#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puk n LYS 9 N 0.00 0.64 -0.04 3.52 2.85 -1.26 -3.82 118.16 120.06 2puk n LYS 9 Ca 0.00 0.10 -0.14 0.00 -1.05 0.00 0.00 58.31 57.21 2puk n LYS 9 Cb 0.00 -1.69 -0.09 0.00 -0.65 0.00 0.00 35.03 32.60 2puk n LYS 9 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2puk h THR 10 N 0.00 1.42 -0.73 0.58 2.02 -1.98 -2.01 112.91 112.20 2puk h THR 10 Ca -0.23 -1.62 0.06 0.00 0.77 0.00 0.00 66.41 65.39 2puk h THR 10 Cb 1.66 2.25 -0.06 0.00 -1.74 0.00 0.00 68.15 70.26 2puk h THR 10 CO 0.03 0.46 0.43 0.25 0.37 0.00 0.00 175.52 177.07 2puk h LEU 11 N -0.16 0.65 -0.97 2.58 5.85 -1.93 0.15 115.31 121.48 2puk h LEU 11 Ca -0.01 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2puk h LEU 11 Cb 0.88 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2puk h LEU 11 CO 0.05 0.42 0.31 0.00 -0.34 0.00 0.00 178.44 178.88 2puk h ALA 12 N 1.36 1.19 -0.46 1.25 0.00 -1.65 0.29 119.26 121.23 2puk h ALA 12 Ca 0.32 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2puk h ALA 12 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2puk h ALA 12 CO -0.18 0.60 -0.14 0.00 0.00 0.00 0.00 179.25 179.53 2puk h ALA 13 N 1.30 0.64 -0.11 0.00 0.00 -0.56 -2.24 119.26 118.30 2puk h ALA 13 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2puk h ALA 13 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2puk h ALA 13 CO -0.03 0.57 -0.01 1.98 0.00 0.00 0.00 179.25 181.77 2puk h MET 14 N 0.76 0.20 -0.55 0.00 -1.53 -0.35 -2.45 114.93 111.01 2puk h MET 14 Ca 0.11 -0.07 0.11 0.00 -3.44 0.00 0.00 59.70 56.41 2puk h MET 14 Cb 0.70 -0.02 -0.11 0.00 -0.55 0.00 0.00 31.60 31.63 2puk h MET 14 CO 0.05 0.47 -0.21 -0.22 0.14 0.00 0.00 176.91 177.14 2puk h LYS 15 N -0.09 -0.08 -0.76 0.39 3.64 -0.42 -1.86 116.57 117.39 2puk h LYS 15 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2puk h LYS 15 Cb 0.38 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2puk h LYS 15 CO 0.01 -0.05 0.48 -0.91 -2.27 0.00 0.00 179.45 176.71 2puk h ASN 16 N -0.08 0.90 -0.30 4.20 2.35 -1.29 -1.66 115.58 119.69 2puk h ASN 16 Ca 0.25 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2puk h ASN 16 Cb 0.48 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2puk h ASN 16 CO -0.60 0.67 0.15 0.15 -1.65 0.00 0.00 177.43 176.15 2puk h PHE 17 N 1.04 0.42 -0.47 1.19 3.57 -0.94 0.65 116.94 122.40 2puk h PHE 17 Ca 0.28 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 2puk h PHE 17 Cb -0.08 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2puk h PHE 17 CO -0.01 0.36 0.31 0.00 -2.23 0.00 0.00 178.31 176.73 2puk h ALA 18 N 1.02 0.59 -0.01 2.41 0.00 -1.09 0.21 119.26 122.39 2puk h ALA 18 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2puk h ALA 18 Cb 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2puk h ALA 18 CO -0.01 0.04 -0.00 0.93 0.00 0.00 0.00 179.25 180.20 2puk h GLU 19 N 0.63 0.02 -0.13 0.00 5.08 -1.14 -1.57 114.58 117.48 2puk h GLU 19 Ca 0.17 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2puk h GLU 19 Cb -0.07 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2puk h GLU 19 CO -0.04 0.33 0.06 1.96 -1.00 0.00 0.00 179.01 180.32 2puk h GLN 20 N -0.30 0.18 -0.70 2.33 4.20 -0.79 -3.00 115.11 117.03 2puk h GLN 20 Ca 0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2puk h GLN 20 Cb 0.32 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2puk h GLN 20 CO 0.00 0.24 0.17 -0.92 -0.67 0.00 0.00 178.83 177.64 2puk h TYR 21 N 0.08 1.16 -0.31 2.96 3.20 -0.61 -2.07 116.97 121.38 2puk