#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 0.45 -0.10 4.33 4.57 -2.06 -1.30 114.58 120.47 2pru h GLU 2 Ca 0.00 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.01 2pru h GLU 2 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2pru h GLU 2 CO 0.00 0.36 -0.47 1.25 -1.18 0.00 0.00 179.01 178.98 2pru h LEU 3 N 0.46 0.26 0.22 1.64 7.12 -2.05 -3.14 115.31 119.81 2pru h LEU 3 Ca 0.12 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 2pru h LEU 3 Cb 0.07 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2pru h LEU 3 CO -0.01 0.69 -0.10 -0.08 -0.13 0.00 0.00 178.44 178.81 2pru h GLU 4 N 0.20 -0.28 0.00 1.25 4.81 -1.67 0.22 114.58 119.10 2pru h GLU 4 Ca 0.01 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2pru h GLU 4 Cb 0.90 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2pru h GLU 4 CO 0.07 -0.15 -0.22 1.57 -0.73 0.00 0.00 179.01 179.55 2pru h LYS 5 N -0.33 0.00 0.00 1.92 2.10 -1.59 -2.95 116.57 115.72 2pru h LYS 5 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2pru h LYS 5 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2pru h LYS 5 CO 0.05 0.22 -0.07 0.00 -2.00 0.00 0.00 179.45 177.65 2pru h ALA 6 N 1.78 0.00 -0.90 0.07 0.00 -1.39 -3.17 119.26 115.65 2pru h ALA 6 Ca -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2pru h ALA 6 Cb 0.38 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2pru h ALA 6 CO 0.03 0.07 0.59 1.98 0.00 0.00 0.00 179.25 181.92 2pru h MET 7 N -0.66 1.12 -0.54 0.00 4.05 -0.66 -0.18 114.93 118.06 2pru h MET 7 Ca 0.00 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.25 2pru h MET 7 Cb 0.07 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 2pru h MET 7 CO 0.00 0.74 -0.06 0.28 0.23 0.00 0.00 176.91 178.10 2pru h VAL 8 N 1.15 1.26 -0.53 -5.77 2.07 -1.70 -2.80 116.25 109.94 2pru h VAL 8 Ca 0.36 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2pru h VAL 8 Cb -0.02 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2pru h VAL 8 CO -0.11 0.42 0.35 0.00 0.02 0.00 0.00 177.57 178.25 2pru h ALA 9 N 1.04 0.67 0.12 1.67 0.00 -1.01 0.24 119.26 122.00 2pru h ALA 9 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pru h ALA 9 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pru h ALA 9 CO 0.04 0.11 -0.06 -0.07 0.00 0.00 0.00 179.25 179.27 2pru h LEU 10 N 0.71 -0.13 -0.80 0.00 4.07 -1.35 -0.63 115.31 117.18 2pru h LEU 10 Ca 0.20 -0.19 -0.13 0.00 0.08 0.00 0.00 57.88 57.84 2pru h LEU 10 Cb -0.07 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2pru h LEU 10 CO -0.05 0.12 -0.55 0.16 -1.08 0.00 0.00 178.44 177.04 2pru h ILE 11 N -0.39 1.38 0.00 1.22 3.07 -1.36 -3.02 117.51 118.40 2pru h ILE 11 Ca -0.02 -1.86 -0.06 0.00 1.55 0.00 0.00 64.86 64.48 2pru h ILE 11 Cb 0.32 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 2pru h ILE 11 CO 0.03 0.54 -0.61 -0.78 -1.05 0.00 0.00 178.15 176.28 2pru h ASP 12 N 0.12 0.00 0.00 2.16 3.58 -0.49 -3.22 116.42 118.58 2pru h ASP 12 Ca -0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2pru h ASP 12 Cb 1.