#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jml s SER -1 N 0.00 -0.18 0.03 1.61 0.01 -1.26 -5.18 113.70 108.73 2jml s SER -1 Ca 0.00 -0.61 -0.28 0.00 1.31 0.00 0.00 55.95 56.37 2jml s SER -1 Cb 0.00 0.56 0.09 0.00 0.21 0.00 0.00 66.02 66.88 2jml s SER -1 CO 0.00 -1.04 0.91 -1.38 0.41 0.00 0.00 173.24 172.14 2jml s HIS 0 N -3.91 -0.29 0.13 2.43 0.00 -1.26 -5.22 115.29 107.18 2jml s HIS 0 Ca 0.12 0.12 -0.25 0.00 -3.00 0.00 0.00 55.06 52.05 2jml s HIS 0 Cb -0.00 0.56 0.07 0.00 -4.00 0.00 0.00 32.58 29.21 2jml s HIS 0 CO -0.01 -0.60 0.81 1.41 -1.00 0.00 0.00 174.74 175.35 2jml s MET 1 N -3.14 1.23 0.08 -0.38 -2.45 -1.26 -5.20 119.30 108.17 2jml s MET 1 Ca 0.07 -0.58 -0.09 0.00 -1.25 0.00 0.00 55.69 53.84 2jml s MET 1 Cb -0.01 0.48 -0.00 0.00 1.25 0.00 0.00 34.83 36.55 2jml s MET 1 CO -0.06 -0.55 0.18 0.95 1.05 0.00 0.00 175.02 176.59 2jml s THR 2 N -3.47 0.14 0.07 10.11 -4.23 -1.26 -4.47 115.64 112.52 2jml s THR 2 Ca 0.07 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 2jml s THR 2 Cb -0.02 -1.25 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 2jml s THR 2 CO -0.04 -0.63 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.59 2jml s LEU 3 N -2.69 2.41 0.46 4.79 2.01 -0.47 -4.92 118.68 120.26 2jml s LEU 3 Ca 0.03 -0.82 -0.04 0.00 0.01 0.00 0.00 54.13 53.31 2jml s LEU 3 Cb 0.04 -0.05 -0.03 0.00 0.01 0.00 0.00 46.19 46.16 2jml s LEU 3 CO -0.09 -0.39 0.74 -0.13 1.01 0.00 0.00 176.35 177.48 2jml s ARG 4 N -2.96 3.49 0.23 1.70 0.52 -1.26 -0.02 118.95 120.65 2jml s ARG 4 Ca 0.02 0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.22 2jml s ARG 4 Cb -0.00 -2.44 0.39 0.00 0.52 0.00 0.00 34.95 33.42 2jml s ARG 4 CO -0.04 -0.16 1.71 0.97 0.02 0.00 0.00 175.30 177.80 2jml h ILE 5 N 0.32 0.61 -0.56 1.52 -0.00 -1.67 0.19 117.51 117.92 2jml h ILE 5 Ca -0.47 -0.11 0.11 0.00 -0.00 0.00 0.00 64.86 64.38 2jml h ILE 5 Cb 1.21 0.27 -0.08 0.00 -0.00 0.00 0.00 36.82 38.21 2jml h ILE 5 CO 0.61 0.06 0.08 0.03 -0.00 0.00 0.00 178.15 178.93 2jml h ARG 6 N 0.31 0.20 -0.38 2.19 3.08 -1.95 0.90 114.38 118.74 2jml h ARG 6 Ca 0.37 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.40 2jml h ARG 6 Cb 0.58 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2jml h ARG 6 CO -0.43 0.13 0.18 1.15 -1.07 0.00 0.00 179.97 179.93 2jml h THR 7 N 0.21 1.17 0.11 2.04 2.02 -1.41 0.20 112.91 117.24 2jml h THR 7 Ca 0.29 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jml h THR 7 Cb 0.43 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2jml h THR 7 CO -0.41 0.18 -0.08 0.40 0.37 0.00 0.00 175.52 175.99 2jml h ILE 8 N 0.48 0.83 -0.84 3.11 2.04 -0.43 -3.01 117.51 119.69 2jml h ILE 8 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 2jml h ILE 8 Cb 0.12 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2jml h ILE 8 CO -0.02 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.57 2jml h ALA 9 N 0.70 1.18 0.00 1.87 0.00 -0.76 -2.62 119.26 119.63 2jml h ALA 9 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jml h ALA 9 Cb 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jml h ALA 9 CO 0.00 0.64 0.25 0.54 0.00 0.00 0.00 179.25 180.68 2jml n ARG 10 N -4.32 