#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 1.31 0.07 1.61 0.01 -1.26 -5.19 113.70 110.25 2jml s SER -1 Ca 0.00 -1.66 -0.11 0.00 1.31 0.00 0.00 55.95 55.50 2jml s SER -1 Cb 0.00 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.78 2jml s SER -1 CO 0.00 -1.05 0.24 -2.28 0.41 0.00 0.00 173.24 170.55 2jml s HIS 0 N -3.53 0.04 0.23 2.43 2.46 -1.26 -5.20 115.29 110.46 2jml s HIS 0 Ca 0.39 -0.34 -0.09 0.00 0.47 0.00 0.00 55.06 55.49 2jml s HIS 0 Cb 0.03 0.01 -0.01 0.00 -0.13 0.00 0.00 32.58 32.48 2jml s HIS 0 CO 0.24 -0.52 0.38 1.41 -2.47 0.00 0.00 174.74 173.78 2jml s MET 1 N -3.24 1.45 0.07 2.88 -2.45 -1.26 -5.20 119.30 111.55 2jml s MET 1 Ca 0.00 -1.37 -0.08 0.00 -1.25 0.00 0.00 55.69 52.99 2jml s MET 1 Cb 0.02 0.41 -0.00 0.00 1.25 0.00 0.00 34.83 36.51 2jml s MET 1 CO -0.08 -0.57 0.16 0.95 1.05 0.00 0.00 175.02 176.53 2jml s THR 2 N -4.05 0.14 0.33 10.11 -4.23 -1.26 -4.96 115.64 111.72 2jml s THR 2 Ca 0.27 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2jml s THR 2 Cb 0.02 -1.19 -0.06 0.00 1.34 0.00 0.00 72.50 72.61 2jml s THR 2 CO 0.10 -0.63 0.07 -0.76 -0.54 0.00 0.00 174.62 172.86 2jml s LEU 3 N -2.57 2.10 0.42 4.79 2.01 -1.13 -4.94 118.68 119.35 2jml s LEU 3 Ca 0.01 -1.42 0.07 0.00 0.01 0.00 0.00 54.13 52.80 2jml s LEU 3 Cb 0.03 -0.31 -0.06 0.00 0.01 0.00 0.00 46.19 45.86 2jml s LEU 3 CO -0.08 -0.66 0.12 0.00 1.01 0.00 0.00 176.35 176.74 2jml s ARG 4 N -3.89 2.14 0.23 1.70 1.70 -1.26 -0.11 118.95 119.46 2jml s ARG 4 Ca 0.35 -1.95 -0.06 0.00 -0.47 0.00 0.00 55.73 53.59 2jml s ARG 4 Cb 0.08 -1.86 0.39 0.00 -0.57 0.00 0.00 34.95 33.00 2jml s ARG 4 CO 0.15 -0.11 1.71 0.97 -1.08 0.00 0.00 175.30 176.94 2jml h ILE 5 N 1.52 0.63 -1.01 4.99 -0.00 -1.94 -0.42 117.51 121.29 2jml h ILE 5 Ca -0.43 -0.12 0.11 0.00 -0.00 0.00 0.00 64.86 64.42 2jml h ILE 5 Cb 1.25 0.25 -0.08 0.00 -0.00 0.00 0.00 36.82 38.24 2jml h ILE 5 CO 0.74 0.06 0.64 -0.09 -0.00 0.00 0.00 178.15 179.50 2jml h ARG 6 N 0.35 1.01 -0.05 2.19 2.43 -1.96 0.17 114.38 118.52 2jml h ARG 6 Ca 0.38 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2jml h ARG 6 Cb 0.57 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2jml h ARG 6 CO -0.42 0.67 -0.09 1.15 -1.51 0.00 0.00 179.97 179.77 2jml h THR 7 N 1.04 1.42 -0.96 0.20 2.02 -1.54 -0.83 112.91 114.27 2jml h THR 7 Ca 0.48 -1.40 0.04 0.00 0.77 0.00 0.00 66.41 66.31 2jml h THR 7 Cb 0.42 2.23 -0.06 0.00 -1.74 0.00 0.00 68.15 69.00 2jml h THR 7 CO -0.24 0.38 0.62 0.40 0.37 0.00 0.00 175.52 177.05 2jml h ILE 8 N -0.36 1.13 -0.19 3.11 2.04 -0.54 -2.53 117.51 120.17 2jml h ILE 8 Ca 0.00 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2jml h ILE 8 Cb 0.67 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2jml h ILE 8 CO 0.02 0.21 -0.06 0.00 0.00 0.00 0.00 178.15 178.33 2jml h ALA 9 N 1.41 0.26 0.00 1.87 0.00 -0.72 -3.25 119.26 118.83 2jml h ALA 9 Ca 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jml h ALA 9 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jml h ALA 9 CO -0.14 0.05 0.31 0.00 0.00 0.00 0.00 179.25 179.47 2jml h ARG 10 N 0.09 0.00 -0.98 0.00 2.47 -0.70 0.24 114.38 