#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6i n GLU 2 N 0.00 2.37 -3.87 0.00 1.02 -1.26 -5.12 120.64 113.78 1s6i n GLU 2 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1s6i n GLU 2 Cb 0.00 -0.87 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 1s6i n GLU 2 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1s6i s ARG 3 N -1.75 1.67 -0.27 3.49 3.03 -1.26 -5.15 118.95 118.72 1s6i s ARG 3 Ca 0.00 -1.04 -0.01 0.00 2.03 0.00 0.00 55.73 56.72 1s6i s ARG 3 Cb 0.00 0.56 0.04 0.00 -1.03 0.00 0.00 34.95 34.52 1s6i s ARG 3 CO 0.00 -0.74 -0.05 -0.51 -1.13 0.00 0.00 175.30 172.87 1s6i s LEU 4 N -2.94 3.47 0.24 -1.89 1.02 -1.26 -4.96 118.68 112.36 1s6i s LEU 4 Ca 0.14 -1.10 0.26 0.00 0.02 0.00 0.00 54.13 53.45 1s6i s LEU 4 Cb -0.04 -1.66 0.83 0.00 0.02 0.00 0.00 46.19 45.34 1s6i s LEU 4 CO 0.06 -0.18 1.76 -1.28 0.02 0.00 0.00 176.35 176.73 1s6i h SER 5 N 7.97 0.00 -0.12 2.29 0.87 -2.07 -3.12 113.55 119.37 1s6i h SER 5 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1s6i h SER 5 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1s6i h SER 5 CO 0.54 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 176.22 1s6i n GLU 6 N -2.32 1.70 0.25 2.24 1.02 -1.26 -3.97 120.64 118.30 1s6i n GLU 6 Ca 0.05 -0.61 0.13 0.00 -0.02 0.00 0.00 57.16 56.70 1s6i n GLU 6 Cb 0.39 -1.54 0.65 0.00 -0.02 0.00 0.00 31.44 30.92 1s6i n GLU 6 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1s6i h GLU 7 N 0.82 0.00 0.00 3.49 4.11 -1.91 -2.44 114.58 118.65 1s6i h GLU 7 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1s6i h GLU 7 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1s6i h GLU 7 CO 0.08 0.14 -0.26 1.49 0.07 0.00 0.00 179.01 180.53 1s6i h GLU 8 N 0.00 0.00 0.00 1.06 4.81 -1.88 -1.85 114.58 116.72 1s6i h GLU 8 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s6i h GLU 8 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1s6i h GLU 8 CO 0.02 0.26 -0.01 0.82 -0.73 0.00 0.00 179.01 179.37 1s6i h ILE 9 N 0.00 0.02 -3.19 2.32 2.04 -1.75 -3.42 117.51 113.52 1s6i h ILE 9 Ca -0.00 -0.50 -0.65 0.00 1.00 0.00 0.00 64.86 64.71 1s6i h ILE 9 Cb 0.49 1.49 -0.15 0.00 -0.74 0.00 0.00 36.82 37.91 1s6i h ILE 9 CO 0.03 0.01 -0.58 -0.83 0.00 0.00 0.00 178.15 176.78 1s6i s GLY 10 N -4.18 1.91 0.00 5.37 0.00 -0.70 -4.51 107.32 105.22 1s6i s GLY 10 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1s6i s GLY 10 CO 0.54 -0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1s6i n GLY 11 N 2.74 3.05 0.15 0.20 0.00 -1.26 -4.90 105.19 105.17 1s6i n GLY 11 Ca -0.18 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.70 1s6i n GLY 11 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s6i h LEU 12 N 0.00 0.00 -2.40 0.99 5.85 -1.82 -2.27 115.31 115.67 1s6i h LEU 12 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1s6i h LEU 12 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1s6i h LEU 12 CO 0.00 0.54 0.09 0.07 -0.34 0.00 0.00 178.44 178.79 1s6i h LYS 13 N 0.00 0.00 0.00 1.25 2.10 -1.90 0.49 116.57 118.50 1s6i h LYS 13 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1s6i h LYS 13 Cb 1.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1s6i h LYS 13 CO 0.07 0.00 -0.05 0.93 -2.00 0.00 0.00 179.45 178.40 1s6i h GLU 14 N 0.00 0.00 -1.27 0.07 3.07 -1.84 -3.27 114.58 111.34 1s6i h GLU 14 Ca 0.03 0.00 0.37 0.00 -0.50 0.00 0.00 59.36 59.26 1s6i h GLU 14 Cb 0.21 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.06 1s6i h GLU 14 CO -0.00 0.77 0.91 1.25 -1.40 0.00 0.00 179.01 180.55 1s6i h LEU 15 N -1.00 0.01 0.14 1.33 5.85 -0.70 1.24 115.31 122.18 1s6i h LEU 15 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1s6i h LEU 15 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1s6i h LEU 15 CO -0.01 0.00 -0.07 0.15 -0.34 0.00 0.00 178.44 178.18 1s6i h PHE 16 N 0.01 -0.17 0.00 1.25 3.57 -1.04 -2.46 116.94 118.09 1s6i h PHE 16 Ca 0.61 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1s6i h PHE 16 Cb 2.42 0.06 0.00 0.00 2.79 0.00 0.00 35.95 41.22 1s6i h PHE 16 CO -0.00 0.16 0.00 0.36 -2.23 0.00 0.00 178.31 176.59 1s6i n LYS 17 N -5.02 0.15 0.24 1.11 -0.00 0.88 -1.73 118.16 113.79 1s6i n LYS 17 Ca -0.09 0.23 0.12 0.00 -0.00 0.00 0.00 58.31 58.58 1s6i n LYS 17 Cb 0.22 -1.72 0.53 0.00 -0.00 0.00 0.00 35.03 34.06 1s6i n LYS 17 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1s6i h MET 18 N 0.00 0.00 0.11 -1.58 2.86 0.17 -3.18 114.93 113.32 1s6i h MET 18 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1s6i h MET 18 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1s6i h MET 18 CO 0.00 