#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvd h ALA 12 N 0.00 0.73 -0.18 1.96 0.00 -1.99 -1.51 119.26 118.27 2pvd h ALA 12 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 2pvd h ALA 12 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2pvd h ALA 12 CO 0.00 0.70 -0.51 0.00 0.00 0.00 0.00 179.25 179.44 2pvd h ALA 13 N 1.02 0.77 -0.24 0.00 0.00 -2.02 -1.85 119.26 116.95 2pvd h ALA 13 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2pvd h ALA 13 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2pvd h ALA 13 CO 0.10 0.68 -0.43 1.98 0.00 0.00 0.00 179.25 181.58 2pvd h MET 14 N 0.40 0.58 -0.06 0.00 -1.53 -1.91 -0.70 114.93 111.71 2pvd h MET 14 Ca 0.02 -0.31 -0.00 0.00 -3.44 0.00 0.00 59.70 55.96 2pvd h MET 14 Cb 1.03 0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 32.09 2pvd h MET 14 CO 0.09 0.90 0.03 -0.22 0.14 0.00 0.00 176.91 177.86 2pvd h LYS 15 N 0.47 0.09 -0.59 0.39 3.64 -1.08 -2.00 116.57 117.49 2pvd h LYS 15 Ca 0.03 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2pvd h LYS 15 Cb 0.95 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 2pvd h LYS 15 CO 0.08 0.17 0.21 -0.97 -2.27 0.00 0.00 179.45 176.67 2pvd h ASN 16 N -0.00 0.84 -0.17 4.20 -0.00 -1.23 -2.59 115.58 116.63 2pvd h ASN 16 Ca 0.02 -0.19 0.04 0.00 -0.00 0.00 0.00 56.30 56.17 2pvd h ASN 16 Cb 0.10 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.16 2pvd h ASN 16 CO -0.00 0.81 -0.10 0.15 -0.00 0.00 0.00 177.43 178.28 2pvd h PHE 17 N 0.83 -0.24 -0.31 0.67 3.57 -0.97 -1.53 116.94 118.96 2pvd h PHE 17 Ca 0.19 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.73 2pvd h PHE 17 Cb 0.25 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2pvd h PHE 17 CO 0.01 -0.16 0.18 0.00 -2.23 0.00 0.00 178.31 176.12 2pvd h ALA 18 N 1.05 0.39 -0.78 2.41 0.00 -1.24 -0.51 119.26 120.58 2pvd h ALA 18 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pvd h ALA 18 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2pvd h ALA 18 CO -0.23 -0.18 0.51 0.93 0.00 0.00 0.00 179.25 180.28 2pvd h GLU 19 N 0.38 1.00 -0.15 0.00 5.08 -1.22 -0.39 114.58 119.28 2pvd h GLU 19 Ca 0.12 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 2pvd h GLU 19 Cb -0.01 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.02 2pvd h GLU 19 CO -0.05 0.66 -0.56 -0.56 -1.00 0.00 0.00 179.01 177.49 2pvd h GLN 20 N 1.03 0.65 -0.68 2.33 3.07 -1.07 -2.87 115.11 117.57 2pvd h GLN 20 Ca 0.30 -0.50 -0.05 0.00 0.09 0.00 0.00 58.65 58.49 2pvd h GLN 20 Cb -0.07 0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.55 2pvd h GLN 20 CO -0.08 1.12 0.21 -0.92 0.09 0.00 0.00 178.83 179.25 2pvd h TYR 21 N 0.32 1.08 -0.64 0.06 3.20 -0.95 0.29 116.97 120.34 2pvd h TYR 21 Ca -0.03 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 2pvd h TYR 21 Cb 1.19 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 2pvd h TYR 21 CO 0.10 0.85 0.36 0.00 -1.64 0.00 0.00 178.16 177.83 2pvd h ALA 22 N 1.22 1.44 0.09 1.82 0.00 -1.06 -0.58 119.26 122.18 2pvd h ALA 22 Ca 0.22 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 2pvd h ALA 22 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pvd h ALA 22 CO -0.01 0.47 -1.15 0.87 0.00 0.00 0.00 179.25 179.44 2pvd h LYS 23 N 0.88 0.29 -0.08 0.00 1.57 -1.21 -0.07 116.57 117.96 2pvd h LYS 23 Ca 0.23 -0.44 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 2pvd h LYS 23 Cb 0.00 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2pvd h LYS 23 CO -0.04 1.17 -0.30 -0.09 -0.57 0.00 0.00 179.45 179.63 2pvd h ARG 24 N 0.11 0.14 -0.15 3.15 2.43 -0.36 -3.04 114.38 116.67 2pvd h ARG 24 Ca -0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2pvd h ARG 24 Cb 1.85 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.39 2pvd h ARG 24 CO 0.19 0.43 0.00 0.25 -1.51 0.00 0.00 179.97 179.33 2pvd n THR 25 N -4.14 0.22 -3.56 0.20 -2.24 -0.28 -4.98 114.28 99.50 2pvd n THR 25 Ca -0.01 -0.61 -0.21 0.00 -2.27 0.00 0.00 64.05 60.94 2pvd n THR 25 Cb 0.37 1.21 0.08 0.00 -2.10 0.00 0.00 70.33 69.89 2pvd n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2pvd n ASP 26 N 1.12 -4.27 -4.49 3.42 8.00 -0.94 -5.01 116.55 114.38 2pvd n ASP 26 Ca 0.13 -0.60 -0.24 0.00 0.71 0.00 0.00 54.79 54.79 2pvd n ASP 26 Cb 0.50 -4.95 -0.10 0.00 -0.02 0.00 0.00 41.12 36.54 2pvd n ASP 26 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pvd s THR 27 N -3.35 2.31 0.26 -3.53 -4.23 -0.08 -4.59 115.64 102.41 2pvd s THR 27 Ca 0.33 -2.31 0.09 0.00 -1.18 0.00 0.00 61.69 58.62 2pvd s THR 27 Cb -0.15 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.22 2pvd s THR 27 CO 0.74 -0.33 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.03 2pvd s TYR 28 N -2.60 2.02 0.64 3.99 1.51 0.16 -4.47 117.35 118.60 2pvd s TYR 28 Ca 0.30 -0.49 -0.11 0.00 -1.01 0.00 0.00 57.07 55.77 2pvd s TYR 28 Cb -0.02 -0.96 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2pvd s TYR 28 CO 0.15 0.51 1.03 -0.06 -1.11 0.00 0.00 175.55 176.07 2pvd s PHE 29 N -2.77 3.53 0.49 2.71 2.99 -0.57 -0.20 117.98 124.16 2pvd s PHE 29 Ca 0.27 1.18 -0.24 0.00 0.00 0.00 0.00 56.93 58.15 2pvd s PHE 29 Cb -0.02 -2.80 -0.07 0.00 0.00 0.00 0.00 43.02 40.14 2pvd s PHE 29 CO 0.11 -0.81 1.39 0.00 -0.00 0.00 0.00 175.22 175.91 2pvd h SER 31 N 1.96 0.28 -3.13 0.00 4.64 -1.26 -3.27 113.55 112.77 2pvd h SER 31 Ca -0.51 0.02 -0.75 0.00 -0.47 0.00 0.00 61.79 60.08 2pvd h SER 31 Cb 1.28 -0.03 -0.25 0.00 -0.31 0.00 0.00 62.40 63.09 2pvd h SER 31 CO 0.59 0.13 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.82 2pvd s ASP 32 N -5.90 6.13 0.31 4.97 2.15 -1.26 -4.91 116.67 118.15 2pvd s ASP 32 Ca -0.07 -1.78 0.19 0.00 0.43 0.00 0.00 52.55 51.32 2pvd s ASP 32 Cb 0.21 -2.18 1.03 0.00 -0.30 0.00 0.00 42.92 41.67 2pvd s ASP 32 CO 0.76 -0.83 1.55 0.18 -0.17 0.00 0.00 175.17 176.67 2pvd n LEU 33 N 5.21 0.49 0.06 -1.34 4.77 -1.23 -1.76 117.00 123.19 2pvd n LEU 33 Ca -0.13 0.71 -0.01 0.00 -0.03 0.00 0.00 56.01 56.54 2pvd n LEU 33 Cb 0.40 -0.75 0.26 0.00 -2.33 0.00 0.00 43.42 41.00 2pvd n LEU 33 CO 0.52 -0.87 0.76 0.77 -1.33 0.00 0.00 177.39 177.24 2pvd h SER 34 N 0.00 0.36 0.00 -1.43 4.64 -1.92 0.13 113.55 115.34 2pvd h SER 34 Ca 0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2pvd h SER 34 Cb 0.13 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2pvd h SER 34 CO 0.00 0.61 -0.00 0.58 -0.87 0.00 0.00 176.83 177.15 2pvd h VAL 35 N 0.33 1.14 -0.58 0.95 2.07 -1.73 -1.25 116.25 117.18 2pvd h VAL 35 Ca 0.05 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.21 2pvd h VAL 35 Cb 0.61 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 2pvd h VAL 35 CO 0.04 0.11 0.27 0.74 0.02 0.00 0.00 177.57 178.75 2pvd h THR 36 N -0.18 0.89 -0.19 2.57 2.02 -1.55 -2.36 112.91 114.10 2pvd h THR 36 Ca -0.00 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2pvd h THR 36 Cb 0.18 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2pvd h THR 36 CO 0.00 0.09 0.03 0.00 0.37 0.00 0.00 175.52 176.01 2pvd h ALA 37 N 1.34 0.19 -0.67 6.16 