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.04 2pru h ASP 12 CO 0.08 0.24 -0.20 1.62 -2.88 0.00 0.00 179.24 178.11 2pru h VAL 13 N 0.00 1.23 0.00 2.25 3.04 -0.97 0.29 116.25 122.09 2pru h VAL 13 Ca -0.03 -1.06 -0.06 0.00 -1.01 0.00 0.00 66.70 64.54 2pru h VAL 13 Cb 1.21 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2pru h VAL 13 CO 0.03 0.33 -0.29 -0.26 -1.01 0.00 0.00 177.57 176.37 2pru h PHE 14 N 0.32 0.00 0.00 3.17 0.04 -1.59 -1.72 116.94 117.16 2pru h PHE 14 Ca 0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2pru h PHE 14 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2pru h PHE 14 CO 0.01 0.29 -0.16 1.25 -0.60 0.00 0.00 178.31 179.10 2pru h HIS 15 N 0.00 0.16 -0.69 -0.55 2.76 -1.14 -3.29 115.15 112.39 2pru h HIS 15 Ca -0.00 -0.09 0.11 0.00 -2.20 0.00 0.00 60.37 58.19 2pru h HIS 15 Cb 0.54 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 29.40 2pru h HIS 15 CO 0.00 0.91 0.27 1.96 -1.30 0.00 0.00 177.93 179.77 2pru h GLN 16 N -0.64 0.43 -5.29 5.26 4.20 -0.39 -3.07 115.11 115.61 2pru h GLN 16 Ca -0.02 -0.03 -0.71 0.00 0.06 0.00 0.00 58.65 57.95 2pru h GLN 16 Cb 0.96 -0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.51 2pru h GLN 16 CO 0.03 0.29 1.76 0.71 -0.67 0.00 0.00 178.83 180.95 2pru s TYR 17 N -6.06 3.15 -0.56 2.96 1.51 -0.66 -4.94 117.35 112.75 2pru s TYR 17 Ca -0.13 -1.88 -0.28 0.00 -1.01 0.00 0.00 57.07 53.78 2pru s TYR 17 Cb 0.19 -4.53 0.01 0.00 -0.11 0.00 0.00 41.96 37.52 2pru s TYR 17 CO 0.76 -1.60 1.46 -1.12 -1.11 0.00 0.00 175.55 173.93 2pru s SER 18 N 3.52 6.06 0.68 2.29 0.01 -1.16 -4.82 113.70 120.27 2pru s SER 18 Ca 0.48 0.31 -0.11 0.00 1.31 0.00 0.00 55.95 57.94 2pru s SER 18 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2pru s SER 18 CO 0.04 -1.76 1.07 -0.83 0.41 0.00 0.00 173.24 172.17 2pru s GLY 19 N 4.71 1.64 0.28 3.44 0.00 -1.26 -4.78 107.32 111.35 2pru s GLY 19 Ca 0.54 -0.21 0.06 0.00 0.00 0.00 0.00 44.72 45.10 2pru s GLY 19 CO 0.25 0.12 1.68 0.07 0.00 0.00 0.00 173.10 175.21 2pru h ARG 20 N -0.55 0.27 0.00 2.90 -0.00 -1.94 -0.34 114.38 114.72 2pru h ARG 20 Ca -0.45 -0.13 0.00 0.00 -0.00 0.00 0.00 59.98 59.40 2pru h ARG 20 Cb 1.23 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 2pru h ARG 20 CO 0.62 0.65 -1.18 -1.91 -0.00 0.00 0.00 179.97 178.16 2pru n GLU 21 N -4.01 0.28 0.13 0.08 2.13 -1.26 -4.58 120.64 113.40 2pru n GLU 21 Ca -0.02 -0.04 -0.13 0.00 0.66 0.00 0.00 57.16 57.63 2pru n GLU 21 Cb 0.49 -1.10 -0.07 0.00 0.27 0.00 0.00 31.44 31.03 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 0.82 -0.26 -7.74 8.31 0.00 -1.61 -3.00 103.07 99.59 2pru h GLY 22 Ca 0.00 0.11 -0.69 0.00 0.00 0.00 0.00 47.33 46.75 2pru h GLY 22 CO 0.00 -0.10 1.87 -0.35 0.00 0.00 0.00 176.54 177.96 2pru s ASP 23 N -4.97 6.86 0.01 0.19 -1.08 -0.14 -2.20 116.67 115.35 2pru s ASP 23 Ca -0.14 -2.49 0.00 0.00 -0.52 0.00 0.00 52.55 49.39 2pru s ASP 23 Cb 0.06 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 