#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 -4.92 1.61 7.64 -1.26 -5.19 113.62 111.51 2jml n SER -1 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2jml n SER -1 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2jml n SER -1 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2jml s HIS 0 N -0.93 3.53 0.25 1.43 0.00 -1.26 -5.12 115.29 113.18 2jml s HIS 0 Ca 0.00 0.28 -0.20 0.00 -3.00 0.00 0.00 55.06 52.14 2jml s HIS 0 Cb 0.00 -1.78 0.03 0.00 -4.00 0.00 0.00 32.58 26.83 2jml s HIS 0 CO 0.00 0.61 0.64 1.41 -1.00 0.00 0.00 174.74 176.40 2jml s MET 1 N -2.35 1.62 -0.08 -0.38 -2.45 -1.26 -5.16 119.30 109.24 2jml s MET 1 Ca 0.33 -0.92 -0.07 0.00 -1.25 0.00 0.00 55.69 53.78 2jml s MET 1 Cb -0.13 0.58 0.02 0.00 1.25 0.00 0.00 34.83 36.55 2jml s MET 1 CO 0.25 -0.73 0.21 0.95 1.05 0.00 0.00 175.02 176.76 2jml s THR 2 N -3.90 -0.01 0.16 10.11 -4.23 -1.26 -4.37 115.64 112.15 2jml s THR 2 Ca 0.11 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.67 2jml s THR 2 Cb -0.04 -0.30 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 2jml s THR 2 CO 0.03 0.01 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.35 2jml s LEU 3 N 0.34 2.20 0.35 4.79 1.02 -0.53 -4.96 118.68 121.89 2jml s LEU 3 Ca -0.02 -1.14 0.08 0.00 0.02 0.00 0.00 54.13 53.07 2jml s LEU 3 Cb -0.03 -0.08 -0.03 0.00 0.02 0.00 0.00 46.19 46.07 2jml s LEU 3 CO -0.01 -0.54 0.30 -0.13 0.02 0.00 0.00 176.35 175.99 2jml s ARG 4 N -3.89 2.68 0.20 1.70 0.52 -1.26 -0.13 118.95 118.77 2jml s ARG 4 Ca 0.22 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 53.98 2jml s ARG 4 Cb 0.06 -2.44 0.26 0.00 0.52 0.00 0.00 34.95 33.34 2jml s ARG 4 CO 0.02 0.05 1.71 0.97 0.02 0.00 0.00 175.30 178.08 2jml h ILE 5 N 1.23 0.68 -0.84 1.52 -0.00 -1.95 0.20 117.51 118.35 2jml h ILE 5 Ca -0.44 -0.09 0.15 0.00 -0.00 0.00 0.00 64.86 64.48 2jml h ILE 5 Cb 1.26 0.38 -0.10 0.00 -0.00 0.00 0.00 36.82 38.36 2jml h ILE 5 CO 0.58 0.05 0.42 0.03 -0.00 0.00 0.00 178.15 179.23 2jml h ARG 6 N 0.27 0.56 -0.33 2.19 3.08 -1.96 0.11 114.38 118.31 2jml h ARG 6 Ca 0.29 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.20 2jml h ARG 6 Cb 0.42 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2jml h ARG 6 CO -0.37 0.37 -0.25 1.15 -1.07 0.00 0.00 179.97 179.81 2jml h THR 7 N 0.58 1.29 0.14 2.04 2.02 -1.41 -0.09 112.91 117.49 2jml h THR 7 Ca 0.47 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 2jml h THR 7 Cb 0.70 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2jml h THR 7 CO -0.39 0.45 -0.07 0.40 0.37 0.00 0.00 175.52 176.29 2jml h ILE 8 N 0.51 0.94 -0.60 3.11 2.04 -0.59 -3.18 117.51 119.75 2jml h ILE 8 Ca 0.06 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.61 2jml h ILE 8 Cb 0.81 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2jml h ILE 8 CO 0.07 0.08 0.40 0.00 0.00 0.00 0.00 178.15 178.69 2jml h ALA 9 N 0.50 1.61 0.00 1.87 0.00 -0.78 -2.25 119.26 120.21 2jml h ALA 9 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jml h ALA 9 Cb 0.