115.50 2jml h ARG 10 Ca 0.05 0.00 0.20 0.00 -1.26 0.00 0.00 59.98 58.97 2jml h ARG 10 Cb 0.52 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.74 2jml h ARG 10 CO 0.02 0.00 0.62 0.52 0.56 0.00 0.00 179.97 181.69 2jml h MET 11 N 0.00 0.61 0.00 0.04 2.86 -1.57 -3.39 114.93 113.48 2jml h MET 11 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2jml h MET 11 Cb 0.61 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2jml h MET 11 CO 0.00 0.40 0.00 0.25 1.06 0.00 0.00 176.91 178.62 2jml n THR 12 N -4.66 0.00 0.00 2.22 -2.24 -0.09 -5.04 114.28 104.46 2jml n THR 12 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2jml n THR 12 Cb 0.64 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.87 0.36 3.38 0.00 0.67 -4.66 105.19 105.82 2jml n GLY 13 Ca 0.00 -0.00 0.11 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 0.79 0.00 -0.61 -0.00 -1.97 0.35 117.51 116.07 2jml h ILE 14 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 64.86 64.58 2jml h ILE 14 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 36.82 36.72 2jml h ILE 14 CO 0.00 0.15 0.00 -0.09 -0.00 0.00 0.00 178.15 178.21 2jml h ARG 15 N 0.82 0.00 -0.23 0.16 2.43 -1.83 -3.19 114.38 112.54 2jml h ARG 15 Ca 0.54 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.74 2jml h ARG 15 Cb 0.76 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2jml h ARG 15 CO -0.32 0.00 0.04 1.49 -1.51 0.00 0.00 179.97 179.67 2jml h GLU 16 N 0.00 0.12 -0.40 0.20 4.81 -1.18 0.15 114.58 118.27 2jml h GLU 16 Ca 0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 2jml h GLU 16 Cb 0.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2jml h GLU 16 CO 0.00 0.08 0.29 0.00 -0.73 0.00 0.00 179.01 178.65 2jml h ALA 17 N 1.17 2.37 0.06 2.92 0.00 -1.73 0.95 119.26 125.00 2jml h ALA 17 Ca 0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2jml h ALA 17 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jml h ALA 17 CO -0.15 -0.50 -0.59 1.15 0.00 0.00 0.00 179.25 179.16 2jml h THR 18 N 0.00 1.50 0.23 0.00 2.02 -1.48 -3.06 112.91 112.13 2jml h THR 18 Ca 0.19 -2.39 -0.00 0.00 0.77 0.00 0.00 66.41 64.98 2jml h THR 18 Cb 0.78 3.11 -0.01 0.00 -1.74 0.00 0.00 68.15 70.28 2jml h THR 18 CO -0.00 0.62 -0.20 -0.07 0.37 0.00 0.00 175.52 176.24 2jml h LEU 19 N -0.72 -0.52 -1.24 2.58 3.38 -0.05 0.91 115.31 119.65 2jml h LEU 19 Ca -0.13 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2jml h LEU 19 Cb 1.33 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 2jml h LEU 19 CO 0.03 -0.30 -0.04 0.08 0.09 0.00 0.00 178.44 178.30 2jml h ARG 20 N -0.45 0.47 -0.11 1.13 0.11 -1.03 -1.03 114.38 113.47 2jml h ARG 20 Ca -0.01 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 59.96 2jml h ARG 20 Cb 0.40 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 2jml h ARG 20 CO -0.02 0.53 0.04 0.00 0.10 0.00 0.00 179.97 180.61 2jml h ALA 21 N 1.52 0.14 -0.98 0.08 0.00 -1.39 -3.07 119.26 115.57 2jml h ALA 21 Ca 0.09 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2jml h ALA 21 Cb 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2jml h ALA 21 CO 0.01 -0.26 0.63 -1.49 0.00 