#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 1.61 0.20 1.61 0.01 -1.26 -5.17 113.70 110.70 2jml s SER -1 Ca 0.00 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 56.01 2jml s SER -1 Cb 0.00 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 2jml s SER -1 CO 0.00 -0.52 0.25 -1.00 0.41 0.00 0.00 173.24 172.38 2jml s HIS 0 N -3.50 0.75 0.29 2.43 0.09 -1.26 -5.20 115.29 108.89 2jml s HIS 0 Ca 0.26 -1.05 -0.17 0.00 -0.00 0.00 0.00 55.06 54.10 2jml s HIS 0 Cb 0.06 -0.23 0.02 0.00 -0.00 0.00 0.00 32.58 32.42 2jml s HIS 0 CO 0.07 -0.75 0.66 1.41 -0.00 0.00 0.00 174.74 176.13 2jml s MET 1 N -4.07 1.81 0.03 1.40 -2.45 -1.26 -5.20 119.30 109.57 2jml s MET 1 Ca 0.28 -1.17 0.00 0.00 -1.25 0.00 0.00 55.69 53.56 2jml s MET 1 Cb 0.04 0.57 -0.02 0.00 1.25 0.00 0.00 34.83 36.67 2jml s MET 1 CO 0.08 -0.82 -0.03 0.95 1.05 0.00 0.00 175.02 176.25 2jml s THR 2 N -3.62 0.16 0.11 10.11 -4.23 -1.26 -5.10 115.64 111.81 2jml s THR 2 Ca 0.15 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 2jml s THR 2 Cb -0.04 -0.46 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 2jml s THR 2 CO 0.09 -0.56 0.11 -0.76 -0.54 0.00 0.00 174.62 172.96 2jml s LEU 3 N -1.67 1.71 0.17 4.79 2.01 -1.23 -5.07 118.68 119.39 2jml s LEU 3 Ca -0.12 -0.99 -0.08 0.00 0.01 0.00 0.00 54.13 52.95 2jml s LEU 3 Cb -0.08 0.60 -0.01 0.00 0.01 0.00 0.00 46.19 46.71 2jml s LEU 3 CO -0.02 -0.73 0.26 0.00 1.01 0.00 0.00 176.35 176.87 2jml s ARG 4 N -3.97 1.16 0.45 1.70 3.03 -1.26 -1.65 118.95 118.41 2jml s ARG 4 Ca 0.15 -1.23 0.21 0.00 2.03 0.00 0.00 55.73 56.88 2jml s ARG 4 Cb 0.06 0.36 1.18 0.00 -1.03 0.00 0.00 34.95 35.52 2jml s ARG 4 CO -0.04 -0.42 1.88 0.97 -1.13 0.00 0.00 175.30 176.56 2jml h ILE 5 N 2.56 0.67 -0.03 4.99 6.09 -1.76 -1.70 117.51 128.33 2jml h ILE 5 Ca -0.32 -0.10 0.01 0.00 -1.37 0.00 0.00 64.86 63.08 2jml h ILE 5 Cb 1.23 0.35 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 2jml h ILE 5 CO 0.49 0.05 0.05 -0.09 -3.07 0.00 0.00 178.15 175.58 2jml h ARG 6 N 0.30 0.00 0.04 2.19 2.43 -1.98 0.16 114.38 117.52 2jml h ARG 6 Ca 0.43 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.47 2jml h ARG 6 Cb 1.22 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2jml h ARG 6 CO -0.13 0.00 -0.55 1.15 -1.51 0.00 0.00 179.97 178.93 2jml h THR 7 N 0.00 1.50 -0.61 0.20 2.02 -1.74 -3.04 112.91 111.25 2jml h THR 7 Ca 0.02 -2.19 -0.05 0.00 0.77 0.00 0.00 66.41 64.95 2jml h THR 7 Cb 0.11 2.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 2jml h THR 7 CO -0.00 0.62 0.17 0.40 0.37 0.00 0.00 175.52 177.08 2jml h ILE 8 N -0.31 1.25 -0.17 3.11 2.04 -1.05 -2.47 117.51 119.90 2jml h ILE 8 Ca -0.08 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2jml h ILE 8 Cb 1.32 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2jml h ILE 8 CO 0.11 0.33 0.04 0.00 0.00 0.00 0.00 178.15 178.62 2jml h ALA 9 N 1.05 0.18 -0.14 1.87 0.00 -0.95 -3.09 119.26 118.18 2jml h ALA 9 Ca 0.19 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2jml h ALA 9 Cb 0.