h TYR 21 Ca 0.04 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.81 2puk h TYR 21 Cb 0.12 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 2puk h TYR 21 CO -0.03 0.94 0.12 0.00 -1.64 0.00 0.00 178.16 177.56 2puk h ALA 22 N 1.12 0.37 -0.83 1.82 0.00 -1.28 -2.26 119.26 118.20 2puk h ALA 22 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2puk h ALA 22 Cb 0.37 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2puk h ALA 22 CO 0.00 -0.27 0.47 0.87 0.00 0.00 0.00 179.25 180.32 2puk h LYS 23 N 0.27 1.15 0.00 0.00 1.57 -1.37 -1.06 116.57 117.12 2puk h LYS 23 Ca 0.14 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2puk h LYS 23 Cb 0.09 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2puk h LYS 23 CO -0.13 0.83 0.00 -2.13 -0.57 0.00 0.00 179.45 177.46 2puk n ARG 24 N -4.41 0.07 0.00 3.15 0.63 -0.79 -3.33 116.66 111.98 2puk n ARG 24 Ca 0.08 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 2puk n ARG 24 Cb 0.08 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.37 2puk n ARG 24 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2puk n THR 25 N -1.75 0.00 -2.65 5.15 -2.24 -0.89 -5.02 114.28 106.87 2puk n THR 25 Ca 0.04 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 2puk n THR 25 Cb 0.23 1.14 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2puk n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2puk n ASP 26 N -0.19 -4.33 -4.59 3.42 8.00 -0.71 -5.04 116.55 113.11 2puk n ASP 26 Ca 0.00 -0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.08 2puk n ASP 26 Cb 0.03 -3.25 -0.09 0.00 -0.02 0.00 0.00 41.12 37.79 2puk n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2puk s THR 27 N -2.89 3.31 0.12 -3.53 -4.23 -0.48 -4.52 115.64 103.43 2puk s THR 27 Ca 0.16 -1.60 0.08 0.00 -1.18 0.00 0.00 61.69 59.15 2puk s THR 27 Cb -0.07 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 2puk s THR 27 CO 0.20 -0.11 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.67 2puk s TYR 28 N -1.70 1.77 0.72 3.99 1.51 0.15 -4.36 117.35 119.43 2puk s TYR 28 Ca 0.25 -0.44 -0.11 0.00 -1.01 0.00 0.00 57.07 55.76 2puk s TYR 28 Cb -0.09 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 2puk s TYR 28 CO 0.16 0.24 1.07 -0.06 -1.11 0.00 0.00 175.55 175.85 2puk s PHE 29 N -1.50 3.04 0.44 2.71 2.99 -0.59 -1.94 117.98 123.13 2puk s PHE 29 Ca 0.09 1.37 -0.24 0.00 0.00 0.00 0.00 56.93 58.16 2puk s PHE 29 Cb -0.08 -2.93 -0.09 0.00 0.00 0.00 0.00 43.02 39.91 2puk s PHE 29 CO 0.05 -1.35 1.15 0.00 -0.00 0.00 0.00 175.22 175.06 2puk h SER 31 N 1.70 0.00 -4.00 0.00 4.64 -1.23 -3.26 113.55 111.40 2puk h SER 31 Ca -0.47 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.12 2puk h SER 31 Cb 1.32 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.09 2puk h SER 31 CO 0.58 0.00 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.73 2puk s ASP 32 N -4.28 5.84 0.65 4.97 2.15 -1.26 -4.95 116.67 119.79 2puk s ASP 32 Ca 0.02 -2.78 0.42 0.00 0.43 0.00 0.00 52.55 50.65 2puk s ASP 32 Cb 0.09 -2.00 2.29 0.00 -0.30 0.00 0.00 42.92 43.00 2puk s ASP 32 CO 0.35 -0.45 2.33 -0.07 -0.17 0.00 0.00 175.17 177.16 2puk h LEU 33 N 7.35 0.00 -1.94 -1.34 3.38 -1.96 0.27 115.31 121.07 2puk h LEU 33 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2puk h LEU 33 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2puk h LEU 33 CO 0.73 0.00 0.05 0.77 0.09 0.00 0.00 178.44 180.09 2puk h SER 34 N 0.00 0.07 -0.13 -0.43 4.64 -1.92 0.31 113.55 116.09 2puk h SER 34 Ca -0.00 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2puk