -1.23 -4.97 113.62 93.39 2pru n SER 18 Ca -0.10 -0.35 -0.33 0.00 -0.26 0.00 0.00 58.87 57.83 2pru n SER 18 Cb 0.41 -1.71 -0.13 0.00 -0.26 0.00 0.00 64.21 62.52 2pru n SER 18 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2pru s GLY 19 N -1.86 1.54 0.61 5.00 0.00 -1.26 -4.93 107.32 106.41 2pru s GLY 19 Ca 0.29 -0.96 0.35 0.00 0.00 0.00 0.00 44.72 44.40 2pru s GLY 19 CO 0.88 -0.66 2.27 0.07 0.00 0.00 0.00 173.10 175.65 2pru h ARG 20 N 5.58 0.00 0.00 2.90 -0.00 -1.96 -0.15 114.38 120.75 2pru h ARG 20 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.55 2pru h ARG 20 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2pru h ARG 20 CO 0.51 0.02 -0.55 0.39 -0.00 0.00 0.00 179.97 180.34 2pru n GLU 21 N -3.53 0.32 0.28 0.08 1.02 -1.26 -4.44 120.64 113.11 2pru n GLU 21 Ca -0.03 0.19 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 2pru n GLU 21 Cb 0.11 -1.13 -0.08 0.00 -0.02 0.00 0.00 31.44 30.31 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 -0.62 -0.71 2.00 0.62 0.00 -1.75 -1.88 103.07 100.73 2pru h GLY 22 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2pru h GLY 22 CO 0.00 -0.26 0.00 -1.80 0.00 0.00 0.00 176.54 174.48 2pru h ASP 23 N -0.75 0.00 -0.02 0.19 3.58 -1.22 0.76 116.42 118.96 2pru h ASP 23 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2pru h ASP 23 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2pru h ASP 23 CO 0.11 0.00 -0.10 0.29 -2.88 0.00 0.00 179.24 176.66 2pru n LYS 24 N -2.46 1.98 0.00 0.28 4.76 -1.06 -4.78 118.16 116.88 2pru n LYS 24 Ca 0.01 -1.58 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 2pru n LYS 24 Cb 0.20 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2pru n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2pru n HIS 25 N 0.87 0.00 -3.73 2.13 8.25 0.12 -5.03 115.22 117.83 2pru n HIS 25 Ca 0.14 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.46 2pru n HIS 25 Cb 0.54 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 2pru n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2pru s LYS 26 N 0.00 0.71 0.38 -0.41 -0.14 -0.35 -5.06 119.74 114.86 2pru s LYS 26 Ca 0.00 -0.08 0.11 0.00 -1.36 0.00 0.00 55.97 54.63 2pru s LYS 26 Cb 0.00 0.32 0.88 0.00 -1.68 0.00 0.00 37.83 37.35 2pru s LYS 26 CO 0.00 -0.19 1.89 -0.07 -0.76 0.00 0.00 175.35 176.22 2pru h LEU 27 N 3.86 0.58 -1.56 3.17 -0.00 -1.82 -3.39 115.31 116.15 2pru h LEU 27 Ca -0.29 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2pru h LEU 27 Cb 1.17 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2pru h LEU 27 CO 0.39 0.30 -0.80 0.29 -0.00 0.00 0.00 178.44 178.62 2pru n LYS 28 N -4.53 -4.51 0.26 1.13 4.76 -1.26 -4.53 118.16 109.48 2pru n LYS 28 Ca 0.16 3.31 0.17 0.00 -2.87 0.00 0.00 58.31 59.08 2pru n LYS 28 Cb 0.46 -3.71 0.74 0.00 -1.84 0.00 0.00 35.03 30.69 2pru n LYS 28 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2pru h LYS 29 N 3.55 0.00 0.00 1.97 -0.00 -1.83 -0.09 116.57 120.17 2pru h LYS 29 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.64 2pru h LYS 29 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2pru h LYS 29 CO 0.00 0.00 -0.05 0.77 -0.00 0.00 0.00 179.45 180.17 2pru h SER 30 N 0.00 0.00 1.26 7.07 0.02 -1.87 -0.12 113.55 119.92 2pru h SER 30 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2pru h SER 30 Cb 0.39 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2pru h SER 30 CO 0.00 0.05 -0.77 -0.33 -1.14 0.00 0.00 176.83 174.64 2pru h GLU 31 N 0.00 0.00 0.00 3.45 4.39 -1.24 -3.22 114.58 117.96 2pru h GLU 31 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pru h GLU 31 Cb 0.