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jml h ALA 9 CO -0.00 -0.40 0.51 -0.09 0.00 0.00 0.00 179.25 179.27 2jml h ARG 10 N 0.11 0.00 -0.48 0.00 2.43 -1.31 0.21 114.38 115.35 2jml h ARG 10 Ca 0.08 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.38 2jml h ARG 10 Cb 0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2jml h ARG 10 CO -0.10 0.00 0.39 0.52 -1.51 0.00 0.00 179.97 179.28 2jml h MET 11 N 0.00 0.00 0.00 0.20 2.86 -1.47 -3.37 114.93 113.15 2jml h MET 11 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2jml h MET 11 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2jml h MET 11 CO -0.00 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.22 2jml n THR 12 N -4.13 0.00 0.00 2.22 -2.24 -0.31 -5.04 114.28 104.79 2jml n THR 12 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2jml n THR 12 Cb 0.60 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2jml n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jml n GLY 13 N 0.00 1.02 0.27 3.38 0.00 0.60 -4.65 105.19 105.82 2jml n GLY 13 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.64 0.00 -0.61 -2.65 -1.96 -1.82 117.51 111.10 2jml h ILE 14 Ca 0.00 -0.28 -0.01 0.00 1.03 0.00 0.00 64.86 65.60 2jml h ILE 14 Cb 0.00 1.17 -0.00 0.00 -2.05 0.00 0.00 36.82 35.94 2jml h ILE 14 CO 0.00 0.07 -0.04 0.03 0.03 0.00 0.00 178.15 178.24 2jml h ARG 15 N 0.00 0.00 -0.93 0.16 2.47 -1.82 -3.23 114.38 111.03 2jml h ARG 15 Ca -0.00 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.83 2jml h ARG 15 Cb 0.17 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.41 2jml h ARG 15 CO 0.01 0.04 0.56 1.49 0.56 0.00 0.00 179.97 182.63 2jml h GLU 16 N 0.00 0.88 -0.50 0.04 4.81 -1.59 0.13 114.58 118.36 2jml h GLU 16 Ca -0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2jml h GLU 16 Cb 0.35 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2jml h GLU 16 CO 0.01 0.58 0.33 0.00 -0.73 0.00 0.00 179.01 179.20 2jml h ALA 17 N 1.50 1.80 -0.06 2.92 0.00 -1.79 -1.15 119.26 122.48 2jml h ALA 17 Ca 0.45 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 2jml h ALA 17 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jml h ALA 17 CO -0.26 0.14 -0.29 0.00 0.00 0.00 0.00 179.25 178.85 2jml h THR 18 N 0.53 1.44 -0.04 0.00 1.03 -1.02 -3.04 112.91 111.82 2jml h THR 18 Ca 0.20 -1.73 -0.00 0.00 -0.01 0.00 0.00 66.41 64.87 2jml h THR 18 Cb 0.14 2.38 -0.00 0.00 -1.07 0.00 0.00 68.15 69.60 2jml h THR 18 CO -0.05 0.49 0.02 -0.07 -0.01 0.00 0.00 175.52 175.90 2jml h LEU 19 N -0.23 0.05 -1.56 0.00 3.38 -0.41 0.29 115.31 116.85 2jml h LEU 19 Ca -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2jml h LEU 19 Cb 0.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2jml h LEU 19 CO 0.06 0.18 0.00 0.08 0.09 0.00 0.00 178.44 178.85 2jml h ARG 20 N -0.07 0.00 0.03 1.13 -0.00 -1.40 -2.61 114.38 111.46 2jml h ARG 20 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.99 2jml h ARG 20 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.11 2jml h ARG 20 CO -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 179.97 179.96 2jml h ALA 21 N 2.04 -0.04 -0.92 0.08 0.00 -1.22 -3.37 119.26 115.83 2jml h ALA 21 Ca 