#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jml n SER -1 N 0.00 0.00 -3.96 1.61 2.88 -1.26 -5.11 113.62 107.78 2jml n SER -1 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2jml n SER -1 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2jml n SER -1 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2jml s HIS 0 N 0.00 1.43 1.04 0.66 4.02 -1.26 -5.19 115.29 116.00 2jml s HIS 0 Ca 0.00 -1.43 -0.17 0.00 1.02 0.00 0.00 55.06 54.48 2jml s HIS 0 Cb 0.00 -0.69 0.22 0.00 -1.02 0.00 0.00 32.58 31.09 2jml s HIS 0 CO 0.00 -0.64 1.22 -1.64 1.02 0.00 0.00 174.74 174.69 2jml s MET 1 N -3.90 0.04 -0.01 1.40 1.00 -1.26 -5.13 119.30 111.44 2jml s MET 1 Ca 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 55.69 55.91 2jml s MET 1 Cb 0.05 -1.75 -0.01 0.00 0.00 0.00 0.00 34.83 33.12 2jml s MET 1 CO 0.17 -2.85 -0.08 0.95 0.00 0.00 0.00 175.02 173.21 2jml s THR 2 N -3.48 0.59 0.31 2.05 -4.23 -1.26 -4.68 115.64 104.94 2jml s THR 2 Ca 0.71 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 2jml s THR 2 Cb -0.07 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 2jml s THR 2 CO 0.54 0.17 0.18 -0.76 -0.54 0.00 0.00 174.62 174.21 2jml s LEU 3 N -0.18 1.66 0.33 4.79 2.01 -1.03 -4.99 118.68 121.27 2jml s LEU 3 Ca 0.03 -1.59 0.10 0.00 0.01 0.00 0.00 54.13 52.67 2jml s LEU 3 Cb -0.03 0.28 -0.06 0.00 0.01 0.00 0.00 46.19 46.39 2jml s LEU 3 CO -0.00 -0.93 -0.11 0.00 1.01 0.00 0.00 176.35 176.32 2jml s ARG 4 N -3.76 1.78 0.25 1.70 3.03 -1.26 -0.32 118.95 120.37 2jml s ARG 4 Ca 0.36 -1.90 -0.03 0.00 2.03 0.00 0.00 55.73 56.20 2jml s ARG 4 Cb 0.04 -1.67 0.48 0.00 -1.03 0.00 0.00 34.95 32.77 2jml s ARG 4 CO 0.19 0.16 1.76 0.97 -1.13 0.00 0.00 175.30 177.25 2jml h ILE 5 N 2.08 0.73 -0.80 4.99 -0.00 -1.95 -0.08 117.51 122.49 2jml h ILE 5 Ca -0.42 -0.20 0.10 0.00 -0.00 0.00 0.00 64.86 64.35 2jml h ILE 5 Cb 1.25 0.11 -0.06 0.00 -0.00 0.00 0.00 36.82 38.12 2jml h ILE 5 CO 0.69 0.10 0.52 -0.09 -0.00 0.00 0.00 178.15 179.37 2jml h ARG 6 N 0.57 0.68 -0.04 2.19 2.43 -1.97 0.18 114.38 118.42 2jml h ARG 6 Ca 0.43 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.49 2jml h ARG 6 Cb 0.60 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2jml h ARG 6 CO -0.36 0.45 -0.25 1.15 -1.51 0.00 0.00 179.97 179.45 2jml h THR 7 N 0.70 1.47 -0.40 0.20 2.02 -1.45 -1.91 112.91 113.53 2jml h THR 7 Ca 0.37 -1.75 0.02 0.00 0.77 0.00 0.00 66.41 65.83 2jml h THR 7 Cb 0.50 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 2jml h THR 7 CO -0.14 0.49 0.23 0.40 0.37 0.00 0.00 175.52 176.87 2jml h ILE 8 N -0.32 1.03 -0.43 3.11 2.04 -0.61 -2.78 117.51 119.55 2jml h ILE 8 Ca -0.02 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2jml h ILE 8 Cb 0.93 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2jml h ILE 8 CO 0.05 0.09 0.21 0.00 0.00 0.00 0.00 178.15 178.49 2jml h ALA 9 N 1.19 0.56 0.00 1.87 0.00 -0.77 -2.82 119.26 119.28 2jml h ALA 9 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jml h ALA 9 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jml h ALA 9 CO -0.08 0.12 0.30 