0.00 0.00 179.25 178.15 2jml h TRP 22 N -0.00 1.17 -1.13 0.00 6.55 -0.32 0.31 115.95 122.53 2jml h TRP 22 Ca 0.03 0.03 0.32 0.00 0.95 0.00 0.00 58.89 60.22 2jml h TRP 22 Cb 0.20 -0.38 -0.07 0.00 -0.86 0.00 0.00 29.16 28.04 2jml h TRP 22 CO -0.01 0.62 0.77 1.49 -1.05 0.00 0.00 178.44 180.26 2jml h GLU 23 N 1.15 0.18 0.00 0.49 4.81 -1.10 0.36 114.58 120.46 2jml h GLU 23 Ca 0.42 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.49 2jml h GLU 23 Cb 0.15 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2jml h GLU 23 CO -0.16 0.12 -2.07 -2.13 -0.73 0.00 0.00 179.01 174.04 2jml n ARG 24 N -4.42 0.77 0.08 1.92 0.63 -0.30 -4.14 116.66 111.21 2jml n ARG 24 Ca 0.26 -0.11 -0.21 0.00 -0.92 0.00 0.00 57.85 56.88 2jml n ARG 24 Cb 1.09 -1.47 -0.15 0.00 0.45 0.00 0.00 32.46 32.38 2jml n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jml h ARG 25 N 0.00 0.37 0.00 -0.14 3.08 0.11 -3.46 114.38 114.34 2jml h ARG 25 Ca -0.22 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.20 2jml h ARG 25 Cb 1.46 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.74 2jml h ARG 25 CO 0.01 1.27 0.00 0.66 -1.07 0.00 0.00 179.97 180.84 2jml n TYR 26 N -3.56 0.00 0.00 3.04 4.01 0.54 -5.03 117.16 116.16 2jml n TYR 26 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 2jml n TYR 26 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 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 0.31 0.71 3.77 2.72 0.00 0.94 -5.00 105.19 108.63 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 -2.10 3.84 0.32 1.61 2.19 -1.26 -2.34 117.98 120.25 2jml s PHE 28 Ca 0.00 1.84 -0.29 0.00 0.33 0.00 0.00 56.93 58.81 2jml s PHE 28 Cb 0.00 -2.94 -0.11 0.00 -1.31 0.00 0.00 43.02 38.66 2jml s PHE 28 CO 0.00 0.34 1.41 -1.25 1.83 0.00 0.00 175.22 177.55 2jml s PRO 29 N -1.60 4.25 -0.05 10.12 0.04 -1.26 -4.32 135.00 142.17 2jml s PRO 29 Ca 0.45 2.36 -0.26 0.00 0.04 0.00 0.00 61.00 63.59 2jml s PRO 29 Cb -0.22 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2jml s PRO 29 CO 0.28 -0.37 0.83 -0.98 0.04 0.00 0.00 177.00 176.79 2jml s ARG 30 N -1.48 4.48 -0.23 4.56 1.70 -0.99 -4.94 118.95 122.05 2jml s ARG 30 Ca 0.53 1.12 -0.29 0.00 -0.47 0.00 0.00 55.73 56.62 2jml s ARG 30 Cb -0.43 -3.46 -0.03 0.00 -0.57 0.00 0.00 34.95 30.46 2jml s ARG 30 CO 0.53 -0.02 1.80 -1.25 -1.08 0.00 0.00 175.30 175.28 2jml s PRO 31 N 1.01 3.58 0.62 3.89 0.04 -1.26 -4.85 135.00 138.02 2jml s PRO 31 Ca 0.44 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 63.02 2jml s PRO 31 Cb -0.19 -4.15 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 2jml s PRO 31 CO 0.22 -1.57 1.25 -0.48 0.04 0.00 0.00 177.00 176.46 2jml s LEU 32 N 6.14 3.63 -0.11 -3.56 2.34 -1.01 -4.92 118.68 121.19 2jml s LEU 32 Ca 0.80 2.49 -0.29 0.00 0.06 0.00 0.00 54.13 57.19 2jml s LEU 32 Cb -0.27 -4.61 -0.06 0.00 -0.56 0.00 0.00 46.19 40.70 2jml s LEU 32 CO 0.33 -1.77 1.85 -0.60 -1.06 0.00 0.00 176.35 175.10 2jml s ARG 33 N -3.35 3.84 0.01 1.48 3.52 -1.26 -4.65 118.95 118.54 2jml s ARG 33 Ca 0.80 2.12 -0.09 0.00 -0.13 0.00 0.00 55.73 58.43 2jml s ARG 33 Cb -0.33 -4.13 0.03 0.00 -1.56 0.00 0.00 34.95 