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 54.91 54.86 2jml h ALA 21 Cb 0.40 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2jml h ALA 21 CO 0.00 -0.05 0.64 -1.49 0.00 0.00 0.00 179.25 178.34 2jml h TRP 22 N -0.97 0.23 -0.93 0.00 6.55 -0.30 0.77 115.95 121.30 2jml h TRP 22 Ca -0.00 0.01 0.17 0.00 0.95 0.00 0.00 58.89 60.01 2jml h TRP 22 Cb 0.60 -0.07 -0.08 0.00 -0.86 0.00 0.00 29.16 28.75 2jml h TRP 22 CO 0.16 0.05 0.59 1.49 -1.05 0.00 0.00 178.44 179.68 2jml h GLU 23 N 0.16 0.63 0.00 0.49 4.22 -1.63 0.23 114.58 118.68 2jml h GLU 23 Ca 0.46 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.81 2jml h GLU 23 Cb 1.54 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2jml h GLU 23 CO -0.09 0.42 -1.93 0.54 -2.18 0.00 0.00 179.01 175.78 2jml n ARG 24 N -4.60 0.66 0.10 1.92 1.74 -0.05 -3.96 116.66 112.47 2jml n ARG 24 Ca 0.19 -0.13 -0.16 0.00 -0.77 0.00 0.00 57.85 56.98 2jml n ARG 24 Cb 0.55 -1.56 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.27 0.00 5.56 2.43 -0.29 -3.44 114.38 118.91 2jml h ARG 25 Ca -0.06 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2jml h ARG 25 Cb 1.15 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2jml h ARG 25 CO 0.00 1.20 0.00 0.66 -1.51 0.00 0.00 179.97 180.33 2jml n TYR 26 N -3.52 0.00 -1.03 2.20 4.01 0.53 -5.00 117.16 114.35 2jml n TYR 26 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2jml n TYR 26 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 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 0.06 0.59 3.16 2.72 0.00 0.42 -5.02 105.19 107.12 2jml n GLY 27 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 2.01 1.18 1.61 2.19 -1.26 -3.82 117.98 117.89 2jml s PHE 28 Ca 0.00 -0.68 -0.13 0.00 0.33 0.00 0.00 56.93 56.45 2jml s PHE 28 Cb 0.00 -1.36 0.29 0.00 -1.31 0.00 0.00 43.02 40.64 2jml s PHE 28 CO 0.00 -0.26 1.02 -1.25 1.83 0.00 0.00 175.22 176.56 2jml s PRO 29 N 0.20 -1.04 -0.36 10.12 0.04 -1.26 -4.48 135.00 138.22 2jml s PRO 29 Ca -0.10 0.76 0.02 0.00 0.04 0.00 0.00 61.00 61.72 2jml s PRO 29 Cb -0.14 -1.55 0.10 0.00 0.04 0.00 0.00 34.50 32.95 2jml s PRO 29 CO 0.04 -3.78 0.09 -0.98 0.04 0.00 0.00 177.00 172.41 2jml s ARG 30 N -4.49 1.68 0.12 4.56 1.04 -1.25 -4.82 118.95 115.80 2jml s ARG 30 Ca 0.68 -1.83 -0.33 0.00 -1.04 0.00 0.00 55.73 53.22 2jml s ARG 30 Cb -0.25 -3.30 -0.13 0.00 -2.04 0.00 0.00 34.95 29.23 2jml s ARG 30 CO 0.64 -0.96 1.70 -0.35 -0.04 0.00 0.00 175.30 176.30 2jml n PRO 31 N 4.37 2.37 -1.86 3.89 -0.04 -1.26 -4.91 135.00 137.56 2jml n PRO 31 Ca 0.01 0.86 -0.35 0.00 -0.04 0.00 0.00 63.50 63.98 2jml n PRO 31 Cb 0.42 -2.68 0.05 0.00 -0.04 0.00 0.00 33.50 31.25 2jml n PRO 31 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2jml s LEU 32 N 1.80 3.56 -0.67 1.53 1.43 -0.48 -4.89 118.68 120.95 2jml s LEU 32 Ca 0.81 2.35 -0.26 0.00 -1.03 0.00 0.00 54.13 56.00 2jml s LEU 32 Cb -0.62 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 40.94 2jml s LEU 32 CO 0.39 -1.75 2.19 0.00 0.23 0.00 0.00 176.35 177.41 2jml s ARG 33 N -3.53 2.18 0.16 1.70 1.70 -1.26 -4.78 118.95 115.12 2jml s ARG 33 Ca 0.76 0.66 -0.23 