2pru s ASP 23 CO 0.65 -1.08 0.00 1.17 0.52 0.00 0.00 175.17 176.43 2pru n LYS 24 N 7.65 0.00 -2.67 4.34 0.00 -1.19 -4.83 118.16 121.46 2pru n LYS 24 Ca 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.71 2pru n LYS 24 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.52 2pru n LYS 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2pru n HIS 25 N -2.21 -0.70 -1.22 5.64 -0.00 -1.14 -5.14 115.22 110.45 2pru n HIS 25 Ca 0.00 -0.66 0.16 0.00 -0.00 0.00 0.00 57.72 57.22 2pru n HIS 25 Cb 0.00 1.09 -0.05 0.00 -0.00 0.00 0.00 29.99 31.03 2pru n HIS 25 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2pru n LYS 26 N 2.52 -2.55 -4.62 1.57 4.76 -0.93 -4.86 118.16 114.05 2pru n LYS 26 Ca 0.11 1.80 -0.34 0.00 -2.87 0.00 0.00 58.31 57.02 2pru n LYS 26 Cb 0.65 -3.07 -0.12 0.00 -1.84 0.00 0.00 35.03 30.65 2pru n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2pru s LEU 27 N -6.63 3.14 0.59 -0.35 1.02 -1.22 -3.62 118.68 111.62 2pru s LEU 27 Ca 0.00 -0.05 -0.18 0.00 0.02 0.00 0.00 54.13 53.92 2pru s LEU 27 Cb 0.00 -1.69 -0.08 0.00 0.02 0.00 0.00 46.19 44.43 2pru s LEU 27 CO 0.00 0.33 0.48 1.17 0.02 0.00 0.00 176.35 178.35 2pru n LYS 28 N 2.43 0.45 0.17 1.70 3.00 -1.26 -0.48 118.16 124.17 2pru n LYS 28 Ca -0.18 0.18 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2pru n LYS 28 Cb 0.53 -1.67 0.32 0.00 0.00 0.00 0.00 35.03 34.21 2pru n LYS 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2pru h LYS 29 N 0.13 0.02 -0.05 1.64 1.57 -1.86 -1.48 116.57 116.53 2pru h LYS 29 Ca -0.45 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.29 2pru h LYS 29 Cb 1.39 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 2pru h LYS 29 CO 0.46 0.43 -0.12 0.77 -0.57 0.00 0.00 179.45 180.42 2pru h SER 30 N 0.02 0.06 0.75 0.86 0.02 -1.91 -1.55 113.55 111.80 2pru h SER 30 Ca -0.00 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.76 2pru h SER 30 Cb 0.73 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2pru h SER 30 CO 0.05 0.19 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.77 2pru h GLU 31 N 0.07 0.06 0.00 3.45 4.39 -1.63 -2.95 114.58 117.97 2pru h GLU 31 Ca 0.01 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2pru h GLU 31 Cb 0.25 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2pru h GLU 31 CO 0.02 0.85 -0.20 1.25 -1.16 0.00 0.00 179.01 179.77 2pru h LEU 32 N 0.03 0.00 -0.13 1.33 7.12 -0.99 -2.44 115.31 120.24 2pru h LEU 32 Ca -0.02 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.02 2pru h LEU 32 Cb 1.46 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.56 2pru h LEU 32 CO 0.11 0.20 -0.06 0.50 -0.13 0.00 0.00 178.44 179.06 2pru h LYS 33 N 0.00 -0.05 0.00 1.25 3.11 -1.32 0.20 116.57 119.76 2pru h LYS 33 Ca -0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 2pru h LYS 33 Cb 0.37 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.60 2pru h LYS 33 CO 0.03 -0.03 -0.16 0.93 -2.81 0.00 0.00 179.45 177.40 2pru h GLU 34 N -0.05 