#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 -0.01 0.23 1.61 0.01 -1.26 -5.21 113.70 109.07 2jml s SER -1 Ca 0.00 -0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 2jml s SER -1 Cb 0.00 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 2jml s SER -1 CO 0.00 -0.10 0.43 -1.38 0.41 0.00 0.00 173.24 172.60 2jml s HIS 0 N -2.08 0.42 0.07 2.43 0.00 -1.26 -5.23 115.29 109.64 2jml s HIS 0 Ca 0.21 -0.77 -0.27 0.00 -3.00 0.00 0.00 55.06 51.23 2jml s HIS 0 Cb 0.04 0.10 0.08 0.00 -4.00 0.00 0.00 32.58 28.81 2jml s HIS 0 CO -0.05 -0.93 0.92 -1.64 -1.00 0.00 0.00 174.74 172.04 2jml s MET 1 N -4.02 0.99 0.08 -0.38 1.00 -1.26 -5.18 119.30 110.54 2jml s MET 1 Ca 0.23 -0.46 -0.13 0.00 0.00 0.00 0.00 55.69 55.32 2jml s MET 1 Cb 0.00 0.39 0.05 0.00 0.00 0.00 0.00 34.83 35.27 2jml s MET 1 CO 0.08 -0.44 0.63 2.41 0.00 0.00 0.00 175.02 177.70 2jml n THR 2 N -0.35 0.00 -4.48 2.05 -1.04 -1.26 -4.37 114.28 104.83 2jml n THR 2 Ca -0.08 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.41 2jml n THR 2 Cb 0.61 0.43 -0.09 0.00 -1.82 0.00 0.00 70.33 69.47 2jml n THR 2 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jml s LEU 3 N 0.00 2.00 0.99 -4.42 2.01 -1.26 -4.97 118.68 113.03 2jml s LEU 3 Ca 0.14 -1.58 -0.12 0.00 0.01 0.00 0.00 54.13 52.58 2jml s LEU 3 Cb -0.01 -0.15 0.18 0.00 0.01 0.00 0.00 46.19 46.22 2jml s LEU 3 CO 0.03 -0.84 1.09 -0.13 1.01 0.00 0.00 176.35 177.50 2jml s ARG 4 N -3.78 0.50 0.28 1.70 1.81 -1.26 -3.73 118.95 114.47 2jml s ARG 4 Ca 0.28 0.62 -0.00 0.00 -1.72 0.00 0.00 55.73 54.90 2jml s ARG 4 Cb 0.04 -1.74 0.63 0.00 -0.45 0.00 0.00 34.95 33.44 2jml s ARG 4 CO 0.15 -2.71 1.64 0.97 -0.68 0.00 0.00 175.30 174.67 2jml h ILE 5 N -1.88 0.32 -1.04 1.52 -0.00 -1.91 0.71 117.51 115.23 2jml h ILE 5 Ca -0.54 -0.06 0.29 0.00 -0.00 0.00 0.00 64.86 64.55 2jml h ILE 5 Cb 1.32 0.12 -0.13 0.00 -0.00 0.00 0.00 36.82 38.14 2jml h ILE 5 CO 0.56 0.03 0.63 0.03 -0.00 0.00 0.00 178.15 179.40 2jml h ARG 6 N 0.18 0.41 0.04 2.19 3.08 -1.93 0.17 114.38 118.53 2jml h ARG 6 Ca 0.51 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 60.27 2jml h ARG 6 Cb 1.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 2jml h ARG 6 CO -0.66 0.27 -1.41 1.15 -1.07 0.00 0.00 179.97 178.25 2jml h THR 7 N 0.42 1.24 -0.43 2.04 2.02 -1.21 -2.69 112.91 114.30 2jml h THR 7 Ca 0.68 -2.98 -0.03 0.00 0.77 0.00 0.00 66.41 64.85 2jml h THR 7 Cb 1.53 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 70.61 2jml h THR 7 CO -0.47 0.77 0.14 0.40 0.37 0.00 0.00 175.52 176.73 2jml h ILE 8 N 0.02 1.22 -0.18 3.11 2.04 -0.80 -3.13 117.51 119.80 2jml h ILE 8 Ca -0.18 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 2jml h ILE 8 Cb 1.93 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 2jml h ILE 8 CO 0.12 0.25 0.05 0.00 0.00 0.00 0.00 178.15 178.58 2jml h ALA 9 N 0.99 0.24 0.00 1.87 0.00 -0.83 -3.00 119.26 118.53 2jml h ALA 9 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jml h ALA 9 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jml h ALA 9 CO -0.01 -0.13 0.58 0.00 0.00 0.00 0.00 179.25 179.70 2jml h ARG 10 N 0.10 