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jml h ALA 9 CO 0.03 0.35 0.21 0.54 0.00 0.00 0.00 179.25 180.38 2jml n ARG 10 N -4.45 0.08 0.14 0.00 5.12 -0.05 -0.18 116.66 117.32 2jml n ARG 10 Ca 0.06 0.54 0.16 0.00 -1.93 0.00 0.00 57.85 56.68 2jml n ARG 10 Cb 0.08 -1.98 0.72 0.00 -1.16 0.00 0.00 32.46 30.12 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 0.00 0.00 5.56 2.86 -1.52 -3.41 114.93 118.42 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 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 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 -4.23 0.00 0.00 2.22 -1.04 -0.19 -5.04 114.28 106.00 2jml n THR 12 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2jml n THR 12 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 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 0.00 0.95 0.37 3.41 0.00 0.75 -4.65 105.19 106.03 2jml n GLY 13 Ca 0.00 -0.00 0.15 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 0.82 0.00 -0.61 -0.00 -1.96 0.96 117.51 116.71 2jml h ILE 14 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 64.86 64.72 2jml h ILE 14 Cb 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 36.82 37.18 2jml h ILE 14 CO 0.00 0.08 0.00 0.54 -0.00 0.00 0.00 178.15 178.77 2jml n ARG 15 N -4.48 0.16 -0.15 0.16 3.00 -1.26 -3.78 116.66 110.32 2jml n ARG 15 Ca 0.13 0.30 -0.04 0.00 -0.01 0.00 0.00 57.85 58.24 2jml n ARG 15 Cb 0.49 -1.76 0.05 0.00 0.00 0.00 0.00 32.46 31.24 2jml n ARG 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2jml h GLU 16 N 0.00 0.33 0.00 5.56 4.81 -1.07 0.20 114.58 124.40 2jml h GLU 16 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jml h GLU 16 Cb 0.46 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2jml h GLU 16 CO 0.00 0.22 -0.02 0.00 -0.73 0.00 0.00 179.01 178.47 2jml h ALA 17 N 1.30 1.30 0.04 2.92 0.00 -1.75 0.60 119.26 123.66 2jml h ALA 17 Ca 0.22 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 2jml h ALA 17 Cb 0.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jml h ALA 17 CO -0.22 0.03 -1.33 0.00 0.00 0.00 0.00 179.25 177.72 2jml h THR 18 N 0.00 0.93 0.03 0.00 1.03 -1.29 -3.20 112.91 110.42 2jml h THR 18 Ca -0.00 -2.25 0.03 0.00 -0.01 0.00 0.00 66.41 64.18 2jml h THR 18 Cb 0.09 2.41 -0.04 0.00 -1.07 0.00 0.00 68.15 69.54 2jml h THR 18 CO 0.00 0.49 -0.22 -0.07 -0.01 0.00 0.00 175.52 175.71 2jml h LEU 19 N -0.71 -0.63 -1.56 0.00 3.38 -0.43 0.24 115.31 115.59 2jml h LEU 19 Ca -0.33 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2jml h LEU 19 Cb 1.48 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2jml h LEU 19 CO -0.11 -0.29 -0.23 0.03 0.09 0.00 0.00 178.44 177.93 2jml h ARG 20 N -0.36 0.00 -0.06 1.13 2.47 -1.10 -2.23 114.38 114.23 2jml h ARG 20 Ca 0.05 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 2jml h ARG 20 Cb 0.43 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2jml h ARG 20 CO -0.18 0.23 -0.09 0.00 0.56 0.00 0.00 179.97 180.49 2jml h ALA 21 N 1.77 0.09 -0.51 0.04 0.00 -1.37 -3.31 119.26 115.96 2jml h ALA 21 Ca -0.00 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.69 2jml h ALA 21 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2jml