0.07 -0.25 0.00 5.12 0.05 -0.14 116.66 117.18 2jml n ARG 10 Ca 0.09 0.51 0.20 0.00 -1.93 0.00 0.00 57.85 56.71 2jml n ARG 10 Cb 0.12 -1.97 0.52 0.00 -1.16 0.00 0.00 32.46 29.96 2jml n ARG 10 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2jml h MET 11 N 0.00 0.38 0.00 5.56 2.86 -1.51 -3.41 114.93 118.82 2jml h MET 11 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2jml h MET 11 Cb 0.49 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2jml h MET 11 CO 0.00 0.25 0.00 -2.37 1.06 0.00 0.00 176.91 175.85 2jml n THR 12 N -4.51 0.00 0.00 2.22 5.66 -0.30 -5.05 114.28 112.29 2jml n THR 12 Ca 0.20 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.20 2jml n THR 12 Cb 0.73 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 2jml n THR 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jml n GLY 13 N 0.00 0.98 0.37 1.09 0.00 0.80 -4.68 105.19 103.75 2jml n GLY 13 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2jml n GLY 13 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2jml h ILE 14 N 0.00 0.84 0.00 -0.61 -0.00 -1.97 0.11 117.51 115.89 2jml h ILE 14 Ca 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 64.86 64.69 2jml h ILE 14 Cb 0.00 0.36 -0.00 0.00 -0.00 0.00 0.00 36.82 37.17 2jml h ILE 14 CO 0.00 0.08 -0.06 0.03 -0.00 0.00 0.00 178.15 178.20 2jml h ARG 15 N 0.45 0.00 -0.61 0.16 3.08 -1.84 -3.30 114.38 112.32 2jml h ARG 15 Ca 0.34 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.44 2jml h ARG 15 Cb 0.70 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2jml h ARG 15 CO -0.11 0.06 0.34 1.49 -1.07 0.00 0.00 179.97 180.69 2jml h GLU 16 N 0.00 0.63 -0.19 0.04 4.22 -1.04 0.15 114.58 118.40 2jml h GLU 16 Ca -0.00 -0.04 0.05 0.00 0.08 0.00 0.00 59.36 59.46 2jml h GLU 16 Cb 0.45 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jml h GLU 16 CO 0.01 0.42 0.16 0.00 -2.18 0.00 0.00 179.01 177.42 2jml h ALA 17 N 1.31 1.99 0.17 2.92 0.00 -1.73 0.58 119.26 124.49 2jml h ALA 17 Ca 0.27 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.82 2jml h ALA 17 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jml h ALA 17 CO -0.16 -0.26 -1.76 0.00 0.00 0.00 0.00 179.25 177.08 2jml h THR 18 N 0.00 0.89 0.06 0.00 1.03 -1.07 -3.07 112.91 110.75 2jml h THR 18 Ca 0.09 -2.47 -0.00 0.00 -0.01 0.00 0.00 66.41 64.02 2jml h THR 18 Cb 0.41 2.71 0.00 0.00 -1.07 0.00 0.00 68.15 70.20 2jml h THR 18 CO -0.00 0.85 -0.03 -0.07 -0.01 0.00 0.00 175.52 176.26 2jml h LEU 19 N 0.05 -0.07 -1.28 0.00 3.38 -0.29 0.20 115.31 117.30 2jml h LEU 19 Ca -0.35 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 2jml h LEU 19 Cb 2.05 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.81 2jml h LEU 19 CO 0.15 0.12 -0.32 0.03 0.09 0.00 0.00 178.44 178.51 2jml h ARG 20 N -0.26 0.07 0.73 1.13 2.47 -1.10 -1.55 114.38 115.87 2jml h ARG 20 Ca -0.01 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 2jml h ARG 20 Cb 0.23 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2jml h ARG 20 CO 0.01 0.38 -0.35 0.00 0.56 0.00 0.00 179.97 180.57 2jml h ALA 21 N 1.62 -0.98 -0.82 0.04 0.00 -1.42 -3.31 119.26 114.39 2jml h ALA 21 Ca 0.01 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 