0.00 -0.75 0.00 2.47 -1.42 0.35 114.38 115.13 2jml h ARG 10 Ca 0.06 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 58.97 2jml h ARG 10 Cb 0.26 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 2jml h ARG 10 CO 0.00 0.00 0.52 0.52 0.56 0.00 0.00 179.97 181.57 2jml h MET 11 N 0.00 0.17 0.00 0.04 2.86 -1.47 -3.41 114.93 113.11 2jml h MET 11 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2jml h MET 11 Cb 1.16 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2jml h MET 11 CO 0.00 0.11 0.00 2.41 1.06 0.00 0.00 176.91 180.49 2jml n THR 12 N -4.40 0.00 0.00 2.22 -1.04 -0.30 -5.03 114.28 105.73 2jml n THR 12 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2jml n THR 12 Cb 0.70 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 2jml n THR 12 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jml n GLY 13 N -0.44 2.61 0.12 3.41 0.00 0.11 -4.83 105.19 106.17 2jml n GLY 13 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jml n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jml h ILE 14 N 0.00 1.12 0.00 -0.61 -0.00 -1.96 -1.61 117.51 114.45 2jml h ILE 14 Ca 0.00 -0.34 -0.00 0.00 -0.00 0.00 0.00 64.86 64.52 2jml h ILE 14 Cb 0.00 0.97 -0.00 0.00 -0.00 0.00 0.00 36.82 37.79 2jml h ILE 14 CO 0.00 0.12 -0.01 0.08 -0.00 0.00 0.00 178.15 178.33 2jml h ARG 15 N 0.22 0.00 -0.61 2.19 0.11 -1.88 -3.29 114.38 111.12 2jml h ARG 15 Ca 0.07 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.25 2jml h ARG 15 Cb 0.09 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.10 2jml h ARG 15 CO -0.01 0.01 0.23 1.49 0.10 0.00 0.00 179.97 181.79 2jml h GLU 16 N 0.00 0.39 -0.24 0.08 4.22 -1.57 0.39 114.58 117.85 2jml h GLU 16 Ca -0.00 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.49 2jml h GLU 16 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2jml h GLU 16 CO 0.00 0.26 0.18 0.00 -2.18 0.00 0.00 179.01 177.27 2jml h ALA 17 N 1.42 2.17 0.13 2.92 0.00 -1.71 -0.85 119.26 123.34 2jml h ALA 17 Ca 0.31 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 17 Cb 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jml h ALA 17 CO -0.31 -0.31 -1.62 1.15 0.00 0.00 0.00 179.25 178.16 2jml h THR 18 N 0.00 0.90 0.07 0.00 2.02 -0.81 -3.11 112.91 111.98 2jml h THR 18 Ca 0.11 -2.39 -0.00 0.00 0.77 0.00 0.00 66.41 64.90 2jml h THR 18 Cb 0.48 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2jml h THR 18 CO -0.00 0.76 -0.03 -0.07 0.37 0.00 0.00 175.52 176.54 2jml h LEU 19 N -0.17 -0.08 -1.36 2.58 3.38 -0.01 0.22 115.31 119.87 2jml h LEU 19 Ca -0.35 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 2jml h LEU 19 Cb 1.87 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2jml h LEU 19 CO 0.07 0.13 -0.31 0.03 0.09 0.00 0.00 178.44 178.46 2jml h ARG 20 N -0.29 0.00 0.92 1.13 3.08 -1.38 -1.15 114.38 116.69 2jml h ARG 20 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2jml h ARG 20 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2jml h ARG 20 CO 0.02 0.31 -0.44 0.00 -1.07 0.00 0.00 179.97 178.78 2jml h ALA 21 N 1.69 -1.25 -0.96 0.04 0.00 -1.42 -3.24 119.26 114.13 2jml h ALA 21 Ca -0.00 -0.27 0.26 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 21 Cb 0.61 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 2jml h ALA 21 CO 0.04 -1.16 0.48 -1.49 0.00 0.00 0.00 179.25 177.12 2jml h TRP 22 N -1.32 0.80 -0.90 0.00 6.55 -0.18 0.23 115.95 121.13 2jml h TRP 22 Ca -0.13 0.04 0.25 0.00 0.95 0.00 0.00 58.89 60.00 2jml h TRP 22 Cb 0.95 -0.20 -0.15 0.00 -0.86 0.00 0.00 29.16 28.90 2jml h TRP 22 CO 0.00 -0.08 0.24 1.49 -1.05 0.00 0.00 178.44 179.04 2jml h GLU 23 N 0.40 0.17 0.00 0.49 4.22 -1.24 0.50 114.58 119.12 2jml h GLU 23 Ca 0.64 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 60.06 2jml h GLU 23 Cb 1.30 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2jml h GLU 23 CO -0.55 0.11 -1.37 -2.13 -2.18 0.00 0.00 179.01 172.89 2jml n ARG 24 N -5.25 0.33 -0.08 1.92 0.63 0.18 -4.41 116.66 109.97 2jml n ARG 24 Ca 0.23 -0.08 -0.15 0.00 -0.92 0.00 0.00 57.85 56.93 2jml n ARG 24 Cb 0.73 -1.49 -0.14 0.00 0.45 0.00 0.00 32.46 32.01 2jml n ARG 24 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2jml n ARG 25 N -1.79 0.68 0.09 -0.14 0.63 0.57 -4.94 116.66 111.77 2jml n ARG 25 Ca 0.01 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2jml n ARG 25 Cb 0.42 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.74 2jml n ARG 25 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jml n TYR 26 N -3.11 -2.43 0.00 -0.14 4.01 0.49 -4.99 117.16 110.99 2jml n TYR 26 Ca -0.36 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2jml n TYR 26 Cb 1.06 1.40 0.00 0.00 -0.31 0.00 0.00 39.34 41.49 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 0.03 1.58 3.49 2.72 0.00 0.15 -4.97 105.19 108.19 2jml n GLY 27 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2jml n GLY 27 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jml n PHE 28 N 0.00 -0.26 -1.26 1.61 -0.00 -1.26 -4.60 117.46 111.68 2jml n PHE 28 Ca 0.00 0.52 -0.30 0.00 -0.00 0.00 0.00 57.45 57.66 2jml n PHE 28 Cb 0.00 -2.02 0.24 0.00 -0.00 0.00 0.00 39.48 37.70 2jml n PHE 28 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2jml s PRO 29 N -1.92 -1.14 -0.22 -7.13 0.04 -1.26 -4.66 135.00 118.72 2jml s PRO 29 Ca 0.66 -0.27 -0.28 0.00 0.04 0.00 0.00 61.00 61.15 2jml s PRO 29 Cb -0.52 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2jml s PRO 29 CO 0.56 -3.62 2.04 -0.98 0.04 0.00 0.00 177.00 175.03 2jml s ARG 30 N -5.61 3.35 0.42 4.56 1.70 -1.26 -4.98 118.95 117.14 2jml s ARG 30 Ca 0.73 1.92 -0.23 0.00 -0.47 0.00 0.00 55.73 57.68 2jml s ARG 30 Cb -0.06 -4.28 -0.08 0.00 -0.57 0.00 0.00 34.95 29.95 2jml s ARG 30 CO 0.55 -1.84 1.08 -1.25 -1.08 0.00 0.00 175.30 172.76 2jml s PRO 31 N 5.82 4.03 0.55 3.89 0.04 -1.26 -4.83 135.00 143.24 2jml s PRO 31 Ca 0.92 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 63.35 2jml s PRO 31 Cb -0.31 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2jml s PRO 31 CO 0.35 -0.27 1.08 -0.51 0.04 0.00 0.00 177.00 177.68 2jml s LEU 32 N -2.80 3.67 -1.15 -3.56 1.43 -0.35 -4.93 118.68 110.98 2jml s LEU 32 Ca 0.60 1.98 -0.21 0.00 -1.03 0.00 0.00 54.13 55.47 2jml s LEU 32 Cb -0.23 -4.56 0.06 0.00 0.03 