h ALA 21 CO 0.03 -0.06 0.35 -1.49 0.00 0.00 0.00 179.25 178.08 2jml h TRP 22 N -0.32 0.29 -1.01 0.00 6.55 -0.14 0.25 115.95 121.57 2jml h TRP 22 Ca 0.00 0.01 0.29 0.00 0.95 0.00 0.00 58.89 60.15 2jml h TRP 22 Cb 0.65 -0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 28.81 2jml h TRP 22 CO 0.11 0.14 0.84 1.49 -1.05 0.00 0.00 178.44 179.97 2jml h GLU 23 N 0.27 0.00 0.00 0.49 4.81 -1.50 0.29 114.58 118.94 2jml h GLU 23 Ca 0.24 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.31 2jml h GLU 23 Cb 0.58 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2jml h GLU 23 CO -0.05 0.00 -1.61 -2.13 -0.73 0.00 0.00 179.01 174.49 2jml n ARG 24 N -3.91 1.85 0.15 1.92 0.63 -0.11 -4.50 116.66 112.70 2jml n ARG 24 Ca 0.22 0.02 0.02 0.00 -0.92 0.00 0.00 57.85 57.19 2jml n ARG 24 Cb 1.17 -1.22 0.13 0.00 0.45 0.00 0.00 32.46 32.99 2jml n ARG 24 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2jml h ARG 25 N 0.00 0.00 0.00 -0.14 2.43 0.02 -3.42 114.38 113.27 2jml h ARG 25 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2jml h ARG 25 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2jml h ARG 25 CO -0.00 0.52 0.00 0.66 -1.51 0.00 0.00 179.97 179.64 2jml n TYR 26 N -3.37 0.00 -0.24 2.20 4.01 -0.17 -4.98 117.16 114.61 2jml n TYR 26 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2jml n TYR 26 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 0.25 0.87 3.49 2.72 0.00 0.85 -5.03 105.19 108.35 2jml n GLY 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.02 2.77 0.70 1.61 2.19 -1.26 -2.85 117.98 119.12 2jml s PHE 28 Ca 0.00 -0.15 -0.16 0.00 0.33 0.00 0.00 56.93 56.95 2jml s PHE 28 Cb 0.00 -1.67 0.02 0.00 -1.31 0.00 0.00 43.02 40.07 2jml s PHE 28 CO 0.00 0.19 1.25 -1.25 1.83 0.00 0.00 175.22 177.25 2jml s PRO 29 N -0.67 2.26 -0.43 10.12 0.04 -1.26 -4.50 135.00 140.56 2jml s PRO 29 Ca 0.10 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 2jml s PRO 29 Cb -0.11 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.63 2jml s PRO 29 CO 0.01 -1.79 0.44 0.50 0.04 0.00 0.00 177.00 176.21 2jml s ARG 30 N -3.66 3.09 -0.02 4.56 3.52 -1.13 -4.78 118.95 120.53 2jml s ARG 30 Ca 0.79 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 2jml s ARG 30 Cb -0.34 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.02 2jml s ARG 30 CO 0.43 -0.88 1.41 -1.25 -0.81 0.00 0.00 175.30 174.20 2jml s PRO 31 N 2.14 4.27 0.92 5.12 0.04 -1.26 -4.85 135.00 141.38 2jml s PRO 31 Ca 0.12 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2jml s PRO 31 Cb -0.17 -3.62 0.15 0.00 0.04 0.00 0.00 34.50 30.89 2jml s PRO 31 CO 0.13 -0.61 1.11 -0.48 0.04 0.00 0.00 177.00 177.20 2jml s LEU 32 N 2.61 2.53 0.55 -3.56 2.34 -0.35 -4.88 118.68 117.92 2jml s LEU 32 Ca 0.64 1.96 -0.21 0.00 0.06 0.00 0.00 54.13 56.58 2jml s LEU 32 Cb -0.31 -4.33 -0.05 0.00 -0.56 0.00 0.00 46.19 40.94 2jml s LEU 32 CO 0.26 -3.04 1.27 -0.13 -1.06 0.00 0.00 176.35 173.65 2jml s ARG 33 N -4.69 3.19 0.30 1.48 0.52 -1.26 -4.48 118.95 114.01 2jml s ARG 33 Ca 0.66 2.02 -0.13 0.00 -0.52 0.00 0.00 55.73 57.76 