#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 6.20 -0.27 1.61 0.01 -1.26 -4.98 113.70 115.02 2jml s SER -1 Ca 0.00 -0.64 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 2jml s SER -1 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2jml s SER -1 CO 0.00 -1.75 1.85 -1.38 0.41 0.00 0.00 173.24 172.37 2jml s HIS 0 N 5.42 1.73 0.92 2.43 0.00 -1.26 -4.98 115.29 119.55 2jml s HIS 0 Ca 0.35 0.53 -0.11 0.00 -3.00 0.00 0.00 55.06 52.83 2jml s HIS 0 Cb -0.08 -4.07 0.14 0.00 -4.00 0.00 0.00 32.58 24.57 2jml s HIS 0 CO 0.12 -3.30 1.11 1.41 -1.00 0.00 0.00 174.74 173.08 2jml s MET 1 N 5.51 1.04 -0.13 -0.38 -2.45 -1.26 -5.06 119.30 116.56 2jml s MET 1 Ca 0.82 1.27 -0.14 0.00 -1.25 0.00 0.00 55.69 56.40 2jml s MET 1 Cb -0.26 -1.75 0.04 0.00 1.25 0.00 0.00 34.83 34.11 2jml s MET 1 CO 0.33 -2.52 0.38 0.95 1.05 0.00 0.00 175.02 175.21 2jml s THR 2 N -2.72 0.01 0.07 10.11 -4.23 -1.26 -5.11 115.64 112.51 2jml s THR 2 Ca 0.65 -0.05 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 2jml s THR 2 Cb -0.21 -0.56 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 2jml s THR 2 CO 0.58 -0.03 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.78 2jml s LEU 3 N 0.03 2.31 0.50 4.79 2.01 -1.26 -5.09 118.68 121.96 2jml s LEU 3 Ca -0.02 -0.66 0.08 0.00 0.01 0.00 0.00 54.13 53.55 2jml s LEU 3 Cb -0.03 -0.29 0.04 0.00 0.01 0.00 0.00 46.19 45.92 2jml s LEU 3 CO 0.01 -0.19 0.61 0.00 1.01 0.00 0.00 176.35 177.78 2jml s ARG 4 N -2.03 2.50 0.40 1.70 3.03 -1.26 -2.38 118.95 120.90 2jml s ARG 4 Ca -0.03 -1.55 0.15 0.00 2.03 0.00 0.00 55.73 56.33 2jml s ARG 4 Cb -0.08 -2.56 1.01 0.00 -1.03 0.00 0.00 34.95 32.29 2jml s ARG 4 CO 0.01 -0.54 1.86 0.97 -1.13 0.00 0.00 175.30 176.46 2jml h ILE 5 N 0.53 0.72 -0.81 4.99 -0.00 -1.93 0.83 117.51 121.85 2jml h ILE 5 Ca -0.36 -0.17 0.20 0.00 -0.00 0.00 0.00 64.86 64.53 2jml h ILE 5 Cb 1.28 0.19 -0.05 0.00 -0.00 0.00 0.00 36.82 38.25 2jml h ILE 5 CO 0.47 0.09 0.55 -0.09 -0.00 0.00 0.00 178.15 179.17 2jml h ARG 6 N 0.48 0.24 -0.03 2.19 2.43 -1.96 0.47 114.38 118.20 2jml h ARG 6 Ca 0.46 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.50 2jml h ARG 6 Cb 1.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2jml h ARG 6 CO -0.19 0.16 -0.56 1.15 -1.51 0.00 0.00 179.97 179.02 2jml h THR 7 N 0.25 1.39 0.00 0.20 2.02 -1.21 0.28 112.91 115.85 2jml h THR 7 Ca 0.40 -1.91 -0.23 0.00 0.77 0.00 0.00 66.41 65.44 2jml h THR 7 Cb 1.20 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 69.57 2jml h THR 7 CO -0.10 0.55 -1.26 0.40 0.37 0.00 0.00 175.52 175.49 2jml h ILE 8 N 0.06 1.22 0.01 3.11 2.04 -0.29 -3.30 117.51 120.36 2jml h ILE 8 Ca -0.00 -2.93 -0.01 0.00 1.00 0.00 0.00 64.86 62.91 2jml h ILE 8 Cb 1.01 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2jml h ILE 8 CO 0.08 0.69 -0.04 0.00 0.00 0.00 0.00 178.15 178.88 2jml h ALA 9 N 1.08 -0.00 -0.10 1.87 0.00 -0.42 -3.25 119.26 118.42 2jml h ALA 9 Ca -0.13 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.31 2jml h ALA 9 Cb 1.