0.00 0.00 0.00 0.00 179.25 179.59 2jml h ARG 10 N 0.56 0.00 -0.09 0.00 3.08 -1.05 0.26 114.38 117.14 2jml h ARG 10 Ca 0.15 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.22 2jml h ARG 10 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2jml h ARG 10 CO -0.02 0.00 0.08 0.52 -1.07 0.00 0.00 179.97 179.48 2jml h MET 11 N 0.00 0.00 0.00 0.04 2.86 -1.44 -3.41 114.93 112.98 2jml h MET 11 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jml h MET 11 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2jml h MET 11 CO 0.00 0.00 0.00 2.41 1.06 0.00 0.00 176.91 180.38 2jml n THR 12 N -4.18 0.00 0.00 2.22 -1.04 -0.45 -5.04 114.28 105.79 2jml n THR 12 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2jml n THR 12 Cb 0.18 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.01 0.77 0.35 3.41 0.00 0.80 -4.72 105.19 105.80 2jml n GLY 13 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.69 0.00 -0.61 -0.00 -1.97 0.11 117.51 115.73 2jml h ILE 14 Ca 0.00 -0.26 -0.01 0.00 -0.00 0.00 0.00 64.86 64.59 2jml h ILE 14 Cb 0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 36.82 36.69 2jml h ILE 14 CO 0.00 0.14 -0.07 0.03 -0.00 0.00 0.00 178.15 178.25 2jml h ARG 15 N 0.75 0.00 -0.38 2.19 3.08 -1.87 -3.31 114.38 114.83 2jml h ARG 15 Ca 0.59 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.66 2jml h ARG 15 Cb 0.93 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2jml h ARG 15 CO -0.39 0.07 0.20 1.49 -1.07 0.00 0.00 179.97 180.26 2jml h GLU 16 N 0.00 0.39 -0.77 0.04 4.81 -1.06 0.34 114.58 118.32 2jml h GLU 16 Ca -0.00 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.38 2jml h GLU 16 Cb 0.56 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2jml h GLU 16 CO 0.01 0.26 0.52 0.00 -0.73 0.00 0.00 179.01 179.07 2jml h ALA 17 N 1.20 2.25 0.11 2.92 0.00 -1.71 0.69 119.26 124.71 2jml h ALA 17 Ca 0.16 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.84 2jml h ALA 17 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jml h ALA 17 CO -0.11 -0.47 -1.13 1.15 0.00 0.00 0.00 179.25 178.69 2jml h THR 18 N 0.32 1.22 0.03 0.00 2.02 -1.31 -2.74 112.91 112.45 2jml h THR 18 Ca 0.38 -2.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.14 2jml h THR 18 Cb 1.02 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.30 2jml h THR 18 CO -0.11 0.67 -0.01 -0.07 0.37 0.00 0.00 175.52 176.37 2jml h LEU 19 N -0.42 -0.03 -1.04 2.58 3.38 0.05 0.26 115.31 120.09 2jml h LEU 19 Ca -0.24 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2jml h LEU 19 Cb 1.64 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2jml h LEU 19 CO 0.06 -0.02 -0.26 0.03 0.09 0.00 0.00 178.44 178.34 2jml h ARG 20 N -0.04 0.37 -0.28 1.13 2.47 -1.05 -2.23 114.38 114.75 2jml h ARG 20 Ca -0.00 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.55 2jml h ARG 20 Cb 0.03 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2jml h ARG 20 CO 0.01 0.61 0.05 0.00 0.56 0.00 0.00 179.97 181.19 2jml h ALA 21 N 1.40 0.37 -0.88 0.04 0.00 -1.23 -3.19 119.26 115.76 2jml h ALA 21 Ca 0.05 