2jml s ARG 33 Cb -0.22 -2.18 0.01 0.00 0.52 0.00 0.00 34.95 33.09 2jml s ARG 33 CO 0.58 -1.08 0.58 -1.54 0.02 0.00 0.00 175.30 173.87 2jml s SER 34 N -1.23 0.09 0.99 0.23 1.04 -1.26 -5.00 113.70 108.55 2jml s SER 34 Ca 0.72 -1.02 -0.14 0.00 0.48 0.00 0.00 55.95 55.99 2jml s SER 34 Cb -0.35 0.68 0.18 0.00 0.10 0.00 0.00 66.02 66.63 2jml s SER 34 CO 0.41 -1.32 1.16 -0.70 0.98 0.00 0.00 173.24 173.77 2jml s GLU 35 N -3.49 0.51 0.12 4.02 2.12 -1.26 -4.95 118.70 115.77 2jml s GLU 35 Ca 0.20 0.12 -0.27 0.00 0.36 0.00 0.00 54.97 55.38 2jml s GLU 35 Cb -0.02 -1.78 -0.07 0.00 0.26 0.00 0.00 34.13 32.51 2jml s GLU 35 CO 0.11 -2.59 1.62 0.78 -0.54 0.00 0.00 175.26 174.64 2jml h GLY 36 N -1.78 -0.55 2.00 -1.50 0.00 -2.03 -2.47 103.07 96.75 2jml h GLY 36 Ca -0.49 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2jml h GLY 36 CO 0.52 -0.24 0.00 3.43 0.00 0.00 0.00 176.54 180.26 2jml h ASN 37 N -0.49 0.00 -2.20 0.19 4.21 -2.08 -3.42 115.58 111.78 2jml h ASN 37 Ca 0.05 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 57.01 2jml h ASN 37 Cb 0.55 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.67 2jml h ASN 37 CO -0.22 0.00 1.12 0.21 -1.29 0.00 0.00 177.43 177.25 2jml s ASN 38 N -5.95 6.15 1.07 5.81 3.04 -0.93 -5.01 114.94 119.13 2jml s ASN 38 Ca 0.06 -0.53 -0.16 0.00 0.04 0.00 0.00 52.86 52.27 2jml s ASN 38 Cb 0.06 -2.56 0.10 0.00 -1.54 0.00 0.00 41.25 37.32 2jml s ASN 38 CO 0.64 -1.83 0.26 -1.22 -3.04 0.00 0.00 177.10 171.90 2jml n TYR 39 N 9.49 -1.35 -1.71 0.43 4.01 -1.26 -4.25 117.16 122.53 2jml n TYR 39 Ca 0.07 0.15 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 2jml n TYR 39 Cb 0.49 -1.66 -0.03 0.00 -0.31 0.00 0.00 39.34 37.84 2jml n TYR 39 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jml s ARG 40 N -3.63 3.97 0.30 -0.72 1.81 -1.26 -4.93 118.95 114.49 2jml s ARG 40 Ca 0.58 2.45 0.10 0.00 -1.72 0.00 0.00 55.73 57.13 2jml s ARG 40 Cb -0.16 -4.18 -0.06 0.00 -0.45 0.00 0.00 34.95 30.10 2jml s ARG 40 CO 0.66 -1.15 -0.13 0.14 -0.68 0.00 0.00 175.30 174.15 2jml s VAL 41 N 5.08 2.20 0.06 3.52 -7.23 -1.26 -3.64 120.40 119.12 2jml s VAL 41 Ca 0.88 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2jml s VAL 41 Cb -0.40 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2jml s VAL 41 CO 0.39 -0.31 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.47 2jml s TYR 42 N -2.66 0.81 0.75 2.82 2.02 0.82 -1.21 117.35 120.70 2jml s TYR 42 Ca 0.31 -0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 56.36 2jml s TYR 42 Cb 0.00 -0.47 0.04 0.00 -0.40 0.00 0.00 41.96 41.13 2jml s TYR 42 CO 0.15 -0.06 1.10 0.45 -1.57 0.00 0.00 175.55 175.62 2jml s SER 43 N -1.78 5.00 0.29 2.29 0.15 -1.26 -1.45 113.70 116.94 2jml s SER 43 Ca -0.06 1.19 -0.02 0.00 0.70 0.00 0.00 55.95 57.77 2jml s SER 43 Cb -0.08 -1.95 0.42 0.00 -1.71 0.00 0.00 66.02 62.70 2jml s SER 43 CO 0.00 -1.63 1.91 -0.09 1.20 0.00 0.00 173.24 174.63 2jml h ARG 44 N -0.86 1.00 -0.39 5.44 9.65 -1.98 -1.76 114.38 125.48 2jml h ARG 44 Ca -0.46 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.27 2jml h ARG 44 