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2pru h GLU 31 CO 0.01 0.19 -0.02 1.25 -1.16 0.00 0.00 179.01 179.28 2pru h LEU 32 N 0.00 0.00 -0.19 1.33 7.12 -0.94 -2.06 115.31 120.57 2pru h LEU 32 Ca -0.04 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.02 2pru h LEU 32 Cb 1.24 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.31 2pru h LEU 32 CO 0.03 0.02 -0.17 0.50 -0.13 0.00 0.00 178.44 178.68 2pru h LYS 33 N 0.00 -0.18 0.00 1.25 3.11 -1.55 0.49 116.57 119.70 2pru h LYS 33 Ca -0.00 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 2pru h LYS 33 Cb 0.18 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.44 2pru h LYS 33 CO 0.00 -0.12 -0.11 0.93 -2.81 0.00 0.00 179.45 177.35 2pru h GLU 34 N -0.19 0.00 0.05 1.90 5.08 -1.60 -1.07 114.58 118.74 2pru h GLU 34 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2pru h GLU 34 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2pru h GLU 34 CO -0.30 0.11 -0.02 1.25 -1.00 0.00 0.00 179.01 179.04 2pru h LEU 35 N 0.00 -0.05 -1.22 1.33 7.12 -1.20 -3.03 115.31 118.26 2pru h LEU 35 Ca -0.00 -0.54 -0.06 0.00 0.13 0.00 0.00 57.88 57.40 2pru h LEU 35 Cb 0.45 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2pru h LEU 35 CO 0.01 0.54 -0.14 0.16 -0.13 0.00 0.00 178.44 178.88 2pru h ILE 36 N -0.67 1.21 -0.02 4.05 3.07 -0.50 0.36 117.51 125.01 2pru h ILE 36 Ca -0.01 -0.95 -0.03 0.00 1.55 0.00 0.00 64.86 65.42 2pru h ILE 36 Cb 0.59 1.21 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 2pru h ILE 36 CO 0.01 0.30 -0.13 0.78 -1.05 0.00 0.00 178.15 178.07 2pru h ASN 37 N 0.34 0.03 0.00 2.16 2.35 -1.29 -3.02 115.58 116.15 2pru h ASN 37 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2pru h ASN 37 Cb 0.46 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2pru h ASN 37 CO 0.03 0.16 -0.75 -3.20 -1.65 0.00 0.00 177.43 172.02 2pru n ASN 38 N -4.37 1.47 0.08 5.81 5.15 -0.50 -4.65 115.26 118.24 2pru n ASN 38 Ca -0.02 0.26 -0.12 0.00 -0.60 0.00 0.00 54.58 54.09 2pru n ASN 38 Cb 0.21 -0.69 -0.13 0.00 -0.53 0.00 0.00 39.78 38.64 2pru n ASN 38 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2pru h GLU 39 N -0.76 0.16 0.25 1.20 4.39 -0.50 -3.39 114.58 115.93 2pru h GLU 39 Ca 0.00 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 2pru h GLU 39 Cb 0.75 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2pru h GLU 39 CO 0.00 1.11 -0.12 1.25 -1.16 0.00 0.00 179.01 180.09 2pru h LEU 40 N 0.04 -0.29 -8.03 1.33 6.46 -1.60 -3.43 115.31 109.80 2pru h LEU 40 Ca -0.10 0.01 -0.69 0.00 -0.12 0.00 0.00 57.88 56.99 2pru h LEU 40 Cb 1.90 0.07 -0.18 0.00 -0.73 0.00 0.00 40.66 41.72 2pru h LEU 40 CO 0.17 0.11 0.70 -0.94 -0.62 0.00 0.00 178.44 177.85 2pru s SER 41 N -4.80 6.53 0.00 1.25 1.04 -1.15 -4.57 113.70 111.99 2pru s SER 41 Ca -0.05 -1.86 0.00 0.00 0.48 0.00 0.00 55.95 54.52 2pru s SER 41 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2pru