#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 0.72 -0.07 1.43 4.57 -2.07 -2.85 114.58 116.31 2pru h GLU 2 Ca 0.00 -0.33 -0.18 0.00 -1.18 0.00 0.00 59.36 57.67 2pru h GLU 2 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2pru h GLU 2 CO 0.00 0.94 -0.73 1.25 -1.18 0.00 0.00 179.01 179.29 2pru h LEU 3 N 0.61 0.44 -0.99 1.64 7.12 -2.06 -3.06 115.31 119.02 2pru h LEU 3 Ca 0.07 -0.29 0.08 0.00 0.13 0.00 0.00 57.88 57.87 2pru h LEU 3 Cb 0.83 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.76 2pru h LEU 3 CO 0.07 1.03 0.63 -0.33 -0.13 0.00 0.00 178.44 179.70 2pru h GLU 4 N 0.25 1.06 0.00 1.25 5.08 -1.95 -0.51 114.58 119.76 2pru h GLU 4 Ca -0.03 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2pru h GLU 4 Cb 1.30 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2pru h GLU 4 CO 0.12 0.70 -0.30 1.57 -1.00 0.00 0.00 179.01 180.10 2pru h LYS 5 N 1.09 0.00 -0.53 2.33 2.10 -1.44 -1.30 116.57 118.83 2pru h LYS 5 Ca 0.45 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.98 2pru h LYS 5 Cb 0.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2pru h LYS 5 CO -0.21 0.30 -0.14 0.00 -2.00 0.00 0.00 179.45 177.41 2pru h ALA 6 N 1.70 0.76 -0.67 0.07 0.00 -1.07 0.10 119.26 120.15 2pru h ALA 6 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2pru h ALA 6 Cb 0.81 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2pru h ALA 6 CO 0.04 0.67 0.11 1.98 0.00 0.00 0.00 179.25 182.05 2pru h MET 7 N 0.90 1.11 -0.61 0.00 1.85 -0.94 -2.59 114.93 114.64 2pru h MET 7 Ca 0.13 -0.30 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 2pru h MET 7 Cb 0.70 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.58 2pru h MET 7 CO 0.05 1.01 0.39 0.28 -0.40 0.00 0.00 176.91 178.24 2pru h VAL 8 N 1.03 1.17 -0.47 -5.77 2.07 -0.82 -2.48 116.25 110.98 2pru h VAL 8 Ca 0.20 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2pru h VAL 8 Cb 0.44 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 2pru h VAL 8 CO 0.01 0.16 0.17 0.00 0.02 0.00 0.00 177.57 177.94 2pru h ALA 9 N 1.21 0.57 -0.72 1.67 0.00 -0.45 0.54 119.26 122.07 2pru h ALA 9 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2pru h ALA 9 Cb -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2pru h ALA 9 CO -0.05 -0.22 0.47 -0.07 0.00 0.00 0.00 179.25 179.38 2pru h LEU 10 N 0.34 0.84 0.00 0.00 3.38 -1.20 0.32 115.31 118.99 2pru h LEU 10 Ca 0.22 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 2pru h LEU 10 Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2pru h LEU 10 CO -0.22 0.62 -0.68 0.16 0.09 0.00 0.00 178.44 178.41 2pru h ILE 11 N 0.98 0.72 0.00 1.22 3.07 -0.95 -3.23 117.51 119.33 2pru h ILE 11 Ca 0.26 -2.07 -0.00 0.00 1.55 0.00 0.00 64.86 64.60 2pru h ILE 11 Cb -0.09 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 2pru h ILE 11 CO -0.06 0.41 -0.00 -0.78 -1.05 0.00 0.00 178.15 176.67 2pru h ASP 12 N 0.00 -0.00 -0.55 2.16 3.58 0.43 -2.87 116.42 119.16 2pru h ASP 12 Ca -0.03 -0.90 -0.00 0.00 0.42 0.00 0.00 