#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s VAL 6 N 0.00 3.73 0.06 2.12 -7.23 -1.24 -4.49 120.40 113.35 1s1i s VAL 6 Ca 0.00 1.62 -0.12 0.00 -1.81 0.00 0.00 61.98 61.67 1s1i s VAL 6 Cb 0.00 -4.03 0.01 0.00 0.56 0.00 0.00 36.38 32.92 1s1i s VAL 6 CO 0.00 0.34 0.27 -0.69 -0.31 0.00 0.00 175.10 174.71 1s1i s VAL 7 N -0.74 0.10 -0.14 1.32 1.01 -1.18 -4.94 120.40 115.83 1s1i s VAL 7 Ca 0.46 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1s1i s VAL 7 Cb -0.30 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1s1i s VAL 7 CO 0.37 -0.44 -0.09 0.42 0.00 0.00 0.00 175.10 175.36 1s1i s THR 8 N -2.97 3.43 0.04 3.92 -4.23 -1.26 -2.17 115.64 112.41 1s1i s THR 8 Ca -0.02 -0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 1s1i s THR 8 Cb 0.01 -2.47 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1s1i s THR 8 CO -0.06 0.52 0.10 0.00 -0.54 0.00 0.00 174.62 174.63 1s1i s ARG 9 N 0.27 0.60 0.17 3.99 1.70 -1.24 -4.98 118.95 119.45 1s1i s ARG 9 Ca -0.07 -0.78 -0.21 0.00 -0.47 0.00 0.00 55.73 54.20 1s1i s ARG 9 Cb -0.15 0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 34.39 1s1i s ARG 9 CO 0.04 -0.15 0.70 -2.00 -1.08 0.00 0.00 175.30 172.81 1s1i s GLU 10 N -2.72 4.34 -0.11 3.89 2.56 -1.26 -2.74 118.70 122.66 1s1i s GLU 10 Ca -0.04 0.93 -0.15 0.00 0.00 0.00 0.00 54.97 55.71 1s1i s GLU 10 Cb -0.00 -3.10 -0.05 0.00 2.00 0.00 0.00 34.13 32.98 1s1i s GLU 10 CO -0.05 0.52 0.36 0.71 -0.56 0.00 0.00 175.26 176.23 1s1i s TYR 11 N -1.29 3.55 -0.23 5.30 1.51 0.28 -4.98 117.35 121.49 1s1i s TYR 11 Ca 0.37 0.76 -0.09 0.00 -1.01 0.00 0.00 57.07 57.10 1s1i s TYR 11 Cb -0.20 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 1s1i s TYR 11 CO 0.22 0.35 0.11 0.95 -1.11 0.00 0.00 175.55 176.07 1s1i s THR 12 N 0.05 4.91 -0.14 -0.71 -4.23 -1.26 -3.06 115.64 111.19 1s1i s THR 12 Ca 0.20 0.02 0.16 0.00 -1.18 0.00 0.00 61.69 60.90 1s1i s THR 12 Cb -0.14 -3.27 0.43 0.00 1.34 0.00 0.00 72.50 70.85 1s1i s THR 12 CO 0.08 0.37 1.20 2.30 -0.54 0.00 0.00 174.62 178.03 1s1i n ILE 13 N 4.26 1.43 0.08 2.99 -6.64 -1.26 -4.64 119.36 115.58 1s1i n ILE 13 Ca -0.16 -2.52 -0.08 0.00 -1.77 0.00 0.00 62.75 58.22 1s1i n ILE 13 Cb 0.52 0.19 -0.07 0.00 -1.44 0.00 0.00 39.64 38.84 1s1i n ILE 13 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 1s1i h ASN 14 N 1.14 0.11 -0.63 7.28 2.35 -1.93 -3.31 115.58 120.58 1s1i h ASN 14 Ca -0.06 -0.11 -0.40 0.00 -0.55 0.00 0.00 56.30 55.19 1s1i h ASN 14 Cb 1.36 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.64 1s1i h ASN 14 CO 0.09 1.02 1.20 -0.76 -1.65 0.00 0.00 177.43 177.33 1s1i s LEU 15 N -7.00 3.23 0.00 1.61 1.02 -1.26 -2.65 118.68 113.63 1s1i s LEU 15 Ca -0.01 -1.55 0.00 0.00 0.02 0.00 0.00 54.13 52.59 1s1i s LEU 15 Cb 0.10 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.73 1s1i s LEU 15 CO 0.83 -2.60 0.00 0.00 0.02 0.00 0.00 176.35 174.59 1s1i n HIS 16 N 12.99 0.00 -2.40 0.29 1.44 -1.26 -4.98 115.22 121.29 1s1i n HIS 16 Ca 0.44 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.73 1s1i