0.00 -0.47 -1.60 119.26 124.20 2pvd h ALA 37 Ca 0.27 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2pvd h ALA 37 Cb 0.24 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2pvd h ALA 37 CO -0.22 -0.41 0.37 0.28 0.00 0.00 0.00 179.25 179.27 2pvd h VAL 38 N 0.10 0.95 -0.36 0.00 2.07 -0.74 0.25 116.25 118.53 2pvd h VAL 38 Ca 0.09 -0.23 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2pvd h VAL 38 Cb 0.09 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2pvd h VAL 38 CO -0.13 0.12 -0.09 0.58 0.02 0.00 0.00 177.57 178.08 2pvd h VAL 39 N 0.68 1.28 -0.56 2.57 2.07 -1.19 -0.82 116.25 120.27 2pvd h VAL 39 Ca 0.31 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2pvd h VAL 39 Cb 0.21 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2pvd h VAL 39 CO -0.19 0.38 0.29 0.40 0.02 0.00 0.00 177.57 178.47 2pvd h ILE 40 N 0.49 1.19 -0.81 4.57 2.04 -0.94 0.16 117.51 124.21 2pvd h ILE 40 Ca 0.09 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2pvd h ILE 40 Cb 0.60 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 2pvd h ILE 40 CO 0.04 0.21 0.41 -0.08 0.00 0.00 0.00 178.15 178.72 2pvd h GLU 41 N 0.75 1.15 -0.36 2.37 4.81 -0.85 0.40 114.58 122.84 2pvd h GLU 41 Ca 0.19 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 2pvd h GLU 41 Cb 0.07 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2pvd h GLU 41 CO -0.03 0.87 -0.26 0.78 -0.73 0.00 0.00 179.01 179.64 2pvd h GLY 42 N 1.17 0.81 0.80 1.92 0.00 -0.49 -0.55 103.07 106.72 2pvd h GLY 42 Ca 0.28 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2pvd h GLY 42 CO -0.04 0.65 0.01 1.41 0.00 0.00 0.00 176.54 178.56 2pvd h LEU 43 N 0.64 0.27 -0.57 3.11 3.38 -0.20 -1.39 115.31 120.54 2pvd h LEU 43 Ca 0.08 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.82 2pvd h LEU 43 Cb 0.77 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2pvd h LEU 43 CO 0.06 0.50 0.24 0.00 0.09 0.00 0.00 178.44 179.34 2pvd h ALA 44 N 0.78 0.73 -0.18 1.53 0.00 -0.78 -1.16 119.26 120.18 2pvd h ALA 44 Ca 0.05 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2pvd h ALA 44 Cb 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2pvd h ALA 44 CO 0.01 -0.14 0.07 -0.09 0.00 0.00 0.00 179.25 179.09 2pvd h ARG 45 N 0.46 0.15 -0.57 0.00 2.43 -0.90 -2.68 114.38 113.27 2pvd h ARG 45 Ca 0.27 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2pvd h ARG 45 Cb 0.27 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2pvd h ARG 45 CO -0.24 0.10 0.23 0.45 -1.51 0.00 0.00 179.97 179.00 2pvd h HIS 46 N 0.16 0.82 0.00 2.20 3.86 -0.70 -2.30 115.15 119.18 2pvd h HIS 46 Ca 0.08 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 2pvd h HIS 46 Cb 0.04 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2pvd h HIS 46 CO -0.11 0.64 -0.23 -0.22 0.86 0.00 0.00 177.93 178.87 2pvd h LYS 47 N 0.81 0.00 0.02 2.45 3.64 -0.90 0.21 116.57 122.80 2pvd h LYS 47 Ca 0.19 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2pvd h LYS 47 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2pvd h LYS 47 CO -0.02 0.23 -0.01 0.93 -2.27 0.00 0.00 179.45 178.31 2pvd h GLU 48 N 0.00 -0.02 0.00 1.90 5.08 -1.14 0.46 114.58 120.87 2pvd h GLU 48 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2pvd h GLU 48 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2pvd h GLU 48 CO 0.03 0.74 -0.52 0.93 -1.00 0.00 0.00 179.01 179.19 2pvd h GLU 49 N -0.86 0.00 0.00 2.33 5.08 -1.37 -3.35 114.58 116.41 2pvd h GLU 49 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pvd