0.14 -0.05 0.82 1.06 0.00 0.00 176.91 178.88 1s6i h ILE 19 N 0.00 0.00 -0.03 -1.22 1.08 -0.89 -3.37 117.51 113.07 1s6i h ILE 19 Ca -0.00 -0.76 -0.70 0.00 -0.39 0.00 0.00 64.86 63.01 1s6i h ILE 19 Cb 0.66 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1s6i h ILE 19 CO 0.02 0.00 3.35 -0.90 -0.69 0.00 0.00 178.15 179.92 1s6i n ASP 20 N -4.52 5.46 -0.05 1.72 5.68 -1.20 -3.80 116.55 119.85 1s6i n ASP 20 Ca -0.02 -2.76 0.14 0.00 -0.50 0.00 0.00 54.79 51.65 1s6i n ASP 20 Cb 0.06 -1.62 0.63 0.00 -1.14 0.00 0.00 41.12 39.05 1s6i n ASP 20 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1s6i n THR 21 N 4.57 0.00 0.00 2.12 5.66 -1.23 -3.99 114.28 121.41 1s6i n THR 21 Ca 0.60 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.58 1s6i n THR 21 Cb 0.34 -0.27 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1s6i n THR 21 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1s6i n ASP 22 N -1.20 2.06 0.00 1.09 5.75 -1.26 -4.98 116.55 118.01 1s6i n ASP 22 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1s6i n ASP 22 Cb 0.28 0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1s6i n ASP 22 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1s6i n ASN 23 N -0.98 0.00 0.00 -1.12 5.15 -1.26 -4.98 115.26 112.07 1s6i n ASN 23 Ca 0.00 0.19 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1s6i n ASN 23 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s6i n SER 24 N -0.38 0.00 0.00 1.20 3.41 -1.26 -4.98 113.62 111.61 1s6i n SER 24 Ca 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1s6i n SER 24 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s6i n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 25 N 0.00 1.87 3.07 5.00 0.00 -1.26 -5.12 105.19 108.76 1s6i n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1s6i n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6i s THR 26 N -2.00 0.08 -0.47 2.61 -4.23 -1.26 -4.70 115.64 105.67 1s6i s THR 26 Ca 0.00 -0.68 -0.12 0.00 -1.18 0.00 0.00 61.69 59.70 1s6i s THR 26 Cb 0.00 -0.38 0.10 0.00 1.34 0.00 0.00 72.50 73.56 1s6i s THR 26 CO 0.00 -0.38 0.36 -0.63 -0.54 0.00 0.00 174.62 173.44 1s6i s ILE 27 N -1.29 4.71 0.29 2.99 1.01 0.82 -4.49 121.20 125.24 1s6i s ILE 27 Ca -0.14 -1.40 0.07 0.00 0.00 0.00 0.00 60.65 59.18 1s6i s ILE 27 Cb -0.08 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1s6i s ILE 27 CO 0.01 -0.65 0.29 0.42 0.00 0.00 0.00 174.94 175.01 1s6i s THR 28 N 1.51 4.25 0.41 2.92 -4.23 -1.26 0.18 115.64 119.42 1s6i s THR 28 Ca 0.04 -1.27 0.28 0.00 -1.18 0.00 0.00 61.69 59.56 1s6i s THR 28 Cb -0.25 -3.41 0.41 0.00 1.34 0.00 0.00 72.50 70.59 1s6i s THR 28 CO 0.03 -0.27 1.02 0.33 -0.54 0.00 0.00 174.62 175.19 1s6i n PHE 29 N -1.34 0.00 0.02 3.99 7.35 -1.03 0.14 117.46 126.59 1s6i n PHE 29 Ca -0.05 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.44 1s6i n PHE 29 Cb 0.58 -0.28 -0.14 0.00 0.35 0.00 0.00 39.48 40.00 1s6i n PHE 29 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1s6i h ASP 30 N 0.00 0.37 1.28 -2.13 3.32 -1.92 -3.33 116.42 114.00 1s6i h ASP 30 Ca 0.52 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1s6i h ASP 30 Cb 2.41 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.84 1s6i h ASP 30 CO -0.01 1.44 -0.24 -0.33 -1.72 0.00 0.00 179.24 178.38 1s6i h GLU 31 N -0.44 0.00 -0.34 3.56 3.07 0.91 -2.77 114.58 118.56 1s6i h GLU 31 Ca -0.19 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1s6i h GLU 31 Cb 1.60 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.45 1s6i h GLU 31 CO 0.09 0.00 -0.09 1.25 -1.40 0.00 0.00 179.01 178.85 1s6i h LEU 32 N 0.00 -0.34 0.09 1.33 7.12 0.48 -1.66 115.31 122.32 1s6i h LEU 32 Ca 0.00 0.11 -0.17 0.00 0.13 0.00 0.00 57.88 57.94 1s6i h LEU 32 Cb 0.76 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 1s6i h LEU 32 CO 0.00 -0.12 -0.83 0.07 -0.13 0.00 0.00 178.44 177.43 1s6i h LYS 33 N -0.01 0.18 -0.36 1.25 2.10 -1.72 -3.38 116.57 114.64 1s6i h LYS 33 Ca 0.16 -0.31 0.04 0.00 -2.00 0.00 0.00 60.65 58.53 1s6i h LYS 33 Cb 0.26 0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 31.66 1s6i h LYS 33 CO -0.36 1.15 -0.29 0.22 -2.00 0.00 0.00 179.45 178.17 1s6i h ASP 34 N -0.56 -1.03 -1.14 7.07 3.58 -1.31 0.50 116.42 123.53 1s6i h ASP 34 Ca -0.17 0.15 0.33 0.00 0.42 0.00 0.00 57.03 57.75 1s6i h ASP 34 Cb 1.49 0.44 -0.05 0.00 1.72 0.00 0.00 39.33 42.94 1s6i h ASP 34 CO 0.06 -0.16 0.93 1.23 -2.88 0.00 0.00 179.24 178.41 1s6i h GLY 35 N -0.10 0.00 0.00 -0.78 0.00 -1.40 0.53 103.07 101.32 1s6i h GLY 35 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1s6i h GLY 35 CO -0.39 