Cb 1.26 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 2jml h ARG 44 CO 0.62 0.73 0.07 1.05 2.80 0.00 0.00 179.97 185.24 2jml h GLU 45 N 1.01 0.64 -0.06 0.20 4.11 -1.96 0.18 114.58 118.69 2jml h GLU 45 Ca 0.26 -0.17 0.02 0.00 0.07 0.00 0.00 59.36 59.54 2jml h GLU 45 Cb 0.03 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2jml h GLU 45 CO -0.04 0.69 -0.08 0.93 0.07 0.00 0.00 179.01 180.59 2jml h GLU 46 N 0.49 -0.10 -0.49 1.06 3.07 -1.91 -0.27 114.58 116.44 2jml h GLU 46 Ca 0.12 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.01 2jml h GLU 46 Cb 0.36 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 2jml h GLU 46 CO 0.01 -0.07 0.29 0.28 -1.40 0.00 0.00 179.01 178.12 2jml h VAL 47 N -0.10 1.06 0.26 3.13 2.07 -1.13 0.19 116.25 121.72 2jml h VAL 47 Ca 0.05 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2jml h VAL 47 Cb 0.18 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2jml h VAL 47 CO -0.12 0.11 -0.13 -0.08 0.02 0.00 0.00 177.57 177.36 2jml h GLU 48 N 0.59 -0.35 0.13 1.57 4.57 -0.48 0.18 114.58 120.78 2jml h GLU 48 Ca 0.19 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2jml h GLU 48 Cb 0.01 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 2jml h GLU 48 CO -0.08 -0.23 -0.41 0.00 -1.18 0.00 0.00 179.01 177.10 2jml h ALA 49 N 0.38 -0.73 -0.74 2.92 0.00 -0.89 -1.71 119.26 118.49 2jml h ALA 49 Ca -0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2jml h ALA 49 Cb 0.28 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2jml h ALA 49 CO 0.05 -0.98 0.40 0.28 0.00 0.00 0.00 179.25 179.01 2jml h VAL 50 N -0.65 0.90 -0.60 0.00 2.07 -0.52 0.21 116.25 117.66 2jml h VAL 50 Ca 0.02 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2jml h VAL 50 Cb 0.67 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2jml h VAL 50 CO -0.24 0.13 0.15 -0.09 0.02 0.00 0.00 177.57 177.54 2jml h ARG 51 N 0.69 0.92 0.49 1.57 1.12 -0.34 0.35 114.38 119.19 2jml h ARG 51 Ca 0.36 -0.20 -0.02 0.00 -1.11 0.00 0.00 59.98 59.00 2jml h ARG 51 Cb 0.32 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2jml h ARG 51 CO -0.24 0.82 -0.24 -0.09 -3.11 0.00 0.00 179.97 177.12 2jml h ARG 52 N 0.89 -0.64 -0.44 0.20 2.43 -0.70 -3.17 114.38 112.95 2jml h ARG 52 Ca 0.19 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.49 2jml h ARG 52 Cb 0.31 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 29.92 2jml h ARG 52 CO -0.00 -0.33 -0.13 0.28 -1.51 0.00 0.00 179.97 178.28 2jml h VAL 53 N -0.95 0.53 -0.81 0.20 2.07 -0.40 -0.75 116.25 116.14 2jml h VAL 53 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 2jml h VAL 53 Cb 0.60 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2jml h VAL 53 CO 0.11 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.23 2jml h ALA 54 N 1.40 1.70 -0.05 1.67 0.00 -0.41 0.31 119.26 123.87 2jml h ALA 54 Ca 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 2jml h ALA 54 Cb 0.35 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jml h ALA 54 CO -0.46 0.15 -0.41 -0.09 0.00 0.00 0.00 179.25 178.43 2jml h ARG 55 N 0.80 0.37 0.00 0.00 2.43 -1.35 -2.90 114.38 113.73 2jml h ARG 55 Ca 0.37 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2jml h ARG 55 Cb 0.37 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2jml h ARG 55 CO -0.14 0.98 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.23 2jml h LEU 56 N -0.13 0.00 -0.02 3.80 4.07 -0.49 -2.02 115.31 120.52 2jml h LEU 56 Ca -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 2jml h LEU 56 Cb 1.