0.00 0.00 46.19 41.49 2jml s LEU 32 CO 0.29 -1.11 1.59 -0.60 0.23 0.00 0.00 176.35 176.75 2jml s ARG 33 N -3.58 3.78 0.14 1.70 3.52 -1.26 -4.71 118.95 118.54 2jml s ARG 33 Ca 0.68 -1.55 0.03 0.00 -0.13 0.00 0.00 55.73 54.76 2jml s ARG 33 Cb -0.19 -5.44 -0.01 0.00 -1.56 0.00 0.00 34.95 27.75 2jml s ARG 33 CO 0.29 -2.23 0.10 -1.13 -0.81 0.00 0.00 175.30 171.52 2jml n SER 34 N 8.64 -0.05 -4.40 -2.12 3.41 -1.26 -5.17 113.62 112.68 2jml n SER 34 Ca 0.41 -1.86 -0.29 0.00 -0.26 0.00 0.00 58.87 56.87 2jml n SER 34 Cb 0.49 0.61 0.24 0.00 -0.26 0.00 0.00 64.21 65.28 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 -2.54 -0.84 0.00 4.33 2.12 -1.26 -4.98 118.70 115.52 2jml s GLU 35 Ca 0.14 0.57 0.00 0.00 0.36 0.00 0.00 54.97 56.05 2jml s GLU 35 Cb 0.01 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.81 2jml s GLU 35 CO 0.10 -3.60 0.00 0.41 -0.54 0.00 0.00 175.26 171.63 2jml n GLY 36 N 0.17 1.25 0.05 -1.50 0.00 -1.26 -4.78 105.19 99.12 2jml n GLY 36 Ca 0.05 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 1.20 0.18 1.61 4.13 -1.26 -4.51 115.26 116.61 2jml n ASN 37 Ca 0.00 0.26 0.12 0.00 1.68 0.00 0.00 54.58 56.64 2jml n ASN 37 Cb 0.00 -0.67 0.64 0.00 -1.54 0.00 0.00 39.78 38.22 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 -0.63 0.00 -4.29 6.41 -1.24 -2.05 -3.43 115.58 110.36 2jml h ASN 38 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.62 2jml h ASN 38 Cb 0.57 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 39.43 2jml h ASN 38 CO 0.00 0.00 -0.76 -0.31 -1.29 0.00 0.00 177.43 175.07 2jml s TYR 39 N -3.59 1.24 0.12 0.67 1.51 -1.26 -5.09 117.35 110.95 2jml s TYR 39 Ca -0.02 -0.55 0.11 0.00 -1.01 0.00 0.00 57.07 55.60 2jml s TYR 39 Cb 0.07 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 2jml s TYR 39 CO 0.25 0.08 -0.27 1.03 -1.11 0.00 0.00 175.55 175.53 2jml s ARG 40 N -2.38 1.42 -0.01 -0.62 0.52 -1.26 -4.61 118.95 112.00 2jml s ARG 40 Ca 0.04 -1.31 -0.13 0.00 -0.52 0.00 0.00 55.73 53.81 2jml s ARG 40 Cb -0.06 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.48 2jml s ARG 40 CO 0.02 0.45 0.36 0.14 0.02 0.00 0.00 175.30 176.29 2jml s VAL 41 N -1.04 5.11 0.22 3.52 -7.23 -1.26 -2.88 120.40 116.84 2jml s VAL 41 Ca 0.13 0.71 -0.02 0.00 -1.81 0.00 0.00 61.98 60.99 2jml s VAL 41 Cb -0.10 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2jml s VAL 41 CO 0.06 0.57 0.19 -0.31 -0.31 0.00 0.00 175.10 175.30 2jml s TYR 42 N -1.09 1.07 0.35 2.82 2.02 -1.24 -1.21 117.35 120.06 2jml s TYR 42 Ca 0.23 -1.29 0.05 0.00 -0.37 0.00 0.00 57.07 55.69 2jml s TYR 42 Cb -0.16 -0.45 -0.07 0.00 -0.40 0.00 0.00 41.96 40.89 2jml s TYR 42 CO 0.12 -0.71 0.03 0.45 -1.57 0.00 0.00 175.55 173.87 2jml s SER 43 N -3.15 2.91 0.26 2.29 0.15 -1.26 -4.15 113.70 110.75 2jml s SER 43 Ca 0.36 -1.36 0.01 0.00 0.70 0.00 0.00 55.95 55.67 2jml s SER 43 Cb 0.06 -0.20 0.34 0.00 -1.71 0.00 0.00 66.02 64.51 2jml s SER 43 CO 0.12 -0.53 1.67 0.03 1.20 0.00 0.00 173.24 175.73 2jml h ARG 44 N 2.01 0.48 -0.95 5.44 2.47 -1.98 -0.79 114.38 121.07 2jml h ARG 44 Ca -0.42 -0.21 0.07 0.00 -1.26 0.00 0.00 59.98 58.16 2jml h ARG 44 