0.00 -0.53 -0.10 0.00 0.00 0.00 176.54 175.52 1s6i n LEU 36 N -3.89 1.81 0.00 3.11 -0.00 0.52 -4.12 117.00 114.43 1s6i n LEU 36 Ca 0.25 0.63 0.00 0.00 -0.00 0.00 0.00 56.01 56.89 1s6i n LEU 36 Cb 1.30 -0.88 0.01 0.00 -0.00 0.00 0.00 43.42 43.85 1s6i n LEU 36 CO 0.36 -0.45 0.50 2.29 -0.00 0.00 0.00 177.39 180.08 1s6i n LYS 37 N -4.61 0.00 0.02 1.96 2.85 0.15 -1.61 118.16 116.92 1s6i n LYS 37 Ca -0.08 0.47 -0.04 0.00 -1.05 0.00 0.00 58.31 57.60 1s6i n LYS 37 Cb 0.28 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.33 1s6i n LYS 37 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1s6i h ARG 38 N 0.00 0.47 -0.00 -1.58 1.12 -0.09 -2.54 114.38 111.76 1s6i h ARG 38 Ca 0.00 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 1s6i h ARG 38 Cb 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 1s6i h ARG 38 CO 0.00 0.74 -0.04 1.33 -3.11 0.00 0.00 179.97 178.90 1s6i n VAL 39 N -4.07 0.00 0.00 0.20 0.24 -0.63 -4.87 118.33 109.20 1s6i n VAL 39 Ca -0.01 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1s6i n VAL 39 Cb 0.45 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1s6i n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s6i n GLY 40 N 1.44 1.48 3.55 7.63 0.00 -0.96 -5.13 105.19 113.21 1s6i n GLY 40 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1s6i n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s6i s SER 41 N -1.03 1.56 -0.21 1.61 0.01 -1.25 -4.96 113.70 109.44 1s6i s SER 41 Ca 0.00 1.49 -0.04 0.00 1.31 0.00 0.00 55.95 58.71 1s6i s SER 41 Cb 0.00 -2.22 0.10 0.00 0.21 0.00 0.00 66.02 64.12 1s6i s SER 41 CO 0.00 -3.84 0.28 -1.83 0.41 0.00 0.00 173.24 168.27 1s6i s GLU 42 N -4.61 0.24 0.35 12.44 -1.05 -1.26 -4.10 118.70 120.72 1s6i s GLU 42 Ca 0.67 0.38 0.09 0.00 -0.15 0.00 0.00 54.97 55.97 1s6i s GLU 42 Cb -0.23 -0.82 -0.07 0.00 -0.44 0.00 0.00 34.13 32.57 1s6i s GLU 42 CO 0.62 -0.61 -0.07 -0.51 0.95 0.00 0.00 175.26 175.64 1s6i s LEU 43 N 2.42 2.73 0.30 1.83 1.43 -1.26 -5.08 118.68 121.05 1s6i s LEU 43 Ca 0.08 -1.23 0.09 0.00 -1.03 0.00 0.00 54.13 52.05 1s6i s LEU 43 Cb -0.15 -0.95 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 1s6i s LEU 43 CO -0.13 -0.26 0.01 0.00 0.23 0.00 0.00 176.35 176.20 1s6i s MET 44 N -3.64 2.20 0.06 1.70 0.23 -1.26 -5.00 119.30 113.59 1s6i s MET 44 Ca 0.33 -1.57 -0.15 0.00 -1.03 0.00 0.00 55.69 53.27 1s6i s MET 44 Cb 0.04 -2.07 -0.06 0.00 -1.53 0.00 0.00 34.83 31.22 1s6i s MET 44 CO 0.16 0.24 1.25 0.93 -2.03 0.00 0.00 175.02 175.58 1s6i h GLU 45 N 1.82 -0.23 0.00 3.16 5.08 -1.99 0.52 114.58 122.94 1s6i h GLU 45 Ca -0.43 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1s6i h GLU 45 Cb 1.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1s6i h GLU 45 CO 0.63 -0.15 0.86 0.66 -1.00 0.00 0.00 179.01 180.00 1s6i h SER 46 N -0.24 0.00 0.03 1.42 4.64 -1.97 0.92 113.55 118.35 1s6i h SER 46 Ca 0.02 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.08 1s6i h SER 46 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 1s6i h SER 46 CO -0.23 0.00 -1.42 -0.33 -0.87 0.00 0.00 176.83 173.98 1s6i h GLU 47 N 0.00 0.07 0.36 4.77 5.08 -1.34 -3.02 114.58 120.51 1s6i h GLU 47 Ca 0.00 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1s6i h GLU 47 Cb 1.71 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.98 1s6i h GLU 47 CO 0.00 1.06 -0.51 0.82 -1.00 0.00 0.00 179.01 179.37 1s6i h ILE 48 N -0.74 0.01 -0.36 3.13 5.03 0.17 0.11 117.51 124.87 1s6i h ILE 48 Ca -0.36 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.48 1s6i h ILE 48 Cb 1.48 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 1s6i h ILE 48 CO -0.13 0.00 0.32 0.50 -0.68 0.00 0.00 178.15 178.16 1s6i h LYS 49 N -0.91 0.00 -0.19 2.37 3.64 -1.22 0.08 116.57 120.34 1s6i h LYS 49 Ca -0.04 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1s6i h LYS 49 Cb 0.83 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1s6i h LYS 49 CO -0.15 0.00 -0.20 0.22 -2.27 0.00 0.00 179.45 177.06 1s6i h ASP 50 N 0.00 0.50 0.76 4.20 1.82 -0.75 -2.46 116.42 120.49 1s6i h ASP 50 Ca 0.17 -0.48 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 1s6i h ASP 50 Cb 0.81 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.68 1s6i h ASP 50 CO -0.00 0.88 -0.07 0.25 -1.61 0.00 0.00 179.24 178.69 1s6i h LEU 51 N 0.13 0.00 -0.15 2.28 6.46 0.97 0.16 115.31 125.15 1s6i h LEU 51 Ca 0.03 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.67 1s6i h LEU 51 Cb 0.74 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 1s6i h LEU 51 CO 0.05 0.07 -0.37 0.24 -0.62 0.00 0.00 178.44 177.81 1s6i h MET 52 N 0.00 0.52 