h SER 34 Cb 0.05 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2puk h SER 34 CO 0.00 0.05 -0.07 0.58 -0.87 0.00 0.00 176.83 176.53 2puk h VAL 35 N 0.09 1.32 -0.76 0.95 2.07 -1.32 -1.16 116.25 117.44 2puk h VAL 35 Ca 0.03 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.47 2puk h VAL 35 Cb 0.01 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2puk h VAL 35 CO -0.01 0.32 0.48 0.74 0.02 0.00 0.00 177.57 179.13 2puk h THR 36 N -0.08 1.12 -0.39 2.57 2.02 -1.41 -2.53 112.91 114.22 2puk h THR 36 Ca 0.03 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2puk h THR 36 Cb 0.53 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2puk h THR 36 CO 0.02 0.17 0.25 0.00 0.37 0.00 0.00 175.52 176.34 2puk h ALA 37 N 1.32 0.49 0.06 6.16 0.00 -0.34 -2.01 119.26 124.94 2puk h ALA 37 Ca 0.30 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2puk h ALA 37 Cb -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2puk h ALA 37 CO -0.10 -0.05 -0.18 0.28 0.00 0.00 0.00 179.25 179.20 2puk h VAL 38 N 0.52 0.58 0.43 0.00 2.07 -0.90 -2.19 116.25 116.76 2puk h VAL 38 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2puk h VAL 38 Cb -0.05 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2puk h VAL 38 CO -0.03 0.00 -0.38 0.58 0.02 0.00 0.00 177.57 177.76 2puk h VAL 39 N -0.33 0.24 -0.61 2.57 2.07 -1.31 -0.88 116.25 118.00 2puk h VAL 39 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 2puk h VAL 39 Cb 0.37 0.24 -0.11 0.00 -1.52 0.00 0.00 31.29 30.26 2puk h VAL 39 CO -0.13 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.76 2puk h ILE 40 N -0.81 0.43 -0.45 4.57 2.04 -1.32 0.23 117.51 122.18 2puk h ILE 40 Ca -0.04 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2puk h ILE 40 Cb 0.71 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2puk h ILE 40 CO -0.03 0.01 0.14 -0.08 0.00 0.00 0.00 178.15 178.18 2puk h GLU 41 N 0.04 0.67 -0.30 2.37 4.57 -1.09 -0.46 114.58 120.37 2puk h GLU 41 Ca 0.30 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 58.24 2puk h GLU 41 Cb 0.48 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 2puk h GLU 41 CO -0.59 0.59 -0.37 0.78 -1.18 0.00 0.00 179.01 178.23 2puk h GLY 42 N 0.84 0.75 1.06 1.92 0.00 0.59 -0.46 103.07 107.77 2puk h GLY 42 Ca 0.15 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 2puk h GLY 42 CO -0.01 0.66 0.21 1.41 0.00 0.00 0.00 176.54 178.82 2puk h LEU 43 N 0.57 1.08 -0.22 3.11 3.38 -0.12 -2.25 115.31 120.87 2puk h LEU 43 Ca 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2puk h LEU 43 Cb 0.90 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2puk h LEU 43 CO 0.08 1.01 0.04 0.00 0.09 0.00 0.00 178.44 179.66 2puk h ALA 44 N 1.11 0.29 -0.27 1.53 0.00 -0.85 0.15 119.26 121.21 2puk h ALA 44 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2puk h ALA 44 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2puk h ALA 44 CO -0.00 -0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.35 2puk h ARG 45 N 0.16 0.36 0.10 0.00 3.08 -1.04 -0.97 114.38 116.08 2puk h ARG 45 Ca 0.07 -0.03 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 2puk h ARG 45 Cb 0.31 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2puk h ARG 45 CO 0.00 0.27 -1.17 0.45 -1.07 0.00 0.00 179.97 178.45 2puk h HIS 46 N 0.37 0.49 -0.89 3.04 3.86 -1.16 -2.93 115.15 117.93 2puk h HIS 46 Ca 0.10 -0.34 0.03 0.00 -1.16 0.00 0.00 60.37 59.00 2puk h HIS 46 Cb 0.02 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 2puk h HIS 46 CO 0.00 1.24 