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2jml h ALA 9 CO 0.10 0.01 0.44 0.07 0.00 0.00 0.00 179.25 179.88 2jml h ARG 10 N -0.95 0.00 -0.85 0.00 0.11 -1.10 0.33 114.38 111.92 2jml h ARG 10 Ca -0.01 0.00 0.20 0.00 0.10 0.00 0.00 59.98 60.28 2jml h ARG 10 Cb 1.02 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.95 2jml h ARG 10 CO 0.01 0.00 -0.02 0.52 0.10 0.00 0.00 179.97 180.57 2jml h MET 11 N 0.00 0.06 0.00 0.08 2.86 -1.63 -3.35 114.93 112.95 2jml h MET 11 Ca 0.05 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2jml h MET 11 Cb 0.94 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.59 2jml h MET 11 CO -0.00 0.04 -0.25 -2.37 1.06 0.00 0.00 176.91 175.39 2jml n THR 12 N -5.43 0.00 0.00 2.22 5.66 -0.89 -5.04 114.28 110.81 2jml n THR 12 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2jml n THR 12 Cb 0.56 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 2jml n THR 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jml n GLY 13 N 0.83 3.16 0.13 1.09 0.00 0.11 -4.82 105.19 105.68 2jml n GLY 13 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2jml n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2jml h ILE 14 N 0.00 0.87 -1.09 -0.61 5.03 -1.96 -3.28 117.51 116.47 2jml h ILE 14 Ca 0.00 -2.38 0.30 0.00 -0.12 0.00 0.00 64.86 62.66 2jml h ILE 14 Cb 0.00 2.61 -0.07 0.00 -3.03 0.00 0.00 36.82 36.33 2jml h ILE 14 CO 0.00 0.76 0.75 0.03 -0.68 0.00 0.00 178.15 179.01 2jml h ARG 15 N -0.18 0.16 -0.58 2.37 3.08 -1.88 -2.33 114.38 115.02 2jml h ARG 15 Ca -0.35 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.80 2jml h ARG 15 Cb 1.86 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 31.76 2jml h ARG 15 CO 0.06 0.11 -0.23 1.49 -1.07 0.00 0.00 179.97 180.33 2jml h GLU 16 N 0.16 -0.08 -0.44 0.04 4.81 -1.77 0.55 114.58 117.85 2jml h GLU 16 Ca 0.56 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.93 2jml h GLU 16 Cb 1.89 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.27 2jml h GLU 16 CO -0.13 -0.05 0.34 0.00 -0.73 0.00 0.00 179.01 178.44 2jml h ALA 17 N 1.33 2.34 0.09 2.92 0.00 -1.63 -0.14 119.26 124.18 2jml h ALA 17 Ca 0.26 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 2jml h ALA 17 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2jml h ALA 17 CO -0.64 -0.57 -0.91 1.15 0.00 0.00 0.00 179.25 178.28 2jml h THR 18 N 0.00 1.34 0.01 0.00 2.02 -0.73 -2.94 112.91 112.61 2jml h THR 18 Ca 0.21 -2.42 -0.00 0.00 0.77 0.00 0.00 66.41 64.97 2jml h THR 18 Cb 0.89 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 2jml h THR 18 CO -0.00 0.65 -0.00 -0.07 0.37 0.00 0.00 175.52 176.46 2jml h LEU 19 N -0.53 -0.01 -1.49 2.58 3.38 0.12 0.42 115.31 119.78 2jml h LEU 19 Ca -0.19 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2jml h LEU 19 Cb 1.