0.00 1.25 2.86 -1.00 0.38 114.93 118.94 1s6i h MET 52 Ca -0.00 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1s6i h MET 52 Cb 0.47 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1s6i h MET 52 CO 0.01 0.97 -0.64 0.22 1.06 0.00 0.00 176.91 178.53 1s6i h ASP 53 N 0.14 0.00 0.08 1.22 1.82 -1.16 -2.73 116.42 115.80 1s6i h ASP 53 Ca -0.00 -0.07 -0.35 0.00 -0.39 0.00 0.00 57.03 56.22 1s6i h ASP 53 Cb 0.98 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.96 1s6i h ASP 53 CO 0.08 0.03 -1.93 0.00 -1.61 0.00 0.00 179.24 175.82 1s6i n ALA 54 N -2.03 0.93 -0.06 -0.78 0.00 0.52 -4.77 120.51 114.32 1s6i n ALA 54 Ca 0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 1s6i n ALA 54 Cb 0.50 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 1s6i n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 55 N -3.16 1.87 -1.52 0.00 0.00 0.13 -4.93 120.51 112.90 1s6i n ALA 55 Ca -0.34 -0.52 -0.32 0.00 0.00 0.00 0.00 53.44 52.26 1s6i n ALA 55 Cb 0.96 0.26 -0.11 0.00 0.00 0.00 0.00 19.45 20.56 1s6i n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s6i n ASP 56 N -3.08 0.90 0.25 0.00 -0.08 -0.65 -4.50 116.55 109.39 1s6i n ASP 56 Ca -0.23 -0.40 0.13 0.00 -1.51 0.00 0.00 54.79 52.78 1s6i n ASP 56 Cb 0.71 -1.18 0.68 0.00 2.34 0.00 0.00 41.12 43.67 1s6i n ASP 56 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1s6i h ILE 57 N 7.71 0.00 -0.85 5.18 1.08 -1.84 -1.05 117.51 127.74 1s6i h ILE 57 Ca -0.09 0.00 -0.40 0.00 -0.39 0.00 0.00 64.86 63.98 1s6i h ILE 57 Cb 1.23 0.56 -0.41 0.00 -3.07 0.00 0.00 36.82 35.12 1s6i h ILE 57 CO 1.30 0.00 -1.01 -0.67 -0.69 0.00 0.00 178.15 177.08 1s6i n ASP 58 N -2.54 2.80 -2.41 1.72 2.03 -1.26 -5.05 116.55 111.84 1s6i n ASP 58 Ca -0.02 -2.88 -0.10 0.00 0.52 0.00 0.00 54.79 52.32 1s6i n ASP 58 Cb 0.27 -0.46 -0.10 0.00 -0.72 0.00 0.00 41.12 40.11 1s6i n ASP 58 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s6i n LYS 59 N -0.45 0.00 -0.23 -0.67 3.00 -0.40 -4.58 118.16 114.83 1s6i n LYS 59 Ca 0.21 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.57 1s6i n LYS 59 Cb 0.82 -0.55 0.07 0.00 0.00 0.00 0.00 35.03 35.37 1s6i n LYS 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s6i n SER 60 N 2.90 1.31 -0.50 3.14 3.41 -1.26 -4.94 113.62 117.68 1s6i n SER 60 Ca 0.30 -2.50 -0.06 0.00 -0.26 0.00 0.00 58.87 56.34 1s6i n SER 60 Cb 0.12 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1s6i n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 61 N -0.76 0.85 3.27 5.00 0.00 -1.26 -4.97 105.19 107.32 1s6i n GLY 61 Ca 0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1s6i n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6i s THR 62 N -2.12 -0.14 -0.15 2.61 2.01 -1.23 -2.46 115.64 114.16 1s6i s THR 62 Ca 0.00 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 1s6i s THR 62 Cb 0.00 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1s6i s THR 62 CO 0.00 0.04 0.04 -0.63 -0.69 0.00 0.00 174.62 173.38 1s6i s ILE 63 N 1.64 4.59 0.38 1.82 1.01 0.47 -4.80 121.20 126.30 1s6i s ILE 63 Ca -0.08 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.53 1s6i s ILE 63 Cb -0.09 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1s6i s ILE 63 CO -0.13 0.52 0.37 -1.81 0.00 0.00 0.00 174.94 173.89 1s6i s ASP 64 N -0.08 5.26 0.24 3.58 1.01 -1.26 -0.13 116.67 125.29 1s6i s ASP 64 Ca 0.05 -0.58 0.01 0.00 0.71 0.00 0.00 52.55 52.74 1s6i s ASP 64 Cb -0.12 -0.78 0.58 0.00 1.01 0.00 0.00 42.92 43.61 1s6i s ASP 64 CO 0.01 -0.53 1.24 0.00 0.21 0.00 0.00 175.17 176.10 1s6i n TYR 65 N -1.51 0.48 0.05 4.23 9.36 -1.26 0.31 117.16 128.82 1s6i n TYR 65 Ca 0.02 0.96 -0.11 0.00 3.32 0.00 0.00 57.90 62.08 1s6i n TYR 65 Cb 0.60 -1.08 -0.08 0.00 -0.63 0.00 0.00 39.34 38.15 1s6i n TYR 65 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1s6i h GLY 66 N 0.00 -0.22 1.05 2.98 0.00 -2.00 -3.01 103.07 101.87 1s6i h GLY 66 Ca 0.47 0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.96 1s6i h GLY 66 CO -0.75 -0.08 0.40 0.83 0.00 0.00 0.00 176.54 176.94 1s6i h GLU 67 N -0.83 0.00 0.60 4.80 5.08 -1.11 -1.54 114.58 121.57 1s6i h GLU 67 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1s6i h GLU 67 Cb 0.53 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 1s6i h GLU 67 CO 0.04 0.00 -0.29 0.35 -1.00 0.00 0.00 179.01 178.11 1s6i h PHE 68 N 0.00 -0.74 -0.57 4.33 3.57 -0.08 -1.13 116.94 122.32 1s6i h PHE 68 Ca 0.13 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1s6i h PHE 68 Cb 0.92 0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.81 1s6i h PHE 68 CO 0.00 -0.46 -0.08 0.82 -2.23 