54.87 2jml h ALA 21 Cb 0.60 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2jml h ALA 21 CO 0.04 -0.96 0.55 -1.49 0.00 0.00 0.00 179.25 177.39 2jml h TRP 22 N -1.17 0.47 -0.95 0.00 6.55 -0.23 0.11 115.95 120.73 2jml h TRP 22 Ca -0.10 0.01 0.28 0.00 0.95 0.00 0.00 58.89 60.04 2jml h TRP 22 Cb 0.77 -0.15 -0.17 0.00 -0.86 0.00 0.00 29.16 28.76 2jml h TRP 22 CO -0.00 0.15 0.16 1.49 -1.05 0.00 0.00 178.44 179.19 2jml h GLU 23 N 0.38 0.06 0.00 0.49 4.22 -1.38 0.35 114.58 118.70 2jml h GLU 23 Ca 0.41 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.85 2jml h GLU 23 Cb 1.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2jml h GLU 23 CO -0.14 0.04 -1.75 0.54 -2.18 0.00 0.00 179.01 175.53 2jml n ARG 24 N -5.38 0.61 0.00 1.92 1.74 0.03 -3.98 116.66 111.61 2jml n ARG 24 Ca 0.25 -0.15 -0.07 0.00 -0.77 0.00 0.00 57.85 57.11 2jml n ARG 24 Cb 0.81 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.68 2jml n ARG 24 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2jml h ARG 25 N 0.00 0.00 0.00 5.56 2.43 -0.17 -3.45 114.38 118.75 2jml h ARG 25 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jml h ARG 25 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2jml h ARG 25 CO 0.00 0.54 0.00 0.66 -1.51 0.00 0.00 179.97 179.66 2jml n TYR 26 N -3.07 -0.28 0.00 2.20 4.01 0.17 -4.99 117.16 115.19 2jml n TYR 26 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2jml n TYR 26 Cb 1.00 0.13 0.00 0.00 -0.31 0.00 0.00 39.34 40.16 2jml n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jml n GLY 27 N 0.17 2.08 3.77 2.72 0.00 0.10 -5.01 105.19 109.01 2jml n GLY 27 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2jml n GLY 27 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jml s PHE 28 N -2.19 3.82 0.31 1.61 2.19 -1.26 -2.02 117.98 120.44 2jml s PHE 28 Ca 0.00 1.49 -0.29 0.00 0.33 0.00 0.00 56.93 58.46 2jml s PHE 28 Cb 0.00 -2.73 -0.10 0.00 -1.31 0.00 0.00 43.02 38.88 2jml s PHE 28 CO 0.00 0.44 1.28 -1.25 1.83 0.00 0.00 175.22 177.52 2jml s PRO 29 N -0.72 4.40 -0.14 10.12 0.04 -1.26 -4.38 135.00 143.06 2jml s PRO 29 Ca 0.35 2.13 -0.20 0.00 0.04 0.00 0.00 61.00 63.33 2jml s PRO 29 Cb -0.21 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2jml s PRO 29 CO 0.23 -0.14 0.55 0.50 0.04 0.00 0.00 177.00 178.19 2jml s ARG 30 N -1.50 4.31 0.31 4.56 3.52 -0.85 -4.84 118.95 124.46 2jml s ARG 30 Ca 0.49 0.56 -0.29 0.00 -0.13 0.00 0.00 55.73 56.36 2jml s ARG 30 Cb -0.38 -3.48 -0.10 0.00 -1.56 0.00 0.00 34.95 29.42 2jml s ARG 30 CO 0.49 0.02 1.38 -1.25 -0.81 0.00 0.00 175.30 175.13 2jml s PRO 31 N 1.06 4.28 0.00 5.12 0.04 -1.26 -4.84 135.00 139.40 2jml s PRO 31 Ca 0.28 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.63 2jml s PRO 31 Cb -0.16 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2jml s PRO 31 CO 0.12 -0.32 0.32 1.28 0.04 0.00 0.00 177.00 178.44 2jml n LEU 32 N 1.21 0.61 -4.92 -3.56 4.77 -0.92 -4.83 117.00 109.37 2jml n LEU 32 Ca 0.02 0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 56.03 2jml n LEU 32 Cb 0.41 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.63 2jml n LEU 32 CO 0.60 0.00 0.82 -0.13 -1.33 0.00 0.00 