57.03 56.52 2pru h ASP 12 Cb 1.39 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.41 2pru h ASP 12 CO 0.06 0.94 0.34 0.58 -2.88 0.00 0.00 179.24 178.27 2pru h VAL 13 N -0.99 1.16 -0.29 2.25 2.07 -0.53 -1.13 116.25 118.79 2pru h VAL 13 Ca -0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2pru h VAL 13 Cb 0.90 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2pru h VAL 13 CO 0.00 0.17 0.13 -0.26 0.02 0.00 0.00 177.57 177.63 2pru h PHE 14 N 0.77 0.43 0.00 1.57 -1.00 -1.66 -2.47 116.94 114.58 2pru h PHE 14 Ca 0.20 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.92 2pru h PHE 14 Cb -0.03 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 2pru h PHE 14 CO 0.00 0.40 -0.19 1.12 -1.61 0.00 0.00 178.31 178.03 2pru h HIS 15 N 0.33 0.00 -0.42 -0.55 2.07 -1.01 0.28 115.15 115.85 2pru h HIS 15 Ca 0.10 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.56 2pru h HIS 15 Cb 0.14 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.10 2pru h HIS 15 CO -0.02 0.19 0.02 1.96 -3.07 0.00 0.00 177.93 177.01 2pru h GLN 16 N 0.00 0.73 0.00 5.12 4.20 -1.06 -3.35 115.11 120.75 2pru h GLN 16 Ca -0.00 -0.22 -0.21 0.00 0.06 0.00 0.00 58.65 58.27 2pru h GLN 16 Cb 0.39 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 2pru h GLN 16 CO 0.02 0.80 -1.97 0.98 -0.67 0.00 0.00 178.83 177.99 2pru n TYR 17 N -4.44 0.34 -2.26 2.96 9.36 -0.74 -4.97 117.16 117.41 2pru n TYR 17 Ca -0.00 0.11 -0.34 0.00 3.32 0.00 0.00 57.90 60.99 2pru n TYR 17 Cb 0.28 -0.91 -0.00 0.00 -0.63 0.00 0.00 39.34 38.07 2pru n TYR 17 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2pru s SER 18 N -5.36 5.89 -0.85 2.98 0.01 0.90 -4.93 113.70 112.35 2pru s SER 18 Ca -0.07 2.00 -0.25 0.00 1.31 0.00 0.00 55.95 58.94 2pru s SER 18 Cb 0.09 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2pru s SER 18 CO 0.84 -1.10 1.77 -0.83 0.41 0.00 0.00 173.24 174.34 2pru s GLY 19 N -2.14 0.46 0.40 3.44 0.00 -1.25 -4.83 107.32 103.39 2pru s GLY 19 Ca 0.68 -1.45 0.13 0.00 0.00 0.00 0.00 44.72 44.08 2pru s GLY 19 CO 0.28 3.24 1.90 0.07 0.00 0.00 0.00 173.10 178.59 2pru h ARG 20 N 11.70 0.52 0.00 2.90 -0.00 -1.88 0.93 114.38 128.55 2pru h ARG 20 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2pru h ARG 20 Cb 1.05 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.90 2pru h ARG 20 CO 1.26 0.35 0.00 -1.91 -0.00 0.00 0.00 179.97 179.67 2pru n GLU 21 N -4.51 0.00 0.01 0.08 2.13 -1.26 -3.56 120.64 113.53 2pru n GLU 21 Ca 0.15 0.05 -0.07 0.00 0.66 0.00 0.00 57.16 57.96 2pru n GLU 21 Cb 0.49 -0.32 0.12 0.00 0.27 0.00 0.00 31.44 32.00 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 0.00 0.55 -1.99 8.31 0.00 -2.00 -3.04 103.07 104.91 2pru h GLY 22 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2pru h GLY 22 CO 0.00 0.50 0.00 1.22 0.00 0.00 0.00 176.54 178.26 2pru n ASP 23 N -4.02 2.96 -2.08 0.19 9.92 -0.98 -4.88 116.55 117.66 2pru n ASP 23 Ca -0.02 -2.23 -0.20 0.00 -0.53 0.00 0.00 54.79 51.81 2pru n ASP 23 Cb 0.52 