n HIS 16 Cb 0.47 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.55 1s1i n HIS 16 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1s1i s LYS 17 N 0.00 4.42 0.00 -1.40 -2.85 -1.08 0.78 119.74 119.61 1s1i s LYS 17 Ca 0.00 1.79 0.00 0.00 -1.00 0.00 0.00 55.97 56.76 1s1i s LYS 17 Cb 0.00 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 1s1i s LYS 17 CO 0.00 -0.29 0.00 2.89 0.10 0.00 0.00 175.35 178.05 1s1i n ARG 18 N 4.02 0.00 -0.06 1.78 1.85 -1.26 -4.50 116.66 118.49 1s1i n ARG 18 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.79 1s1i n ARG 18 Cb 0.46 -1.87 -0.06 0.00 -1.05 0.00 0.00 32.46 29.95 1s1i n ARG 18 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1s1i h LEU 19 N 0.00 0.82 0.00 2.89 3.38 -1.40 -3.48 115.31 117.52 1s1i h LEU 19 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1s1i h LEU 19 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1s1i h LEU 19 CO 0.00 1.23 0.00 1.41 0.09 0.00 0.00 178.44 181.17 1s1i n HIS 20 N -4.13 0.00 -3.85 1.13 8.25 0.23 -4.86 115.22 111.99 1s1i n HIS 20 Ca -0.06 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1s1i n HIS 20 Cb 0.59 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.70 1s1i n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s1i n GLY 21 N 0.00 -1.71 3.62 -1.41 0.00 -1.25 -4.44 105.19 99.99 1s1i n GLY 21 Ca 0.00 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 1s1i n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s1i s VAL 22 N -0.21 4.31 0.21 1.61 1.01 -1.26 -4.94 120.40 121.14 1s1i s VAL 22 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1s1i s VAL 22 Cb 0.00 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1s1i s VAL 22 CO 0.00 0.54 1.61 -1.28 0.00 0.00 0.00 175.10 175.97 1s1i h SER 23 N 5.97 0.73 -0.22 3.32 0.87 -1.83 -2.32 113.55 120.06 1s1i h SER 23 Ca -0.42 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 59.83 1s1i h SER 23 Cb 1.19 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1s1i h SER 23 CO 0.61 0.98 -0.02 0.33 -0.53 0.00 0.00 176.83 178.20 1s1i n PHE 24 N -4.08 0.76 0.00 2.24 7.35 -1.26 -4.11 117.46 118.37 1s1i n PHE 24 Ca -0.01 -1.02 0.00 0.00 -0.76 0.00 0.00 57.45 55.66 1s1i n PHE 24 Cb 0.47 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 39.99 1s1i n PHE 24 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1s1i n LYS 25 N -0.80 0.00 -0.71 -4.13 4.76 -1.19 -4.94 118.16 111.15 1s1i n LYS 25 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1s1i n LYS 25 Cb 0.86 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.05 1s1i n LYS 25 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1s1i n LYS 26 N -1.12 1.44 0.00 1.97 4.01 -0.88 -4.81 118.16 118.77 1s1i n LYS 26 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1s1i n LYS 26 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1s1i n LYS 26 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1s1i n ARG 27 N -0.75 0.00 -0.02 1.97 5.12 -1.26 -4.27 116.66 117.46 1s1i n ARG 27 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 