177.39 177.36 2jml s ARG 33 N -0.64 1.39 0.22 3.23 0.52 -1.26 -5.12 118.95 117.29 2jml s ARG 33 Ca 0.00 -0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 55.04 2jml s ARG 33 Cb 0.00 -1.91 0.06 0.00 0.52 0.00 0.00 34.95 33.61 2jml s ARG 33 CO 0.00 -1.94 0.18 -1.13 0.02 0.00 0.00 175.30 172.43 2jml n SER 34 N -3.50 -1.46 -4.02 0.23 3.41 -1.26 -4.98 113.62 102.04 2jml n SER 34 Ca 0.11 -0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 57.92 2jml n SER 34 Cb 0.60 -0.17 0.25 0.00 -0.26 0.00 0.00 64.21 64.63 2jml n SER 34 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jml s GLU 35 N -3.41 -1.41 0.00 4.33 2.12 -1.26 -4.94 118.70 114.12 2jml s GLU 35 Ca 0.12 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.74 2jml s GLU 35 Cb -0.01 -1.54 0.00 0.00 0.26 0.00 0.00 34.13 32.83 2jml s GLU 35 CO 0.09 -3.91 0.00 0.41 -0.54 0.00 0.00 175.26 171.31 2jml n GLY 36 N 0.11 0.58 0.32 -1.50 0.00 -1.26 -4.87 105.19 98.57 2jml n GLY 36 Ca 0.09 -2.16 0.03 0.00 0.00 0.00 0.00 46.02 43.98 2jml n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jml h ASN 37 N 0.00 0.55 -2.06 1.61 2.35 -2.06 -3.37 115.58 112.60 2jml h ASN 37 Ca 0.00 -0.02 -0.51 0.00 -0.55 0.00 0.00 56.30 55.22 2jml h ASN 37 Cb 0.00 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 2jml h ASN 37 CO 0.00 0.41 1.23 0.21 -1.65 0.00 0.00 177.43 177.63 2jml s ASN 38 N -6.62 5.60 1.03 5.81 2.47 -1.26 -5.00 114.94 116.98 2jml s ASN 38 Ca -0.09 -0.00 -0.15 0.00 0.42 0.00 0.00 52.86 53.04 2jml s ASN 38 Cb 0.17 -2.54 0.10 0.00 -1.45 0.00 0.00 41.25 37.54 2jml s ASN 38 CO 0.74 -2.18 0.41 -1.22 -3.72 0.00 0.00 177.10 171.13 2jml n TYR 39 N 11.52 -1.18 -1.55 0.43 4.01 -1.26 -4.76 117.16 124.36 2jml n TYR 39 Ca 0.15 0.17 -0.14 0.00 -0.16 0.00 0.00 57.90 57.92 2jml n TYR 39 Cb 0.51 -1.72 -0.09 0.00 -0.31 0.00 0.00 39.34 37.73 2jml n TYR 39 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jml n ARG 40 N -2.49 0.47 -3.68 -0.72 1.74 -1.26 -4.92 116.66 105.80 2jml n ARG 40 Ca 0.05 -0.89 -0.23 0.00 -0.77 0.00 0.00 57.85 56.01 2jml n ARG 40 Cb 0.57 -3.54 -0.02 0.00 -1.02 0.00 0.00 32.46 28.45 2jml n ARG 40 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jml s VAL 41 N 14.14 5.19 0.03 1.55 -7.23 -1.26 -1.61 120.40 131.20 2jml s VAL 41 Ca 0.93 -0.69 -0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2jml s VAL 41 Cb -0.17 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.90 2jml s VAL 41 CO 0.12 -0.42 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.15 2jml s TYR 42 N -2.12 0.38 0.73 2.82 2.02 0.98 -2.16 117.35 119.99 2jml s TYR 42 Ca 0.37 -0.71 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 2jml s TYR 42 Cb -0.09 -0.27 0.04 0.00 -0.40 0.00 0.00 41.96 41.23 2jml s TYR 42 CO 0.32 -0.24 1.10 0.45 -1.57 0.00 0.00 175.55 175.61 2jml s SER 43 N -1.96 5.11 0.30 2.29 0.15 -1.26 -1.37 113.70 116.95 2jml s SER 43 Ca -0.08 0.93 -0.02 0.00 0.70 0.00 0.00 55.95 57.49 2jml s SER 43 Cb -0.04 -1.64 0.46 0.00 -1.71 0.00 0.00 66.02 63.09 2jml s SER 43 CO -0.04 -1.52 1.97 0.03 1.20 0.00 0.00 173.24 174.88 2jml h ARG 44 N -0.74 1.07 0.11 5.44 2.47 -1.98 -0.88 114.38 119.87 2jml h ARG 44 Ca -0.45 