0.00 -0.01 1.90 5.08 -1.58 -2.67 114.58 117.24 2pru h GLU 34 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2pru h GLU 34 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2pru h GLU 34 CO -0.16 0.16 -0.25 1.25 -1.00 0.00 0.00 179.01 179.01 2pru h LEU 35 N 0.00 0.25 -1.42 1.33 5.85 -0.79 -3.15 115.31 117.38 2pru h LEU 35 Ca -0.00 -0.74 -0.05 0.00 0.84 0.00 0.00 57.88 57.94 2pru h LEU 35 Cb 0.69 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2pru h LEU 35 CO 0.02 0.95 -0.10 0.16 -0.34 0.00 0.00 178.44 179.13 2pru h ILE 36 N -0.43 1.17 -0.88 4.05 3.07 -0.60 0.43 117.51 124.32 2pru h ILE 36 Ca -0.03 -0.73 0.06 0.00 1.55 0.00 0.00 64.86 65.71 2pru h ILE 36 Cb 0.98 1.16 -0.06 0.00 -0.27 0.00 0.00 36.82 38.63 2pru h ILE 36 CO 0.05 0.23 0.55 -1.13 -1.05 0.00 0.00 178.15 176.80 2pru h ASN 37 N 0.25 0.87 0.00 2.16 -0.73 -1.53 -2.58 115.58 114.01 2pru h ASN 37 Ca 0.05 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2pru h ASN 37 Cb 0.34 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.77 2pru h ASN 37 CO 0.02 0.55 -0.56 -3.20 -0.37 0.00 0.00 177.43 173.87 2pru n ASN 38 N -4.60 1.54 -3.95 1.15 2.85 -0.63 -4.41 115.26 107.20 2pru n ASN 38 Ca 0.13 0.47 -0.39 0.00 -0.11 0.00 0.00 54.58 54.69 2pru n ASN 38 Cb 0.18 -0.77 -0.02 0.00 1.24 0.00 0.00 39.78 40.40 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 -4.19 3.59 0.05 1.20 4.07 0.14 -4.13 120.64 121.38 2pru n GLU 39 Ca -0.08 -4.55 0.00 0.00 -0.06 0.00 0.00 57.16 52.47 2pru n GLU 39 Cb 0.29 -2.44 0.00 0.00 -0.06 0.00 0.00 31.44 29.23 2pru n GLU 39 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2pru n LEU 40 N 1.60 -0.95 -4.55 4.31 0.00 -1.22 -4.51 117.00 111.68 2pru n LEU 40 Ca 0.26 0.56 -0.28 0.00 0.00 0.00 0.00 56.01 56.55 2pru n LEU 40 Cb 0.36 1.24 -0.05 0.00 0.00 0.00 0.00 43.42 44.97 2pru n LEU 40 CO 0.55 0.06 1.75 -1.20 0.00 0.00 0.00 177.39 178.56 2pru n SER 41 N -3.04 2.00 -3.62 1.96 7.64 -0.97 -4.81 113.62 112.78 2pru n SER 41 Ca 0.00 -0.84 -0.01 0.00 1.01 0.00 0.00 58.87 59.02 2pru n SER 41 Cb 0.00 -1.58 -0.04 0.00 -1.01 0.00 0.00 64.21 61.58 2pru n SER 41 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pru s HIS 42 N 12.88 -1.33 -1.12 1.43 5.04 -1.26 -4.91 115.29 126.03 2pru s HIS 42 Ca 0.98 2.24 -0.02 0.00 -1.54 0.00 0.00 55.06 56.73 2pru s HIS 42 Cb -0.21 0.76 -0.02 0.00 0.04 0.00 0.00 32.58 33.15 2pru s HIS 42 CO 0.21 -0.67 0.95 1.19 -2.34 0.00 0.00 174.74 174.08 2pru n PHE 43 N 5.44 -2.23 -2.62 3.88 3.72 -1.26 -4.92 117.46 119.47 2pru n PHE 43 Ca -0.11 0.89 -0.42 0.00 -0.05 0.00 0.00 57.45 57.75 2pru n PHE 43 Cb 0.49 -4.69 -0.01 0.00 -0.94 0.00 0.00 39.48 34.33 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 -5.92 3.86 -0.22 4.37 1.43 -1.26 -4.68 118.68 116.26 2pru s LEU 44 Ca 0.16 -2.03 -0.17 0.00 -1.03 0.00 0.00 54.13 51.06 2pru s LEU 44 Cb -0.02 -2.55 -0.13 0.00 0.03 0.00 0.00 46.19 43.52 2pru s LEU 44 CO 0.71 -1.28 -0.10 -0.62 0.23 0.00 0.00 176.35 175.30 2pru n GLU 45 N 8.28 0.55 -0.09 1.70 1.02 -1.26 -4.56 120.64 126.28 2pru n GLU 45 Ca 0.39 0.43 -0.07 0.00 -0.02 0.00 0.00 57.16 57.89 2pru n GLU 45 Cb 0.48 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2pru n GLU 45 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2pru h GLU 46 N -1.00 0.27 -4.64 3.49 5.08 -2.00 -3.47 114.58 112.31 2pru h GLU 46 Ca -0.37 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2pru h GLU 46 Cb 1.