0.58 -0.22 0.86 0.00 0.00 177.93 180.39 2puk h LYS 47 N 0.10 1.09 0.20 2.45 1.63 0.05 -1.88 116.57 120.19 2puk h LYS 47 Ca -0.12 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 2puk h LYS 47 Cb 1.88 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.27 2puk h LYS 47 CO 0.19 0.72 -0.09 0.93 -3.45 0.00 0.00 179.45 177.75 2puk h GLU 48 N 1.12 -0.25 0.00 1.90 5.08 -1.17 -2.65 114.58 118.60 2puk h GLU 48 Ca 0.35 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2puk h GLU 48 Cb -0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2puk h GLU 48 CO -0.10 0.14 -0.53 1.05 -1.00 0.00 0.00 179.01 178.57 2puk h GLU 49 N -0.77 0.00 0.00 2.33 4.11 -1.54 -3.38 114.58 115.33 2puk h GLU 49 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2puk h GLU 49 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2puk h GLU 49 CO 0.04 0.00 -1.16 1.28 0.07 0.00 0.00 179.01 179.25 2puk n LEU 50 N -2.46 0.00 0.00 3.06 4.32 -0.71 -5.05 117.00 116.16 2puk n LEU 50 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 2puk n LEU 50 Cb 0.48 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 2puk n LEU 50 CO 0.36 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 2puk n GLY 51 N 2.36 2.82 3.95 -0.72 0.00 -1.00 -5.02 105.19 107.59 2puk n GLY 51 Ca -0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 2puk n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2puk s SER 52 N 0.00 6.34 -1.36 1.61 0.01 -1.26 -4.75 113.70 114.29 2puk s SER 52 Ca 0.00 0.23 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 2puk s SER 52 Cb 0.00 -1.93 0.08 0.00 0.21 0.00 0.00 66.02 64.37 2puk s SER 52 CO 0.00 -0.06 1.96 -0.81 0.41 0.00 0.00 173.24 174.73 2puk n PRO 53 N -1.06 3.10 -2.15 12.44 -0.04 -1.26 -3.12 135.00 142.91 2puk n PRO 53 Ca -0.07 -3.04 -0.42 0.00 -0.04 0.00 0.00 63.50 59.93 2puk n PRO 53 Cb 0.55 -3.30 -0.03 0.00 -0.04 0.00 0.00 33.50 30.68 2puk n PRO 53 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2puk s LEU 54 N 2.60 4.39 -0.04 1.53 0.20 -1.26 -2.32 118.68 123.78 2puk s LEU 54 Ca 0.48 2.43 -0.38 0.00 0.69 0.00 0.00 54.13 57.36 2puk s LEU 54 Cb 0.09 -3.60 -0.16 0.00 -0.43 0.00 0.00 46.19 42.08 2puk s LEU 54 CO -0.01 -0.62 1.50 0.00 -0.29 0.00 0.00 176.35 176.93 2puk n PRO 56 N 3.65 1.57 -1.83 0.00 -0.04 -1.26 -3.88 135.00 133.20 2puk n PRO 56 Ca 0.21 -0.85 -0.28 0.00 -0.04 0.00 0.00 63.50 62.55 2puk n PRO 56 Cb 0.17 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.27 2puk n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2puk s ARG 58 N -3.68 0.86 -0.11 0.00 0.52 -1.25 -4.92 118.95 110.36 2puk s ARG 58 Ca 0.55 -1.12 -0.06 0.00 -0.52 0.00 0.00 55.73 54.58 2puk s ARG 58 Cb 0.44 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 36.18 2puk s ARG 58 CO 0.00 -0.26 0.13 -1.58 0.02 0.00 0.00 175.30 173.61 2puk s HIS 59 N -3.92 3.55 -0.05 -0.53 5.65 -1.26 -5.07 115.29 113.66 2puk s HIS 59 Ca 0.10 0.49 0.04 0.00 0.25 0.00 0.00 55.06 55.94 2puk s HIS 59 Cb 0.06 -1.92 -0.00 0.00 -1.18 0.00 0.00 32.58 29.53 2puk s HIS 59 CO -0.07 0.71 -0.18 0.71 -0.65 0.00 0.00 174.74 175.26 2puk s TYR 60 N -1.03 1.79 0.20 3.88 1.51 -1.26 -5.00 117.35 117.44 2puk s TYR 60 Ca 0.15 -0.54 0.17 0.00 -1.01 0.00 0.00 57.07 55.84 2puk s TYR 60 Cb -0.12 -1.21 0.63 0.00 -0.11 0.00 0.00 41.96 41.15 2puk s TYR 60 CO 0.04 -0.19 1.72 0.93 -1.11 0.00 0.00 175.55 176.94 2puk h GLU 61 N 6.33 0.00 -1.69 -0.62 4.39 -2.06 -3.40 114.58 117.53 2puk h GLU 61 Ca -0.32 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.11 2puk h GLU 