28.95 2jml s ARG 33 CO 0.36 -1.27 0.42 0.43 -0.81 0.00 0.00 175.30 174.43 2jml n SER 34 N 8.57 -0.48 -4.49 -2.12 7.64 -1.26 -5.14 113.62 116.34 2jml n SER 34 Ca 0.21 -1.16 -0.29 0.00 1.01 0.00 0.00 58.87 58.65 2jml n SER 34 Cb 0.43 0.75 0.22 0.00 -1.01 0.00 0.00 64.21 64.61 2jml n SER 34 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jml s GLU 35 N -2.01 -0.44 0.00 1.43 2.12 -1.26 -4.98 118.70 113.57 2jml s GLU 35 Ca 0.10 0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.97 2jml s GLU 35 Cb -0.00 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.75 2jml s GLU 35 CO 0.00 -3.32 0.00 0.41 -0.54 0.00 0.00 175.26 171.81 2jml n GLY 36 N -0.28 1.25 0.00 -1.50 0.00 -1.26 -4.72 105.19 98.68 2jml n GLY 36 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2jml n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jml n ASN 37 N 0.00 0.00 0.05 1.61 5.15 -1.26 -4.57 115.26 116.24 2jml n ASN 37 Ca 0.00 0.33 -0.07 0.00 -0.60 0.00 0.00 54.58 54.24 2jml n ASN 37 Cb 0.00 -0.35 0.09 0.00 -0.53 0.00 0.00 39.78 38.99 2jml n ASN 37 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2jml h ASN 38 N 0.00 0.44 -3.05 1.20 2.35 -2.05 -3.45 115.58 111.03 2jml h ASN 38 Ca 0.00 -0.24 -0.47 0.00 -0.55 0.00 0.00 56.30 55.03 2jml h ASN 38 Cb 0.00 -0.13 0.03 0.00 0.05 0.00 0.00 38.32 38.27 2jml h ASN 38 CO 0.00 0.92 -0.05 -0.31 -1.65 0.00 0.00 177.43 176.34 2jml s TYR 39 N -3.87 3.40 0.48 1.19 2.02 -1.26 -5.08 117.35 114.22 2jml s TYR 39 Ca -0.06 0.45 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 2jml s TYR 39 Cb 0.12 -2.22 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 2jml s TYR 39 CO 0.82 -0.23 0.01 1.03 -1.57 0.00 0.00 175.55 175.61 2jml s ARG 40 N -4.57 2.13 0.01 -0.62 0.52 -1.26 -4.59 118.95 110.58 2jml s ARG 40 Ca 0.46 -2.31 0.03 0.00 -0.52 0.00 0.00 55.73 53.39 2jml s ARG 40 Cb -0.10 -1.57 -0.01 0.00 0.52 0.00 0.00 34.95 33.78 2jml s ARG 40 CO 0.40 -0.27 -0.10 0.14 0.02 0.00 0.00 175.30 175.49 2jml s VAL 41 N -2.83 0.74 0.05 3.52 -7.23 -1.26 -4.10 120.40 109.30 2jml s VAL 41 Ca 0.15 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 2jml s VAL 41 Cb 0.04 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 2jml s VAL 41 CO 0.08 0.04 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.57 2jml s TYR 42 N -0.55 0.54 0.37 2.82 2.02 0.84 -2.40 117.35 120.98 2jml s TYR 42 Ca 0.01 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.71 2jml s TYR 42 Cb -0.05 -0.39 -0.06 0.00 -0.40 0.00 0.00 41.96 41.05 2jml s TYR 42 CO 0.00 -0.38 0.05 0.45 -1.57 0.00 0.00 175.55 174.10 2jml s SER 43 N -2.93 4.18 0.31 2.29 0.15 -1.26 -2.85 113.70 113.60 2jml s SER 43 Ca 0.08 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.66 2jml s SER 43 Cb 0.08 -0.49 0.51 0.00 -1.71 0.00 0.00 66.02 64.40 2jml s SER 43 CO -0.10 -0.35 1.88 -0.09 1.20 0.00 0.00 173.24 175.78 2jml h ARG 44 N 1.71 0.74 0.15 5.44 9.65 -1.98 -1.22 114.38 128.87 2jml h ARG 44 Ca -0.43 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.32 2jml h ARG 44 Cb 1.25 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2jml h ARG 44 CO 0.70 0.65 -0.08 