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.87 2jml h ALA 21 Cb 0.64 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2jml h ALA 21 CO 0.05 0.05 0.57 -1.49 0.00 0.00 0.00 179.25 178.43 2jml h TRP 22 N 0.27 0.93 -0.40 0.00 6.55 -0.16 0.21 115.95 123.35 2jml h TRP 22 Ca 0.08 0.03 0.12 0.00 0.95 0.00 0.00 58.89 60.07 2jml h TRP 22 Cb 0.33 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.32 2jml h TRP 22 CO 0.02 0.42 0.39 1.49 -1.05 0.00 0.00 178.44 179.71 2jml h GLU 23 N 0.85 0.00 0.00 0.49 4.81 -1.40 0.32 114.58 119.66 2jml h GLU 23 Ca 0.41 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.33 2jml h GLU 23 Cb 0.45 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 2jml h GLU 23 CO -0.18 0.00 -2.19 0.54 -0.73 0.00 0.00 179.01 176.45 2jml n ARG 24 N -3.89 1.14 0.05 1.92 1.74 -0.26 -4.37 116.66 113.00 2jml n ARG 24 Ca 0.07 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.95 2jml n ARG 24 Cb 0.57 -1.44 -0.11 0.00 -1.02 0.00 0.00 32.46 30.46 2jml n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jml h ARG 25 N 0.00 0.69 0.00 5.56 3.08 -0.13 -3.45 114.38 120.12 2jml h ARG 25 Ca -0.47 -0.77 0.00 0.00 0.07 0.00 0.00 59.98 58.81 2jml h ARG 25 Cb 2.04 0.23 0.00 0.00 0.08 0.00 0.00 29.97 32.32 2jml h ARG 25 CO 0.02 1.34 0.00 0.66 -1.07 0.00 0.00 179.97 180.92 2jml n TYR 26 N -3.84 -0.16 0.00 3.04 4.01 0.38 -5.04 117.16 115.55 2jml n TYR 26 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2jml n TYR 26 Cb 0.90 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 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 0.55 0.64 3.80 2.72 0.00 0.85 -5.00 105.19 108.75 2jml n GLY 27 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.81 0.37 1.61 2.19 -1.26 -2.24 117.98 120.46 2jml s PHE 28 Ca 0.00 1.40 -0.28 0.00 0.33 0.00 0.00 56.93 58.39 2jml s PHE 28 Cb 0.00 -2.60 -0.10 0.00 -1.31 0.00 0.00 43.02 39.01 2jml s PHE 28 CO 0.00 0.52 1.40 -1.25 1.83 0.00 0.00 175.22 177.73 2jml s PRO 29 N -1.28 4.15 -0.11 10.12 0.04 -1.26 -4.47 135.00 142.19 2jml s PRO 29 Ca 0.34 2.40 -0.25 0.00 0.04 0.00 0.00 61.00 63.53 2jml s PRO 29 Cb -0.20 -2.96 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 2jml s PRO 29 CO 0.22 -0.43 0.79 -0.98 0.04 0.00 0.00 177.00 176.63 2jml s ARG 30 N -2.03 4.37 0.29 4.56 1.70 -0.95 -4.95 118.95 121.93 2jml s ARG 30 Ca 0.52 0.99 -0.29 0.00 -0.47 0.00 0.00 55.73 56.48 2jml s ARG 30 Cb -0.43 -3.52 -0.10 0.00 -0.57 0.00 0.00 34.95 30.33 2jml s ARG 30 CO 0.58 -0.15 1.40 -1.25 -1.08 0.00 0.00 175.30 174.80 2jml s PRO 31 N 1.51 4.28 0.69 3.89 0.04 -1.26 -4.84 135.00 139.32 2jml s PRO 31 Ca 0.39 2.30 -0.16 0.00 0.04 0.00 0.00 61.00 63.58 2jml s PRO 31 Cb -0.17 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.30 2jml s PRO 31 CO 0.16 -0.35 1.19 -0.51 0.04 0.00 0.00 177.00 177.52 2jml s LEU 32 N -1.03 3.39 -1.10 -3.56 1.43 -0.27 -4.87 118.68 112.66 2jml s LEU 32 Ca 0.55 2.28 -0.17 0.00 -1.03 0.00 0.00 54.13 55.76 2jml s LEU 32 Cb -0.42 -4.58 -0.07 0.00 0.03 0.00 0.00 46.19 41.15 2jml s LEU 32 CO 0.49 -2.02 2.10 -1.14 0.23 0.00 0.00 176.35 176.00 