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.20 2jml h ARG 44 Cb 1.28 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2jml h ARG 44 CO 0.64 0.71 -0.05 1.05 0.56 0.00 0.00 179.97 182.88 2jml h GLU 45 N 1.10 -0.14 0.08 0.04 4.11 -1.97 0.23 114.58 118.03 2jml h GLU 45 Ca 0.31 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.77 2jml h GLU 45 Cb -0.10 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2jml h GLU 45 CO -0.07 -0.03 -0.27 0.93 0.07 0.00 0.00 179.01 179.64 2jml h GLU 46 N -0.21 -0.44 -0.46 1.06 3.07 -1.91 -0.15 114.58 115.54 2jml h GLU 46 Ca -0.01 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 2jml h GLU 46 Cb 0.17 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 2jml h GLU 46 CO 0.02 -0.29 0.21 0.28 -1.40 0.00 0.00 179.01 177.83 2jml h VAL 47 N -0.46 0.92 -0.44 3.13 2.07 -1.04 0.30 116.25 120.73 2jml h VAL 47 Ca 0.04 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2jml h VAL 47 Cb 0.50 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2jml h VAL 47 CO -0.18 0.08 0.27 -0.08 0.02 0.00 0.00 177.57 177.67 2jml h GLU 48 N 0.42 0.59 0.69 1.57 4.81 -0.38 0.83 114.58 123.11 2jml h GLU 48 Ca 0.21 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2jml h GLU 48 Cb 0.15 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2jml h GLU 48 CO -0.17 0.43 -0.42 0.00 -0.73 0.00 0.00 179.01 178.12 2jml h ALA 49 N 1.13 -1.08 -0.26 2.92 0.00 -0.70 -3.07 119.26 118.20 2jml h ALA 49 Ca 0.16 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 49 Cb -0.01 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2jml h ALA 49 CO -0.03 -1.12 -0.07 0.28 0.00 0.00 0.00 179.25 178.31 2jml h VAL 50 N -1.05 0.73 -0.84 0.00 2.07 -0.09 0.24 116.25 117.31 2jml h VAL 50 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2jml h VAL 50 Cb 0.84 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2jml h VAL 50 CO 0.09 0.00 0.55 0.08 0.02 0.00 0.00 177.57 178.31 2jml h ARG 51 N -0.00 0.91 0.19 1.57 0.11 -0.95 0.26 114.38 116.47 2jml h ARG 51 Ca 0.13 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 2jml h ARG 51 Cb 0.19 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2jml h ARG 51 CO -0.27 0.60 -0.09 -0.09 0.10 0.00 0.00 179.97 180.22 2jml h ARG 52 N 0.93 -0.24 -0.33 0.08 2.43 -1.12 -1.22 114.38 114.92 2jml h ARG 52 Ca 0.36 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 2jml h ARG 52 Cb 0.22 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.74 2jml h ARG 52 CO -0.13 0.17 -0.43 0.28 -1.51 0.00 0.00 179.97 178.35 2jml h VAL 53 N -0.79 0.12 -0.27 0.20 2.07 -0.40 0.15 116.25 117.33 2jml h VAL 53 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2jml h VAL 53 Cb 0.52 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2jml h VAL 53 CO 0.04 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.72 2jml h ALA 54 N 0.34 1.65 -0.23 1.67 0.00 -0.52 0.27 119.26 122.44 2jml h ALA 54 Ca 0.12 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 2jml h ALA 54 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jml h ALA 54 CO -0.53 0.28 -0.54 -0.09 0.00 0.00 0.00 179.25 178.36 2jml h ARG 55 N 0.38 0.77 -0.79 0.00 2.43 -0.59 -3.01 114.38 