h GLU 49 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2pvd h GLU 49 CO 0.00 0.52 -1.18 1.28 -1.00 0.00 0.00 179.01 178.63 2pvd n LEU 50 N -3.62 0.00 0.00 1.33 4.77 0.74 -5.01 117.00 115.22 2pvd n LEU 50 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pvd n LEU 50 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2pvd n LEU 50 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2pvd n GLY 51 N 2.30 2.63 3.26 -0.72 0.00 0.16 -4.99 105.19 107.83 2pvd n GLY 51 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2pvd n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pvd s SER 52 N -1.43 2.26 -0.56 1.61 0.01 -1.24 -4.86 113.70 109.49 2pvd s SER 52 Ca 0.00 -0.73 -0.06 0.00 1.31 0.00 0.00 55.95 56.47 2pvd s SER 52 Cb 0.00 -0.11 -0.13 0.00 0.21 0.00 0.00 66.02 65.99 2pvd s SER 52 CO 0.00 -0.03 2.57 -2.65 0.41 0.00 0.00 173.24 173.53 2pvd n PRO 53 N 0.85 2.01 -1.70 12.44 -0.02 -1.26 -2.47 135.00 144.84 2pvd n PRO 53 Ca -0.18 -1.19 -0.44 0.00 -2.02 0.00 0.00 63.50 59.68 2pvd n PRO 53 Cb 0.55 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 2pvd n PRO 53 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2pvd n LEU 54 N 3.29 3.61 -4.65 2.45 7.94 -1.26 -0.87 117.00 127.51 2pvd n LEU 54 Ca 0.43 1.13 -0.50 0.00 -1.11 0.00 0.00 56.01 55.96 2pvd n LEU 54 Cb 0.42 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.82 2pvd n LEU 54 CO 0.44 -0.19 1.16 0.00 -1.11 0.00 0.00 177.39 177.70 2pvd n PRO 56 N 3.89 0.33 -1.02 0.00 -0.04 -1.26 -4.17 135.00 132.73 2pvd n PRO 56 Ca 0.19 -0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.26 2pvd n PRO 56 Cb 0.24 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.32 2pvd n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pvd s ARG 58 N -2.70 1.07 -0.19 0.00 0.52 -1.26 -4.98 118.95 111.42 2pvd s ARG 58 Ca 0.46 -1.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.30 2pvd s ARG 58 Cb 0.38 0.31 -0.02 0.00 0.52 0.00 0.00 34.95 36.14 2pvd s ARG 58 CO 0.06 -0.35 -0.04 -1.01 0.02 0.00 0.00 175.30 173.97 2pvd s HIS 59 N -4.02 2.98 0.19 -0.53 3.76 -1.26 -5.09 115.29 111.32 2pvd s HIS 59 Ca 0.22 -0.59 0.10 0.00 -0.15 0.00 0.00 55.06 54.65 2pvd s HIS 59 Cb 0.05 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 2pvd s HIS 59 CO 0.02 -0.28 -0.14 0.71 -0.85 0.00 0.00 174.74 174.20 2pvd s TYR 60 N 0.90 2.52 -0.07 1.40 1.51 -1.26 -5.03 117.35 117.31 2pvd s TYR 60 Ca -0.00 -0.27 0.08 0.00 -1.01 0.00 0.00 57.07 55.87 2pvd s TYR 60 Cb -0.15 -1.22 -0.24 0.00 -0.11 0.00 0.00 41.96 40.24 2pvd s TYR 60 CO 0.01 0.52 0.54 0.00 -1.11 0.00 0.00 175.55 175.52 2pvd n ALA 61 N 0.04 1.35 -3.42 3.71 0.00 -1.26 -4.64 120.51 116.29 2pvd n ALA 61 Ca -0.11 -0.77 -0.27 0.00 0.00 0.00 0.00 53.44 52.29 2pvd n ALA 61 Cb 0.56 -0.76 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 2pvd n ALA 61 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pvd s ASP 62 N -6.28 1.71 0.36 0.00 -1.08 -1.26 -4.99 116.67 105.13 2pvd s ASP 62 Ca -0.10 -2.99 0.12 0.00 -0.52 0.00 0.00 52.55 49.06 2pvd s ASP 62 Cb 0.08 -0.47 0.90 0.00 -1.46 0.00 0.00 42.92 41.97 2pvd s ASP 62 CO 0.81 -0.18 1.80 0.11 0.52 0.00 0.00 175.17 178.23 2pvd h LYS 63 N 5.79 0.58 -0.44 4.34 1.57 -2.00 -0.15 116.57 126.26 2pvd h LYS 63 Ca 0.24 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2pvd h LYS 63 Cb 0.91 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2pvd h LYS 63 CO 0.37 0.38 -0.16 1.49 -0.57 0.00 0.00 179.45 180.96 2pvd h GLU 64 N 