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 2pru n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2pru n LYS 24 N 0.61 -1.54 -1.09 -1.24 4.01 -1.11 -2.34 118.16 115.45 2pru n LYS 24 Ca 0.15 1.03 -0.03 0.00 -0.51 0.00 0.00 58.31 58.95 2pru n LYS 24 Cb 0.55 -5.57 -0.01 0.00 -0.51 0.00 0.00 35.03 29.49 2pru n LYS 24 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2pru n HIS 25 N -3.59 0.00 -4.23 2.13 -0.00 0.29 -4.98 115.22 104.84 2pru n HIS 25 Ca -0.23 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.69 2pru n HIS 25 Cb 0.67 -1.10 -0.08 0.00 -0.12 0.00 0.00 29.99 29.37 2pru n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2pru s LYS 26 N -1.54 2.31 0.14 1.57 1.02 -0.99 -4.77 119.74 117.49 2pru s LYS 26 Ca 0.00 -1.16 -0.10 0.00 0.02 0.00 0.00 55.97 54.73 2pru s LYS 26 Cb 0.00 -2.30 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 2pru s LYS 26 CO 0.00 0.45 1.41 1.25 -0.92 0.00 0.00 175.35 177.54 2pru h LEU 27 N 2.73 0.90 -0.46 3.17 7.12 -1.86 -3.32 115.31 123.59 2pru h LEU 27 Ca -0.47 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.04 2pru h LEU 27 Cb 1.20 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 2pru h LEU 27 CO 0.57 1.28 -0.37 0.29 -0.13 0.00 0.00 178.44 180.09 2pru n LYS 28 N -3.98 -1.99 0.16 1.25 4.01 -1.26 -4.48 118.16 111.87 2pru n LYS 28 Ca -0.05 1.44 0.01 0.00 -0.51 0.00 0.00 58.31 59.21 2pru n LYS 28 Cb 0.64 -1.60 0.29 0.00 -0.51 0.00 0.00 35.03 33.86 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 1.08 0.04 -0.18 1.97 1.57 -1.68 -1.80 116.57 117.56 2pru h LYS 29 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2pru h LYS 29 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pru h LYS 29 CO 0.00 0.47 -0.09 1.03 -0.57 0.00 0.00 179.45 180.30 2pru h SER 30 N 0.03 0.26 1.36 0.86 0.87 -1.82 -1.43 113.55 113.68 2pru h SER 30 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2pru h SER 30 Cb 0.80 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2pru h SER 30 CO 0.06 0.38 -0.51 -0.33 -0.53 0.00 0.00 176.83 175.91 2pru h GLU 31 N 0.27 0.00 0.00 2.24 5.08 -1.60 -3.20 114.58 117.37 2pru h GLU 31 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2pru h GLU 31 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2pru h GLU 31 CO 0.02 0.00 -0.06 1.25 -1.00 0.00 0.00 179.01 179.22 2pru h LEU 32 N 0.00 0.00 0.13 1.33 7.12 -0.45 -2.30 115.31 121.14 2pru h LEU 32 Ca 0.00 0.00 0.02 0.00 0.13 0.00 0.00 57.88 58.03 2pru h LEU 32 Cb 0.93 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.03 2pru h LEU 32 CO 0.00 0.06 -0.25 0.50 -0.13 0.00 0.00 178.44 178.61 2pru h LYS 33 N 0.00 -0.45 -0.22 1.25 3.11 -1.53 0.31 116.57 119.05 2pru h LYS 33 Ca -0.00 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.81 2pru h LYS 33 Cb 0.17 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2pru h LYS 33 CO 0.01 -0.30 -0.13 0.93 -2.81 0.00 0.00 179.45 177.14 2pru h GLU 34 N -0.46 0.36 -0.28 1.90 5.08 -1.64 -2.67 114.58 116.87 2pru h GLU 34 Ca 0.03 