s SER 41 CO 0.15 -1.11 0.00 1.41 0.98 0.00 0.00 173.24 174.67 2pru n HIS 42 N 6.60 0.00 0.84 5.02 8.25 -1.26 -4.90 115.22 129.77 2pru n HIS 42 Ca 0.16 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.73 2pru n HIS 42 Cb 0.48 0.14 0.03 0.00 1.12 0.00 0.00 29.99 31.75 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 -2.28 0.07 -2.66 4.41 3.72 -1.26 -4.68 117.46 114.78 2pru n PHE 43 Ca 0.00 0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 2pru n PHE 43 Cb 0.00 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 2pru n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2pru s LEU 44 N -3.31 3.76 0.00 4.37 2.01 -1.26 -4.85 118.68 119.39 2pru s LEU 44 Ca 0.07 0.44 0.00 0.00 0.01 0.00 0.00 54.13 54.65 2pru s LEU 44 Cb 0.16 -3.46 0.00 0.00 0.01 0.00 0.00 46.19 42.90 2pru s LEU 44 CO 0.80 -1.16 0.00 -0.62 1.01 0.00 0.00 176.35 176.38 2pru n GLU 45 N 7.58 0.00 -3.33 1.70 1.02 -1.26 -4.79 120.64 121.55 2pru n GLU 45 Ca 0.10 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.99 2pru n GLU 45 Cb 0.49 -0.08 -0.08 0.00 -0.02 0.00 0.00 31.44 31.74 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 -1.99 0.93 -0.09 3.49 1.02 -1.26 -4.24 120.64 118.51 2pru n GLU 46 Ca 0.00 -3.52 -0.19 0.00 -0.02 0.00 0.00 57.16 53.43 2pru n GLU 46 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 31.44 29.79 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2pru n ILE 47 N 1.73 0.98 0.00 -3.67 5.41 -1.26 -4.95 119.36 117.60 2pru n ILE 47 Ca 0.25 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2pru n ILE 47 Cb 0.49 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 2pru n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2pru n LYS 48 N -3.79 0.00 0.17 0.38 4.76 -1.26 -4.95 118.16 113.47 2pru n LYS 48 Ca -0.35 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.21 2pru n LYS 48 Cb 0.75 -0.23 0.67 0.00 -1.84 0.00 0.00 35.03 34.38 2pru n LYS 48 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2pru h GLU 49 N 0.00 0.00 -0.02 1.97 9.09 -1.34 -1.46 114.58 122.83 2pru h GLU 49 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pru h GLU 49 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2pru h GLU 49 CO 0.00 0.00 0.02 -0.56 0.05 0.00 0.00 179.01 178.52 2pru h GLN 50 N 0.00 0.00 0.00 1.06 -0.00 -1.86 0.42 115.11 114.73 2pru h GLN 50 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 2pru h GLN 50 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.85 2pru h GLN 50 CO -0.00 0.00 -0.08 0.93 -0.00 0.00 0.00 178.83 179.68 2pru h GLU 51 N 0.00 0.00 0.00 0.06 5.08 -1.64 -3.42 114.58 114.67 2pru h GLU 51 Ca 0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2pru h GLU 51 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2pru h GLU 51 CO -0.00 0.10 -0.32 0.28 -1.00 0.00 0.00 179.01 178.07 2pru h VAL 52 N -1.00 0.77 -0.76 3.13 2.07 -1.17 -3.18 116.25 116.12 2pru h VAL 52 Ca -0.00 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.18 2pru h VAL 52 Cb 0.17 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2pru h VAL 52 CO -0.00 0.32 0.46 0.58 0.02 0.00 0.00 177.57 178.94 2pru h VAL 53 N 0.00 1.04 -0.59 2.57 2.07 -0.42 0.71 116.25 121.63 2pru h VAL 53 Ca -0.00 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 