2jml n ARG 33 N -2.48 2.18 -1.89 1.70 0.63 -1.26 -4.79 116.66 110.75 2jml n ARG 33 Ca 0.13 -2.16 0.00 0.00 -0.92 0.00 0.00 57.85 54.90 2jml n ARG 33 Cb 0.50 -3.05 0.00 0.00 0.45 0.00 0.00 32.46 30.37 2jml n ARG 33 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jml n SER 34 N 6.59 0.44 -4.64 6.15 7.64 -1.26 -5.17 113.62 123.37 2jml n SER 34 Ca 0.51 -0.95 -0.29 0.00 1.01 0.00 0.00 58.87 59.15 2jml n SER 34 Cb 0.38 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.76 2jml n SER 34 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2jml s GLU 35 N -1.84 0.49 0.00 1.43 -1.05 -1.26 -5.01 118.70 111.46 2jml s GLU 35 Ca 0.00 0.89 0.00 0.00 -0.15 0.00 0.00 54.97 55.71 2jml s GLU 35 Cb 0.00 -1.71 0.00 0.00 -0.44 0.00 0.00 34.13 31.98 2jml s GLU 35 CO 0.00 -2.79 0.00 0.41 0.95 0.00 0.00 175.26 173.83 2jml n GLY 36 N -0.39 1.48 0.00 -3.83 0.00 -1.26 -4.64 105.19 96.55 2jml n GLY 36 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.11 1.61 3.02 -1.26 -4.61 115.26 114.12 2jml n ASN 37 Ca 0.00 0.13 -0.03 0.00 -0.03 0.00 0.00 54.58 54.65 2jml n ASN 37 Cb 0.00 -0.13 0.14 0.00 -0.61 0.00 0.00 39.78 39.18 2jml n ASN 37 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2jml h ASN 38 N 0.00 0.15 -2.36 6.41 2.35 -2.06 -3.44 115.58 116.63 2jml h ASN 38 Ca 0.00 -0.09 -0.52 0.00 -0.55 0.00 0.00 56.30 55.14 2jml h ASN 38 Cb 0.00 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 2jml h ASN 38 CO 0.00 0.73 -0.53 -0.31 -1.65 0.00 0.00 177.43 175.67 2jml s TYR 39 N -3.69 3.17 0.42 1.19 2.02 -1.26 -5.07 117.35 114.13 2jml s TYR 39 Ca -0.03 -0.07 0.07 0.00 -0.37 0.00 0.00 57.07 56.68 2jml s TYR 39 Cb 0.12 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2jml s TYR 39 CO 0.78 0.51 0.23 1.03 -1.57 0.00 0.00 175.55 176.54 2jml s ARG 40 N -3.60 2.30 -0.04 -0.62 1.81 -1.26 -4.45 118.95 113.09 2jml s ARG 40 Ca 0.32 -1.79 0.04 0.00 -1.72 0.00 0.00 55.73 52.58 2jml s ARG 40 Cb -0.09 -2.07 -0.00 0.00 -0.45 0.00 0.00 34.95 32.34 2jml s ARG 40 CO 0.25 -0.17 -0.15 0.14 -0.68 0.00 0.00 175.30 174.69 2jml s VAL 41 N -2.58 1.27 0.19 3.52 -7.23 -1.26 -3.85 120.40 110.45 2jml s VAL 41 Ca 0.42 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.93 2jml s VAL 41 Cb 0.02 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 2jml s VAL 41 CO 0.23 0.37 0.15 -0.31 -0.31 0.00 0.00 175.10 175.23 2jml s TYR 42 N 0.01 1.00 0.32 2.82 2.02 0.57 -1.11 117.35 122.98 2jml s TYR 42 Ca -0.02 -1.27 0.10 0.00 -0.37 0.00 0.00 57.07 55.50 2jml s TYR 42 Cb -0.10 -0.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.95 2jml s TYR 42 CO 0.01 -0.65 -0.04 0.45 -1.57 0.00 0.00 175.55 173.75 2jml s SER 43 N -3.12 4.06 0.30 2.29 0.15 -1.26 -2.46 113.70 113.67 2jml s SER 43 Ca 0.34 -0.99 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 2jml s SER 43 Cb 0.06 -0.51 0.47 0.00 -1.71 0.00 0.00 66.02 64.34 2jml s SER 43 CO 0.09 -0.16 1.95 -0.09 1.20 0.00 0.00 173.24 176.23 2jml h ARG 44 N 1.93 0.98 -0.47 5.44 9.65 -1.99 -1.61 114.38 128.31 2jml h ARG 44 Ca -0.42 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.39 