Cb 1.24 -0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.48 2jml h ARG 44 CO 0.73 0.75 0.61 1.05 0.56 0.00 0.00 179.97 183.68 2jml h GLU 45 N 0.42 1.04 0.10 0.04 4.11 -1.97 -0.71 114.58 117.60 2jml h GLU 45 Ca 0.05 -0.06 -0.22 0.00 0.07 0.00 0.00 59.36 59.20 2jml h GLU 45 Cb 0.77 -0.23 0.02 0.00 0.50 0.00 0.00 28.75 29.81 2jml h GLU 45 CO 0.06 0.69 -0.93 0.93 0.07 0.00 0.00 179.01 179.83 2jml h GLU 46 N 1.07 0.46 -0.86 1.06 5.08 -1.68 -2.48 114.58 117.23 2jml h GLU 46 Ca 0.42 -0.62 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2jml h GLU 46 Cb 0.23 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2jml h GLU 46 CO -0.17 1.26 0.53 0.28 -1.00 0.00 0.00 179.01 179.91 2jml h VAL 47 N -0.05 1.02 -0.13 3.13 2.07 -1.11 0.45 116.25 121.64 2jml h VAL 47 Ca -0.14 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2jml h VAL 47 Cb 1.66 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2jml h VAL 47 CO 0.18 0.17 -0.06 -0.08 0.02 0.00 0.00 177.57 177.80 2jml h GLU 48 N 0.95 -0.04 -0.23 1.57 4.57 -1.13 0.15 114.58 120.42 2jml h GLU 48 Ca 0.38 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.60 2jml h GLU 48 Cb 0.20 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 2jml h GLU 48 CO -0.18 -0.03 -0.02 0.00 -1.18 0.00 0.00 179.01 177.60 2jml h ALA 49 N 1.08 0.19 -0.42 2.92 0.00 -0.93 -1.55 119.26 120.56 2jml h ALA 49 Ca 0.07 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.13 2jml h ALA 49 Cb 0.15 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2jml h ALA 49 CO -0.16 -0.44 0.00 0.28 0.00 0.00 0.00 179.25 178.94 2jml h VAL 50 N 0.05 0.68 -0.91 0.00 2.07 -0.68 0.94 116.25 118.40 2jml h VAL 50 Ca 0.11 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.65 2jml h VAL 50 Cb 0.15 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2jml h VAL 50 CO -0.20 0.02 0.60 -0.09 0.02 0.00 0.00 177.57 177.92 2jml h ARG 51 N 0.11 1.05 0.40 1.57 1.12 -0.03 0.34 114.38 118.94 2jml h ARG 51 Ca 0.21 -0.06 -0.02 0.00 -1.11 0.00 0.00 59.98 58.99 2jml h ARG 51 Cb 0.30 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.02 2jml h ARG 51 CO -0.34 0.69 -0.19 0.00 -3.11 0.00 0.00 179.97 177.02 2jml h ARG 52 N 1.08 -0.51 -0.12 0.20 3.08 -0.92 -3.09 114.38 114.09 2jml h ARG 52 Ca 0.38 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.50 2jml h ARG 52 Cb 0.13 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 2jml h ARG 52 CO -0.13 -0.34 -0.49 0.28 -1.07 0.00 0.00 179.97 178.21 2jml h VAL 53 N -0.65 0.06 -1.00 2.04 2.07 -0.28 0.99 116.25 119.49 2jml h VAL 53 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.62 2jml h VAL 53 Cb 0.41 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 2jml h VAL 53 CO 0.09 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.29 2jml h ALA 54 N -0.13 1.57 -0.51 1.67 0.00 -0.53 0.23 119.26 121.57 2jml h ALA 54 Ca 0.05 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 54 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jml h ALA 54 CO -0.42 0.10 -0.12 -0.09 0.00 0.00 0.00 179.25 178.72 2jml h ARG 55 N 0.88 0.99 -0.69 0.00 2.43 -1.22 -2.50 114.38 114.26 2jml