61 Cb 1.18 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.55 2puk h GLU 61 CO 0.48 0.42 -0.61 0.34 -1.16 0.00 0.00 179.01 178.47 2puk s ASP 62 N -6.53 0.42 0.24 1.42 -1.08 -1.26 -5.03 116.67 104.85 2puk s ASP 62 Ca -0.00 -1.24 -0.04 0.00 -0.52 0.00 0.00 52.55 50.75 2puk s ASP 62 Cb 0.11 0.96 0.42 0.00 -1.46 0.00 0.00 42.92 42.96 2puk s ASP 62 CO 0.70 -0.25 1.78 0.11 0.52 0.00 0.00 175.17 178.03 2puk h LYS 63 N 7.19 0.63 -0.04 4.34 1.57 -1.99 -1.57 116.57 126.69 2puk h LYS 63 Ca 0.03 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2puk h LYS 63 Cb 1.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2puk h LYS 63 CO 0.19 0.41 -0.76 0.93 -0.57 0.00 0.00 179.45 179.65 2puk h GLU 64 N 0.64 0.26 -0.20 3.15 5.08 -1.96 -1.80 114.58 119.75 2puk h GLU 64 Ca 0.40 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 2puk h GLU 64 Cb 0.47 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2puk h GLU 64 CO -0.30 0.90 -0.46 0.00 -1.00 0.00 0.00 179.01 178.15 2puk h ALA 65 N 1.03 0.84 -0.23 3.43 0.00 -1.95 -3.15 119.26 119.23 2puk h ALA 65 Ca -0.03 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2puk h ALA 65 Cb 1.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2puk h ALA 65 CO 0.12 0.66 -0.03 0.93 0.00 0.00 0.00 179.25 180.92 2puk h GLU 66 N 0.40 0.35 0.00 0.00 4.39 -0.79 -1.93 114.58 117.00 2puk h GLU 66 Ca 0.03 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2puk h GLU 66 Cb 0.96 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2puk h GLU 66 CO 0.08 0.41 -0.28 0.28 -1.16 0.00 0.00 179.01 178.34 2puk h VAL 67 N 0.34 0.77 0.00 3.13 2.07 -1.30 -2.93 116.25 118.32 2puk h VAL 67 Ca 0.08 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 2puk h VAL 67 Cb 0.28 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2puk h VAL 67 CO 0.01 0.28 -1.63 0.29 0.02 0.00 0.00 177.57 176.54 2puk n LYS 68 N -3.57 0.64 0.23 1.57 5.02 -0.78 -3.45 118.16 117.83 2puk n LYS 68 Ca -0.01 -0.01 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 2puk n LYS 68 Cb 0.42 -1.66 0.31 0.00 -0.02 0.00 0.00 35.03 34.08 2puk n LYS 68 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2puk h ASN 69 N 0.00 0.00 0.00 4.39 -0.73 -1.48 -3.47 115.58 114.28 2puk h ASN 69 Ca -0.08 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.09 2puk h ASN 69 Cb 1.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 2puk h ASN 69 CO 0.01 0.04 0.00 0.35 -0.37 0.00 0.00 177.43 177.46 2puk n THR 70 N -3.11 0.00 0.10 -3.57 -2.24 -1.11 -4.86 114.28 99.48 2puk n THR 70 Ca 0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 2puk n THR 70 Cb 0.48 -0.25 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 2puk n THR 70 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2puk h PHE 71 N 0.00 -1.40 -0.23 4.78 3.57 -1.91 -1.92 116.94 119.83 2puk h PHE 71 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2puk h PHE 71 Cb 0.00 0.60 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2puk h PHE 71 CO 0.00 -0.56 0.00 0.91 -2.23 0.00 0.00 178.31 176.43 2puk n TRP 72 N -5.48 0.74 -2.57 0.41 7.02 -1.26 -2.30 117.44 114.00 2puk n TRP 72 Ca -0.07 -0.26 -0.43 0.00 -1.02 0.00 0.00 57.50 55.71 2puk n TRP 72 Cb 0.40 -0.22 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 2puk n TRP 72 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2puk s ASN 73 N -0.40 6.86 0.05 -0.99 0.01 -0.72 -1.72 114.94 118.03 2puk s ASN 73 Ca 0.21 1.11 -0.31 0.00 -0.71 0.00 0.00 52.86 53.16 2puk s ASN 73 Cb 0.15 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.20 