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2pru h GLU 46 CO -0.22 0.18 -0.04 -0.89 -1.00 0.00 0.00 179.01 177.04 2pru n ILE 47 N -5.00 -7.48 -1.30 3.13 2.08 -1.26 -4.97 119.36 104.55 2pru n ILE 47 Ca 0.00 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.23 2pru n ILE 47 Cb 0.10 -5.93 0.00 0.00 -0.75 0.00 0.00 39.64 33.06 2pru n ILE 47 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2pru n LYS 48 N -1.40 0.00 0.06 0.38 3.00 -1.26 -4.80 118.16 114.14 2pru n LYS 48 Ca 0.01 -0.41 0.12 0.00 -0.00 0.00 0.00 58.31 58.03 2pru n LYS 48 Cb 0.48 -0.38 0.14 0.00 0.00 0.00 0.00 35.03 35.27 2pru n LYS 48 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2pru h GLU 49 N 0.00 0.00 -1.14 1.64 9.09 -1.94 -3.30 114.58 118.93 2pru h GLU 49 Ca 0.00 0.00 0.33 0.00 0.05 0.00 0.00 59.36 59.74 2pru h GLU 49 Cb 1.02 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.08 2pru h GLU 49 CO 0.00 0.00 0.82 -0.56 0.05 0.00 0.00 179.01 179.32 2pru h GLN 50 N 0.00 0.00 0.02 1.06 3.07 -1.92 0.72 115.11 118.06 2pru h GLN 50 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2pru h GLN 50 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.32 2pru h GLN 50 CO 0.00 0.00 -0.01 1.49 0.09 0.00 0.00 178.83 180.40 2pru h GLU 51 N 0.00 -0.03 -0.04 0.06 4.22 -1.97 -3.31 114.58 113.51 2pru h GLU 51 Ca 0.54 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.85 2pru h GLU 51 Cb 2.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.42 2pru h GLU 51 CO -0.01 0.10 -0.61 0.28 -2.18 0.00 0.00 179.01 176.59 2pru h VAL 52 N -1.01 1.41 -0.47 0.32 2.07 -1.43 -2.93 116.25 114.22 2pru h VAL 52 Ca -0.00 -2.02 -0.13 0.00 0.82 0.00 0.00 66.70 65.36 2pru h VAL 52 Cb 0.14 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2pru h VAL 52 CO 0.01 0.59 -0.23 0.58 0.02 0.00 0.00 177.57 178.54 2pru h VAL 53 N 0.10 1.27 -0.44 2.57 2.07 0.21 0.39 116.25 122.42 2pru h VAL 53 Ca -0.01 -1.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 2pru h VAL 53 Cb 1.09 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2pru h VAL 53 CO 0.09 0.48 -0.12 -0.78 0.02 0.00 0.00 177.57 177.26 2pru h ASP 54 N 0.83 0.80 0.85 0.57 1.82 -1.62 -1.85 116.42 117.81 2pru h ASP 54 Ca 0.11 -0.24 -0.10 0.00 -0.39 0.00 0.00 57.03 56.40 2pru h ASP 54 Cb 0.80 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 2pru h ASP 54 CO 0.07 0.93 -0.47 0.11 -1.61 0.00 0.00 179.24 178.27 2pru h LYS 55 N 0.72 0.00 -0.23 0.28 1.57 -1.30 -1.45 116.57 116.17 2pru h LYS 55 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 2pru h LYS 55 