2pru h VAL 53 Cb 0.85 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2pru h VAL 53 CO 0.04 0.16 0.05 -0.78 0.02 0.00 0.00 177.57 177.06 2pru h ASP 54 N 0.86 0.97 0.51 0.57 1.82 -1.78 -2.01 116.42 117.36 2pru h ASP 54 Ca 0.32 -0.28 -0.13 0.00 -0.39 0.00 0.00 57.03 56.56 2pru h ASP 54 Cb 0.12 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.85 2pru h ASP 54 CO -0.15 1.01 -0.57 0.11 -1.61 0.00 0.00 179.24 178.03 2pru h LYS 55 N 0.90 0.06 -0.15 0.28 1.57 -1.37 -2.61 116.57 115.25 2pru h LYS 55 Ca 0.17 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2pru h LYS 55 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2pru h LYS 55 CO 0.02 0.62 -0.52 -0.24 -0.57 0.00 0.00 179.45 178.76 2pru h VAL 56 N 0.05 1.33 0.00 0.50 3.04 0.66 0.07 116.25 121.90 2pru h VAL 56 Ca -0.00 -1.77 -0.07 0.00 -1.01 0.00 0.00 66.70 63.85 2pru h VAL 56 Cb 1.02 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 32.08 2pru h VAL 56 CO 0.08 0.54 -0.32 0.24 -1.01 0.00 0.00 177.57 177.10 2pru h MET 57 N 0.33 0.00 0.23 4.17 2.86 -1.01 0.76 114.93 122.27 2pru h MET 57 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2pru h MET 57 Cb 1.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.68 2pru h MET 57 CO 0.09 0.32 -0.11 1.49 1.06 0.00 0.00 176.91 179.76 2pru h GLU 58 N 0.00 -0.30 -0.93 1.72 4.81 -1.12 -3.27 114.58 115.49 2pru h GLU 58 Ca -0.00 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2pru h GLU 58 Cb 0.57 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 2pru h GLU 58 CO 0.04 -0.20 0.60 1.79 -0.73 0.00 0.00 179.01 180.51 2pru h THR 59 N -0.93 1.12 -0.38 0.32 1.35 -0.87 0.36 112.91 113.88 2pru h THR 59 Ca -0.03 -0.39 0.06 0.00 -0.55 0.00 0.00 66.41 65.50 2pru h THR 59 Cb 0.24 -0.11 -0.05 0.00 -1.73 0.00 0.00 68.15 66.49 2pru h THR 59 CO 0.05 0.21 0.05 0.25 -0.25 0.00 0.00 175.52 175.83 2pru h LEU 60 N 1.13 -0.04 0.06 3.87 5.85 -1.01 0.56 115.31 125.73 2pru h LEU 60 Ca 0.38 0.07 -0.29 0.00 0.84 0.00 0.00 57.88 58.89 2pru h LEU 60 Cb 0.06 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2pru h LEU 60 CO -0.14 0.01 -1.51 -0.78 -0.34 0.00 0.00 178.44 175.68 2pru h ASP 61 N 0.17 0.19 -0.53 1.25 3.58 -1.49 -3.20 116.42 116.39 2pru h ASP 61 Ca 0.18 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.28 2pru h ASP 61 Cb 0.23 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2pru h ASP 61 CO -0.26 1.25 0.07 -1.13 -2.88 0.00 0.00 179.24 176.28 2pru h ASN 62 N 0.03 0.86 -0.81 2.28 -1.24 -0.05 -2.45 115.58 114.19 2pru h ASN 62 Ca -0.22 -0.27 -0.04 0.00 0.71 0.00 0.00 56.30 56.48 2pru h ASN 62 Cb 1.97 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 40.75 2pru h ASN 62 CO 0.12 0.91 0.36 -0.78 -1.29 0.00 0.00 177.43 176.75 2pru h ASP 63 N 0.77 1.10 0.00 1.15 1.82 -1.01 -3.46 116.42 116.79 2pru h ASP 63 Ca 0.16 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2pru h ASP 63 Cb 0.43 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2pru h ASP 63 CO 0.01 0.95 0.00 0.61 -1.61 0.00 0.00 179.24 179.20 2pru n GLY 64 N -0.95 1.07 3.53 -0.78 0.00 -0.92 -4.56 105.19 102.57 2pru n GLY 64 Ca 0.08 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 6.36 0.00 1.61 2.15 -1.26 -4.58 116.67 116.95 2pru