113.56 2jml h ARG 55 Ca 0.09 -0.53 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2jml h ARG 55 Cb 0.12 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 2jml h ARG 55 CO -0.01 1.15 0.48 -0.07 -1.51 0.00 0.00 179.97 180.02 2jml h LEU 56 N 0.51 0.94 -1.78 3.80 -0.00 0.00 -2.19 115.31 116.60 2jml h LEU 56 Ca -0.00 -0.05 0.06 0.00 -0.00 0.00 0.00 57.88 57.89 2jml h LEU 56 Cb 1.16 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.56 2jml h LEU 56 CO 0.12 0.72 0.26 0.40 -0.00 0.00 0.00 178.44 179.94 2jml h ILE 57 N 1.09 0.95 0.00 1.22 5.03 -0.49 -0.30 117.51 125.00 2jml h ILE 57 Ca 0.29 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.93 2jml h ILE 57 Cb -0.06 0.65 0.00 0.00 -3.03 0.00 0.00 36.82 34.38 2jml h ILE 57 CO -0.05 0.05 0.00 1.56 -0.68 0.00 0.00 178.15 179.03 2jml h GLN 58 N 0.27 0.00 0.15 2.37 1.08 -1.25 -0.94 115.11 116.79 2jml h GLN 58 Ca 0.17 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.06 2jml h GLN 58 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 2jml h GLN 58 CO -0.03 0.00 -1.56 0.93 -0.95 0.00 0.00 178.83 177.22 2jml h GLU 59 N 0.00 0.31 0.00 1.46 5.08 -1.13 -3.46 114.58 116.84 2jml h GLU 59 Ca 0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2jml h GLU 59 Cb 0.15 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jml h GLU 59 CO 0.00 1.26 0.00 0.39 -1.00 0.00 0.00 179.01 179.66 2jml n GLU 60 N -3.78 0.00 0.00 2.33 1.02 -1.13 -5.06 120.64 114.02 2jml n GLU 60 Ca -0.25 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2jml n GLU 60 Cb 0.98 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jml n GLY 61 N 0.24 2.79 0.42 0.62 0.00 -0.37 -4.84 105.19 104.05 2jml n GLY 61 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 2jml n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jml h LEU 62 N 0.00 0.32 0.00 0.99 5.85 -1.92 -0.67 115.31 119.88 2jml h LEU 62 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2jml h LEU 62 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2jml h LEU 62 CO 0.00 0.10 0.11 -1.20 -0.34 0.00 0.00 178.44 177.10 2jml n SER 63 N -4.48 0.00 0.00 1.25 7.64 -1.26 -1.26 113.62 115.51 2jml n SER 63 Ca 0.22 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2jml n SER 63 Cb 0.85 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 2jml n SER 63 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2jml n VAL 64 N -1.23 0.00 -0.03 0.44 0.31 -0.26 -0.86 118.33 116.70 2jml n VAL 64 Ca 0.00 1.06 -0.08 0.00 -0.01 0.00 0.00 64.34 65.31 2jml n VAL 64 Cb 0.11 -1.83 0.09 0.00 -0.91 0.00 0.00 33.84 31.30 2jml n VAL 64 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2jml h SER 65 N 0.00 0.66 0.74 4.52 0.87 -1.44 -2.01 113.55 116.90 2jml h SER 65 Ca 0.00 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.24 2jml h SER 65 Cb 0.00 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2jml h SER 65 CO 0.00 0.97 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.59 2jml h GLU 66 N 0.52 -0.96 0.00 2.24 4.39 -1.31 0.82 114.58 120.29 2jml h GLU 66 Ca 0.05 0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2jml h GLU 66 Cb 0.89 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2jml