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2pru h GLU 34 Cb 0.48 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2pru h GLU 34 CO -0.14 0.50 -0.30 1.25 -1.00 0.00 0.00 179.01 179.32 2pru h LEU 35 N 0.33 0.74 -0.53 1.33 5.85 -1.00 -2.79 115.31 119.24 2pru h LEU 35 Ca 0.06 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 2pru h LEU 35 Cb 0.44 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2pru h LEU 35 CO 0.03 1.07 0.10 0.16 -0.34 0.00 0.00 178.44 179.45 2pru h ILE 36 N 0.42 1.25 0.00 4.05 3.07 -0.27 0.12 117.51 126.16 2pru h ILE 36 Ca 0.04 -0.93 -0.01 0.00 1.55 0.00 0.00 64.86 65.51 2pru h ILE 36 Cb 0.87 0.83 -0.00 0.00 -0.27 0.00 0.00 36.82 38.26 2pru h ILE 36 CO 0.07 0.34 -0.03 0.78 -1.05 0.00 0.00 178.15 178.26 2pru h ASN 37 N 0.76 0.00 0.00 2.16 -0.26 -1.47 0.18 115.58 116.95 2pru h ASN 37 Ca 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 2pru h ASN 37 Cb 0.39 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2pru h ASN 37 CO 0.01 0.03 -0.12 -3.20 -1.06 0.00 0.00 177.43 173.08 2pru n ASN 38 N -3.46 0.25 -0.02 5.81 2.85 -0.92 -4.72 115.26 115.05 2pru n ASN 38 Ca -0.02 0.06 0.08 0.00 -0.11 0.00 0.00 54.58 54.58 2pru n ASN 38 Cb 0.14 -0.53 -0.16 0.00 1.24 0.00 0.00 39.78 40.47 2pru n ASN 38 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2pru n GLU 39 N -2.74 0.65 -0.03 1.20 4.07 0.37 -4.40 120.64 119.76 2pru n GLU 39 Ca -0.02 -0.17 0.05 0.00 -0.06 0.00 0.00 57.16 56.97 2pru n GLU 39 Cb 0.06 -1.48 -0.17 0.00 -0.06 0.00 0.00 31.44 29.79 2pru n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2pru n LEU 40 N -2.26 0.01 -3.41 4.31 4.32 -1.15 -4.76 117.00 114.06 2pru n LEU 40 Ca -0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.69 2pru n LEU 40 Cb 0.60 0.14 -0.10 0.00 -1.62 0.00 0.00 43.42 42.43 2pru n LEU 40 CO 0.43 0.14 -0.25 -0.44 -1.22 0.00 0.00 177.39 176.04 2pru s SER 41 N -4.80 2.15 -0.06 -1.43 0.01 0.63 -4.93 113.70 105.27 2pru s SER 41 Ca -0.08 -1.95 0.01 0.00 1.31 0.00 0.00 55.95 55.23 2pru s SER 41 Cb 0.12 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 2pru s SER 41 CO 0.89 -0.28 -0.05 1.57 0.41 0.00 0.00 173.24 175.77 2pru n HIS 42 N 4.10 0.00 1.32 2.43 -0.00 -1.26 -4.50 115.22 117.30 2pru n HIS 42 Ca 0.12 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.43 2pru n HIS 42 Cb 0.41 -0.25 0.42 0.00 -0.12 0.00 0.00 29.99 30.45 2pru n HIS 42 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2pru n PHE 43 N -2.66 0.00 -2.56 1.57 1.16 -1.26 -4.73 117.46 108.98 2pru n PHE 43 Ca -0.11 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.06 2pru n PHE 43 Cb 0.63 -0.09 -0.03 0.00 -1.61 0.00 0.00 39.48 38.38 2pru n PHE 43 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2pru s LEU 44 N -2.35 3.43 -0.02 5.98 1.02 -1.26 -4.63 118.68 120.84 2pru s LEU 44 Ca 0.28 -1.22 0.20 0.00 0.02 0.00 0.00 54.13 53.41 2pru s LEU 44 Cb 0.20 -2.57 -0.29 0.00 0.02 0.00 0.00 46.19 43.55 2pru s LEU 44 CO 0.46 -1.59 0.47 -0.62 0.02 0.00 0.00 