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2jml h LEU 19 CO 0.05 0.02 -0.26 0.03 0.09 0.00 0.00 178.44 178.37 2jml h ARG 20 N -0.04 0.00 0.51 1.13 3.08 -1.29 -2.43 114.38 115.34 2jml h ARG 20 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2jml h ARG 20 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2jml h ARG 20 CO 0.00 0.26 -0.24 0.00 -1.07 0.00 0.00 179.97 178.92 2jml h ALA 21 N 1.74 -0.87 -1.38 0.04 0.00 -1.07 -3.19 119.26 114.53 2jml h ALA 21 Ca -0.00 -0.15 0.42 0.00 0.00 0.00 0.00 54.91 55.18 2jml h ALA 21 Cb 0.51 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 2jml h ALA 21 CO 0.03 -0.82 0.93 -1.49 0.00 0.00 0.00 179.25 177.91 2jml h TRP 22 N -0.92 0.36 -0.58 0.00 6.55 -0.18 0.38 115.95 121.56 2jml h TRP 22 Ca -0.07 0.02 0.11 0.00 0.95 0.00 0.00 58.89 59.89 2jml h TRP 22 Cb 0.52 -0.09 -0.11 0.00 -0.86 0.00 0.00 29.16 28.62 2jml h TRP 22 CO 0.04 -0.09 -0.27 1.49 -1.05 0.00 0.00 178.44 178.55 2jml h GLU 23 N 0.10 -0.12 0.00 0.49 4.81 -1.42 0.67 114.58 119.11 2jml h GLU 23 Ca 0.77 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 60.00 2jml h GLU 23 Cb 2.58 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.99 2jml h GLU 23 CO -0.26 -0.08 -1.01 -2.13 -0.73 0.00 0.00 179.01 174.81 2jml n ARG 24 N -5.44 0.35 -0.05 1.92 0.63 0.23 -4.25 116.66 110.05 2jml n ARG 24 Ca 0.05 0.02 -0.02 0.00 -0.92 0.00 0.00 57.85 56.98 2jml n ARG 24 Cb 0.35 -1.63 -0.01 0.00 0.45 0.00 0.00 32.46 31.61 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 0.19 -3.47 114.38 113.39 2jml h ARG 25 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jml h ARG 25 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2jml h ARG 25 CO 0.00 0.09 0.00 0.66 -1.51 0.00 0.00 179.97 179.21 2jml n TYR 26 N -4.76 -0.08 0.00 2.20 4.01 0.75 -4.99 117.16 114.30 2jml n TYR 26 Ca -0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2jml n TYR 26 Cb 0.06 0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 2.84 -0.14 3.77 2.72 0.00 0.20 -4.94 105.19 109.64 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 -0.29 3.82 0.61 1.61 2.19 -1.26 -1.89 117.98 122.77 2jml s PHE 28 Ca 0.00 1.51 -0.17 0.00 0.33 0.00 0.00 56.93 58.59 2jml s PHE 28 Cb 0.00 -2.74 -0.03 0.00 -1.31 0.00 0.00 43.02 38.94 2jml s PHE 28 CO 0.00 0.43 1.14 -1.25 1.83 0.00 0.00 175.22 177.36 2jml s PRO 29 N -0.69 3.01 -0.38 10.12 0.04 -1.26 -4.59 135.00 141.24 2jml s PRO 29 Ca 0.36 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.73 2jml s PRO 29 Cb -0.21 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.37 2jml s PRO 29 CO 0.24 -1.12 0.77 -0.98 0.04 0.00 0.00 177.00 175.95 2jml s ARG 30 N -3.65 3.69 -0.04 4.56 1.70 -0.79 -4.89 118.95 119.52 2jml s ARG 30 Ca 0.71 0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 55.89 2jml s ARG 30 Cb -0.24 -3.83 -0.05 0.00 -0.57 0.00 0.00 34.95 30.27 2jml s ARG 30 CO 0.35 -0.89 1.42 -1.25 -1.08 0.00 0.00 175.30 173.85 2jml s PRO 31 N 3.10 4.25 1.07 3.89 0.04 -1.26 -4.87 135.00 141.23 2jml s PRO 31 Ca 0.30 1.95 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 2jml s PRO 31 Cb -0.13 -3.69 0.23 0.00 0.04 0.00 0.00 34.50 30.95 2jml s PRO 31 CO 0.18 -0.65 1.06 -0.48 0.04 0.00 0.00 177.00 177.15 2jml s LEU 32 N 2.94 1.30 1.25 -3.56 2.34 -0.87 -4.90 118.68 117.17 2jml s LEU 32 Ca 0.64 1.42 -0.17 0.00 0.06 0.00 0.00 54.13 56.08 2jml s LEU 32 Cb -0.30 -3.49 0.29 0.00 -0.56 0.00 0.00 46.19 42.13 2jml s LEU 32 CO 0.25 -3.66 0.78 0.54 -1.06 0.00 0.00 176.35 173.20 2jml n ARG 33 N -4.55 -3.03 -3.77 1.48 3.00 -1.26 -4.03 