0.00 -0.47 0.00 0.00 55.73 56.45 2jml s ARG 33 Cb -0.29 -4.68 0.08 0.00 -0.57 0.00 0.00 34.95 29.49 2jml s ARG 33 CO 0.37 -3.46 1.07 -1.12 -1.08 0.00 0.00 175.30 171.07 2jml s SER 34 N 10.09 0.00 1.03 -2.89 0.01 -1.26 -5.17 113.70 115.51 2jml s SER 34 Ca 0.84 -0.62 -0.12 0.00 1.31 0.00 0.00 55.95 57.35 2jml s SER 34 Cb -0.13 0.46 0.21 0.00 0.21 0.00 0.00 66.02 66.77 2jml s SER 34 CO 0.15 -0.91 1.08 -0.70 0.41 0.00 0.00 173.24 173.27 2jml s GLU 35 N -2.15 0.19 0.00 12.44 2.12 -1.26 -5.00 118.70 125.03 2jml s GLU 35 Ca 0.23 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.14 2jml s GLU 35 Cb -0.02 -1.70 0.00 0.00 0.26 0.00 0.00 34.13 32.66 2jml s GLU 35 CO 0.05 -2.91 0.00 0.41 -0.54 0.00 0.00 175.26 172.26 2jml n GLY 36 N -0.75 2.46 0.41 -1.50 0.00 -1.26 -4.77 105.19 99.78 2jml n GLY 36 Ca 0.05 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 2jml n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jml n ASN 37 N 0.00 1.66 0.31 1.61 4.13 -1.26 -4.61 115.26 117.09 2jml n ASN 37 Ca 0.00 0.27 0.20 0.00 1.68 0.00 0.00 54.58 56.73 2jml n ASN 37 Cb 0.00 -0.60 0.95 0.00 -1.54 0.00 0.00 39.78 38.59 2jml n ASN 37 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2jml h ASN 38 N -0.66 0.00 -4.29 6.41 -1.24 -2.05 -3.43 115.58 110.31 2jml h ASN 38 Ca -0.01 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jml h ASN 38 Cb 0.67 0.00 -0.25 0.00 0.73 0.00 0.00 38.32 39.48 2jml h ASN 38 CO -0.00 0.00 -0.82 -0.31 -1.29 0.00 0.00 177.43 175.01 2jml s TYR 39 N -3.90 1.55 -0.14 0.67 1.51 -1.26 -5.11 117.35 110.67 2jml s TYR 39 Ca -0.02 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2jml s TYR 39 Cb 0.11 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 41.05 2jml s TYR 39 CO 0.47 0.08 -0.18 1.03 -1.11 0.00 0.00 175.55 175.84 2jml s ARG 40 N -1.28 3.16 0.30 -0.62 0.52 -1.26 -4.53 118.95 115.24 2jml s ARG 40 Ca 0.05 -0.79 -0.28 0.00 -0.52 0.00 0.00 55.73 54.19 2jml s ARG 40 Cb -0.09 -2.54 -0.09 0.00 0.52 0.00 0.00 34.95 32.75 2jml s ARG 40 CO 0.02 0.04 1.02 0.14 0.02 0.00 0.00 175.30 176.54 2jml s VAL 41 N 0.72 3.82 0.17 3.52 -7.23 -1.26 -1.95 120.40 118.20 2jml s VAL 41 Ca -0.08 1.70 -0.06 0.00 -1.81 0.00 0.00 61.98 61.73 2jml s VAL 41 Cb -0.16 -4.02 -0.02 0.00 0.56 0.00 0.00 36.38 32.74 2jml s VAL 41 CO 0.01 0.30 0.21 -0.31 -0.31 0.00 0.00 175.10 175.00 2jml s TYR 42 N -1.34 0.69 0.32 2.82 2.02 -0.66 -1.39 117.35 119.82 2jml s TYR 42 Ca 0.47 -1.02 0.08 0.00 -0.37 0.00 0.00 57.07 56.23 2jml s TYR 42 Cb -0.26 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 2jml s TYR 42 CO 0.33 -0.68 0.17 0.45 -1.57 0.00 0.00 175.55 174.25 2jml s SER 43 N -3.04 4.93 0.27 2.29 0.15 -1.26 -3.53 113.70 113.52 2jml s SER 43 Ca 0.25 -0.62 0.01 0.00 0.70 0.00 0.00 55.95 56.29 2jml s SER 43 Cb 0.05 -0.89 0.38 0.00 -1.71 0.00 0.00 66.02 63.85 2jml s SER 43 CO 0.04 -0.25 1.72 -0.09 1.20 0.00 0.00 173.24 175.87 2jml h ARG 44 N 1.50 0.56 0.43 5.44 9.65 -1.99 -1.83 114.38 128.14 2jml h ARG 44 Ca -0.45 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.22 2jml h ARG 44 Cb 1.25 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.78 