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2pru h LYS 55 CO 0.04 0.47 -0.48 -0.24 -0.57 0.00 0.00 179.45 178.67 2pru h VAL 56 N 0.00 1.31 -0.50 0.50 3.04 0.30 0.22 116.25 121.12 2pru h VAL 56 Ca -0.00 -1.68 -0.12 0.00 -1.01 0.00 0.00 66.70 63.88 2pru h VAL 56 Cb 1.02 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 31.92 2pru h VAL 56 CO 0.06 0.53 -0.17 0.24 -1.01 0.00 0.00 177.57 177.22 2pru h MET 57 N 0.48 1.00 0.84 4.17 2.86 -1.07 0.14 114.93 123.35 2pru h MET 57 Ca 0.03 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.22 2pru h MET 57 Cb 1.01 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.63 2pru h MET 57 CO 0.09 1.09 -0.40 1.49 1.06 0.00 0.00 176.91 180.24 2pru h GLU 58 N 0.86 -1.09 -0.51 1.72 4.81 -1.03 -2.50 114.58 116.84 2pru h GLU 58 Ca 0.12 0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2pru h GLU 58 Cb 0.75 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2pru h GLU 58 CO 0.06 -0.72 0.11 1.79 -0.73 0.00 0.00 179.01 179.51 2pru h THR 59 N -1.16 1.25 -0.59 0.32 1.35 -0.93 0.25 112.91 113.40 2pru h THR 59 Ca -0.12 -0.89 0.10 0.00 -0.55 0.00 0.00 66.41 64.95 2pru h THR 59 Cb 0.87 0.85 -0.08 0.00 -1.73 0.00 0.00 68.15 68.06 2pru h THR 59 CO 0.19 0.32 0.19 0.25 -0.25 0.00 0.00 175.52 176.22 2pru h LEU 60 N 0.71 0.14 0.20 3.87 5.85 -0.99 0.18 115.31 125.26 2pru h LEU 60 Ca 0.16 0.09 -0.28 0.00 0.84 0.00 0.00 57.88 58.68 2pru h LEU 60 Cb 0.36 0.09 0.03 0.00 0.37 0.00 0.00 40.66 41.51 2pru h LEU 60 CO 0.01 0.09 -1.28 -0.78 -0.34 0.00 0.00 178.44 176.13 2pru h ASP 61 N 0.35 0.66 -0.70 1.25 3.58 -1.24 -1.79 116.42 118.54 2pru h ASP 61 Ca 0.30 -0.93 0.02 0.00 0.42 0.00 0.00 57.03 56.84 2pru h ASP 61 Cb 0.40 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 2pru h ASP 61 CO -0.33 1.61 0.46 -1.13 -2.88 0.00 0.00 179.24 176.96 2pru h ASN 62 N -0.07 0.78 0.00 2.28 -1.24 -0.24 -3.32 115.58 113.76 2pru h ASN 62 Ca -0.23 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.76 2pru h ASN 62 Cb 1.95 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.82 2pru h ASN 62 CO 0.21 0.55 0.00 -0.67 -1.29 0.00 0.00 177.43 176.23 2pru n ASP 63 N -4.62 0.00 -2.99 1.15 -0.08 0.59 -4.90 116.55 105.71 2pru n ASP 63 Ca 0.07 0.19 -0.15 0.00 -1.51 0.00 0.00 54.79 53.39 2pru n ASP 63 Cb 0.04 -0.13 -0.01 0.00 2.34 0.00 0.00 41.12 43.36 2pru n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pru n GLY 64 N 1.99 -0.48 0.00 0.27 0.00 -0.67 -4.91 105.19 101.39 2pru n GLY 64 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.94 0.00 -3.19 1.61 -0.08 -1.26 -4.57 116.55 107.12 2pru n ASP 65 Ca -0.03 0.44 -0.21 0.00 -1.51 0.00 0.00 54.79 53.48 2pru n ASP 65 Cb 0.54 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.95 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 -0.52 3.30 1.24 0.27 0.00 -1.26 -5.09 105.19 103.13 2pru n GLY 66 Ca 0.00 -1.66 0.17 0.00 0.00 0.00 0.00 46.02 44.53 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 0.79 -2.52 -3.79 1.61 -0.58 -1.26 -5.01 120.64 109.88 2pru n GLU 67 Ca 0.23 1.69 -0.11 0.00 -0.42 0.00 0.00 57.16 58.56 2pru n GLU 67 Cb 0.60 -3.06 -0.07 0.00 -0.57 0.00 0.00 31.44 28.33 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pru n ASP 69 N 0.45 2.79 -0.35 0.00 2.03 -1.26 -3.46 116.55 116.75 2pru n ASP 69 Ca -0.18 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.18 2pru n ASP 69 Cb 0.60 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 41.13 2pru n ASP 69 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 2pru h PHE 70 N 0.00 -0.54 0.40 -0.67 -0.00 -1.96 0.20 116.94 114.36 2pru h PHE 70 Ca 0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 57.97 58.04 2pru h PHE 70 Cb 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 35.95 36.34 2pru h PHE 70 CO 0.00 -0.42 -0.19 1.96 -0.00 0.00 0.00 178.31 179.66 2pru h GLN 71 N -0.00 -0.52 -0.01 6.09 4.20 -2.00 -2.30 115.11 120.57 2pru h GLN 71 Ca 0.46 0.04 -0.19 0.00 0.06 0.00 0.00 58.65 59.01 2pru h GLN 71 Cb 0.70 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2pru h GLN 71 CO -1.00 -0.28 -0.84 0.93 -0.67 0.00 0.00 178.83 176.98 2pru h GLU 72 N -0.66 0.23 0.24 1.46 5.08 -1.83 -2.45 114.58 116.65 2pru h GLU 72 Ca -0.05 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2pru h GLU 72 Cb 0.48 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2pru h GLU 72 CO 0.09 0.94 -0.38 0.35 -1.00 0.00 0.00 179.01 179.01 2pru h PHE 73 N 0.13 -1.03 -0.96 4.33 3.04 -0.55 0.14 116.94 122.04 2pru h PHE 73 Ca -0.04 0.02 0.05 0.00 3.98 0.00 0.00 57.97 61.97 2pru h PHE 73 Cb 1.45 0.42 -0.06 0.00 2.56 0.00 0.00 35.95 40.32 2pru h PHE 73 CO 0.03 -0.50 0.62 1.98 -2.02 0.00 0.00 178.31 178.42 2pru h MET 74 N -0.69 1.13 0.02 1.11 4.05 -1.41 -0.42 114.93 118.72 2pru h MET 74 Ca -0.00 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2pru h MET 74 Cb 0.67 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2pru h MET 74 CO -0.14 0.75 -0.01 0.00 0.23 0.00 0.00 176.91 177.74 2pru h ALA 75 N 1.41 -0.02 -0.12 0.39 0.00 -0.92 -1.58 119.26 118.41 2pru h ALA 75 Ca 0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2pru h ALA 75 Cb 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pru h ALA 75 CO -0.14 -0.42 0.02 0.74 0.00 0.00 0.00 179.25 179.45 2pru h PHE 76 N -0.21 0.22 0.07 0.00 0.04 -0.33 -2.83 116.94 113.89 2pru h PHE 76 Ca -0.00 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2pru h PHE 76 Cb 0.20 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2pru h PHE 76 CO -0.01 0.38 -0.03 -0.24 -0.60 0.00 0.00 178.31 177.81 2pru h VAL 77 N -0.01 1.12 0.00 -0.55 3.04 -1.10 -2.21 116.25 116.54 2pru h VAL 77 Ca 0.04 -0.65 -0.02 0.00 -1.01 0.00 0.00 66.70 65.05 2pru h VAL 77 Cb 0.28 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2pru h VAL 77 CO 0.00 0.16 -0.12 0.00 -1.01 0.00 0.00 177.57 176.61 2pru h ALA 78 N 0.52 1.10 0.21 3.17 0.00 -1.37 0.10 119.26 122.99 2pru h ALA 78 Ca -0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 2pru h ALA 