0.00 0.00 178.31 176.36 1s6i h ILE 69 N -1.17 0.47 -0.30 1.41 1.08 -1.16 0.09 117.51 117.93 1s6i h ILE 69 Ca -0.08 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1s6i h ILE 69 Cb 0.61 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 1s6i h ILE 69 CO 0.13 0.01 0.18 0.00 -0.69 0.00 0.00 178.15 177.78 1s6i h ALA 70 N 1.55 0.37 -1.16 1.87 0.00 -1.51 -1.97 119.26 118.41 1s6i h ALA 70 Ca 0.29 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.53 1s6i h ALA 70 Cb 0.45 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1s6i h ALA 70 CO -0.55 -0.19 1.02 0.00 0.00 0.00 0.00 179.25 179.53 1s6i h ALA 71 N 1.13 3.05 0.00 0.00 0.00 0.36 0.82 119.26 124.62 1s6i h ALA 71 Ca 0.12 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 1s6i h ALA 71 Cb -0.01 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1s6i h ALA 71 CO -0.05 -1.62 -1.31 0.25 0.00 0.00 0.00 179.25 176.53 1s6i n THR 72 N -3.73 1.52 0.22 0.00 -2.24 -0.78 -3.58 114.28 105.68 1s6i n THR 72 Ca 0.25 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1s6i n THR 72 Cb 1.39 -2.07 0.61 0.00 -2.10 0.00 0.00 70.33 68.16 1s6i n THR 72 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1s6i h VAL 73 N -1.00 0.00 0.02 2.28 3.04 -0.67 -1.51 116.25 118.40 1s6i h VAL 73 Ca -0.35 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1s6i h VAL 73 Cb 1.25 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1s6i h VAL 73 CO -0.21 0.00 -0.01 -0.74 -1.01 0.00 0.00 177.57 175.60 1s6i h HIS 74 N 0.00 -0.02 0.00 3.17 6.17 0.46 -2.88 115.15 122.05 1s6i h HIS 74 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1s6i h HIS 74 Cb 0.08 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.01 1s6i h HIS 74 CO 0.00 0.72 0.00 -0.07 0.71 0.00 0.00 177.93 179.29 1s6i h LEU 75 N -0.84 0.00 -6.56 0.26 3.38 -1.35 -2.94 115.31 107.26 1s6i h LEU 75 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1s6i h LEU 75 Cb 0.76 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.09 1s6i h LEU 75 CO 0.00 0.00 -0.63 -3.20 0.09 0.00 0.00 178.44 174.70 1s6i n ASN 76 N -2.47 3.02 0.00 -0.43 2.85 -0.94 -5.01 115.26 112.28 1s6i n ASN 76 Ca -0.02 -3.25 0.00 0.00 -0.11 0.00 0.00 54.58 51.20 1s6i n ASN 76 Cb 0.04 -0.70 0.00 0.00 1.24 0.00 0.00 39.78 40.36 1s6i n ASN 76 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1s6i n LYS 77 N 1.45 0.00 -2.73 1.20 4.76 -1.11 -4.76 118.16 116.96 1s6i n LYS 77 Ca 0.25 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.28 1s6i n LYS 77 Cb 0.40 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.60 1s6i n LYS 77 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1s6i n LEU 78 N 0.00 7.05 -4.36 -0.35 4.77 -1.26 -5.01 117.00 117.84 1s6i n LEU 78 Ca 0.00 -5.36 -0.57 0.00 -0.03 0.00 0.00 56.01 50.05 1s6i n LEU 78 Cb 0.00 -1.17 -0.10 0.00 -2.33 0.00 0.00 43.42 39.82 1s6i n LEU 78 CO 0.00 1.98 1.72 1.21 -1.33 0.00 0.00 177.39 180.97 1s6i n GLU 79 N 0.24 0.44 -3.69 3.23 2.13 -1.26 -4.92 120.64 116.82 1s6i n GLU 79 Ca 0.42 0.12 -0.21 0.00 0.66 0.00 0.00 57.16 58.16 1s6i n GLU 79 Cb 0.28 -1.88 -0.18 0.00 0.27 0.00 0.00 31.44 29.93 1s6i n GLU 79 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1s6i s ARG 80 N 5.86 0.03 -0.07 5.31 3.00 -1.26 -5.14 118.95 126.68 1s6i s ARG 80 Ca 1.15 0.33 0.05 0.00 -1.00 0.00 0.00 55.73 56.26 1s6i s ARG 80 Cb -1.25 -0.60 -0.01 0.00 0.00 0.00 0.00 34.95 33.10 1s6i s ARG 80 CO 0.60 -0.33 -0.24 -1.21 0.00 0.00 0.00 175.30 174.12 1s6i s GLU 81 N 2.14 2.69 -0.33 5.12 2.02 -1.26 -5.06 118.70 124.02 1s6i s GLU 81 Ca 0.05 -0.87 -0.09 0.00 0.02 0.00 0.00 54.97 54.08 1s6i s GLU 81 Cb -0.12 -2.17 0.19 0.00 0.10 0.00 0.00 34.13 32.13 1s6i s GLU 81 CO -0.03 0.29 1.03 -2.00 0.02 0.00 0.00 175.26 174.56 1s6i s GLU 82 N 0.06 0.20 0.18 1.61 -6.30 -1.26 -5.18 118.70 108.01 1s6i s GLU 82 Ca -0.10 -0.06 -0.15 0.00 -2.50 0.00 0.00 54.97 52.17 1s6i s GLU 82 Cb -0.15 0.03 0.02 0.00 0.00 0.00 0.00 34.13 34.02 1s6i s GLU 82 CO 0.06 -0.30 0.43 1.21 0.02 0.00 0.00 175.26 176.68 1s6i s ASN 83 N 2.01 -0.16 -0.01 -1.70 3.84 -1.26 -5.06 114.94 112.60 1s6i s ASN 83 Ca 0.15 -0.59 -0.10 0.00 0.21 0.00 0.00 52.86 52.53 1s6i s ASN 83 Cb 0.03 0.52 -0.06 0.00 -0.55 0.00 0.00 41.25 41.19 1s6i s ASN 83 CO -0.15 -0.98 0.62 0.25 -2.79 0.00 0.00 177.10 174.05 1s6i h LEU 84 N 2.33 -0.31 -1.82 3.21 7.12 -2.01 -3.30 115.31 120.53 1s6i h LEU 84 Ca -0.30 0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.69 1s6i h LEU 84 Cb 1.25 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.46 1s6i h LEU 84 CO 0.42 -0.07 -0.13 1.62 -0.13 0.00 0.00 178.44 180.15 