2jml h ARG 44 CO 0.61 0.73 -0.36 1.05 2.80 0.00 0.00 179.97 184.80 2jml h GLU 45 N 0.50 -0.74 -0.67 0.20 4.11 -2.00 0.31 114.58 116.29 2jml h GLU 45 Ca 0.08 0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 2jml h GLU 45 Cb 0.64 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2jml h GLU 45 CO 0.05 -0.50 0.38 1.05 0.07 0.00 0.00 179.01 180.06 2jml h GLU 46 N -0.77 0.91 -0.96 1.06 4.11 -2.00 -2.59 114.58 114.35 2jml h GLU 46 Ca -0.06 -0.09 0.04 0.00 0.07 0.00 0.00 59.36 59.33 2jml h GLU 46 Cb 0.65 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2jml h GLU 46 CO -0.00 0.66 0.62 0.28 0.07 0.00 0.00 179.01 180.64 2jml h VAL 47 N 0.92 1.14 0.08 -1.06 2.07 -1.11 0.21 116.25 118.51 2jml h VAL 47 Ca 0.24 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2jml h VAL 47 Cb -0.00 -0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.60 2jml h VAL 47 CO -0.04 0.21 -0.17 -0.08 0.02 0.00 0.00 177.57 177.51 2jml h GLU 48 N 1.17 -0.31 -0.12 1.57 4.57 -0.53 0.24 114.58 121.17 2jml h GLU 48 Ca 0.39 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.63 2jml h GLU 48 Cb 0.06 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 2jml h GLU 48 CO -0.13 -0.21 -0.13 0.00 -1.18 0.00 0.00 179.01 177.37 2jml h ALA 49 N 0.53 -0.04 -0.74 2.92 0.00 -1.32 -1.94 119.26 118.67 2jml h ALA 49 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jml h ALA 49 Cb 0.35 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2jml h ALA 49 CO -0.11 -0.58 0.48 0.28 0.00 0.00 0.00 179.25 179.33 2jml h VAL 50 N -0.15 1.19 -0.44 0.00 2.07 -0.35 0.18 116.25 118.74 2jml h VAL 50 Ca 0.09 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2jml h VAL 50 Cb 0.28 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2jml h VAL 50 CO -0.21 0.19 0.21 -0.09 0.02 0.00 0.00 177.57 177.69 2jml h ARG 51 N 1.00 0.41 0.57 1.57 2.43 -0.31 0.30 114.38 120.35 2jml h ARG 51 Ca 0.27 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 2jml h ARG 51 Cb -0.11 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2jml h ARG 51 CO -0.06 0.27 -0.46 0.00 -1.51 0.00 0.00 179.97 178.22 2jml h ARG 52 N 0.43 -0.96 -0.27 0.20 3.08 -0.86 -1.97 114.38 114.03 2jml h ARG 52 Ca 0.19 0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.37 2jml h ARG 52 Cb 0.11 0.22 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 2jml h ARG 52 CO -0.14 -0.64 -0.37 0.28 -1.07 0.00 0.00 179.97 178.02 2jml h VAL 53 N -1.00 0.19 -0.54 2.04 2.07 -0.35 0.18 116.25 118.84 2jml h VAL 53 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.55 2jml h VAL 53 Cb 0.83 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2jml h VAL 53 CO 0.01 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.65 2jml h ALA 54 N 0.44 0.57 0.00 1.67 0.00 -0.44 0.93 119.26 122.42 2jml h ALA 54 Ca 0.12 0.14 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2jml h ALA 54 Cb 0.57 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2jml h ALA 54 CO -0.47 -0.35 -0.41 -0.09 0.00 0.00 0.00 179.25 177.93 2jml h ARG 55 N 0.18 0.00 -0.62 0.00 1.12 -0.82 -2.98 114.38 111.26 