78 Cb 0.34 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2pru h ALA 78 CO 0.02 0.15 -1.42 0.00 0.00 0.00 0.00 179.25 177.99 2pru h MET 79 N 0.00 0.44 -0.06 0.00 -0.00 -1.42 0.99 114.93 114.87 2pru h MET 79 Ca -0.00 -0.75 -0.19 0.00 -0.00 0.00 0.00 59.70 58.76 2pru h MET 79 Cb 0.48 0.28 -0.01 0.00 -0.00 0.00 0.00 31.60 32.36 2pru h MET 79 CO 0.02 1.35 -0.76 -0.39 -0.00 0.00 0.00 176.91 177.13 2pru h VAL 80 N 0.12 1.40 0.13 -0.10 -1.51 -0.74 -1.83 116.25 113.71 2pru h VAL 80 Ca -0.22 -2.21 -0.26 0.00 -1.23 0.00 0.00 66.70 62.77 2pru h VAL 80 Cb 2.10 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 33.44 2pru h VAL 80 CO 0.25 0.66 -1.30 0.74 -1.23 0.00 0.00 177.57 176.68 2pru h THR 81 N 0.24 1.13 0.00 7.19 2.02 -0.92 -3.42 112.91 119.15 2pru h THR 81 Ca -0.03 -2.44 -0.22 0.00 0.77 0.00 0.00 66.41 64.49 2pru h THR 81 Cb 1.34 2.82 -0.03 0.00 -1.74 0.00 0.00 68.15 70.54 2pru h THR 81 CO 0.13 0.71 -1.72 0.41 0.37 0.00 0.00 175.52 175.42 2pru n THR 82 N -3.95 0.70 0.32 3.16 -1.04 0.14 -4.67 114.28 108.93 2pru n THR 82 Ca -0.22 -0.18 0.04 0.00 -2.04 0.00 0.00 64.05 61.64 2pru n THR 82 Cb 0.90 -1.64 0.18 0.00 -1.82 0.00 0.00 70.33 67.94 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 -3.54 1.45 0.31 2.41 0.00 -0.03 -1.25 120.51 119.86 2pru n ALA 83 Ca -0.25 -0.03 0.19 0.00 0.00 0.00 0.00 53.44 53.35 2pru n ALA 83 Cb 0.68 -1.12 1.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.39 0.00 0.00 0.00 1.44 -0.38 -5.00 115.22 107.89 2pru n HIS 85 Ca -0.03 -0.70 0.00 0.00 -2.01 0.00 0.00 57.72 54.99 2pru n HIS 85 Cb 0.11 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.06 2pru n HIS 85 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2pru n GLU 86 N -0.08 0.00 0.00 -1.40 -0.58 -0.81 -4.04 120.64 113.73 2pru n GLU 86 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2pru n GLU 86 Cb 0.94 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.81 2pru n GLU 86 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2pru n PHE 87 N 0.00 0.00 -0.25 -0.32 3.72 -1.26 -3.42 117.46 115.92 2pru n PHE 87 Ca 0.00 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.63 2pru n PHE 87 Cb 0.00 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.70 0.65 0.15 1.38 3.72 -1.26 0.92 117.46 122.33 2pru n PHE 88 Ca 0.00 0.65 0.04 0.00 -0.05 0.00 0.00 57.45 58.09 2pru n PHE 88 Cb 0.00 -1.07 0.46 0.00 -0.94 0.00 0.00 39.48 37.93 2pru n PHE 88 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2pru h GLU 89 N 0.00 0.18 0.00 -1.08 3.07 -1.96 -3.35 114.58 111.44 2pru h GLU 89 Ca 0.57 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 2pru h GLU 89 Cb 1.65 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 2pru h GLU 89 CO -0.43 0.27 -0.38 1.58 -1.40 0.00 0.00 179.01 178.66 2pru n HIS 90 N -4.35 0.00 -0.56 4.33 -0.00 0.26 -5.27 115.22 109.63 2pru n HIS 90 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2pru n HIS 90 Cb 0.21 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43