1s1i n ARG 27 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1s1i n ARG 27 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s1i h ALA 28 N 0.00 0.13 -0.01 7.54 0.00 -1.88 0.13 119.26 125.17 1s1i h ALA 28 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1s1i h ALA 28 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s1i h ALA 28 CO 0.00 -0.26 -0.42 -1.35 0.00 0.00 0.00 179.25 177.22 1s1i h PRO 29 N -0.03 0.02 -0.55 0.00 0.11 -1.92 -2.61 132.00 127.01 1s1i h PRO 29 Ca 0.03 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.02 1s1i h PRO 29 Cb 0.22 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1s1i h PRO 29 CO -0.00 0.43 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.03 1s1i h ARG 30 N 0.01 1.05 -0.60 1.05 9.65 -1.84 -2.63 114.38 121.07 1s1i h ARG 30 Ca -0.00 -0.39 -0.03 0.00 -1.10 0.00 0.00 59.98 58.46 1s1i h ARG 30 Cb 0.75 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 1s1i h ARG 30 CO 0.06 1.08 0.27 0.00 2.80 0.00 0.00 179.97 184.17 1s1i h ALA 31 N 0.94 0.78 -0.57 2.80 0.00 -0.39 -1.39 119.26 121.43 1s1i h ALA 31 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1s1i h ALA 31 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1s1i h ALA 31 CO 0.05 0.37 0.05 -0.24 0.00 0.00 0.00 179.25 179.48 1s1i h VAL 32 N 0.83 1.25 -0.34 0.00 3.04 -1.34 -1.38 116.25 118.30 1s1i h VAL 32 Ca 0.20 -1.02 -0.01 0.00 -1.01 0.00 0.00 66.70 64.87 1s1i h VAL 32 Cb 0.16 0.76 -0.02 0.00 -2.01 0.00 0.00 31.29 30.18 1s1i h VAL 32 CO -0.02 0.37 0.17 0.11 -1.01 0.00 0.00 177.57 177.19 1s1i h LYS 33 N 0.88 0.49 -0.47 4.17 1.79 -0.99 0.16 116.57 122.61 1s1i h LYS 33 Ca 0.17 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1s1i h LYS 33 Cb 0.44 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1s1i h LYS 33 CO 0.02 0.44 0.20 1.49 -1.08 0.00 0.00 179.45 180.52 1s1i h GLU 34 N 0.42 0.68 -0.66 3.15 4.57 -0.91 -1.44 114.58 120.39 1s1i h GLU 34 Ca 0.12 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1s1i h GLU 34 Cb 0.10 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1s1i h GLU 34 CO -0.02 0.60 0.30 -0.84 -1.18 0.00 0.00 179.01 177.88 1s1i h ILE 35 N 0.61 1.23 0.00 2.32 -0.00 -0.92 0.14 117.51 120.89 1s1i h ILE 35 Ca 0.16 -0.65 -0.02 0.00 -0.00 0.00 0.00 64.86 64.34 1s1i h ILE 35 Cb 0.16 0.44 -0.00 0.00 -0.00 0.00 0.00 36.82 37.42 1s1i h ILE 35 CO -0.02 0.27 -0.10 0.07 -0.00 0.00 0.00 178.15 178.37 1s1i h LYS 36 N 0.91 0.00 -0.87 0.16 2.10 -0.05 -1.59 116.57 117.23 1s1i h LYS 36 Ca 0.22 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.28 1s1i h LYS 36 Cb 0.14 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 31.09 1s1i h LYS 36 CO -0.03 0.10 -0.25 0.36 -2.00 0.00 0.00 179.45 177.63 1s1i n LYS 37 N -3.88 3.31 -0.00 0.07 2.85 0.47 -3.96 118.16 117.02 1s1i n LYS 37 Ca -0.02 -3.89 0.00 0.00 -1.05 0.00 0.00 58.31 53.35 1s1i n LYS 37 Cb 0.19 -2.28 -0.01 0.00 -0.65 0.00 0.00 35.03 32.28 1s1i n LYS 37 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1s1i n PHE 38 N -0.77 0.00 -3.15 5.58 3.72 -0.64 -4.70 117.46 117.50 1s1i n PHE 38 Ca 0.50 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.45 1s1i n PHE 38 Cb 0.85 -0.03 -0.04 0.00 -0.94 0.00 0.00 39.48 39.32 1s1i n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s1i s ALA 39 N -2.05 3.57 0.00 4.37 0.00 -0.93 -4.19 121.76 122.53 1s1i s ALA 39 Ca -0.00 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.39 1s1i s ALA 39 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1s1i s ALA 39 CO 0.04 -2.39 0.00 1.63 0.00 0.00 0.00 175.76 175.04 1s1i n LYS 40 N 5.76 0.00 -2.93 0.00 5.02 -1.26 -4.63 118.16 120.12 1s1i n LYS 40 Ca -0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 1s1i n LYS 40 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.46 1s1i n LYS 40 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1s1i n LEU 41 N 0.00 -1.93 0.08 -0.35 7.94 -1.26 -4.53 117.00 116.96 1s1i n LEU 41 Ca 0.00 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.71 1s1i n LEU 41 Cb 0.00 -2.54 0.00 0.00 0.53 0.00 0.00 43.42 41.41 1s1i n LEU 41 CO 0.00 0.08 0.00 1.57 -1.11 0.00 0.00 177.39 177.93 1s1i n HIS 42 N -4.05 -2.04 -0.00 1.96 -0.00 -1.26 -4.77 115.22 105.07 1s1i n HIS 42 Ca -0.11 0.41 -0.07 0.00 0.46 0.00 0.00 57.72 58.42 1s1i n HIS 42 Cb 0.60 1.13 0.12 0.00 -0.12 0.00 0.00 29.99 31.72 1s1i n HIS 42 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1s1i h MET 43 N 0.00 0.55 0.00 1.57 2.86 -1.83 -3.47 114.93 114.61 1s1i h MET 43 Ca 0.00 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1s1i h MET 43 Cb 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1s1i h MET 43 CO 0.00 0.85 0.00 0.41 1.06 0.00 0.00 176.91 179.23 1s1i n GLY 44 N -0.06 1.05 3.75 8.32 0.00 -1.26 -5.01 105.19 111.98 1s1i n GLY 44 Ca -0.01 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1s1i n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s1i s THR 45 N -2.00 4.14 0.16 2.61 -4.23 -1.26 -4.80 115.64 110.26 1s1i s THR 45 Ca 0.00 -1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 1s1i s THR 45 Cb 0.00 -3.14 0.04 0.00 1.34 0.00 0.00 72.50 70.74 1s1i s THR 45 CO 0.00 -0.18 1.64 0.44 -0.54 0.00 0.00 174.62 175.99 1s1i h ASP 46 N 2.29 0.87 -3.96 3.99 3.32 -1.94 -3.36 116.42 117.64 1s1i h ASP 46 Ca -0.47 -0.27 0.28 0.00 0.02 0.00 0.00 57.03 56.59 1s1i h ASP 46 Cb 1.21 -0.23 -0.21 0.00 0.22 0.00 0.00 39.33 40.32 1s1i h ASP 46 CO 0.61 0.91 0.91 1.51 -1.72 0.00 0.00 179.24 181.46 1s1i s ASP 47 N -6.30 -0.07 0.17 6.45 -4.77 -1.26 -5.00 116.67 105.89 1s1i s ASP 47 Ca -0.12 0.02 0.08 0.00 -3.30 0.00 0.00 52.55 49.22 1s1i s ASP 47 Cb 0.12 0.07 -0.04 0.00 -1.09 0.00 0.00 42.92 41.98 1s1i s ASP 47 CO 0.82 -0.11 -0.16 0.54 0.70 0.00 0.00 175.17 176.96 1s1i s VAL 48 N -1.99 1.68 0.06 2.11 0.11 -1.26 -4.76 120.40 116.34 1s1i s VAL 48 Ca 0.10 -2.01 -0.27 0.00 -2.93 0.00 0.00 61.98 56.87 1s1i s VAL 48 Cb -0.01 -1.87 -0.17 0.00 -1.53 0.00 0.00 36.38 32.80 1s1i s VAL 48 CO -0.04 -0.46 1.54 0.03 -3.33 0.00 0.00 175.10 172.84 1s1i h ARG 49 N 3.00 -0.40 -6.28 1.54 2.47 -1.99 -3.47 114.38 109.24 1s1i h ARG 49 Ca -0.40 0.03 -0.47 0.00 -1.26 0.00 0.00 59.98 57.88 1s1i h ARG 49 Cb 1.21 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.59 1s1i h ARG 49 CO 0.56 -0.19 -0.77 1.47 0.56 0.00 0.00 179.97 181.60 1s1i n LEU 50 N -5.22 -2.61 0.00 3.04 -0.00 -1.26 -4.93 117.00 106.03 1s1i n LEU 50 Ca -0.10 -0.78 0.00 0.00 -0.00 0.00 0.00 56.01 55.13 1s1i n LEU 50 Cb 0.22 -2.57 0.00 0.00 -0.00 0.00 0.00 43.42 41.07 1s1i n LEU 50 CO 0.34 0.47 0.00 0.00 -0.00 0.00 0.00 177.39 178.20 1s1i n ALA 51 N -4.65 0.00 -1.55 1.47 0.00 -1.26 -4.48 120.51 110.03 1s1i n ALA 51 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 1s1i n ALA 51 Cb 0.54 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.06 1s1i n ALA 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1s1i s PRO 52 N -2.00 2.64 0.00 0.00 0.02 -1.26 -5.05 135.00 129.35 1s1i s PRO 52 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 61.00 61.89 1s1i s PRO 52 Cb 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1s1i s PRO 52 CO 0.00 -1.29 0.00 -0.85 -0.33 0.00 0.00 177.00 174.53 1s1i n GLU 53 N -3.24 0.00 -2.05 5.54 0.28 -1.26 -4.88 120.64 115.02 1s1i n GLU 53 Ca 0.07 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.66 1s1i n GLU 53 Cb 0.54 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.41 1s1i n GLU 53 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1s1i n LEU 54 N 0.00 7.15 0.00 -1.84 4.77 -1.26 -3.22 117.00 122.60 1s1i n LEU 54 Ca 0.00 -4.56 0.00 0.00 -0.03 0.00 0.00 56.01 51.42 1s1i n LEU 54 Cb 0.00 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 1s1i n LEU 54 CO 0.00 1.51 0.00 -0.46 -1.33 0.00 0.00 177.39 177.11 1s1i n ASN 55 N 3.91 0.00 0.08 -1.43 0.23 -1.26 -4.28 115.26 112.50 1s1i n ASN 55 Ca 0.50 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 54.35 1s1i n ASN 55 Cb 0.33 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.92 1s1i n ASN 55 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1s1i h GLN 56 N 0.00 0.56 -0.52 -3.83 7.50 -1.79 -2.55 115.11 114.47 1s1i h GLN 56 Ca 0.00 -0.71 -0.05 0.00 0.50 0.00 0.00 58.65 58.39 1s1i h GLN 56 Cb 0.00 0.23 -0.02 0.00 0.05 0.00 0.00 27.48 27.74 1s1i h GLN 56 CO 0.00 1.30 0.12 0.00 -1.50 0.00 0.00 178.83 178.75 1s1i h ALA 57 N 0.42 0.69 -0.07 3.87 0.00 -1.82 0.30 119.26 122.66 1s1i h ALA 57 Ca -0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1s1i h ALA 57 Cb 1.83 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1s1i h ALA 57 CO 0.22 0.40 -0.01 0.97 0.00 0.00 0.00 179.25 180.83 1s1i h ILE 58 N 0.74 1.27 -3.28 0.00 6.09 -1.74 -3.30 117.51 117.29 1s1i h ILE 58 Ca 0.16 -0.84 -0.68 0.00 -1.37 0.00 0.00 64.86 62.13 1s1i h ILE 58 Cb 0.35 1.70 -0.37 0.00 0.47 0.00 0.00 36.82 38.97 1s1i h ILE 58 CO 0.00 0.23 -0.26 0.26 -3.07 0.00 0.00 178.15 175.32 1s1i s TRP 59 N -4.86 3.76 -0.52 2.19 0.52 -0.87 -4.50 118.94 114.65 1s1i s TRP 59 Ca -0.15 -3.09 0.07 0.00 0.02 0.00 0.00 56.10 52.95 1s1i s TRP 59 Cb 0.04 -3.09 0.28 0.00 -1.15 0.00 0.00 33.47 29.56 1s1i s TRP 59 CO 0.69 -0.69 0.73 1.17 0.02 0.00 0.00 176.95 178.87 1s1i n LYS 60 N 2.35 1.97 -3.63 4.98 3.00 0.99 -4.56 118.16 123.25 1s1i n LYS 60 Ca 0.19 -4.14 0.00 0.00 -0.00 0.00 0.00 58.31 54.36 1s1i n LYS 60 Cb 0.36 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1s1i n LYS 60 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1s1i n ARG 61 N 0.68 -0.46 -1.96 1.64 0.00 -1.26 -5.02 116.66 110.28 1s1i n ARG 61 Ca 0.27 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.83 1s1i n ARG 61 Cb 0.47 0.00 0.13 0.00 0.00 0.00 0.00 32.46 33.07 1s1i n ARG 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1s1i s GLY 62 N 0.00 1.69 0.10 5.14 0.00 -1.26 -4.93 107.32 108.06 1s1i s GLY 62 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 1s1i s GLY 62 CO 0.00 -0.35 1.70 -2.08 0.00 0.00 0.00 173.10 172.37 1s1i h VAL 63 N -1.28 1.09 0.48 1.40 2.07 -1.94 -3.13 116.25 114.93 1s1i h VAL 63 Ca -0.45 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1s1i h VAL 63 Cb 1.28 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1s1i h VAL 63 CO 0.51 0.08 -0.30 0.50 0.02 0.00 0.00 177.57 178.38 1s1i h LYS 64 N 0.13 -0.72 -6.89 1.57 3.64 -1.80 -3.28 116.57 109.22 1s1i h LYS 64 Ca 0.05 0.05 -0.52 0.00 -1.27 0.00 0.00 60.65 58.95 1s1i h LYS 64 Cb 0.06 0.16 0.07 0.00 -0.41 0.00 0.00 32.23 32.11 1s1i h LYS 64 CO -0.01 -0.48 0.64 0.20 -2.27 0.00 0.00 179.45 177.54 1s1i s GLY 65 N -2.16 2.99 0.05 5.01 0.00 -1.18 -4.88 107.32 107.16 1s1i s GLY 65 Ca -0.17 1.28 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1s1i s GLY 65 CO 0.63 1.92 -0.04 0.14 0.00 0.00 0.00 173.10 175.75 1s1i s VAL 66 N -1.15 0.35 -0.14 1.40 1.01 -1.26 -4.33 120.40 116.28 1s1i s VAL 66 Ca 0.50 -1.56 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 1s1i s VAL 66 Cb -0.40 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1s1i s VAL 66 CO 0.53 -0.79 0.13 -0.70 0.00 0.00 0.00 175.10 174.28 1s1i s GLU 67 N -3.09 3.64 0.17 2.72 2.12 -1.26 -5.07 118.70 117.93 1s1i s GLU 67 Ca 0.01 -0.17 -0.16 0.00 0.36 0.00 0.00 54.97 55.01 1s1i s GLU 67 Cb 0.01 -3.24 -0.07 0.00 0.26 0.00 0.00 34.13 31.09 1s1i s GLU 67 CO -0.06 0.64 0.61 -0.47 -0.54 0.00 0.00 175.26 175.44 1s1i s TYR 68 N -0.62 3.63 -0.40 5.30 5.04 -1.26 -4.70 117.35 124.34 1s1i s TYR 68 Ca 0.13 1.17 -0.13 0.00 -2.44 0.00 0.00 57.07 55.80 1s1i s TYR 68 Cb -0.12 -2.45 0.02 0.00 0.35 0.00 0.00 41.96 39.75 1s1i s TYR 68 CO 0.02 0.40 0.45 -2.13 -1.34 0.00 0.00 175.55 172.95 1s1i n ARG 69 N 0.81 -2.63 -3.90 4.97 0.63 -1.25 -4.98 116.66 110.31 1s1i n ARG 69 Ca -0.04 2.25 -0.35 0.00 -0.92 0.00 0.00 57.85 58.79 1s1i n ARG 69 Cb 0.52 -5.41 -0.08 0.00 0.45 0.00 0.00 32.46 27.93 1s1i n ARG 69 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1s1i s LEU 70 N -2.34 4.07 0.52 6.15 1.02 -1.17 -4.89 118.68 122.03 1s1i s LEU 70 Ca 0.19 0.22 -0.09 0.00 0.02 0.00 0.00 54.13 54.47 1s1i s LEU 70 Cb -0.05 -2.02 -0.05 0.00 0.02 0.00 0.00 46.19 44.09 1s1i s LEU 70 CO 0.77 0.24 0.89 -0.60 0.02 0.00 0.00 176.35 177.67 1s1i s ARG 71 N -0.02 3.63 0.34 