0.60 0.85 -0.23 3.15 4.57 -1.99 -1.99 114.58 119.54 2pvd h GLU 64 Ca 0.54 -0.32 -0.10 0.00 -1.18 0.00 0.00 59.36 58.31 2pvd h GLU 64 Cb 1.07 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2pvd h GLU 64 CO -0.30 0.95 -0.23 0.00 -1.18 0.00 0.00 179.01 178.26 2pvd h ALA 65 N 1.06 0.34 -0.74 2.92 0.00 -1.51 -2.72 119.26 118.61 2pvd h ALA 65 Ca 0.11 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 54.77 2pvd h ALA 65 Cb 0.68 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2pvd h ALA 65 CO 0.05 0.30 0.34 0.93 0.00 0.00 0.00 179.25 180.87 2pvd h GLU 66 N 0.27 0.52 -0.90 0.00 4.39 -1.03 -0.38 114.58 117.45 2pvd h GLU 66 Ca 0.04 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2pvd h GLU 66 Cb 0.78 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 2pvd h GLU 66 CO 0.06 0.34 0.53 0.28 -1.16 0.00 0.00 179.01 179.06 2pvd h VAL 67 N 0.53 1.25 -0.07 3.13 2.07 -1.25 -0.04 116.25 121.87 2pvd h VAL 67 Ca 0.39 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2pvd h VAL 67 Cb 0.51 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2pvd h VAL 67 CO -0.34 0.26 -0.45 0.11 0.02 0.00 0.00 177.57 177.18 2pvd h LYS 68 N 1.24 0.16 0.01 1.57 1.79 -0.81 -2.91 116.57 117.61 2pvd h LYS 68 Ca 0.32 -0.08 -0.24 0.00 -2.18 0.00 0.00 60.65 58.47 2pvd h LYS 68 Cb -0.04 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2pvd h LYS 68 CO -0.06 0.58 -0.99 -0.97 -1.08 0.00 0.00 179.45 176.93 2pvd h ASN 69 N 0.13 0.60 0.00 0.86 -0.73 -0.70 -3.48 115.58 112.26 2pvd h ASN 69 Ca 0.01 -0.49 0.00 0.00 1.87 0.00 0.00 56.30 57.69 2pvd h ASN 69 Cb 0.84 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2pvd h ASN 69 CO 0.07 1.29 0.00 0.35 -0.37 0.00 0.00 177.43 178.77 2pvd n THR 70 N -3.75 0.00 -0.23 -3.57 -2.24 -0.07 -4.92 114.28 99.51 2pvd n THR 70 Ca -0.08 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2pvd n THR 70 Cb 0.86 -0.02 0.15 0.00 -2.10 0.00 0.00 70.33 69.22 2pvd n THR 70 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2pvd h PHE 71 N 0.00 0.18 -0.59 4.78 3.57 -1.90 -1.77 116.94 121.21 2pvd h PHE 71 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pvd h PHE 71 Cb 0.00 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2pvd h PHE 71 CO 0.00 -0.09 0.00 0.91 -2.23 0.00 0.00 178.31 176.90 2pvd n TRP 72 N -5.18 0.89 -2.54 0.41 7.02 -1.26 -1.70 117.44 115.07 2pvd n TRP 72 Ca 0.12 -0.42 -0.42 0.00 -1.02 0.00 0.00 57.50 55.75 2pvd n TRP 72 Cb 0.40 -0.04 -0.03 0.00 -2.42 0.00 0.00 31.31 29.23 2pvd n TRP 72 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2pvd s ASN 73 N -0.97 7.14 0.17 -0.99 0.01 -0.67 -1.38 114.94 118.25 2pvd s ASN 73 Ca 0.41 1.73 -0.30 0.00 -0.71 0.00 0.00 52.86 53.99 2pvd s ASN 73 Cb 0.22 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 39.24 2pvd s ASN 73 CO 0.26 -0.51 1.33 0.00 -1.51 0.00 0.00 177.10 176.67 2pvd s PRO 75 N 0.32 4.34 1.06 0.00 0.04 -1.26 -4.77 135.00 134.73 2pvd s PRO 75 Ca 0.59 1.65 -0.13 0.00 0.04 0.00 0.00 61.00 63.16 2pvd s PRO 75 Cb -0.36 -3.58 0.22 0.00 0.04 0.00 0.00 34.50 30.82 2pvd s PRO 75 CO 0.35 -0.47 1.08 0.00 0.04 0.00 0.00 177.00 178.00 2pvd h VAL 77 N -2.12 0.85 -0.49 0.00 2.07 -1.60 0.61 116.25 115.56 2pvd h VAL 77 Ca -0.57 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 66.89 2pvd h VAL 77 Cb 1.34 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2pvd h VAL 77 CO 0.56 0.04 0.32 -0.65 0.02 0.00 0.00 177.57 177.87 2pvd h PRO 78 N 0.23 0.61 0.07 1.57 0.11 -1.85 0.10 132.00 132.85 