176.35 175.10 2pru n GLU 45 N 8.99 0.61 0.00 1.70 1.02 -1.26 -5.02 120.64 126.68 2pru n GLU 45 Ca 0.26 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2pru n GLU 45 Cb 0.51 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2pru n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2pru n GLU 46 N -2.10 0.00 0.00 3.49 0.28 -1.26 -5.00 120.64 116.05 2pru n GLU 46 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2pru n GLU 46 Cb 0.49 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.36 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2pru n ILE 47 N 0.00 0.00 -0.88 3.84 5.41 -1.26 -4.03 119.36 122.45 2pru n ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2pru n ILE 47 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.00 0.19 -0.05 0.38 4.76 -1.25 -4.91 118.16 117.28 2pru n LYS 48 Ca 0.00 -0.42 -0.10 0.00 -2.87 0.00 0.00 58.31 54.92 2pru n LYS 48 Cb 0.00 -0.56 -0.04 0.00 -1.84 0.00 0.00 35.03 32.59 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 0.29 -0.26 1.97 -0.00 -1.70 -0.31 114.58 114.57 2pru h GLU 49 Ca 0.00 -0.04 0.02 0.00 -0.00 0.00 0.00 59.36 59.34 2pru h GLU 49 Cb 0.75 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.44 2pru h GLU 49 CO 0.00 0.30 0.17 -0.56 -0.00 0.00 0.00 179.01 178.93 2pru h GLN 50 N 0.20 0.28 0.00 1.06 3.07 -1.91 0.48 115.11 118.30 2pru h GLN 50 Ca 0.07 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 2pru h GLN 50 Cb 0.11 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 27.60 2pru h GLN 50 CO -0.01 0.18 -0.13 0.93 0.09 0.00 0.00 178.83 179.89 2pru h GLU 51 N 0.28 0.00 -0.16 0.06 5.08 -1.91 -3.37 114.58 114.56 2pru h GLU 51 Ca 0.10 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2pru h GLU 51 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2pru h GLU 51 CO -0.02 0.37 -0.17 0.28 -1.00 0.00 0.00 179.01 178.47 2pru h VAL 52 N -1.00 1.35 -0.96 3.13 2.07 -0.68 -3.09 116.25 117.07 2pru h VAL 52 Ca -0.02 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.22 2pru h VAL 52 Cb 0.44 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 2pru h VAL 52 CO -0.01 0.40 0.62 0.58 0.02 0.00 0.00 177.57 179.17 2pru h VAL 53 N 0.02 1.08 -0.50 2.57 2.07 -0.24 0.37 116.25 121.62 2pru h VAL 53 Ca 0.02 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 2pru h VAL 53 Cb 0.71 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2pru h VAL 53 CO 0.04 0.20 -0.07 -0.78 0.02 0.00 0.00 177.57 176.99 2pru h ASP 54 N 1.12 0.92 -0.22 0.57 3.58 -1.71 0.34 116.42 121.03 2pru h ASP 54 Ca 0.42 -0.34 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2pru h ASP 54 Cb 0.17 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2pru h ASP 54 CO -0.17 1.04 -0.03 0.11 -2.88 0.00 0.00 179.24 177.31 2pru h LYS 55 N 0.78 0.53 -0.20 0.28 1.57 -1.13 0.12 116.57 118.52 2pru h LYS 55 Ca 0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2pru h LYS 55 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2pru h LYS 55 CO 0.04 0.58 0.01 0.28 -0.57 