1s6i h VAL 85 N -0.68 0.93 -0.86 1.05 3.04 -1.98 -2.30 116.25 115.45 1s6i h VAL 85 Ca -0.04 -0.48 0.18 0.00 -1.01 0.00 0.00 66.70 65.35 1s6i h VAL 85 Cb 0.28 1.27 -0.06 0.00 -2.01 0.00 0.00 31.29 30.77 1s6i h VAL 85 CO 0.06 0.13 0.57 0.77 -1.01 0.00 0.00 177.57 178.09 1s6i h SER 86 N 0.00 0.42 0.00 3.17 4.64 -1.98 -0.49 113.55 119.31 1s6i h SER 86 Ca -0.00 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1s6i h SER 86 Cb 0.26 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1s6i h SER 86 CO 0.02 0.18 -0.24 0.00 -0.87 0.00 0.00 176.83 175.92 1s6i h ALA 87 N 1.62 0.04 -1.01 5.18 0.00 -1.50 -2.24 119.26 121.35 1s6i h ALA 87 Ca 0.44 -0.51 0.29 0.00 0.00 0.00 0.00 54.91 55.13 1s6i h ALA 87 Cb 1.05 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1s6i h ALA 87 CO -0.16 0.15 1.01 0.35 0.00 0.00 0.00 179.25 180.59 1s6i h PHE 88 N -1.00 0.00 0.03 0.00 3.57 -1.19 2.14 116.94 120.49 1s6i h PHE 88 Ca -0.06 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.18 1s6i h PHE 88 Cb 0.81 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1s6i h PHE 88 CO 0.16 0.00 -1.41 1.03 -2.23 0.00 0.00 178.31 175.86 1s6i h SER 89 N 0.00 0.10 0.00 0.41 0.87 -1.18 -3.25 113.55 110.50 1s6i h SER 89 Ca 0.48 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1s6i h SER 89 Cb 2.50 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 64.42 1s6i h SER 89 CO -0.01 1.57 -0.10 0.22 -0.53 0.00 0.00 176.83 177.99 1s6i h TYR 90 N -0.75 0.00 0.35 2.24 3.20 0.47 -3.30 116.97 119.19 1s6i h TYR 90 Ca -0.36 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 1s6i h TYR 90 Cb 1.47 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 1s6i h TYR 90 CO 0.10 0.00 -0.27 0.74 -1.64 0.00 0.00 178.16 177.08 1s6i h PHE 91 N -0.73 -0.74 0.00 -3.82 -1.00 0.30 -2.89 116.94 108.06 1s6i h PHE 91 Ca 0.00 -0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.10 1s6i h PHE 91 Cb 0.10 0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1s6i h PHE 91 CO -0.04 -0.38 2.91 -3.47 -1.61 0.00 0.00 178.31 175.71 1s6i n ASP 92 N -4.02 3.74 -0.33 2.17 -0.08 -0.45 -4.74 116.55 112.84 1s6i n ASP 92 Ca -0.07 -2.76 0.23 0.00 -1.51 0.00 0.00 54.79 50.67 1s6i n ASP 92 Cb 0.26 -1.47 0.45 0.00 2.34 0.00 0.00 41.12 42.70 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1s6i h LYS 93 N 6.54 0.27 0.00 -0.67 1.63 -1.58 0.49 116.57 123.25 1s6i h LYS 93 Ca 0.54 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.30 1s6i h LYS 93 Cb 0.62 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1s6i h LYS 93 CO 1.90 0.18 -0.12 -0.44 -3.45 0.00 0.00 179.45 177.51 1s6i h ASP 94 N 0.28 0.00 0.00 4.20 3.32 -1.85 -3.47 116.42 118.90 1s6i h ASP 94 Ca 0.71 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.76 1s6i h ASP 94 Cb 1.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1s6i h ASP 94 CO -0.63 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 177.62 1s6i n GLY 95 N 0.96 0.60 0.00 2.75 0.00 0.17 -4.73 105.19 104.95 1s6i n GLY 95 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s6i n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6i n SER 96 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.70 113.62 112.68 1s6i n SER 96 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1s6i n SER 96 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1s6i n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 97 N -1.34 0.59 3.20 5.00 0.00 -1.26 -5.01 105.19 106.37 1s6i n GLY 97 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1s6i n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s6i s TYR 98 N -2.00 1.51 -0.28 1.61 1.51 -1.26 0.13 117.35 118.57 1s6i s TYR 98 Ca 0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1s6i s TYR 98 Cb 0.00 -0.89 0.09 0.00 -0.11 0.00 0.00 41.96 41.05 1s6i s TYR 98 CO 0.00 0.07 0.07 0.42 -1.11 0.00 0.00 175.55 175.00 1s6i s ILE 99 N -0.85 0.85 0.53 2.71 1.01 0.58 -4.70 121.20 121.32 1s6i s ILE 99 Ca 0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 1s6i s ILE 99 Cb -0.08 -1.54 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 1s6i s ILE 99 CO 0.02 -0.53 1.03 0.42 0.00 0.00 0.00 174.94 175.87 1s6i s THR 100 N 1.65 4.02 0.30 2.92 -4.23 -1.26 0.91 115.64 119.95 1s6i s THR 100 Ca 0.06 1.07 0.18 0.00 -1.18 0.00 0.00 61.69 61.83 1s6i s THR 100 Cb -0.17 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.47 1s6i s THR 100 CO -0.20 -0.45 1.22 0.00 -0.54 0.00 0.00 174.62 174.65 1s6i n LEU 101 N -1.49 0.24 0.03 4.79 -0.00 -0.61 0.11 117.00 120.08 1s6i n LEU 101 Ca 0.08 1.23 -0.13 0.00 -0.00 0.00 0.00 56.01 57.20 