116.66 104.50 2jml n ARG 33 Ca 0.04 -0.87 -0.08 0.00 -0.01 0.00 0.00 57.85 56.93 2jml n ARG 33 Cb 0.55 -1.99 -0.02 0.00 0.00 0.00 0.00 32.46 31.00 2jml n ARG 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2jml s SER 34 N -2.43 -0.31 1.05 0.55 1.04 -1.26 -4.53 113.70 107.81 2jml s SER 34 Ca 0.65 -0.50 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 2jml s SER 34 Cb -0.19 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2jml s SER 34 CO 0.62 -1.23 0.11 1.21 0.98 0.00 0.00 173.24 174.94 2jml n GLU 35 N -0.43 -2.05 0.00 4.02 2.13 -1.26 -5.00 120.64 118.06 2jml n GLU 35 Ca -0.07 -0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.56 2jml n GLU 35 Cb 0.61 -0.22 0.00 0.00 0.27 0.00 0.00 31.44 32.09 2jml n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jml n GLY 36 N -0.06 -2.29 0.31 8.31 0.00 -1.26 -4.03 105.19 106.17 2jml n GLY 36 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2jml n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jml h ASN 37 N 0.00 0.81 -0.62 1.61 2.35 -2.08 -3.42 115.58 114.24 2jml h ASN 37 Ca 0.00 0.01 -0.75 0.00 -0.55 0.00 0.00 56.30 55.01 2jml h ASN 37 Cb 0.00 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2jml h ASN 37 CO 0.00 0.54 1.22 -3.20 -1.65 0.00 0.00 177.43 174.34 2jml n ASN 38 N -4.62 1.40 -4.73 5.81 5.15 -1.26 -4.91 115.26 112.09 2jml n ASN 38 Ca 0.11 0.71 -0.30 0.00 -0.60 0.00 0.00 54.58 54.50 2jml n ASN 38 Cb 0.14 -1.03 0.13 0.00 -0.53 0.00 0.00 39.78 38.49 2jml n ASN 38 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2jml s TYR 39 N 5.72 2.39 0.75 1.20 2.02 -1.26 -4.01 117.35 124.16 2jml s TYR 39 Ca 1.13 1.30 -0.16 0.00 -0.37 0.00 0.00 57.07 58.97 2jml s TYR 39 Cb -1.27 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 37.13 2jml s TYR 39 CO 0.63 -2.25 0.50 2.89 -1.57 0.00 0.00 175.55 175.75 2jml n ARG 40 N -3.79 0.22 -4.12 -0.62 1.85 -1.26 -4.80 116.66 104.14 2jml n ARG 40 Ca 0.07 0.12 -0.09 0.00 -1.00 0.00 0.00 57.85 56.95 2jml n ARG 40 Cb 0.55 -1.82 -0.10 0.00 -1.05 0.00 0.00 32.46 30.04 2jml n ARG 40 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2jml s VAL 41 N -1.97 0.11 0.46 8.89 0.11 -1.26 -4.63 120.40 122.11 2jml s VAL 41 Ca 0.64 -1.84 0.04 0.00 -2.93 0.00 0.00 61.98 57.89 2jml s VAL 41 Cb -0.33 -1.96 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 2jml s VAL 41 CO 0.59 -0.50 0.01 -0.31 -3.33 0.00 0.00 175.10 171.56 2jml s TYR 42 N -4.03 2.18 0.05 1.54 1.51 -1.00 -2.06 117.35 115.54 2jml s TYR 42 Ca 0.22 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.48 2jml s TYR 42 Cb 0.07 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 2jml s TYR 42 CO 0.00 0.33 0.06 -1.54 -1.11 0.00 0.00 175.55 173.29 2jml s SER 43 N -3.79 5.46 0.23 2.29 1.04 -1.26 -4.60 113.70 113.08 2jml s SER 43 Ca 0.20 0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.60 2jml s SER 43 Cb 0.06 -1.47 0.24 0.00 0.10 0.00 0.00 66.02 64.94 2jml s SER 43 CO 0.10 0.21 1.68 -0.09 0.98 0.00 0.00 173.24 176.12 2jml h ARG 44 N 3.61 0.80 -0.28 4.02 9.65 -1.98 -1.46 114.38 128.75 2jml h ARG 44 Ca -0.48 -0.27 -0.07 0.00 -1.10 0.00 0.00 59.98 