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.82 2jml h LEU 56 CO 0.08 0.01 -0.01 0.40 -1.08 0.00 0.00 178.44 177.84 2jml h ILE 57 N 0.00 1.33 0.00 1.22 2.04 -0.44 -3.24 117.51 118.41 2jml h ILE 57 Ca -0.00 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2jml h ILE 57 Cb 0.01 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2jml h ILE 57 CO 0.00 0.26 0.16 1.56 0.00 0.00 0.00 178.15 180.13 2jml h GLN 58 N -0.36 0.00 -0.39 2.37 1.08 -1.14 0.25 115.11 116.91 2jml h GLN 58 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 2jml h GLN 58 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2jml h GLN 58 CO 0.00 0.00 -0.21 0.93 -0.95 0.00 0.00 178.83 178.60 2jml h GLU 59 N 0.00 0.77 0.00 1.46 4.39 -1.56 -3.45 114.58 116.18 2jml h GLU 59 Ca 0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2jml h GLU 59 Cb 0.32 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2jml h GLU 59 CO 0.00 0.91 0.00 0.39 -1.16 0.00 0.00 179.01 179.15 2jml n GLU 60 N -4.12 0.00 0.00 2.33 -0.58 -0.33 -5.08 120.64 112.86 2jml n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jml n GLU 60 Cb 0.42 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jml n GLY 61 N -0.86 3.09 0.38 0.62 0.00 0.73 -4.87 105.19 104.27 2jml n GLY 61 Ca 0.00 -0.80 0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 0.56 0.00 0.99 5.85 -1.91 -0.39 115.31 120.41 2jml h LEU 62 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 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 0.16 0.17 -1.20 -0.34 0.00 0.00 178.44 177.23 2jml n SER 63 N -4.66 0.00 0.00 1.25 7.64 -1.26 -0.97 113.62 115.62 2jml n SER 63 Ca 0.24 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2jml n SER 63 Cb 0.73 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -1.25 0.00 -0.03 0.44 0.31 -0.16 -1.08 118.33 116.57 2jml n VAL 64 Ca 0.00 1.09 -0.02 0.00 -0.01 0.00 0.00 64.34 65.40 2jml n VAL 64 Cb 0.17 -2.02 0.25 0.00 -0.91 0.00 0.00 33.84 31.32 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 0.56 0.53 4.52 0.87 -1.53 -1.68 113.55 116.81 2jml h SER 65 Ca 0.00 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 2jml h SER 65 Cb 0.00 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2jml h SER 65 CO 0.00 0.66 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.62 2jml h GLU 66 N 0.55 -0.68 0.00 2.24 4.81 -1.19 -1.25 114.58 119.06 2jml h GLU 66 Ca 0.11 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2jml h GLU 66 Cb 0.42 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 2jml h GLU 66 CO 0.02 -0.41 -0.21 0.00 -0.73 0.00 0.00 179.01 177.68 2jml h ALA 67 N -1.02 1.01 0.66 2.92 0.00 -1.13 