1.70 3.00 -1.26 -0.55 118.95 125.78 1s1i s ARG 71 Ca 0.08 0.50 -0.02 0.00 -1.00 0.00 0.00 55.73 55.28 1s1i s ARG 71 Cb -0.12 -2.25 0.00 0.00 0.00 0.00 0.00 34.95 32.58 1s1i s ARG 71 CO 0.00 -0.32 0.47 -0.48 0.00 0.00 0.00 175.30 174.97 1s1i s LEU 72 N -4.71 1.01 0.19 -0.88 2.34 -1.11 -4.88 118.68 110.65 1s1i s LEU 72 Ca 0.52 -1.48 0.07 0.00 0.06 0.00 0.00 54.13 53.30 1s1i s LEU 72 Cb -0.11 1.44 -0.04 0.00 -0.56 0.00 0.00 46.19 46.93 1s1i s LEU 72 CO 0.45 -1.28 0.04 -0.13 -1.06 0.00 0.00 176.35 174.37 1s1i s ARG 73 N -3.10 2.53 -0.01 1.48 1.81 -1.26 -3.72 118.95 116.68 1s1i s ARG 73 Ca 0.31 -1.11 -0.03 0.00 -1.72 0.00 0.00 55.73 53.17 1s1i s ARG 73 Cb -0.00 -2.40 -0.00 0.00 -0.45 0.00 0.00 34.95 32.10 1s1i s ARG 73 CO 0.20 0.44 0.07 -1.50 -0.68 0.00 0.00 175.30 173.83 1s1i s ILE 74 N -1.87 0.05 -0.03 1.52 1.10 -0.92 -4.95 121.20 116.11 1s1i s ILE 74 Ca 0.29 -0.45 -0.05 0.00 -0.51 0.00 0.00 60.65 59.93 1s1i s ILE 74 Cb -0.09 -0.25 0.01 0.00 0.15 0.00 0.00 42.46 42.28 1s1i s ILE 74 CO 0.20 -0.25 0.11 -0.55 -2.11 0.00 0.00 174.94 172.35 1s1i s SER 75 N -0.78 -0.05 0.04 4.50 0.15 -1.26 -3.11 113.70 113.18 1s1i s SER 75 Ca -0.09 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.58 1s1i s SER 75 Cb -0.05 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1s1i s SER 75 CO 0.00 -0.16 0.04 -0.60 1.20 0.00 0.00 173.24 173.72 1s1i s ARG 76 N -0.49 0.53 0.10 5.44 3.52 -1.26 -5.00 118.95 121.79 1s1i s ARG 76 Ca -0.06 -0.83 0.03 0.00 -0.13 0.00 0.00 55.73 54.74 1s1i s ARG 76 Cb -0.04 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 1s1i s ARG 76 CO 0.00 -0.12 -0.08 -1.59 -0.81 0.00 0.00 175.30 172.71 1s1i s LYS 77 N -2.65 0.87 -0.50 5.12 0.00 -1.26 -4.78 119.74 116.54 1s1i s LYS 77 Ca -0.05 -1.29 -0.18 0.00 0.00 0.00 0.00 55.97 54.45 1s1i s LYS 77 Cb -0.01 -0.36 0.07 0.00 0.00 0.00 0.00 37.83 37.53 1s1i s LYS 77 CO -0.05 0.02 0.54 0.50 0.00 0.00 0.00 175.35 176.36 1s1i s ARG 78 N -3.49 3.06 0.00 1.78 3.00 -1.26 -4.16 118.95 117.88 1s1i s ARG 78 Ca 0.10 -1.10 0.00 0.00 -1.00 0.00 0.00 55.73 53.73 1s1i s ARG 78 Cb 0.02 -4.12 0.00 0.00 0.00 0.00 0.00 34.95 30.85 1s1i s ARG 78 CO -0.02 -1.16 0.00 0.09 0.00 0.00 0.00 175.30 174.20 1s1i n ASN 79 N 5.78 1.79 -4.77 -2.12 3.02 -1.26 -5.07 115.26 112.63 1s1i n ASN 79 Ca -0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.06 1s1i n ASN 79 Cb 0.44 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1s1i n ASN 79 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1s1i s GLU 80 N 4.86 3.91 0.26 3.52 2.56 -1.26 -4.81 118.70 127.74 1s1i s GLU 80 Ca 0.00 2.35 -0.31 0.00 0.00 0.00 0.00 54.97 57.01 1s1i s GLU 80 Cb 0.00 -2.78 -0.12 0.00 2.00 0.00 0.00 34.13 33.23 1s1i s GLU 80 CO 0.00 -0.61 1.61 -0.85 -0.56 0.00 0.00 175.26 174.84 1s1i n GLU 81 N 0.11 2.63 0.00 4.30 0.00 -1.26 -4.88 120.64 121.53 1s1i n GLU 81 Ca 0.03 0.94 0.06 0.00 0.00 0.00 0.00 57.16 58.19 1s1i n GLU 81 Cb 0.42 -2.72 0.05 0.00 0.00 0.00 0.00 31.44 29.19 1s1i n GLU 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28