58.06 2jml h ARG 44 Cb 1.17 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.67 2jml h ARG 44 CO 0.63 0.88 -0.13 1.05 2.80 0.00 0.00 179.97 185.21 2jml h GLU 45 N 0.73 0.47 -0.04 0.20 4.11 -2.01 -2.79 114.58 115.25 2jml h GLU 45 Ca 0.12 -0.14 -0.24 0.00 0.07 0.00 0.00 59.36 59.18 2jml h GLU 45 Cb 0.61 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.82 2jml h GLU 45 CO 0.04 0.60 -0.90 1.49 0.07 0.00 0.00 179.01 180.31 2jml h GLU 46 N 0.44 0.68 -0.45 1.06 4.22 -1.94 -3.14 114.58 115.45 2jml h GLU 46 Ca 0.08 -0.68 0.13 0.00 0.08 0.00 0.00 59.36 58.97 2jml h GLU 46 Cb 0.49 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2jml h GLU 46 CO 0.03 1.27 0.34 0.28 -2.18 0.00 0.00 179.01 178.75 2jml h VAL 47 N 0.35 0.70 -0.03 0.32 2.07 -1.10 -1.73 116.25 116.83 2jml h VAL 47 Ca -0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2jml h VAL 47 Cb 1.56 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 2jml h VAL 47 CO 0.18 0.00 -0.52 -0.08 0.02 0.00 0.00 177.57 177.17 2jml h GLU 48 N 0.00 -0.60 -0.31 1.57 4.57 -1.44 0.59 114.58 118.96 2jml h GLU 48 Ca 0.21 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.49 2jml h GLU 48 Cb 0.89 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.56 2jml h GLU 48 CO -0.00 -0.40 -0.05 0.00 -1.18 0.00 0.00 179.01 177.37 2jml h ALA 49 N -0.45 0.23 -0.48 2.92 0.00 -1.48 -0.88 119.26 119.11 2jml h ALA 49 Ca 0.02 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jml h ALA 49 Cb 0.68 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2jml h ALA 49 CO -0.36 -0.45 0.31 0.28 0.00 0.00 0.00 179.25 179.03 2jml h VAL 50 N 0.03 1.10 -0.96 0.00 2.07 -1.21 0.26 116.25 117.54 2jml h VAL 50 Ca 0.15 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2jml h VAL 50 Cb 0.22 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 2jml h VAL 50 CO -0.30 0.11 0.59 0.03 0.02 0.00 0.00 177.57 178.03 2jml h ARG 51 N 0.63 0.90 0.30 1.57 3.08 0.76 0.44 114.38 122.06 2jml h ARG 51 Ca 0.18 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2jml h ARG 51 Cb -0.04 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.81 2jml h ARG 51 CO -0.05 0.59 -0.15 -0.09 -1.07 0.00 0.00 179.97 179.20 2jml h ARG 52 N 0.92 -0.39 0.32 0.04 2.43 0.23 -2.26 114.38 115.67 2jml h ARG 52 Ca 0.48 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.67 2jml h ARG 52 Cb 0.50 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2jml h ARG 52 CO -0.27 -0.06 -0.35 0.28 -1.51 0.00 0.00 179.97 178.05 2jml h VAL 53 N -0.83 0.00 -0.76 0.20 2.07 -0.10 0.25 116.25 117.08 2jml h VAL 53 Ca -0.04 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.62 2jml h VAL 53 Cb 0.52 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.15 2jml h VAL 53 CO 0.07 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.38 2jml h ALA 54 N -1.14 0.27 -0.19 1.67 0.00 -0.27 0.48 119.26 120.09 2jml h ALA 54 Ca -0.04 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2jml h ALA 54 Cb 0.60 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2jml h ALA 54 CO -0.06 -0.53 0.04 -0.09 0.00 0.00 0.00 179.25 178.61 2jml h ARG 55 N -0.06 