2jml h ARG 44 Cb 1.25 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 29.59 2jml h ARG 44 CO 0.65 0.69 0.27 1.05 2.80 0.00 0.00 179.97 185.44 2jml h GLU 45 N 1.00 0.52 -0.07 0.20 4.11 -1.99 0.28 114.58 118.63 2jml h GLU 45 Ca 0.26 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 2jml h GLU 45 Cb -0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2jml h GLU 45 CO -0.05 0.34 0.02 0.93 0.07 0.00 0.00 179.01 180.33 2jml h GLU 46 N 0.54 0.11 -0.88 1.06 4.39 -1.91 -2.84 114.58 115.04 2jml h GLU 46 Ca 0.19 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.93 2jml h GLU 46 Cb 0.04 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.61 2jml h GLU 46 CO -0.10 0.27 0.58 0.28 -1.16 0.00 0.00 179.01 178.88 2jml h VAL 47 N -0.07 1.06 0.45 3.13 2.07 -0.99 0.59 116.25 122.49 2jml h VAL 47 Ca 0.02 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2jml h VAL 47 Cb 0.21 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2jml h VAL 47 CO -0.00 0.18 -0.41 -0.08 0.02 0.00 0.00 177.57 177.28 2jml h GLU 48 N 1.00 -0.83 -0.18 1.57 4.57 -0.35 0.26 114.58 120.61 2jml h GLU 48 Ca 0.38 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.65 2jml h GLU 48 Cb 0.20 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2jml h GLU 48 CO -0.14 -0.56 -0.04 0.00 -1.18 0.00 0.00 179.01 177.10 2jml h ALA 49 N -0.53 0.12 -0.48 2.92 0.00 -1.26 -2.44 119.26 117.60 2jml h ALA 49 Ca -0.04 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2jml h ALA 49 Cb 0.75 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2jml h ALA 49 CO -0.04 -0.47 0.24 0.28 0.00 0.00 0.00 179.25 179.25 2jml h VAL 50 N 0.01 0.96 -0.39 0.00 2.07 -0.69 0.10 116.25 118.31 2jml h VAL 50 Ca 0.09 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2jml h VAL 50 Cb 0.13 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 2jml h VAL 50 CO -0.18 0.09 0.04 0.03 0.02 0.00 0.00 177.57 177.57 2jml h ARG 51 N 0.47 0.15 0.74 1.57 3.08 -0.34 0.24 114.38 120.29 2jml h ARG 51 Ca 0.21 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2jml h ARG 51 Cb 0.12 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2jml h ARG 51 CO -0.15 0.10 -0.44 0.00 -1.07 0.00 0.00 179.97 178.41 2jml h ARG 52 N 0.16 -1.06 -0.45 0.04 3.08 -0.92 -1.44 114.38 113.78 2jml h ARG 52 Ca 0.19 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.40 2jml h ARG 52 Cb 0.25 0.24 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 2jml h ARG 52 CO -0.28 -0.71 -0.06 0.28 -1.07 0.00 0.00 179.97 178.13 2jml h VAL 53 N -1.10 0.59 -0.37 2.04 2.07 -0.59 0.16 116.25 119.05 2jml h VAL 53 Ca -0.10 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.47 2jml h VAL 53 Cb 0.88 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2jml h VAL 53 CO 0.10 0.01 0.06 0.00 0.02 0.00 0.00 177.57 177.76 2jml h ALA 54 N 1.43 0.39 -0.11 1.67 0.00 -0.51 0.41 119.26 122.54 2jml h ALA 54 Ca 0.22 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 2jml h ALA 54 Cb 0.34 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jml h ALA 54 CO -0.42 -0.34 -0.54 -0.09 0.00 0.00 0.00 179.25 177.85 2jml h ARG 55 N 0.18 0.32 -0.87 0.00 2.43 -0.64 -2.97 114.38 112.83 2jml h ARG 55 Ca 0.18 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jml h ARG 55 Cb 0.22 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 2jml h ARG 55 CO -0.25 0.78 0.57 -0.07 -1.51 0.00 0.00 179.97 179.49 2jml h LEU 56 N 0.25 1.00 -1.90 3.80 -0.00 -0.24 -2.18 115.31 116.04 2jml h LEU 56 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2jml h LEU 56 Cb 1.03 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2jml h LEU 56 CO 0.09 0.73 -0.11 0.40 -0.00 0.00 0.00 178.44 179.55 2jml h ILE 57 N 1.18 0.86 0.00 1.22 2.04 -0.77 -0.08 117.51 121.96 2jml h ILE 57 Ca 0.32 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2jml h ILE 57 Cb -0.13 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2jml h ILE 57 CO -0.07 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.19 2jml n GLN 58 N -4.09 0.13 0.02 2.37 1.13 -0.82 -2.32 117.38 113.79 2jml n GLN 58 Ca -0.02 0.46 -0.22 0.00 -1.94 0.00 0.00 57.00 55.28 2jml n GLN 58 Cb 0.19 -1.80 -0.14 0.00 0.11 0.00 0.00 30.24 28.61 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 0.28 0.00 -1.09 5.08 -1.07 -3.47 114.58 114.31 2jml h GLU 59 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2jml h GLU 59 Cb 0.21 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2jml h GLU 59 CO 0.00 1.23 0.00 0.39 -1.00 0.00 0.00 179.01 179.63 2jml n GLU 60 N -3.65 0.00 0.00 2.33 1.02 -1.19 -5.07 120.64 114.08 2jml n GLU 60 Ca -0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 2jml n GLU 60 Cb 1.01 -0.22 0.00 0.00 -0.02 0.00 0.00 31.44 32.21 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 0.43 2.39 0.41 0.62 0.00 -0.98 -4.92 105.19 103.14 2jml n GLY 61 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 0.43 -0.53 0.99 5.85 -1.91 0.09 115.31 120.22 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 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jml h LEU 62 CO 0.00 0.04 0.19 -1.20 -0.34 0.00 0.00 178.44 177.12 2jml n SER 63 N -4.67 0.21 -0.02 1.25 7.64 -1.26 -0.52 113.62 116.25 2jml n SER 63 Ca 0.27 0.49 -0.14 0.00 1.01 0.00 0.00 58.87 60.50 2jml n SER 63 Cb 0.96 -0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.10 0.44 2.07 -1.28 -0.29 116.25 117.29 2jml h VAL 64 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 2jml h VAL 64 Cb 0.37 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2jml h VAL 64 CO 0.00 0.00 -0.69 -1.28 0.02 0.00 0.00 177.57 175.62 2jml h SER 65 N -0.52 0.43 0.52 0.57 0.87 -1.03 -3.32 113.55 111.07 2jml h SER 65 Ca 0.03 -0.92 -0.03 0.00 -1.23 0.00 0.00 61.79 59.65 2jml h SER 65 Cb 0.62 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2jml h SER 65 CO -0.43 1.32 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.86 2jml h GLU 66 N -0.38 -0.67 0.00 2.24 4.81 -1.04 0.42 114.58 119.96 2jml h GLU 66 Ca -0.12 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 2jml h GLU 66 Cb 1.51 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 2jml h GLU 66 CO 0.13 -0.39 -0.35 0.00 -0.73 0.00 0.00 179.01 177.67 2jml h ALA 67 N -0.40 0.86 0.40 2.92 0.00 -1.26 0.26 119.26 122.04 2jml h ALA 67 Ca -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2jml h ALA 67 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jml h ALA 67 CO 0.12 0.43 -0.19 0.82 0.00 0.00 0.00 179.25 180.43 2jml h ILE 68 N 0.00 0.56 -0.75 0.00 2.04 -1.60 0.27 117.51 118.03 2jml h ILE 68 Ca -0.00 -0.47 0.07 0.00 1.00 0.00 0.00 64.86 65.46 2jml h ILE 68 Cb 1.06 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 2jml h ILE 68 CO 0.05 0.08 0.43 0.00 0.00 0.00 0.00 178.15 178.71 2jml h ALA 69 N -0.37 1.02 0.16 1.87 0.00 -0.63 0.45 119.26 121.76 2jml h ALA 69 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jml h ALA 69 Cb 0.54 -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 -0.18 1.96 0.00 0.00 0.00 179.25 181.24 2jml h GLN 70 N 0.78 -0.33 0.00 0.00 4.20 -0.55 0.66 115.11 119.88 2jml h GLN 70 Ca 0.34 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 2jml h GLN 70 Cb 0.22 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2jml h GLN 70 CO -0.19 -0.22 -0.04 -0.24 -0.67 0.00 0.00 178.83 177.47 2jml h VAL 71 N -0.34 0.62 0.00 -0.54 3.04 -0.59 0.36 116.25 118.80 2jml h VAL 71 Ca -0.02 -0.15 -0.18 0.00 -1.01 0.00 0.00 66.70 65.34 2jml h VAL 71 Cb 0.30 1.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 2jml h VAL 71 CO -0.03 0.04 -0.94 0.11 -1.01 0.00 0.00 177.57 175.74 2jml h LYS 72 N 0.00 0.00 0.00 4.17 1.57 -0.88 -3.36 116.57 118.07 2jml h LYS 72 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2jml h LYS 72 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2jml h LYS 72 CO 0.00 0.70 -1.44 -2.37 -0.57 0.00 0.00 179.45 175.78 2jml n THR 73 N -3.23 0.73 -1.84 -0.16 5.66 0.22 -4.89 114.28 110.77 2jml n THR 73 Ca -0.02 -0.61 -0.38 0.00 -3.05 0.00 0.00 64.05 59.99 2jml n THR 73 Cb 0.87 -0.40 0.04 0.00 -1.55 0.00 0.00 70.33 69.28 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 -3.20 3.16 0.38 1.09 2.02 0.11 -5.03 118.70 117.24 2jml s GLU 74 Ca -0.04 2.16 -0.25 0.00 0.02 0.00 0.00 54.97 56.87 2jml s GLU 74 Cb 0.10 -2.24 -0.09 0.00 0.10 0.00 0.00 34.13 32.00 2jml s GLU 74 CO 0.82 -1.15 1.05 -1.25 0.02 0.00 0.00 175.26 174.76 2jml s PRO 75 N -2.93 4.24 0.79 0.39 0.04 -1.26 -4.93 135.00 131.33 2jml s PRO 75 Ca 0.72 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 2jml s PRO 75 Cb -0.39 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.58 2jml s PRO 75 CO 0.45 -0.08 1.08 -1.25 0.04 0.00 0.00 177.00 177.25 2jml s PRO 76 N -2.34 2.16 -0.33 0.56 0.04 -1.26 -5.07 135.00 128.75 2jml s PRO 76 Ca 0.56 0.92 0.04 0.00 0.04 0.00 0.00 61.00 62.57 2jml s PRO 76 Cb -0.23 -1.90 0.19 0.00 0.04 0.00 0.00 34.50 32.60 2jml s PRO 76 CO 0.29 -1.64 0.66 -0.98 0.04 0.00 0.00 177.00 175.37 2jml s ARG 77 N -5.00 0.59 0.00 4.56 1.70 -1.26 -5.30 118.95 114.24 2jml s ARG 77 Ca 0.61 0.23 0.08 0.00 -0.47 0.00 0.00 55.73 56.17 2jml s ARG 77 Cb -0.16 0.18 0.46 0.00 -0.57 0.00 0.00 34.95 34.85 2jml s ARG 77 CO 0.56 -0.99 0.91 -1.91 -1.08 0.00 0.00 175.30 172.79