0.00 0.00 179.45 179.79 2pru h VAL 56 N 0.51 1.25 0.00 0.50 2.07 0.18 0.80 116.25 121.55 2pru h VAL 56 Ca 0.10 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 2pru h VAL 56 Cb 0.37 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2pru h VAL 56 CO 0.02 0.26 -0.27 0.24 0.02 0.00 0.00 177.57 177.84 2pru h MET 57 N 0.11 0.00 0.61 1.57 2.86 0.17 0.31 114.93 120.56 2pru h MET 57 Ca 0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2pru h MET 57 Cb 0.38 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.04 2pru h MET 57 CO 0.01 0.27 -0.29 1.49 1.06 0.00 0.00 176.91 179.44 2pru h GLU 58 N 0.00 -0.79 -0.70 1.72 4.81 -0.59 -3.06 114.58 115.98 2pru h GLU 58 Ca -0.00 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2pru h GLU 58 Cb 0.56 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2pru h GLU 58 CO 0.03 -0.51 0.22 1.79 -0.73 0.00 0.00 179.01 179.82 2pru h THR 59 N -1.18 1.26 -0.34 0.32 1.35 -0.47 0.44 112.91 114.29 2pru h THR 59 Ca -0.08 -0.88 0.10 0.00 -0.55 0.00 0.00 66.41 64.99 2pru h THR 59 Cb 0.65 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 2pru h THR 59 CO 0.14 0.34 0.24 -0.07 -0.25 0.00 0.00 175.52 175.93 2pru h LEU 60 N 1.03 0.00 0.00 3.87 4.07 -0.51 0.30 115.31 124.06 2pru h LEU 60 Ca 0.23 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.77 2pru h LEU 60 Cb 0.30 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.98 2pru h LEU 60 CO -0.01 0.00 -2.45 -0.67 -1.08 0.00 0.00 178.44 174.24 2pru n ASP 61 N -4.43 1.94 0.02 -0.43 2.03 -0.85 -3.75 116.55 111.09 2pru n ASP 61 Ca 0.05 0.15 -0.12 0.00 0.52 0.00 0.00 54.79 55.39 2pru n ASP 61 Cb 0.42 -0.63 -0.09 0.00 -0.72 0.00 0.00 41.12 40.09 2pru n ASP 61 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2pru h ASN 62 N -0.60 -0.09 0.20 1.67 -0.73 -0.12 -3.36 115.58 112.55 2pru h ASN 62 Ca -0.63 -0.46 -0.01 0.00 1.87 0.00 0.00 56.30 57.07 2pru h ASN 62 Cb 1.68 0.02 0.00 0.00 0.27 0.00 0.00 38.32 40.30 2pru h ASN 62 CO -0.29 0.45 -0.10 -0.78 -0.37 0.00 0.00 177.43 176.34 2pru h ASP 63 N -0.68 -0.23 0.00 1.15 3.58 -1.12 -3.46 116.42 115.66 2pru h ASP 63 Ca -0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2pru h ASP 63 Cb 0.55 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2pru h ASP 63 CO 0.02 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.01 2pru n GLY 64 N 0.75 1.19 5.00 -0.78 0.00 -0.67 -4.73 105.19 105.95 2pru n GLY 64 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.38 0.00 0.00 1.61 -0.08 -1.26 -3.89 116.55 115.30 2pru n ASP 65 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2pru n ASP 65 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2pru n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pru n GLY 66 N 0.00 1.30 3.05 0.27 0.00 -1.26 -5.06 105.19 103.49 2pru n GLY 66 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.67 -3.79 1.61 0.28 -1.25 -4.66 120.64 113.50 2pru n GLU 67 Ca 0.00 -2.46 -0.13 0.00 -0.16 0.00 0.00 57.16 54.41 2pru n GLU 67 Cb 0.00 2.42 -0.14 0.00 1.43 0.00 0.00 31.44 35.16 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2pru s ASP 69 N 0.61 4.94 0.54 0.00 2.15 -1.26 -3.29 116.67 120.36 2pru s ASP 69 Ca -0.04 -0.74 0.29 0.00 0.43 0.00 0.00 52.55 52.49 2pru s ASP 69 Cb -0.06 -0.69 1.52 0.00 -0.30 0.00 0.00 42.92 43.39 2pru s ASP 69 CO -0.03 -0.49 2.09 2.19 -0.17 0.00 0.00 175.17 178.76 2pru h PHE 70 N 1.25 0.00 -0.66 -5.34 -5.15 -1.98 0.51 116.94 105.57 2pru h PHE 70 Ca -0.43 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.28 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 0.56 0.10 0.18 1.96 -2.00 0.00 0.00 178.31 179.10 2pru h GLN 71 N 0.00 1.03 0.04 6.09 4.20 -1.98 -0.85 115.11 123.63 2pru h GLN 71 Ca -0.00 -0.22 -0.22 0.00 0.06 0.00 0.00 58.65 58.26 2pru h GLN 71 Cb 0.32 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2pru h GLN 71 CO 0.01 0.90 -1.04 0.93 -0.67 0.00 0.00 178.83 178.95 2pru h GLU 72 N 0.98 0.10 -0.55 1.46 5.08 -1.46 -1.29 114.58 118.91 2pru h GLU 72 Ca 0.21 -0.16 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 2pru h GLU 72 Cb 0.32 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 2pru h GLU 72 CO -0.00 1.05 0.16 0.35 -1.00 0.00 0.00 179.01 179.56 2pru h PHE 73 N 0.03 0.27 0.29 4.33 3.04 -0.60 0.36 116.94 124.66 2pru h PHE 73 Ca -0.05 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 2pru h PHE 73 Cb 1.78 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 40.25 2pru h PHE 73 CO 0.02 0.04 -0.14 1.98 -2.02 0.00 0.00 178.31 178.20 2pru h MET 74 N 0.31 -0.37 -0.37 1.11 4.05 -1.12 -3.13 114.93 115.42 2pru h MET 74 Ca 0.27 0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.80 2pru h MET 74 Cb 0.35 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.16 2pru h MET 74 CO -0.32 -0.07 -0.19 0.00 0.23 0.00 0.00 176.91 176.57 2pru h ALA 75 N -0.07 0.09 -0.29 0.39 0.00 -0.51 0.67 119.26 119.54 2pru h ALA 75 Ca -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2pru h ALA 75 Cb 0.47 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2pru h ALA 75 CO 0.06 -0.56 -0.04 0.74 0.00 0.00 0.00 179.25 179.45 2pru h PHE 76 N -0.12 0.60 -0.12 0.00 -1.00 -1.07 -0.80 116.94 114.44 2pru h PHE 76 Ca 0.18 -0.12 -0.12 0.00 2.81 0.00 0.00 57.97 60.72 2pru h PHE 76 Cb 0.41 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 2pru h PHE 76 CO -0.41 0.72 -0.48 -0.24 -1.61 0.00 0.00 178.31 176.29 2pru h VAL 77 N 0.32 1.33 -0.01 -0.55 3.04 -1.41 -1.31 116.25 117.67 2pru h VAL 77 Ca 0.08 -1.68 -0.18 0.00 -1.01 0.00 0.00 66.70 63.91 2pru h VAL 77 Cb 0.50 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 2pru h VAL 77 CO 0.02 0.51 -0.80 0.00 -1.01 0.00 0.00 177.57 176.28 2pru h ALA 78 N 1.26 0.63 0.00 3.17 0.00 -0.77 -2.45 119.26 121.11 2pru h ALA 78 Ca 0.01 -0.69 -0.25 0.00 0.00 0.00 0.00 54.91 53.99 2pru h ALA 78 Cb 0.93 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2pru h ALA 78 CO 0.08 0.90 -1.33 0.00 0.00 0.00 0.00 179.25 178.89 2pru h MET 79 N 0.09 0.00 -0.28 0.00 -0.00 -0.94 -0.49 114.93 113.30 2pru h MET 79 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.49 2pru h MET 79 Cb 1.40 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.00 2pru h MET 79 CO 0.12 0.76 -0.53 -0.39 -0.00 0.00 0.00 176.91 176.87 2pru h VAL 80 N 0.00 1.28 0.00 -0.10 -1.51 -1.28 -3.26 116.25 111.38 2pru h VAL 80 Ca -0.14 -1.72 -0.13 0.00 -1.23 0.00 0.00 66.70 63.48 2pru h VAL 80 Cb 1.88 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 32.64 2pru h VAL 80 CO 0.11 0.56 -0.96 0.74 -1.23 0.00 0.00 177.57 176.79 2pru h THR 81 N 0.64 0.65 0.00 7.19 2.02 -1.54 -3.32 112.91 118.56 2pru h THR 81 Ca 0.02 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.14 2pru h THR 81 Cb 1.12 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2pru h THR 81 CO 0.12 0.37 0.00 0.41 0.37 0.00 0.00 175.52 176.79 2pru n THR 82 N -3.04 0.00 -0.94 3.16 -1.04 -0.24 -4.80 114.28 107.39 2pru n THR 82 Ca -0.04 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.09 2pru n THR 82 Cb 0.78 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.25 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 -3.00 -3.05 0.00 2.41 0.00 -0.94 -4.72 120.51 111.21 2pru n ALA 83 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2pru n ALA 83 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.58 -1.88 0.00 8.25 -1.26 -5.06 115.22 116.85 2pru n HIS 85 Ca 0.00 -3.86 -0.42 0.00 -0.26 0.00 0.00 57.72 53.18 2pru n HIS 85 Cb 0.00 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.70 2pru n HIS 85 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2pru s GLU 86 N -1.53 4.18 0.00 -0.41 1.03 -1.25 -0.15 118.70 120.56 2pru s GLU 86 Ca 0.35 2.37 0.00 0.00 0.03 0.00 0.00 54.97 57.72 2pru s GLU 86 Cb 0.11 -3.82 0.00 0.00 -0.80 0.00 0.00 34.13 29.62 2pru s GLU 86 CO -0.10 -0.82 0.00 1.19 -1.33 0.00 0.00 175.26 174.21 2pru n PHE 87 N 6.42 0.00 -0.07 4.83 3.72 -1.26 -4.70 117.46 126.40 2pru n PHE 87 Ca 0.17 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.49 2pru n PHE 87 Cb 0.41 -0.54 -0.10 0.00 -0.94 0.00 0.00 39.48 38.32 2pru n PHE 87 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2pru n PHE 88 N -2.00 0.00 0.13 1.38 3.72 -0.71 -2.93 117.46 117.05 2pru n PHE 88 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2pru n PHE 88 Cb 0.00 -0.65 0.31 0.00 -0.94 0.00 0.00 39.48 38.20 2pru n PHE 88 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2pru h GLU 89 N 0.00 0.17 0.00 -1.08 4.57 -0.83 -3.40 114.58 114.01 2pru h GLU 89 Ca -0.36 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2pru h GLU 89 Cb 1.74 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.32 2pru h GLU 89 CO -0.00 0.48 0.00 1.58 -1.18 0.00 0.00 179.01 179.89 2pru n HIS 90 N -4.11 0.00 0.00 0.92 -0.00 -1.26 -5.11 115.22 105.66 2pru n HIS 90 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2pru n HIS 90 Cb 0.40 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.27 2pru n HIS 90 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95