2pvd h PRO 78 Ca 0.17 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.04 2pvd h PRO 78 Cb 0.18 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.17 2pvd h PRO 78 CO -0.21 0.40 -0.86 1.98 -0.21 0.00 0.00 178.00 179.11 2pvd h MET 79 N 0.63 0.45 -0.15 1.05 1.85 -1.09 0.11 114.93 117.77 2pvd h MET 79 Ca 0.19 -0.59 -0.09 0.00 -0.61 0.00 0.00 59.70 58.60 2pvd h MET 79 Cb -0.02 0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 2pvd h MET 79 CO -0.04 1.23 -0.32 0.00 -0.40 0.00 0.00 176.91 177.37 2pvd h ARG 80 N -0.05 0.30 0.05 0.39 3.08 -0.61 -0.86 114.38 116.67 2pvd h ARG 80 Ca -0.13 -0.12 -0.37 0.00 0.07 0.00 0.00 59.98 59.43 2pvd h ARG 80 Cb 1.59 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.58 2pvd h ARG 80 CO 0.17 0.60 -2.14 0.39 -1.07 0.00 0.00 179.97 177.91 2pvd n GLU 81 N -4.09 0.67 -0.05 0.04 1.02 0.34 -4.67 120.64 113.89 2pvd n GLU 81 Ca -0.01 0.27 0.03 0.00 -0.02 0.00 0.00 57.16 57.43 2pvd n GLU 81 Cb 0.43 -1.62 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 2pvd n GLU 81 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pvd n ARG 82 N -3.65 1.45 -3.14 3.49 1.74 0.30 -4.98 116.66 111.87 2pvd n ARG 82 Ca -0.40 -1.35 -0.23 0.00 -0.77 0.00 0.00 57.85 55.10 2pvd n ARG 82 Cb 0.95 -1.13 0.02 0.00 -1.02 0.00 0.00 32.46 31.29 2pvd n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pvd n LYS 83 N 0.18 -4.50 -3.73 5.56 5.02 -0.33 -4.93 118.16 115.43 2pvd n LYS 83 Ca 0.05 0.77 -0.37 0.00 -2.02 0.00 0.00 58.31 56.73 2pvd n LYS 83 Cb 0.25 -5.59 -0.12 0.00 -0.02 0.00 0.00 35.03 29.55 2pvd n LYS 83 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2pvd s GLU 84 N -5.82 3.25 -0.37 1.97 2.02 -0.76 -4.81 118.70 114.19 2pvd s GLU 84 Ca 0.34 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.60 2pvd s GLU 84 Cb -0.16 -3.41 0.11 0.00 0.10 0.00 0.00 34.13 30.77 2pvd s GLU 84 CO 0.42 -0.39 0.11 0.00 0.02 0.00 0.00 175.26 175.42 2pvd h HIS 86 N 7.49 0.00 0.00 0.00 2.07 -1.97 -2.31 115.15 120.44 2pvd h HIS 86 Ca -0.07 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.41 2pvd h HIS 86 Cb 0.99 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.97 2pvd h HIS 86 CO 0.44 0.00 -0.19 0.00 -3.07 0.00 0.00 177.93 175.11 2pvd n MET 88 N -3.24 -1.93 -0.11 0.00 2.81 -0.87 -4.95 117.12 108.82 2pvd n MET 88 Ca 0.01 0.26 -0.20 0.00 -1.81 0.00 0.00 57.70 55.96 2pvd n MET 88 Cb 0.49 -3.64 -0.08 0.00 -0.71 0.00 0.00 33.22 29.28 2pvd n MET 88 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2pvd n LEU 89 N -1.62 1.90 -4.27 4.03 7.94 -1.26 -4.28 117.00 119.44 2pvd n LEU 89 Ca -0.01 0.42 -0.38 0.00 -1.11 0.00 0.00 56.01 54.92 2pvd n LEU 89 Cb 0.53 -0.87 -0.12 0.00 0.53 0.00 0.00 43.42 43.48 2pvd n LEU 89 CO 0.17 0.18 -0.24 -0.36 -1.11 0.00 0.00 177.39 176.02 2pvd s PHE 90 N -2.47 3.27 -0.05 1.96 0.40 -1.26 -4.23 117.98 115.60 2pvd s PHE 90 Ca -0.30 -1.46 0.03 0.00 -0.60 0.00 0.00 56.93 54.61 2pvd s PHE 90 Cb 0.08 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 41.23 2pvd s PHE 90 CO 0.47 -0.74 -0.14 -0.51 0.70 0.00 0.00 175.22 175.00 2pvd s LEU 91 N 1.40 2.73 0.53 -0.37 1.43 0.72 -4.36 118.68 120.76 2pvd s LEU 91 Ca -0.01 -0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 52.69 2pvd s LEU 91 Cb -0.20 -1.56 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 2pvd s LEU 91 CO 0.03 0.34 1.12 0.42 0.23 0.00 0.00 176.35 178.48 2pvd s THR 92 N -0.68 3.25 0.37 5.49 -4.23 -1.26 0.39 115.64 118.97 2pvd s THR 92 Ca 0.10 0.79 0.17 0.00 -1.18 