1.05 2.80 0.00 0.00 179.97 185.09 2jml h GLU 45 N 0.72 -0.21 0.03 0.20 4.11 -1.99 0.21 114.58 117.65 2jml h GLU 45 Ca 0.17 0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.63 2jml h GLU 45 Cb 0.23 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2jml h GLU 45 CO -0.01 -0.14 -0.10 0.93 0.07 0.00 0.00 179.01 179.76 2jml h GLU 46 N -0.22 -0.18 -0.74 1.06 4.39 -1.93 -1.92 114.58 115.04 2jml h GLU 46 Ca -0.02 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.75 2jml h GLU 46 Cb 0.18 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.81 2jml h GLU 46 CO 0.02 -0.12 0.44 0.28 -1.16 0.00 0.00 179.01 178.47 2jml h VAL 47 N -0.19 1.01 0.23 3.13 2.07 -1.12 0.26 116.25 121.63 2jml h VAL 47 Ca 0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2jml h VAL 47 Cb 0.22 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2jml h VAL 47 CO -0.08 0.15 -0.13 -0.08 0.02 0.00 0.00 177.57 177.45 2jml h GLU 48 N 0.81 -0.33 0.08 1.57 4.57 -0.24 0.24 114.58 121.28 2jml h GLU 48 Ca 0.32 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.55 2jml h GLU 48 Cb 0.16 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 2jml h GLU 48 CO -0.17 -0.22 -0.29 0.00 -1.18 0.00 0.00 179.01 177.16 2jml h ALA 49 N 0.43 -0.46 -0.65 2.92 0.00 -1.18 -1.76 119.26 118.55 2jml h ALA 49 Ca -0.02 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jml h ALA 49 Cb 0.28 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2jml h ALA 49 CO 0.03 -0.82 0.33 0.28 0.00 0.00 0.00 179.25 179.07 2jml h VAL 50 N -0.48 0.89 -0.43 0.00 2.07 -0.71 0.18 116.25 117.77 2jml h VAL 50 Ca 0.04 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2jml h VAL 50 Cb 0.53 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2jml h VAL 50 CO -0.20 0.11 0.27 -0.09 0.02 0.00 0.00 177.57 177.68 2jml h ARG 51 N 0.58 0.54 0.58 1.57 2.43 -0.42 0.19 114.38 119.85 2jml h ARG 51 Ca 0.31 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2jml h ARG 51 Cb 0.28 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2jml h ARG 51 CO -0.23 0.36 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.22 2jml h ARG 52 N 0.56 -0.75 -0.47 0.20 2.43 -0.54 -2.00 114.38 113.81 2jml h ARG 52 Ca 0.17 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 2jml h ARG 52 Cb -0.03 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 2jml h ARG 52 CO -0.05 -0.49 0.01 0.28 -1.51 0.00 0.00 179.97 178.20 2jml h VAL 53 N -0.78 0.65 -0.23 0.20 2.07 -0.52 0.68 116.25 118.32 2jml h VAL 53 Ca -0.08 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2jml h VAL 53 Cb 0.60 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2jml h VAL 53 CO 0.13 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.75 2jml h ALA 54 N 1.41 0.21 -0.62 1.67 0.00 -0.61 0.13 119.26 121.44 2jml h ALA 54 Ca 0.23 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2jml h ALA 54 Cb 0.34 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2jml h ALA 54 CO -0.38 -0.42 0.09 -0.09 0.00 0.00 0.00 179.25 178.45 2jml h ARG 55 N 0.08 1.01 -0.97 0.00 2.43 -0.82 -2.31 114.38 113.80 2jml h ARG 55 Ca 0.11 