h GLU 66 CO 0.08 -0.62 -0.46 0.00 -1.16 0.00 0.00 179.01 176.85 2jml h ALA 67 N -1.00 0.89 0.49 3.43 0.00 -1.05 0.25 119.26 122.27 2jml h ALA 67 Ca -0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2jml h ALA 67 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jml h ALA 67 CO 0.17 0.57 -0.23 0.82 0.00 0.00 0.00 179.25 180.58 2jml h ILE 68 N 0.00 0.48 -0.87 0.00 2.04 -1.41 0.56 117.51 118.31 2jml h ILE 68 Ca -0.00 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2jml h ILE 68 Cb 1.06 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 2jml h ILE 68 CO 0.06 0.05 0.56 0.00 0.00 0.00 0.00 178.15 178.82 2jml h ALA 69 N -0.41 1.14 0.35 1.87 0.00 -0.64 -0.49 119.26 121.09 2jml h ALA 69 Ca -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2jml h ALA 69 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2jml h ALA 69 CO 0.11 0.41 -0.28 1.96 0.00 0.00 0.00 179.25 181.44 2jml h GLN 70 N 1.09 -0.59 0.00 0.00 4.20 -0.51 0.19 115.11 119.48 2jml h GLN 70 Ca 0.35 0.04 -0.00 0.00 0.06 0.00 0.00 58.65 59.09 2jml h GLN 70 Cb 0.00 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 2jml h GLN 70 CO -0.12 -0.39 -0.02 -0.24 -0.67 0.00 0.00 178.83 177.39 2jml h VAL 71 N -0.61 0.48 0.09 -0.54 3.04 -0.64 0.36 116.25 118.43 2jml h VAL 71 Ca -0.05 -0.10 -0.27 0.00 -1.01 0.00 0.00 66.70 65.27 2jml h VAL 71 Cb 0.51 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 2jml h VAL 71 CO 0.00 0.02 -1.27 0.11 -1.01 0.00 0.00 177.57 175.42 2jml h LYS 72 N 0.00 0.20 0.00 4.17 1.57 -1.02 -3.35 116.57 118.14 2jml h LYS 72 Ca -0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2jml h LYS 72 Cb 0.07 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2jml h LYS 72 CO 0.00 1.12 -0.67 0.00 -0.57 0.00 0.00 179.45 179.34 2jml h THR 73 N 0.05 0.00 -4.27 -0.16 1.03 0.62 -3.47 112.91 106.71 2jml h THR 73 Ca -0.14 -0.72 -0.52 0.00 -0.01 0.00 0.00 66.41 65.02 2jml h THR 73 Cb 1.94 1.34 0.18 0.00 -1.07 0.00 0.00 68.15 70.54 2jml h THR 73 CO 0.17 0.00 0.26 -1.61 -0.01 0.00 0.00 175.52 174.33 2jml s GLU 74 N -3.24 1.33 0.02 0.00 2.02 0.12 -4.98 118.70 113.96 2jml s GLU 74 Ca 0.04 1.51 -0.30 0.00 0.02 0.00 0.00 54.97 56.24 2jml s GLU 74 Cb 0.11 -1.77 -0.06 0.00 0.10 0.00 0.00 34.13 32.52 2jml s GLU 74 CO 0.73 -2.40 1.33 -1.25 0.02 0.00 0.00 175.26 173.70 2jml s PRO 75 N -4.62 4.33 0.35 0.39 0.04 -1.26 -5.00 135.00 129.23 2jml s PRO 75 Ca 0.67 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 2jml s PRO 75 Cb -0.22 -3.47 -0.09 0.00 0.04 0.00 0.00 34.50 30.75 2jml s PRO 75 CO 0.56 -0.47 1.21 -1.25 0.04 0.00 0.00 177.00 177.09 2jml s PRO 76 N 1.89 4.26 -0.21 0.56 0.04 -1.26 -5.04 135.00 135.24 2jml s PRO 76 Ca 0.62 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 63.56 2jml s PRO 76 Cb -0.31 -2.91 0.09 0.00 0.04 0.00 0.00 34.50 31.41 2jml s PRO 76 CO 0.27 -0.19 0.45 0.50 0.04 0.00 0.00 177.00 178.07 2jml s ARG 77 N -1.96 0.36 0.00 4.56 6.06 -1.26 -5.29 118.95 121.42 2jml s ARG 77 Ca 0.52 1.06 0.00 0.00 -2.50 0.00 0.00 55.73 54.81 2jml s ARG 77 Cb -0.34 0.35 0.00 0.00 0.06 0.00 0.00 34.95 35.02 2jml s ARG 77 CO 0.44 -0.24 0.17 -1.91 -2.50 0.00 0.00 175.30 171.27