0.00 0.00 61.69 61.58 2pvd s THR 92 Cb -0.11 -3.33 0.37 0.00 1.34 0.00 0.00 72.50 70.78 2pvd s THR 92 CO 0.01 -0.15 1.71 -0.65 -0.54 0.00 0.00 174.62 175.00 2pvd h PRO 93 N 1.33 0.36 0.00 3.99 0.11 -1.95 0.47 132.00 136.31 2pvd h PRO 93 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2pvd h PRO 93 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2pvd h PRO 93 CO 0.57 0.24 0.00 0.38 -0.21 0.00 0.00 178.00 178.98 2pvd h ASP 94 N 0.37 0.00 -2.66 -2.05 -0.00 -1.96 -3.46 116.42 106.66 2pvd h ASP 94 Ca 0.68 0.00 -0.53 0.00 -0.00 0.00 0.00 57.03 57.17 2pvd h ASP 94 Cb 1.66 0.00 0.06 0.00 -0.00 0.00 0.00 39.33 41.05 2pvd h ASP 94 CO -0.43 0.00 0.96 -3.20 -0.00 0.00 0.00 179.24 176.58 2pvd n ASN 95 N -3.07 3.84 -0.19 4.15 2.85 0.16 -4.87 115.26 118.11 2pvd n ASN 95 Ca 0.02 1.07 0.12 0.00 -0.11 0.00 0.00 54.58 55.68 2pvd n ASN 95 Cb 0.40 -1.55 0.42 0.00 1.24 0.00 0.00 39.78 40.29 2pvd n ASN 95 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2pvd h ASP 96 N 6.42 0.54 -0.02 1.20 3.45 -1.87 -1.04 116.42 125.09 2pvd h ASP 96 Ca -0.44 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.04 2pvd h ASP 96 Cb 1.21 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 2pvd h ASP 96 CO 0.93 0.30 0.00 0.49 -1.57 0.00 0.00 179.24 179.39 2pvd n PHE 97 N -4.50 0.02 -2.66 4.55 3.01 -1.26 -4.87 117.46 111.74 2pvd n PHE 97 Ca 0.14 -0.01 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 2pvd n PHE 97 Cb 0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.86 2pvd n PHE 97 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2pvd s ALA 98 N -1.98 3.43 0.43 4.37 0.00 -0.40 -0.84 121.76 126.76 2pvd s ALA 98 Ca 0.40 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2pvd s ALA 98 Cb 0.21 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2pvd s ALA 98 CO 0.33 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2pvd n GLY 99 N 3.13 0.64 0.99 0.00 0.00 -0.36 -4.67 105.19 104.91 2pvd n GLY 99 Ca 0.09 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.27 2pvd n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pvd n ASP 100 N -2.53 3.65 -4.86 1.61 8.00 -1.26 -4.62 116.55 116.54 2pvd n ASP 100 Ca 0.00 -2.30 -0.35 0.00 0.71 0.00 0.00 54.79 52.85 2pvd n ASP 100 Cb 0.00 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.64 2pvd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pvd s ALA 101 N -1.54 3.74 -0.08 2.24 0.00 -1.26 -4.96 121.76 119.90 2pvd s ALA 101 Ca 0.36 -0.38 0.13 0.00 0.00 0.00 0.00 51.96 52.06 2pvd s ALA 101 Cb 0.23 -2.25 0.23 0.00 0.00 0.00 0.00 23.12 21.33 2pvd s ALA 101 CO 0.19 0.56 1.12 1.04 0.00 0.00 0.00 175.76 178.66 2pvd n GLN 102 N 1.16 0.75 -3.76 0.00 6.02 -1.26 -1.51 117.38 118.78 2pvd n GLN 102 Ca -0.10 -2.11 -0.13 0.00 -0.01 0.00 0.00 57.00 54.65 2pvd n GLN 102 Cb 0.52 -1.00 -0.09 0.00 1.02 0.00 0.00 30.24 30.70 2pvd n GLN 102 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2pvd s GLY 103 N -2.22 -0.16 -0.04 1.08 0.00 -1.26 -4.60 107.32 100.13 2pvd s GLY 103 Ca 0.23 0.33 -0.01 0.00 0.00 0.00 0.00 44.72 45.27 2pvd s GLY 103 CO -0.02 0.12 0.03 -1.50 0.00 0.00 0.00 173.10 171.72 2pvd s ILE 104 N -1.36 0.09 0.39 0.90 2.07 -1.26 -5.05 121.20 116.97 2pvd s ILE 104 Ca -0.13 0.24 -0.25 0.00 -1.41 0.00 0.00 60.65 59.10 2pvd s ILE 104 Cb -0.05 -0.27 -0.12 0.00 0.13 0.00 0.00 42.46 42.15 2pvd s ILE 104 CO 0.04 0.18 0.94 -2.65 -1.91 0.00 0.00 174.94 171.55 2pvd n PRO 105 N 4.86 1.24 0.16 3.50 -0.02 -1.26 -4.86 135.00 138.62 2pvd n