2puk s ASN 73 CO 0.07 -0.94 1.52 0.00 -1.51 0.00 0.00 177.10 176.24 2puk s PRO 75 N 2.30 4.39 1.10 0.00 0.02 -1.26 -4.80 135.00 136.76 2puk s PRO 75 Ca 0.68 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 63.20 2puk s PRO 75 Cb -0.36 -3.51 0.24 0.00 0.02 0.00 0.00 34.50 30.89 2puk s PRO 75 CO 0.30 -0.36 1.07 0.00 -0.33 0.00 0.00 177.00 177.68 2puk h VAL 77 N -2.28 0.72 -0.73 0.00 2.07 -1.73 -1.80 116.25 112.50 2puk h VAL 77 Ca -0.54 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.08 2puk h VAL 77 Cb 1.33 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 2puk h VAL 77 CO 0.51 0.00 0.35 -0.65 0.02 0.00 0.00 177.57 177.80 2puk h PRO 78 N -0.30 0.55 -0.06 1.57 0.11 -1.87 -1.09 132.00 130.92 2puk h PRO 78 Ca -0.01 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2puk h PRO 78 Cb 0.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 2puk h PRO 78 CO -0.01 0.37 -0.41 1.98 -0.21 0.00 0.00 178.00 179.71 2puk h MET 79 N 0.57 0.13 0.10 1.05 1.85 -1.50 0.22 114.93 117.35 2puk h MET 79 Ca 0.37 -0.06 -0.26 0.00 -0.61 0.00 0.00 59.70 59.14 2puk h MET 79 Cb 0.44 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 2puk h MET 79 CO -0.30 0.53 -1.18 0.00 -0.40 0.00 0.00 176.91 175.55 2puk h ARG 80 N 0.11 0.23 0.00 0.39 3.08 -0.54 -2.67 114.38 114.98 2puk h ARG 80 Ca 0.01 -0.39 -0.39 0.00 0.07 0.00 0.00 59.98 59.29 2puk h ARG 80 Cb 0.78 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.91 2puk h ARG 80 CO 0.06 1.17 -2.47 0.39 -1.07 0.00 0.00 179.97 178.06 2puk n GLU 81 N -3.52 0.64 0.00 0.04 1.02 -0.49 -4.66 120.64 113.68 2puk n GLU 81 Ca -0.07 0.15 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 2puk n GLU 81 Cb 1.00 -1.51 -0.00 0.00 -0.02 0.00 0.00 31.44 30.90 2puk n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2puk n ARG 82 N -3.27 2.79 -2.18 3.49 1.74 0.56 -5.01 116.66 114.79 2puk n ARG 82 Ca -0.46 -0.38 -0.17 0.00 -0.77 0.00 0.00 57.85 56.07 2puk n ARG 82 Cb 0.98 -0.91 -0.02 0.00 -1.02 0.00 0.00 32.46 31.50 2puk n ARG 82 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2puk n LYS 83 N -0.46 -1.32 -3.55 5.56 4.81 -0.01 -4.93 118.16 118.26 2puk n LYS 83 Ca 0.02 0.87 -0.41 0.00 -0.87 0.00 0.00 58.31 57.92 2puk n LYS 83 Cb 0.11 -5.27 -0.11 0.00 0.02 0.00 0.00 35.03 29.78 2puk n LYS 83 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2puk s GLU 84 N -4.60 2.97 -0.28 1.64 2.02 -1.14 -4.79 118.70 114.53 2puk s GLU 84 Ca 0.00 -1.00 0.03 0.00 0.02 0.00 0.00 54.97 54.02 2puk s GLU 84 Cb 0.00 -3.81 0.07 0.00 0.10 0.00 0.00 34.13 30.49 2puk s GLU 84 CO 0.00 -0.68 -0.06 0.00 0.02 0.00 0.00 175.26 174.54 2puk n HIS 86 N 4.42 0.15 0.51 0.00 1.44 -1.26 -2.41 115.22 118.07 2puk n HIS 86 Ca -0.09 0.04 0.12 0.00 -2.01 0.00 0.00 57.72 55.78 2puk n HIS 86 Cb 0.42 -0.44 0.46 0.00 0.12 0.00 0.00 29.99 30.55 2puk n HIS 86 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2puk n MET 88 N -2.16 -7.07 -0.06 0.00 0.00 -1.01 -4.94 117.12 101.88 2puk n MET 88 Ca 0.04 0.81 -0.04 0.00 0.00 0.00 0.00 57.70 58.51 2puk n MET 88 Cb 0.30 -5.76 -0.02 0.00 0.00 0.00 0.00 33.22 27.74 2puk n MET 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2puk h LEU 89 N -2.23 0.00 -7.91 4.03 5.85 -1.91 -3.39 115.31 109.74 2puk h LEU 89 Ca -0.56 -0.06 -0.78 0.00 0.84 0.00 0.00 57.88 57.33 2puk h LEU 89 Cb 1.34 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 42.11 2puk h LEU 89 CO 0.51 0.68 -0.03 -0.36 -0.34 0.00 0.00 178.44 178.90 2puk s PHE 90 N -1.93 3.58 -0.12 1.25 0.40 -1.26 -4.24 117.98 115.65 2puk s PHE 90 Ca -0.09 -1.79 -0.15 0.00 -0.60 0.00 0.00 56.93 54.30 2puk s PHE 90 Cb 0.01 -3.78 -0.05 0.00 0.51 0.00 0.00 43.02 39.71 2puk s PHE 90 CO 0.15 -0.99 0.37 -0.51 0.70 0.00 0.00 175.22 174.94 2puk s LEU 91 N 0.65 4.29 0.54 -0.37 1.43 -0.82 -4.42 118.68 119.99 2puk s LEU 91 Ca 0.13 0.69 -0.19 0.00 -1.03 0.00 0.00 54.13 53.72 2puk s LEU 91 Cb -0.17 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 2puk s LEU 91 CO -0.05 0.11 1.13 0.42 0.23 0.00 0.00 176.35 178.19 2puk s THR 92 N 0.25 3.18 0.43 5.49 -4.23 -1.26 -0.67 115.64 118.83 2puk s THR 92 Ca 0.21 0.73 0.20 0.00 -1.18 0.00 0.00 61.69 61.65 2puk s THR 92 Cb -0.14 -3.29 0.40 0.00 1.34 0.00 0.00 72.50 70.80 2puk s THR 92 CO 0.08 -0.16 1.85 1.55 -0.54 0.00 0.00 174.62 177.40 2puk h PRO 93 N 1.20 0.33 0.00 3.99 0.13 -1.97 -2.23 132.00 133.45 2puk h PRO 93 Ca -0.50 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2puk h PRO 93 Cb 1.26 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2puk h PRO 93 CO 0.57 0.22 -0.18 0.38 -0.23 0.00 0.00 178.00 178.76 2puk h ASP 94 N 0.34 0.00 -3.50 1.44 3.04 -1.98 -3.45 116.42 112.32 2puk h ASP 94 Ca 0.48 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.74 2puk h ASP 94 Cb 1.29 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 39.64 2puk h ASP 94 CO -0.16 0.18 0.76 0.21 -2.04 0.00 0.00 179.24 178.19 2puk s ASN 95 N -6.12 6.60 0.43 4.15 3.84 -0.84 -4.94 114.94 118.06 2puk s ASN 95 Ca 0.02 2.75 0.24 0.00 0.21 0.00 0.00 52.86 56.07 2puk s ASN 95 Cb 0.09 -2.63 0.73 0.00 -0.55 0.00 0.00 41.25 38.88 2puk s ASN 95 CO 0.63 -0.72 1.74 0.44 -2.79 0.00 0.00 177.10 176.40 2puk h ASP 96 N 4.57 0.00 1.45 -4.21 5.19 -1.88 -2.83 116.42 118.70 2puk h ASP 96 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2puk h ASP 96 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 2puk h ASP 96 CO 0.75 0.20 -0.06 -0.26 -3.12 0.00 0.00 179.24 176.75 2puk h PHE 97 N 0.00 0.00 -2.48 4.55 -1.00 -1.95 -3.44 116.94 112.62 2puk h PHE 97 Ca -0.00 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 2puk h PHE 97 Cb 0.88 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.42 2puk h PHE 97 CO 0.00 0.00 1.31 0.00 -1.61 0.00 0.00 178.31 178.01 2puk s ALA 98 N -3.11 2.95 0.27 2.45 0.00 -1.07 -0.78 121.76 122.46 2puk s ALA 98 Ca 0.10 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2puk s ALA 98 Cb 0.12 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.25 2puk s ALA 98 CO 0.61 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 174.30 2puk n GLY 99 N 5.33 -0.97 0.00 0.00 0.00 0.08 -4.70 105.19 104.94 2puk n GLY 99 Ca 0.24 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2puk n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2puk n ASP 100 N 0.00 0.00 -4.81 1.61 3.85 -1.26 -4.82 116.55 111.12 2puk n ASP 100 Ca 0.00 -1.00 -0.34 0.00 -0.71 0.00 0.00 54.79 52.74 2puk n ASP 100 Cb 0.00 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 39.70 2puk n ASP 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2puk s ALA 101 N 0.00 3.05 -0.07 2.12 0.00 -1.26 -4.95 121.76 120.64 2puk s ALA 101 Ca 0.00 0.44 0.11 0.00 0.00 0.00 0.00 51.96 52.51 2puk s ALA 101 Cb 0.00 -3.16 0.18 0.00 0.00 0.00 0.00 23.12 20.14 2puk s ALA 101 CO 0.00 0.10 1.09 1.04 0.00 0.00 0.00 175.76 177.99 2puk n GLN 102 N -0.51 0.70 -3.80 0.00 6.02 -1.26 -1.54 117.38 116.99 2puk n GLN 102 Ca 0.07 -1.94 -0.13 0.00 -0.01 0.00 0.00 57.00 54.99 2puk n GLN 102 Cb 0.53 -1.01 -0.13 0.00 1.02 0.00 0.00 30.24 30.66 2puk n GLN 102 