1s6i n LEU 101 Cb 0.53 -0.60 -0.06 0.00 -0.00 0.00 0.00 43.42 43.28 1s6i n LEU 101 CO 0.44 -1.37 0.59 0.44 -0.00 0.00 0.00 177.39 177.48 1s6i h ASP 102 N 0.00 -1.27 -0.02 1.45 3.32 -1.89 0.41 116.42 118.42 1s6i h ASP 102 Ca 0.67 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.83 1s6i h ASP 102 Cb 1.86 0.51 -0.01 0.00 0.22 0.00 0.00 39.33 41.90 1s6i h ASP 102 CO -0.54 -0.44 -0.09 -0.33 -1.72 0.00 0.00 179.24 176.12 1s6i h GLU 103 N -0.53 0.26 0.19 3.56 5.08 0.47 -0.24 114.58 123.37 1s6i h GLU 103 Ca 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1s6i h GLU 103 Cb 0.63 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1s6i h GLU 103 CO -0.35 0.36 -0.09 0.82 -1.00 0.00 0.00 179.01 178.75 1s6i h ILE 104 N 0.25 0.00 -0.73 3.13 2.04 -0.46 -3.08 117.51 118.66 1s6i h ILE 104 Ca 0.05 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1s6i h ILE 104 Cb 0.33 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1s6i h ILE 104 CO 0.02 0.00 0.48 1.56 0.00 0.00 0.00 178.15 180.21 1s6i h GLN 105 N -0.46 0.63 -0.98 2.37 4.20 -0.29 -1.14 115.11 119.45 1s6i h GLN 105 Ca -0.03 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 58.74 1s6i h GLN 105 Cb 0.20 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 27.76 1s6i h GLN 105 CO 0.04 0.42 0.62 0.37 -0.67 0.00 0.00 178.83 179.60 1s6i h GLN 106 N 0.65 1.00 0.37 1.46 5.75 -1.12 -2.86 115.11 120.36 1s6i h GLN 106 Ca 0.34 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1s6i h GLN 106 Cb 0.45 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.77 1s6i h GLN 106 CO -0.12 0.66 -0.24 0.00 -2.65 0.00 0.00 178.83 176.49 1s6i h ALA 107 N 1.49 -1.06 -0.16 3.38 0.00 -1.11 -3.32 119.26 118.49 1s6i h ALA 107 Ca 0.46 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.93 1s6i h ALA 107 Cb 0.35 0.37 0.03 0.00 0.00 0.00 0.00 17.79 18.54 1s6i h ALA 107 CO -0.23 -1.05 0.96 0.00 0.00 0.00 0.00 179.25 178.93 1s6i h LYS 109 N 10.17 0.19 0.00 0.00 3.11 -1.74 -3.34 116.57 124.97 1s6i h LYS 109 Ca 0.18 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 1s6i h LYS 109 Cb 0.87 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1s6i h LYS 109 CO 1.44 1.15 0.00 -0.25 -2.81 0.00 0.00 179.45 178.98 1s6i n ASP 110 N -3.88 0.00 -0.08 4.20 8.00 -1.26 -2.39 116.55 121.13 1s6i n ASP 110 Ca -0.30 -0.10 0.15 0.00 0.71 0.00 0.00 54.79 55.25 1s6i n ASP 110 Cb 0.90 -0.23 0.83 0.00 -0.02 0.00 0.00 41.12 42.60 1s6i n ASP 110 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1s6i n PHE 111 N -1.23 0.00 -3.17 1.24 3.01 -1.25 -4.89 117.46 111.17 1s6i n PHE 111 Ca 0.10 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.36 1s6i n PHE 111 Cb 0.14 -0.05 0.05 0.00 -0.01 0.00 0.00 39.48 39.60 1s6i n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s6i n GLY 112 N 1.09 -0.39 2.34 1.37 0.00 -1.01 -4.85 105.19 103.75 1s6i n GLY 112 Ca 0.21 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1s6i n GLY 112 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s6i n LEU 113 N -4.01 -1.64 0.00 0.99 -0.00 -1.26 -4.97 117.00 106.11 1s6i n LEU 113 Ca -0.06 0.65 0.00 0.00 -0.00 0.00 0.00 56.01 56.60 1s6i n LEU 113 Cb 0.59 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1s6i n LEU 113 CO 0.49 -2.67 0.00 -0.90 -0.00 0.00 0.00 177.39 174.31 1s6i n ASP 114 N 1.56 0.00 -0.08 1.45 5.75 -1.26 -4.99 116.55 118.99 1s6i n ASP 114 Ca 0.09 -0.41 0.13 0.00 -0.01 0.00 0.00 54.79 54.60 1s6i n ASP 114 Cb 0.25 0.00 0.39 0.00 -1.03 0.00 0.00 41.12 40.73 1s6i n ASP 114 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1s6i n ASP 115 N -0.40 0.55 -0.04 -1.12 5.68 -1.26 -1.77 116.55 118.19 1s6i n ASP 115 Ca 0.00 -0.35 -0.02 0.00 -0.50 0.00 0.00 54.79 53.92 1s6i n ASP 115 Cb 0.00 0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.04 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1s6i h ILE 116 N 0.38 0.00 0.00 2.12 1.08 -1.96 -3.38 117.51 115.74 1s6i h ILE 116 Ca 0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1s6i h ILE 116 Cb 0.48 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 1s6i h ILE 116 CO 0.00 0.00 -0.09 1.57 -0.69 0.00 0.00 178.15 178.94 1s6i n HIS 117 N -3.51 0.11 0.33 1.37 -0.00 -1.26 -3.62 115.22 108.65 1s6i n HIS 117 Ca -0.04 0.05 0.19 0.00 0.46 0.00 0.00 57.72 58.39 1s6i n HIS 117 Cb 0.13 -0.28 1.03 0.00 -0.12 0.00 0.00 29.99 30.75 1s6i n HIS 117 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1s6i h ILE 118 N -0.15 0.03 0.01 3.57 5.03 -1.91 0.36 117.51 124.45 1s6i h ILE 118 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1s6i h ILE 118 Cb 0.09 