2jml h ARG 55 Ca 0.28 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 59.07 2jml h ARG 55 Cb 0.42 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.35 2jml h ARG 55 CO -0.41 0.41 0.06 -0.07 -3.11 0.00 0.00 179.97 176.85 2jml h LEU 56 N 0.00 0.99 -1.07 3.80 -0.00 0.33 -3.05 115.31 116.31 2jml h LEU 56 Ca -0.00 -0.25 0.09 0.00 -0.00 0.00 0.00 57.88 57.71 2jml h LEU 56 Cb 1.12 -0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 41.44 2jml h LEU 56 CO 0.05 1.01 0.62 0.40 -0.00 0.00 0.00 178.44 180.53 2jml h ILE 57 N 0.96 1.02 0.00 1.22 5.03 -0.70 -0.94 117.51 124.11 2jml h ILE 57 Ca 0.19 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.56 2jml h ILE 57 Cb 0.47 -0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.13 2jml h ILE 57 CO 0.02 0.19 0.04 0.00 -0.68 0.00 0.00 178.15 177.72 2jml n GLN 58 N -4.53 0.13 0.14 2.37 1.13 -1.15 -0.67 117.38 114.80 2jml n GLN 58 Ca 0.16 0.63 0.05 0.00 -1.94 0.00 0.00 57.00 55.90 2jml n GLN 58 Cb 0.25 -1.98 0.04 0.00 0.11 0.00 0.00 30.24 28.67 2jml n GLN 58 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2jml h GLU 59 N 0.00 0.00 0.00 -1.09 4.39 -1.28 -3.47 114.58 113.13 2jml h GLU 59 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jml h GLU 59 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2jml h GLU 59 CO 0.00 0.31 0.00 0.39 -1.16 0.00 0.00 179.01 178.55 2jml n GLU 60 N -3.10 0.00 0.00 2.33 1.02 0.16 -5.06 120.64 115.99 2jml n GLU 60 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2jml n GLU 60 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.11 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 -1.36 1.10 0.40 0.62 0.00 -0.56 -4.96 105.19 100.44 2jml n GLY 61 Ca 0.00 -0.22 0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 0.37 -0.10 0.99 5.85 -1.93 -0.61 115.31 119.89 2jml h LEU 62 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jml h LEU 62 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2jml h LEU 62 CO 0.00 0.15 0.14 -1.20 -0.34 0.00 0.00 178.44 177.18 2jml n SER 63 N -4.49 0.04 0.00 1.25 7.64 -1.26 -1.15 113.62 115.64 2jml n SER 63 Ca 0.19 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2jml n SER 63 Cb 0.72 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 -1.44 0.00 -0.09 0.44 0.31 -0.24 -1.16 118.33 116.16 2jml n VAL 64 Ca -0.00 1.43 -0.14 0.00 -0.01 0.00 0.00 64.34 65.62 2jml n VAL 64 Cb 0.14 -2.27 -0.04 0.00 -0.91 0.00 0.00 33.84 30.76 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 0.85 0.86 4.52 0.87 -1.53 -3.07 113.55 116.04 2jml h SER 65 Ca 0.00 -0.51 -0.04 0.00 -1.23 0.00 0.00 61.79 60.01 2jml h SER 65 Cb 0.00 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2jml h SER 65 CO 0.00 1.19 -0.41 -0.33 -0.53 0.00 0.00 176.83 176.75 2jml h GLU 66 N 0.53 -1.11 0.00 2.24 5.08 -1.25 0.18 114.58 120.26 2jml h GLU 66 Ca 0.03 0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2jml h GLU 66 Cb 0.99 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2jml h GLU 66 CO 0.09 -0.73 -0.27 0.00 -1.00 0.00 0.00 179.01 177.10 2jml h ALA 67 N -1.23 1.09 0.51 3.43 0.00 -1.27 0.27 119.26 