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2jml h ARG 55 Cb 0.14 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 2jml h ARG 55 CO -0.18 0.94 0.64 -0.07 -1.51 0.00 0.00 179.97 179.78 2jml h LEU 56 N 0.95 1.06 -1.34 3.80 -0.00 -0.47 -2.49 115.31 116.82 2jml h LEU 56 Ca 0.19 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 58.02 2jml h LEU 56 Cb 0.42 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.82 2jml h LEU 56 CO 0.01 0.73 -0.02 0.40 -0.00 0.00 0.00 178.44 179.57 2jml h ILE 57 N 1.24 1.18 0.00 1.22 2.04 -0.37 -0.54 117.51 122.28 2jml h ILE 57 Ca 0.38 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2jml h ILE 57 Cb -0.01 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2jml h ILE 57 CO -0.12 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.27 2jml n GLN 58 N -4.30 0.13 0.04 2.37 1.13 -0.90 -1.69 117.38 114.15 2jml n GLN 58 Ca 0.01 0.61 -0.22 0.00 -1.94 0.00 0.00 57.00 55.46 2jml n GLN 58 Cb 0.23 -1.91 -0.14 0.00 0.11 0.00 0.00 30.24 28.52 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 0.33 0.00 -1.09 5.08 -1.12 -3.47 114.58 114.31 2jml h GLU 59 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2jml h GLU 59 Cb 0.02 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jml h GLU 59 CO 0.00 1.27 0.00 0.39 -1.00 0.00 0.00 179.01 179.67 2jml n GLU 60 N -3.67 0.00 0.00 2.33 1.02 -1.05 -5.06 120.64 114.21 2jml n GLU 60 Ca -0.26 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 2jml n GLU 60 Cb 1.02 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 32.14 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 0.31 3.16 0.32 0.62 0.00 -0.68 -4.92 105.19 104.01 2jml n GLY 61 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.39 -0.35 0.99 5.85 -1.91 -0.07 115.31 120.22 2jml h LEU 62 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2jml h LEU 62 Cb 0.00 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2jml h LEU 62 CO 0.00 -0.04 0.15 -1.20 -0.34 0.00 0.00 178.44 177.01 2jml n SER 63 N -5.04 0.14 0.05 1.25 7.64 -1.26 -0.88 113.62 115.51 2jml n SER 63 Ca 0.25 0.46 -0.07 0.00 1.01 0.00 0.00 58.87 60.52 2jml n SER 63 Cb 0.76 -0.45 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 2jml n SER 63 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2jml h VAL 64 N 0.00 0.00 -0.26 0.44 2.07 -1.30 0.17 116.25 117.36 2jml h VAL 64 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2jml h VAL 64 Cb 0.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2jml h VAL 64 CO 0.00 0.00 -0.08 -1.28 0.02 0.00 0.00 177.57 176.23 2jml h SER 65 N -0.31 0.53 -0.01 0.57 0.87 -1.22 -3.18 113.55 110.78 2jml h SER 65 Ca -0.00 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 2jml h SER 65 Cb 0.31 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2jml h SER 65 CO -0.11 0.78 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.77 2jml h GLU 66 N 0.26 0.11 0.00 2.24 4.57 -1.17 0.92 114.58 121.52 2jml h GLU 66 Ca 0.06 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.08 2jml h GLU 66 Cb 0.56 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2jml h GLU 66 CO 0.03 0.80 -0.34 0.00 -1.18 