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2puk s ASP 103 N -2.07 -0.19 -0.07 1.08 1.01 -1.26 -4.57 116.67 110.60 2puk s ASP 103 Ca 0.19 0.37 0.03 0.00 0.71 0.00 0.00 52.55 53.85 2puk s ASP 103 Cb 0.17 0.36 0.01 0.00 1.01 0.00 0.00 42.92 44.47 2puk s ASP 103 CO 0.00 -0.08 -0.15 -0.51 0.21 0.00 0.00 175.17 174.64 2puk s ILE 104 N 0.31 1.34 0.26 0.77 2.07 -1.26 -5.06 121.20 119.64 2puk s ILE 104 Ca -0.02 -0.61 -0.30 0.00 -1.41 0.00 0.00 60.65 58.31 2puk s ILE 104 Cb -0.03 -1.20 -0.11 0.00 0.13 0.00 0.00 42.46 41.25 2puk s ILE 104 CO -0.01 0.40 1.52 -2.84 -1.91 0.00 0.00 174.94 172.10 2puk s PRO 105 N 0.53 4.20 0.43 3.50 0.02 -1.26 -4.88 135.00 137.55 2puk s PRO 105 Ca -0.14 2.43 0.19 0.00 0.02 0.00 0.00 61.00 63.50 2puk s PRO 105 Cb -0.16 -3.08 1.13 0.00 0.02 0.00 0.00 34.50 32.42 2puk s PRO 105 CO 0.05 -0.53 1.87 1.98 -0.33 0.00 0.00 177.00 180.03 2puk h MET 106 N 5.10 0.34 -0.35 5.54 1.85 -2.01 -1.75 114.93 123.65 2puk h MET 106 Ca -0.46 -0.02 0.04 0.00 -0.61 0.00 0.00 59.70 58.65 2puk h MET 106 Cb 1.22 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 33.13 2puk h MET 106 CO 0.80 0.23 0.13 1.49 -0.40 0.00 0.00 176.91 179.15 2puk h GLU 107 N 0.35 0.27 0.00 0.39 4.81 -2.02 -2.97 114.58 115.41 2puk h GLU 107 Ca 0.45 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 2puk h GLU 107 Cb 1.21 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2puk h GLU 107 CO -0.15 0.18 -0.24 1.15 -0.73 0.00 0.00 179.01 179.21 2puk h THR 108 N 0.28 0.89 -0.21 0.32 2.02 -1.69 -2.82 112.91 111.69 2puk h THR 108 Ca 0.16 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.30 2puk h THR 108 Cb 0.13 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 2puk h THR 108 CO -0.16 0.24 -0.33 -0.07 0.37 0.00 0.00 175.52 175.56 2puk h LEU 109 N 0.00 0.46 0.00 2.58 3.38 -1.50 -2.87 115.31 117.35 2puk h LEU 109 Ca -0.00 -0.18 -0.22 0.00 0.09 0.00 0.00 57.88 57.57 2puk h LEU 109 Cb 0.53 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2puk h LEU 109 CO 0.03 0.77 -1.11 -0.33 0.09 0.00 0.00 178.44 177.89 2puk h GLU 110 N 0.38 0.00 -0.57 1.13 3.07 -1.58 -3.22 114.58 113.79 2puk h GLU 110 Ca 0.05 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2puk h GLU 110 Cb 0.77 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 2puk h GLU 110 CO 0.06 0.84 0.35 0.93 -1.40 0.00 0.00 179.01 179.79 2puk h GLU 111 N 0.00 0.76 0.00 2.33 5.08 -1.33 -1.01 114.58 120.41 2puk h GLU 111 Ca -0.07 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2puk h GLU 111 Cb 1.78 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 2puk h GLU 111 CO 0.11 0.53 -0.55 0.28 -1.00 0.00 0.00 179.01 178.38 2puk h VAL 112 N 0.78 0.34 0.00 3.13 2.07 -1.63 0.00 116.25 120.94 2puk h VAL 112 Ca 0.21 -1.51 -0.11 0.00 0.82 0.00 0.00 66.70 66.10 2puk h VAL 112 Cb -0.04 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2puk h VAL 112 CO -0.04 0.19 -0.52 0.11 0.02 0.00 0.00 177.57 177.33 2puk h LYS 113 N 0.00 0.00 0.18 1.57 1.57 -1.38 -3.18 116.57 115.33 2puk h LYS 113 Ca -0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 2puk h LYS 113 Cb 1.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.52 2puk h LYS 113 CO 0.03 0.52 -1.61 0.00 -0.57 0.00 0.00 179.45 177.82 2puk h ALA 114 N 1.48 0.10 0.00 3.86 0.00 -1.19 -3.51 119.26 120.00 2puk h ALA 114 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.83 2puk h ALA 114 Cb 1.01 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2puk h ALA 114 CO 0.07 0.91 0.00 0.45 0.00 0.00 0.00 179.25 180.67