s ASP 65 Ca 0.00 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 52.69 2pru s ASP 65 Cb 0.00 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2pru s ASP 65 CO 0.00 -1.20 0.48 0.61 -0.17 0.00 0.00 175.17 174.89 2pru n GLY 66 N 5.09 0.15 1.69 2.66 0.00 -1.26 -5.15 105.19 108.36 2pru n GLY 66 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -2.28 -3.69 1.61 4.71 -1.26 -4.79 120.64 114.94 2pru n GLU 67 Ca -0.12 1.50 -0.29 0.00 -0.01 0.00 0.00 57.16 58.24 2pru n GLU 67 Cb 0.44 -2.78 -0.15 0.00 -1.01 0.00 0.00 31.44 27.94 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2pru s ASP 69 N 1.76 5.07 0.57 0.00 2.15 -1.26 -4.65 116.67 120.31 2pru s ASP 69 Ca 0.07 -0.67 0.27 0.00 0.43 0.00 0.00 52.55 52.65 2pru s ASP 69 Cb -0.17 -0.74 1.62 0.00 -0.30 0.00 0.00 42.92 43.33 2pru s ASP 69 CO -0.24 -0.49 2.13 2.19 -0.17 0.00 0.00 175.17 178.59 2pru h PHE 70 N 1.19 0.00 -0.65 -5.34 -5.15 -1.98 -0.84 116.94 104.18 2pru h PHE 70 Ca -0.43 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.27 2pru h PHE 70 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.40 2pru h PHE 70 CO 0.54 0.00 0.14 -0.56 -2.00 0.00 0.00 178.31 176.42 2pru h GLN 71 N 0.00 1.05 0.05 6.09 3.07 -1.98 0.92 115.11 124.31 2pru h GLN 71 Ca 0.07 -0.26 -0.23 0.00 0.09 0.00 0.00 58.65 58.32 2pru h GLN 71 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2pru h GLN 71 CO -0.00 0.96 -1.05 0.93 0.09 0.00 0.00 178.83 179.76 2pru h GLU 72 N 0.97 0.15 -0.08 0.06 5.08 -1.60 -0.60 114.58 118.57 2pru h GLU 72 Ca 0.20 -0.23 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2pru h GLU 72 Cb 0.39 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2pru h GLU 72 CO 0.01 1.06 -0.28 0.35 -1.00 0.00 0.00 179.01 179.15 2pru h PHE 73 N 0.06 -0.75 -0.26 4.33 3.04 -1.00 0.13 116.94 122.49 2pru h PHE 73 Ca -0.06 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2pru h PHE 73 Cb 1.76 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 40.60 2pru h PHE 73 CO 0.03 -0.36 0.13 1.98 -2.02 0.00 0.00 178.31 178.07 2pru h MET 74 N -0.38 0.37 0.21 1.11 4.05 -0.78 -2.96 114.93 116.55 2pru h MET 74 Ca 0.08 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2pru h MET 74 Cb 0.50 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 2pru h MET 74 CO -0.29 0.36 -0.31 0.00 0.23 0.00 0.00 176.91 176.89 2pru h ALA 75 N 1.00 -0.59 -0.24 0.39 0.00 -0.51 0.89 119.26 120.20 2pru h ALA 75 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pru h ALA 75 Cb 0.10 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2pru h ALA 75 CO -0.01 -0.88 0.11 0.74 0.00 0.00 0.00 179.25 179.21 2pru h PHE 76 N -0.59 0.35 -0.43 0.00 0.04 -0.80 0.11 116.94 115.62 2pru h PHE 76 Ca 0.01 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 2pru h PHE 76 Cb 0.58 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2pru h PHE 76 CO -0.24 0.35 -0.21 -0.24 -0.60 0.00 0.00 178.31 177.37 2pru h VAL 77 N 0.25 1.28 0.00 -0.55 3.04 -1.44 -2.49 116.25 116.33 2pru h VAL 77 Ca 0.08 -1.36 -0.15 0.00 -1.01 0.00 0.00 66.70 64.26 2pru h VAL 77 Cb 0.14 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 2pru h VAL 77 CO -0.01 0.46 -0.71 0.00 -1.01 0.00 0.00 177.57 176.31 2pru h ALA 78 N 0.83 0.61 0.00 3.17 0.00 -0.72 -2.75 119.26 120.40 2pru h ALA 78 Ca 0.09 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2pru h ALA 78 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2pru h ALA 78 CO 0.06 0.88 -0.28 0.00 0.00 0.00 0.00 179.25 179.91 2pru h MET 79 N 0.00 0.00 0.04 0.00 -0.00 -0.74 0.22 114.93 114.45 2pru h MET 79 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2pru h MET 79 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.05 2pru h MET 79 CO 0.09 0.28 -0.02 -0.39 -0.00 0.00 0.00 176.91 176.88 2pru h VAL 80 N 0.00 1.35 0.20 -0.10 -1.51 -1.34 -3.10 116.25 111.75 2pru h VAL 80 Ca -0.00 -1.63 -0.34 0.00 -1.23 0.00 0.00 66.70 63.49 2pru h VAL 80 Cb 1.13 2.38 0.02 0.00 -2.13 0.00 0.00 31.29 32.69 2pru h VAL 80 CO 0.04 0.39 -1.65 0.74 -1.23 0.00 0.00 177.57 175.85 2pru h THR 81 N -0.82 1.06 0.00 7.19 2.02 -1.57 -0.54 112.91 120.26 2pru h THR 81 Ca -0.01 -2.60 -0.44 0.00 0.77 0.00 0.00 66.41 64.14 2pru h THR 81 Cb 0.68 2.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.87 2pru h THR 81 CO 0.01 0.84 -2.39 0.41 0.37 0.00 0.00 175.52 174.76 2pru n THR 82 N -3.61 1.53 -2.91 3.16 -1.04 0.45 -4.12 114.28 107.74 2pru n THR 82 Ca -0.22 -0.35 -0.06 0.00 -2.04 0.00 0.00 64.05 61.38 2pru n THR 82 Cb 1.08 -1.89 0.01 0.00 -1.82 0.00 0.00 70.33 67.71 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 -4.12 -3.01 -2.79 2.41 0.00 0.49 -3.82 120.51 109.67 2pru n ALA 83 Ca -0.52 0.62 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 2pru n ALA 83 Cb 0.87 -1.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 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 0.82 0.01 0.00 0.00 -0.00 -1.26 -4.82 115.22 109.97 2pru n HIS 85 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.51 2pru n HIS 85 Cb 0.58 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 2pru n HIS 85 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2pru n GLU 86 N 0.54 0.00 -3.66 -0.41 2.13 -1.26 -5.05 120.64 112.92 2pru n GLU 86 Ca 0.06 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.61 2pru n GLU 86 Cb 0.24 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.96 2pru n GLU 86 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2pru n PHE 87 N 0.00 -2.29 0.00 4.31 3.72 -1.26 -4.95 117.46 117.00 2pru n PHE 87 Ca 0.00 0.94 0.00 0.00 -0.05 0.00 0.00 57.45 58.34 2pru n PHE 87 Cb 0.00 -2.63 0.00 0.00 -0.94 0.00 0.00 39.48 35.91 2pru n PHE 87 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pru n PHE 88 N -1.93 0.00 1.31 1.38 7.35 -1.26 -4.10 117.46 120.20 2pru n PHE 88 Ca -0.24 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.48 2pru n PHE 88 Cb 0.68 0.00 0.09 0.00 0.35 0.00 0.00 39.48 40.60 2pru n PHE 88 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2pru n GLU 89 N -1.84 1.50 0.00 -4.13 1.02 -1.19 -3.96 120.64 112.04 2pru n GLU 89 Ca 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 2pru n GLU 89 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2pru n GLU 89 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2pru n HIS 90 N 0.08 -0.61 -0.61 -0.32 -0.00 -1.25 -4.96 115.22 107.55 2pru n HIS 90 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2pru n HIS 90 Cb 0.19 0.34 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89