0.12 -0.98 0.00 1.12 -1.06 -1.86 114.38 111.66 2jml h ARG 55 Ca 0.33 -0.01 0.02 0.00 -1.11 0.00 0.00 59.98 59.21 2jml h ARG 55 Cb 0.58 -0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.46 2jml h ARG 55 CO -0.80 0.08 0.65 -0.07 -3.11 0.00 0.00 179.97 176.72 2jml h LEU 56 N 0.12 1.11 -1.02 3.80 3.38 0.17 -2.06 115.31 120.81 2jml h LEU 56 Ca 0.08 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2jml h LEU 56 Cb 0.07 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 2jml h LEU 56 CO -0.10 0.79 0.66 0.40 0.09 0.00 0.00 178.44 180.27 2jml h ILE 57 N 1.30 1.17 -0.44 1.22 5.03 -0.01 -1.40 117.51 124.38 2jml h ILE 57 Ca 0.37 -0.43 0.13 0.00 -0.12 0.00 0.00 64.86 64.80 2jml h ILE 57 Cb -0.10 -0.21 -0.02 0.00 -3.03 0.00 0.00 36.82 33.47 2jml h ILE 57 CO -0.09 0.23 0.60 -0.61 -0.68 0.00 0.00 178.15 177.60 2jml h GLN 58 N 1.26 0.00 0.17 2.37 -0.00 -0.58 0.14 115.11 118.47 2jml h GLN 58 Ca 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.04 2jml h GLN 58 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.49 2jml h GLN 58 CO -0.13 0.00 -0.08 0.93 0.00 0.00 0.00 178.83 179.55 2jml h GLU 59 N 0.00 -0.22 0.00 1.69 4.39 -1.31 -3.46 114.58 115.68 2jml h GLU 59 Ca 0.21 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2jml h GLU 59 Cb 1.40 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 2jml h GLU 59 CO -0.00 0.09 -0.31 0.39 -1.16 0.00 0.00 179.01 178.03 2jml n GLU 60 N -4.91 0.00 0.00 2.33 1.02 -0.76 -5.05 120.64 113.26 2jml n GLU 60 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2jml n GLU 60 Cb 0.21 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 2.09 3.12 0.37 0.62 0.00 0.41 -4.91 105.19 106.88 2jml n GLY 61 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.47 -0.92 0.99 5.85 -1.90 0.35 115.31 120.16 2jml h LEU 62 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2jml h LEU 62 Cb 0.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2jml h LEU 62 CO 0.00 0.26 0.41 0.28 -0.34 0.00 0.00 178.44 179.05 2jml h SER 63 N 0.51 0.00 0.00 1.25 0.02 -1.91 -0.21 113.55 113.21 2jml h SER 63 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 2jml h SER 63 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2jml h SER 63 CO -0.13 0.00 0.00 0.52 -1.14 0.00 0.00 176.83 176.08 2jml n VAL 64 N -2.20 0.00 0.14 2.27 0.31 0.11 0.37 118.33 119.33 2jml n VAL 64 Ca -0.01 1.46 0.02 0.00 -0.01 0.00 0.00 64.34 65.80 2jml n VAL 64 Cb 0.43 -2.16 0.07 0.00 -0.91 0.00 0.00 33.84 31.27 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 0.00 0.29 4.52 0.87 -1.34 -2.38 113.55 115.52 2jml h SER 65 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2jml h SER 65 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jml h SER 65 CO 0.00 0.54 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.37 2jml h GLU 66 N 0.00 -0.38 -0.70 2.24 5.08 -1.13 0.30 114.58 119.99 2jml h GLU 66 Ca -0.01 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2jml h GLU 66 Cb 1.34 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 2jml h GLU 66 CO 0.07 -0.25 0.46 0.00 -1.00 0.00 0.00 179.01 178.28 2jml h ALA 67 N -1.16 0.89 0.19 3.43 0.00 -0.24 0.80 119.26 123.16 2jml h ALA 67 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jml h ALA 67 Cb 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jml h ALA 67 CO 0.07 0.29 -0.09 0.82 0.00 0.00 0.00 179.25 180.34 2jml h ILE 68 N 0.93 0.84 -0.04 0.00 2.04 -1.32 0.23 117.51 120.20 2jml h ILE 68 Ca 0.26 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 2jml h ILE 68 Cb -0.09 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2jml h ILE 68 CO -0.06 0.04 -0.12 0.00 0.00 0.00 0.00 178.15 178.00 2jml h ALA 69 N 0.46 1.73 0.46 1.87 0.00 -0.55 -0.25 119.26 122.98 2jml h ALA 69 Ca -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jml h ALA 69 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jml h ALA 69 CO 0.04 0.20 -0.22 1.96 0.00 0.00 0.00 179.25 181.23 2jml h GLN 70 N 0.05 -0.59 -0.51 0.00 4.20 0.84 0.19 115.11 119.30 2jml h GLN 70 Ca 0.01 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2jml h GLN 70 Cb 0.25 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2jml h GLN 70 CO 0.02 -0.37 0.34 -0.24 -0.67 0.00 0.00 178.83 177.90 2jml h VAL 71 N -1.15 1.09 0.05 -0.54 3.04 -0.54 0.28 116.25 118.49 2jml h VAL 71 Ca -0.06 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2jml h VAL 71 Cb 0.49 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 2jml h VAL 71 CO 0.10 0.12 -0.03 0.11 -1.01 0.00 0.00 177.57 176.86 2jml h LYS 72 N 0.63 -0.07 0.00 4.17 1.57 -1.02 -2.95 116.57 118.90 2jml h LYS 72 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2jml h LYS 72 Cb 0.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2jml h LYS 72 CO -0.05 0.40 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 2jml h THR 73 N -0.57 0.00 -3.46 -0.16 1.03 -0.32 -3.44 112.91 105.98 2jml h THR 73 Ca -0.01 -0.19 -0.54 0.00 -0.01 0.00 0.00 66.41 65.67 2jml h THR 73 Cb 0.50 0.96 -0.03 0.00 -1.07 0.00 0.00 68.15 68.51 2jml h THR 73 CO 0.01 0.00 0.03 -1.61 -0.01 0.00 0.00 175.52 173.94 2jml s GLU 74 N -3.62 4.14 0.68 0.00 2.02 0.94 -5.04 118.70 117.82 2jml s GLU 74 Ca -0.00 0.71 -0.13 0.00 0.02 0.00 0.00 54.97 55.57 2jml s GLU 74 Cb 0.09 -2.91 0.01 0.00 0.10 0.00 0.00 34.13 31.42 2jml s GLU 74 CO 0.38 0.43 1.08 -1.25 0.02 0.00 0.00 175.26 175.92 2jml s PRO 75 N -1.95 2.82 -1.24 0.39 0.04 -1.26 -4.89 135.00 128.91 2jml s PRO 75 Ca 0.40 1.20 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2jml s PRO 75 Cb -0.16 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2jml s PRO 75 CO 0.20 -1.21 2.37 -0.35 0.04 0.00 0.00 177.00 178.05 2jml n PRO 76 N -2.75 2.66 -3.11 0.56 -0.04 -1.26 -4.55 135.00 126.51 2jml n PRO 76 Ca 0.09 -2.04 0.05 0.00 -0.04 0.00 0.00 63.50 61.56 2jml n PRO 76 Cb 0.53 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 2jml n PRO 76 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jml s ARG 77 N 3.27 0.17 0.00 0.54 0.52 -1.26 -5.31 118.95 116.88 2jml s ARG 77 Ca 0.54 0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.94 2jml s ARG 77 Cb 0.14 0.07 0.33 0.00 0.52 0.00 0.00 34.95 36.01 2jml s ARG 77 CO -0.03 -0.32 0.80 0.39 0.02 0.00 0.00 175.30 176.16