122.07 2jml h ALA 67 Ca -0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2jml h ALA 67 Cb 0.89 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jml h ALA 67 CO 0.19 0.33 -0.25 0.82 0.00 0.00 0.00 179.25 180.35 2jml h ILE 68 N 0.00 0.46 -0.73 0.00 2.04 -1.55 -0.77 117.51 116.97 2jml h ILE 68 Ca -0.00 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2jml h ILE 68 Cb 0.71 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 2jml h ILE 68 CO 0.03 0.04 0.44 0.00 0.00 0.00 0.00 178.15 178.66 2jml h ALA 69 N -0.41 0.97 0.20 1.87 0.00 -0.13 0.29 119.26 122.05 2jml h ALA 69 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jml h ALA 69 Cb 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jml h ALA 69 CO 0.12 0.19 -0.29 1.96 0.00 0.00 0.00 179.25 181.23 2jml h GLN 70 N 0.84 -0.49 0.00 0.00 4.20 -0.55 0.25 115.11 119.36 2jml h GLN 70 Ca 0.30 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 2jml h GLN 70 Cb 0.09 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2jml h GLN 70 CO -0.14 -0.32 -0.02 -0.24 -0.67 0.00 0.00 178.83 177.44 2jml h VAL 71 N -0.50 0.08 0.00 -0.54 3.04 -0.84 0.14 116.25 117.64 2jml h VAL 71 Ca -0.02 -0.31 -0.07 0.00 -1.01 0.00 0.00 66.70 65.29 2jml h VAL 71 Cb 0.46 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 2jml h VAL 71 CO -0.08 0.02 -0.71 0.11 -1.01 0.00 0.00 177.57 175.90 2jml h LYS 72 N 0.00 0.00 0.00 4.17 1.57 -0.85 -3.37 116.57 118.09 2jml h LYS 72 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2jml h LYS 72 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2jml h LYS 72 CO 0.00 0.21 -1.67 -2.37 -0.57 0.00 0.00 179.45 175.05 2jml n THR 73 N -2.98 0.89 -2.01 -0.16 5.66 0.07 -4.89 114.28 110.85 2jml n THR 73 Ca -0.01 -0.66 -0.35 0.00 -3.05 0.00 0.00 64.05 59.98 2jml n THR 73 Cb 0.66 -0.48 0.03 0.00 -1.55 0.00 0.00 70.33 68.99 2jml n THR 73 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2jml s GLU 74 N -3.03 3.03 0.59 1.09 2.02 0.36 -5.06 118.70 117.69 2jml s GLU 74 Ca -0.05 1.62 -0.15 0.00 0.02 0.00 0.00 54.97 56.42 2jml s GLU 74 Cb 0.09 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 2jml s GLU 74 CO 0.83 -1.11 1.03 -1.25 0.02 0.00 0.00 175.26 174.78 2jml s PRO 75 N -3.54 3.51 0.80 0.39 0.04 -1.26 -4.91 135.00 130.03 2jml s PRO 75 Ca 0.73 1.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 2jml s PRO 75 Cb -0.25 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.30 2jml s PRO 75 CO 0.33 -0.64 1.09 -1.25 0.04 0.00 0.00 177.00 176.57 2jml s PRO 76 N -4.37 2.03 -0.37 0.56 0.04 -1.26 -5.07 135.00 126.55 2jml s PRO 76 Ca 0.60 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.45 2jml s PRO 76 Cb -0.13 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.69 2jml s PRO 76 CO 0.40 -1.69 0.68 -0.98 0.04 0.00 0.00 177.00 175.45 2jml s ARG 77 N -5.08 0.67 0.00 4.56 1.70 -1.26 -5.30 118.95 114.25 2jml s ARG 77 Ca 0.61 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.81 2jml s ARG 77 Cb -0.15 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 2jml s ARG 77 CO 0.55 -1.03 0.16 0.39 -1.08 0.00 0.00 175.30 174.30