0.00 0.00 179.01 178.32 2jml h ALA 67 N 0.32 0.95 0.38 2.92 0.00 -1.13 0.17 119.26 122.87 2jml h ALA 67 Ca -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2jml h ALA 67 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2jml h ALA 67 CO 0.03 0.42 -0.18 0.82 0.00 0.00 0.00 179.25 180.33 2jml h ILE 68 N 0.00 0.58 -0.80 0.00 2.04 -1.54 0.22 117.51 118.01 2jml h ILE 68 Ca -0.00 -0.48 0.08 0.00 1.00 0.00 0.00 64.86 65.46 2jml h ILE 68 Cb 0.93 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 2jml h ILE 68 CO 0.04 0.08 0.46 0.00 0.00 0.00 0.00 178.15 178.74 2jml h ALA 69 N -0.34 1.12 0.31 1.87 0.00 -0.58 0.78 119.26 122.42 2jml h ALA 69 Ca -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2jml h ALA 69 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jml h ALA 69 CO 0.09 0.12 -0.27 1.96 0.00 0.00 0.00 179.25 181.15 2jml h GLN 70 N 0.80 -0.54 0.00 0.00 4.20 -0.71 0.45 115.11 119.30 2jml h GLN 70 Ca 0.37 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 2jml h GLN 70 Cb 0.30 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2jml h GLN 70 CO -0.22 -0.36 -0.03 -0.24 -0.67 0.00 0.00 178.83 177.30 2jml h VAL 71 N -0.56 0.27 0.09 -0.54 3.04 -0.55 0.25 116.25 118.25 2jml h VAL 71 Ca -0.04 -0.20 -0.26 0.00 -1.01 0.00 0.00 66.70 65.19 2jml h VAL 71 Cb 0.48 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 2jml h VAL 71 CO -0.01 0.03 -1.22 0.11 -1.01 0.00 0.00 177.57 175.47 2jml h LYS 72 N 0.00 0.19 0.00 4.17 1.57 -0.81 -3.36 116.57 118.33 2jml h LYS 72 Ca -0.00 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.31 2jml h LYS 72 Cb 0.15 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2jml h LYS 72 CO 0.00 1.13 -0.92 0.00 -0.57 0.00 0.00 179.45 179.09 2jml h THR 73 N 0.05 0.90 -3.10 -0.16 1.03 0.52 -3.44 112.91 108.72 2jml h THR 73 Ca -0.12 -2.39 -0.57 0.00 -0.01 0.00 0.00 66.41 63.33 2jml h THR 73 Cb 1.92 2.38 -0.05 0.00 -1.07 0.00 0.00 68.15 71.34 2jml h THR 73 CO 0.18 0.52 1.01 -1.61 -0.01 0.00 0.00 175.52 175.60 2jml s GLU 74 N -2.89 3.84 0.20 0.00 2.02 0.76 -5.03 118.70 117.61 2jml s GLU 74 Ca 0.01 1.26 -0.30 0.00 0.02 0.00 0.00 54.97 55.96 2jml s GLU 74 Cb 0.08 -3.93 -0.09 0.00 0.10 0.00 0.00 34.13 30.30 2jml s GLU 74 CO 0.78 -1.22 1.25 -1.25 0.02 0.00 0.00 175.26 174.85 2jml s PRO 75 N 4.37 4.44 0.14 0.39 0.04 -1.26 -4.85 135.00 138.26 2jml s PRO 75 Ca 0.59 1.98 -0.31 0.00 0.04 0.00 0.00 61.00 63.31 2jml s PRO 75 Cb -0.17 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.08 2jml s PRO 75 CO 0.26 -0.16 1.31 -1.25 0.04 0.00 0.00 177.00 177.19 2jml s PRO 76 N -0.32 4.38 -0.28 0.56 0.04 -1.26 -5.01 135.00 133.10 2jml s PRO 76 Ca 0.54 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.57 2jml s PRO 76 Cb -0.35 -3.25 0.17 0.00 0.04 0.00 0.00 34.50 31.11 2jml s PRO 76 CO 0.39 -0.31 0.51 0.50 0.04 0.00 0.00 177.00 178.13 2jml s ARG 77 N 0.59 0.49 0.00 4.56 3.52 -1.26 -5.31 118.95 121.54 2jml s ARG 77 Ca 0.60 0.76 0.15 0.00 -0.13 0.00 0.00 55.73 57.11 2jml s ARG 77 Cb -0.35 0.14 0.87 0.00 -1.56 0.00 0.00 34.95 34.05 2jml s ARG 77 CO 0.33 -0.69 1.28 0.39 -0.81 0.00 0.00 175.30 175.81