h ARG 55 Ca 0.53 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2jml h ARG 55 Cb 0.67 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2jml h ARG 55 CO -0.32 1.05 0.37 1.25 -1.51 0.00 0.00 179.97 180.81 2jml h LEU 56 N 0.85 0.86 -1.04 3.80 7.12 0.74 -2.08 115.31 125.57 2jml h LEU 56 Ca 0.13 -0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.11 2jml h LEU 56 Cb 0.69 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.54 2jml h LEU 56 CO 0.05 0.71 0.64 0.40 -0.13 0.00 0.00 178.44 180.11 2jml h ILE 57 N 0.97 1.16 0.00 4.05 5.03 -0.45 -1.64 117.51 126.63 2jml h ILE 57 Ca 0.24 -0.42 0.00 0.00 -0.12 0.00 0.00 64.86 64.56 2jml h ILE 57 Cb 0.05 -0.18 0.00 0.00 -3.03 0.00 0.00 36.82 33.66 2jml h ILE 57 CO -0.04 0.22 0.04 1.56 -0.68 0.00 0.00 178.15 179.26 2jml h GLN 58 N 1.23 0.00 0.18 2.37 1.08 -0.92 -0.32 115.11 118.73 2jml h GLN 58 Ca 0.40 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.26 2jml h GLN 58 Cb 0.03 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2jml h GLN 58 CO -0.13 0.00 -1.67 0.93 -0.95 0.00 0.00 178.83 177.01 2jml h GLU 59 N 0.00 0.37 0.00 1.46 5.08 -1.29 -3.46 114.58 116.74 2jml h GLU 59 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2jml h GLU 59 Cb 0.08 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2jml h GLU 59 CO 0.00 1.28 0.00 0.39 -1.00 0.00 0.00 179.01 179.68 2jml n GLU 60 N -3.57 0.00 0.00 2.33 1.02 -1.02 -5.06 120.64 114.34 2jml n GLU 60 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2jml n GLU 60 Cb 1.07 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 32.18 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 0.34 2.60 0.38 0.62 0.00 -0.16 -4.90 105.19 104.07 2jml n GLY 61 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 0.57 0.00 0.99 5.85 -1.90 0.38 115.31 121.20 2jml h LEU 62 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jml h LEU 62 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jml h LEU 62 CO 0.00 0.13 0.10 -1.20 -0.34 0.00 0.00 178.44 177.14 2jml n SER 63 N -4.71 0.00 0.00 1.25 7.64 -1.26 -1.04 113.62 115.49 2jml n SER 63 Ca 0.25 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2jml n SER 63 Cb 0.77 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.30 0.00 -0.01 0.44 0.31 0.12 -0.74 118.33 117.15 2jml n VAL 64 Ca 0.00 1.32 -0.04 0.00 -0.01 0.00 0.00 64.34 65.61 2jml n VAL 64 Cb 0.10 -2.13 0.18 0.00 -0.91 0.00 0.00 33.84 31.08 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 0.55 0.07 4.52 0.87 -1.31 -2.96 113.55 115.29 2jml h SER 65 Ca 0.00 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2jml h SER 65 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2jml h SER 65 CO 0.00 0.78 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.72 2jml h GLU 66 N 0.48 -0.09 0.00 2.24 3.07 -1.24 0.47 114.58 119.51 2jml h GLU 66 Ca 0.07 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2jml h GLU 66 Cb 0.68 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2jml h GLU 66 CO 0.05 0.46 -0.23 0.00 -1.40 0.00 0.00 179.01 177.88 2jml h ALA 67 N -0.28 1.10 0.77 3.43 0.00 -1.06 0.34 119.26 123.55 