PRO 105 Ca -0.12 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.83 2pvd n PRO 105 Cb 0.50 -1.91 0.43 0.00 -0.02 0.00 0.00 33.50 32.50 2pvd n PRO 105 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2pvd h MET 106 N 1.55 0.14 -0.31 -0.52 4.05 -2.01 -2.67 114.93 115.15 2pvd h MET 106 Ca -0.43 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.00 2pvd h MET 106 Cb 1.35 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 32.09 2pvd h MET 106 CO 0.57 0.31 0.09 1.49 0.23 0.00 0.00 176.91 179.59 2pvd h GLU 107 N 0.13 0.21 -0.70 0.39 4.81 -1.99 -1.62 114.58 115.81 2pvd h GLU 107 Ca 0.03 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.39 2pvd h GLU 107 Cb 0.37 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.60 2pvd h GLU 107 CO 0.02 0.14 0.15 1.15 -0.73 0.00 0.00 179.01 179.75 2pvd h THR 108 N 0.21 0.53 -0.21 0.32 2.02 -1.83 -0.11 112.91 113.84 2pvd h THR 108 Ca 0.14 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2pvd h THR 108 Cb 0.13 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2pvd h THR 108 CO -0.16 0.05 0.06 -0.07 0.37 0.00 0.00 175.52 175.77 2pvd h LEU 109 N 0.26 0.31 -0.98 2.58 4.07 -1.47 -2.76 115.31 117.33 2pvd h LEU 109 Ca 0.39 -0.21 0.18 0.00 0.08 0.00 0.00 57.88 58.32 2pvd h LEU 109 Cb 0.65 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 42.20 2pvd h LEU 109 CO -0.49 0.44 0.58 -0.33 -1.08 0.00 0.00 178.44 177.56 2pvd h GLU 110 N 0.17 0.74 -0.01 1.13 4.39 -0.16 0.27 114.58 121.10 2pvd h GLU 110 Ca 0.07 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2pvd h GLU 110 Cb 0.24 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2pvd h GLU 110 CO -0.00 0.49 -0.08 0.93 -1.16 0.00 0.00 179.01 179.18 2pvd h GLU 111 N 0.76 0.01 -0.04 2.33 5.08 -0.80 -1.21 114.58 120.71 2pvd h GLU 111 Ca 0.55 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.68 2pvd h GLU 111 Cb 0.82 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2pvd h GLU 111 CO -0.37 0.10 -0.92 0.87 -1.00 0.00 0.00 179.01 177.69 2pvd h LYS 112 N 0.01 0.59 -0.06 2.33 6.56 -0.39 -1.80 116.57 123.81 2pvd h LYS 112 Ca 0.00 -0.58 -0.06 0.00 -1.06 0.00 0.00 60.65 58.96 2pvd h LYS 112 Cb 0.15 0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2pvd h LYS 112 CO 0.01 1.20 -0.22 0.87 -2.06 0.00 0.00 179.45 179.25 2pvd h LYS 113 N 0.36 0.10 -0.21 3.15 1.79 -0.69 -2.77 116.57 118.30 2pvd h LYS 113 Ca -0.08 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.25 2pvd h LYS 113 Cb 1.55 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.18 2pvd h LYS 113 CO 0.17 0.32 -0.31 0.00 -1.08 0.00 0.00 179.45 178.55 2pvd h ALA 114 N 1.69 0.32 -3.43 3.86 0.00 -1.06 -3.40 119.26 117.23 2pvd h ALA 114 Ca 0.02 -0.41 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 2pvd h ALA 114 Cb 0.44 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 17.81 2pvd h ALA 114 CO 0.03 0.35 -0.65 -1.54 0.00 0.00 0.00 179.25 177.44 2pvd s SER 115 N -6.49 4.99 0.00 0.00 1.04 -0.69 -4.96 113.70 107.58 2pvd s SER 115 Ca -0.13 -1.89 0.00 0.00 0.48 0.00 0.00 55.95 54.41 2pvd s SER 115 Cb 0.07 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.46 2pvd s SER 115 CO 0.81 -0.42 0.00 0.23 0.98 0.00 0.00 173.24 174.84 2pvd n MET 116 N 4.48 0.00 -0.36 4.02 2.00 -1.24 -4.68 117.12 121.34 2pvd n MET 116 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2pvd n MET 116 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.64 2pvd n MET 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97