0.21 119.26 121.91 2jml h ALA 67 Ca -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2jml h ALA 67 Cb 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jml h ALA 67 CO 0.12 0.26 -0.37 0.82 0.00 0.00 0.00 179.25 180.07 2jml h ILE 68 N 0.00 0.00 -0.71 0.00 2.04 -1.39 0.44 117.51 117.90 2jml h ILE 68 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2jml h ILE 68 Cb 0.75 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2jml h ILE 68 CO 0.03 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.57 2jml h ALA 69 N -1.41 0.96 0.57 1.87 0.00 -0.60 0.66 119.26 121.32 2jml h ALA 69 Ca -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jml h ALA 69 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jml h ALA 69 CO 0.11 0.06 -0.42 1.96 0.00 0.00 0.00 179.25 180.96 2jml h GLN 70 N 0.71 -0.92 0.00 0.00 4.20 -0.66 -0.11 115.11 118.33 2jml h GLN 70 Ca 0.32 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2jml h GLN 70 Cb 0.23 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2jml h GLN 70 CO -0.20 -0.61 0.00 -0.24 -0.67 0.00 0.00 178.83 177.11 2jml h VAL 71 N -0.95 0.00 0.01 -0.54 3.04 -0.57 0.34 116.25 117.58 2jml h VAL 71 Ca -0.08 -0.19 -0.23 0.00 -1.01 0.00 0.00 66.70 65.19 2jml h VAL 71 Cb 0.79 0.96 -0.03 0.00 -2.01 0.00 0.00 31.29 30.99 2jml h VAL 71 CO 0.03 0.00 -1.16 0.11 -1.01 0.00 0.00 177.57 175.54 2jml h LYS 72 N 0.00 0.01 0.00 4.17 1.79 -0.71 -3.36 116.57 118.47 2jml h LYS 72 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2jml h LYS 72 Cb 0.24 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2jml h LYS 72 CO 0.00 0.90 -1.07 -2.37 -1.08 0.00 0.00 179.45 175.83 2jml n THR 73 N -3.29 0.30 -2.67 -0.16 5.66 -0.07 -4.85 114.28 109.20 2jml n THR 73 Ca -0.04 -0.36 -0.43 0.00 -3.05 0.00 0.00 64.05 60.17 2jml n THR 73 Cb 0.97 -0.01 -0.02 0.00 -1.55 0.00 0.00 70.33 69.71 2jml n THR 73 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2jml s GLU 74 N -3.27 3.86 0.56 1.09 2.12 0.11 -5.06 118.70 118.10 2jml s GLU 74 Ca 0.02 0.73 -0.18 0.00 0.36 0.00 0.00 54.97 55.89 2jml s GLU 74 Cb 0.13 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 2jml s GLU 74 CO 0.80 -1.11 1.11 -1.25 -0.54 0.00 0.00 175.26 174.26 2jml s PRO 75 N 3.93 3.29 0.71 4.30 0.04 -1.26 -4.84 135.00 141.16 2jml s PRO 75 Ca 0.44 1.50 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 2jml s PRO 75 Cb -0.10 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.46 2jml s PRO 75 CO 0.23 -0.88 1.11 -1.25 0.04 0.00 0.00 177.00 176.25 2jml s PRO 76 N -3.51 2.55 -0.24 0.56 0.04 -1.26 -5.06 135.00 128.07 2jml s PRO 76 Ca 0.70 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2jml s PRO 76 Cb -0.22 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.54 2jml s PRO 76 CO 0.30 -1.44 0.41 1.03 0.04 0.00 0.00 177.00 177.34 2jml s ARG 77 N -4.41 0.37 0.00 4.56 0.52 -1.26 -5.31 118.95 113.42 2jml s ARG 77 Ca 0.65 0.65 0.18 0.00 -0.52 0.00 0.00 55.73 56.69 2jml s ARG 77 Cb -0.19 -0.27 0.14 0.00 0.52 0.00 0.00 34.95 35.15 2jml s ARG 77 CO 0.47 -0.59 1.08 0.39 0.02 0.00 0.00 175.30 176.67