2jml h ALA 67 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2jml h ALA 67 Cb 0.59 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jml h ALA 67 CO 0.02 0.29 -0.37 0.82 0.00 0.00 0.00 179.25 180.01 2jml h ILE 68 N 0.00 0.00 -0.69 0.00 2.04 -1.57 -0.35 117.51 116.94 2jml h ILE 68 Ca -0.00 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.78 2jml h ILE 68 Cb 0.66 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2jml h ILE 68 CO 0.03 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.63 2jml h ALA 69 N -1.39 1.73 0.86 1.87 0.00 -0.54 -0.22 119.26 121.57 2jml h ALA 69 Ca -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2jml h ALA 69 Cb 0.79 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jml h ALA 69 CO 0.17 0.16 -0.47 1.96 0.00 0.00 0.00 179.25 181.08 2jml h GLN 70 N 0.71 -1.18 -0.02 0.00 4.20 -0.38 0.20 115.11 118.64 2jml h GLN 70 Ca 0.29 0.08 0.01 0.00 0.06 0.00 0.00 58.65 59.09 2jml h GLN 70 Cb 0.26 0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2jml h GLN 70 CO -0.09 -0.79 0.01 -0.24 -0.67 0.00 0.00 178.83 177.05 2jml h VAL 71 N -1.23 0.96 0.09 -0.54 3.04 -0.42 0.28 116.25 118.42 2jml h VAL 71 Ca -0.12 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.31 2jml h VAL 71 Cb 0.96 0.99 0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2jml h VAL 71 CO 0.16 0.00 -1.14 0.11 -1.01 0.00 0.00 177.57 175.69 2jml h LYS 72 N 0.00 0.37 0.00 4.17 1.57 -0.94 -3.29 116.57 118.45 2jml h LYS 72 Ca 0.01 -0.51 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 2jml h LYS 72 Cb 0.04 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2jml h LYS 72 CO -0.00 1.20 -0.43 0.00 -0.57 0.00 0.00 179.45 179.65 2jml h THR 73 N 0.15 0.40 -4.12 -0.16 1.03 -0.10 -3.46 112.91 106.65 2jml h THR 73 Ca -0.12 -1.58 -0.50 0.00 -0.01 0.00 0.00 66.41 64.19 2jml h THR 73 Cb 1.82 2.13 0.07 0.00 -1.07 0.00 0.00 68.15 71.10 2jml h THR 73 CO 0.19 0.23 0.41 -1.61 -0.01 0.00 0.00 175.52 174.73 2jml s GLU 74 N -3.10 3.28 0.56 0.00 2.02 0.94 -5.06 118.70 117.35 2jml s GLU 74 Ca 0.04 1.50 -0.17 0.00 0.02 0.00 0.00 54.97 56.36 2jml s GLU 74 Cb 0.07 -2.01 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 2jml s GLU 74 CO 0.72 -0.89 1.06 -1.25 0.02 0.00 0.00 175.26 174.93 2jml s PRO 75 N -3.52 3.44 0.65 0.39 0.04 -1.26 -4.93 135.00 129.80 2jml s PRO 75 Ca 0.70 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2jml s PRO 75 Cb -0.22 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2jml s PRO 75 CO 0.30 -0.72 1.07 -1.25 0.04 0.00 0.00 177.00 176.44 2jml s PRO 76 N -3.83 3.03 -0.28 0.56 0.04 -1.26 -5.07 135.00 128.18 2jml s PRO 76 Ca 0.65 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.85 2jml s PRO 76 Cb -0.16 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.56 2jml s PRO 76 CO 0.32 -1.04 0.52 0.50 0.04 0.00 0.00 177.00 177.34 2jml s ARG 77 N -4.47 0.50 0.00 4.56 3.00 -1.26 -5.30 118.95 115.98 2jml s ARG 77 Ca 0.62 0.61 0.13 0.00 -1.00 0.00 0.00 55.73 56.09 2jml s ARG 77 Cb -0.16 0.10 0.78 0.00 0.00 0.00 0.00 34.95 35.68 2jml s ARG 77 CO 0.45 -0.84 1.21 0.39 0.00 0.00 0.00 175.30 176.51