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1s6i h ILE 118 CO 0.00 0.00 -0.01 -0.78 -0.68 0.00 0.00 178.15 176.68 1s6i h ASP 119 N 0.00 -0.02 0.00 1.72 3.58 -1.56 -3.19 116.42 116.95 1s6i h ASP 119 Ca 0.00 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1s6i h ASP 119 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1s6i h ASP 119 CO -0.00 0.52 0.03 0.44 -2.88 0.00 0.00 179.24 177.35 1s6i h ASP 120 N -1.00 0.00 -0.98 2.28 5.19 -1.51 0.18 116.42 120.58 1s6i h ASP 120 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1s6i h ASP 120 Cb 0.09 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.55 1s6i h ASP 120 CO 0.00 0.00 0.65 -0.03 -3.12 0.00 0.00 179.24 176.74 1s6i h MET 121 N 0.00 1.26 -0.64 3.56 4.05 -0.29 2.08 114.93 124.96 1s6i h MET 121 Ca 0.00 -0.08 0.09 0.00 -0.28 0.00 0.00 59.70 59.43 1s6i h MET 121 Cb 0.07 -0.29 -0.07 0.00 -0.80 0.00 0.00 31.60 30.52 1s6i h MET 121 CO 0.00 0.84 0.28 0.82 0.23 0.00 0.00 176.91 179.08 1s6i h ILE 122 N 1.30 0.83 0.00 1.77 2.04 -0.65 0.53 117.51 123.34 1s6i h ILE 122 Ca 0.36 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1s6i h ILE 122 Cb -0.12 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1s6i h ILE 122 CO -0.09 0.09 -0.28 0.29 0.00 0.00 0.00 178.15 178.16 1s6i n LYS 123 N -4.92 0.21 0.11 2.37 4.76 -0.23 -1.79 118.16 118.67 1s6i n LYS 123 Ca 0.09 0.11 -0.02 0.00 -2.87 0.00 0.00 58.31 55.63 1s6i n LYS 123 Cb 0.25 -1.68 0.02 0.00 -1.84 0.00 0.00 35.03 31.78 1s6i n LYS 123 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1s6i h GLU 124 N 0.00 0.00 -0.00 1.97 4.57 0.80 -3.24 114.58 118.68 1s6i h GLU 124 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s6i h GLU 124 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1s6i h GLU 124 CO 0.00 0.71 -0.43 -0.89 -1.18 0.00 0.00 179.01 177.22 1s6i n ILE 125 N -3.38 0.00 -2.27 2.32 5.41 0.77 -4.84 119.36 117.38 1s6i n ILE 125 Ca 0.01 -0.28 -0.34 0.00 1.00 0.00 0.00 62.75 63.13 1s6i n ILE 125 Cb 0.78 1.06 -0.04 0.00 -0.71 0.00 0.00 39.64 40.73 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1s6i s ASP 126 N -1.88 5.73 0.00 4.38 2.15 -0.74 -4.67 116.67 121.64 1s6i s ASP 126 Ca 0.07 -1.85 0.26 0.00 0.43 0.00 0.00 52.55 51.45 1s6i s ASP 126 Cb 0.09 -2.58 0.72 0.00 -0.30 0.00 0.00 42.92 40.85 1s6i s ASP 126 CO 0.41 -2.33 1.56 0.00 -0.17 0.00 0.00 175.17 174.64 1s6i n GLN 127 N 8.39 0.10 -0.00 4.34 3.00 -1.26 -4.44 117.38 127.50 1s6i n GLN 127 Ca 0.45 -0.05 -0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1s6i n GLN 127 Cb 0.47 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.21 1s6i n GLN 127 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1s6i n ASP 128 N -1.41 4.52 0.00 1.08 8.00 -1.26 -0.84 116.55 126.64 1s6i n ASP 128 Ca 0.07 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1s6i n ASP 128 Cb 0.33 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1s6i n ASN 129 N -2.23 0.00 0.24 -2.24 6.94 -1.26 -4.94 115.26 111.77 1s6i n ASN 129 Ca -0.00 0.00 0.17 0.00 -0.02 0.00 0.00 54.58 54.72 1s6i n ASN 129 Cb 0.50 0.00 0.80 0.00 -2.36 0.00 0.00 39.78 38.72 1s6i n ASN 129 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1s6i h ASP 130 N 0.00 0.00 -0.28 0.53 1.82 -1.96 -3.46 116.42 113.07 1s6i h ASP 130 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1s6i h ASP 130 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1s6i h ASP 130 CO 0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1s6i n GLY 131 N -0.67 1.09 3.18 -0.78 0.00 -1.26 -4.83 105.19 101.92 1s6i n GLY 131 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 1s6i n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s6i s GLN 132 N -2.02 1.03 -0.10 1.61 -2.07 -1.26 -1.57 119.66 115.28 1s6i s GLN 132 Ca 0.00 -1.51 0.03 0.00 -1.82 0.00 0.00 55.36 52.06 1s6i s GLN 132 Cb 0.00 0.17 0.01 0.00 -1.09 0.00 0.00 33.01 32.09 1s6i s GLN 132 CO 0.00 -0.28 -0.19 0.42 -1.32 0.00 0.00 175.29 173.92 1s6i s ILE 133 N -4.02 1.71 0.21 3.63 1.01 0.26 -4.53 121.20 119.48 1s6i s ILE 133 Ca 0.28 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1s6i s ILE 133 Cb 0.07 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 1s6i s ILE 133 CO 0.05 0.48 0.22 -0.62 0.00 0.00 0.00 174.94 175.07 1s6i s ASP 134 N 0.62 5.75 0.30 3.58 -1.08 -1.26 0.21 116.67 124.80 1s6i s ASP 134 Ca -0.14 -0.11 0.03 0.00 -0.52 0.00 0.00 52.55 51.81 1s6i s ASP 134 Cb -0.16 -1.55 0.77 0.00 -1.46 0.00 0.00 42.92 40.51 1s6i s ASP 134 CO 0.04 -0.00 1.52 0.00 0.52 0.00 0.00 175.17 177.24 1s6i n TYR 135 N -0.90 0.64 -0.10 -5.34 9.36 0.12 0.14 117.16 121.08 1s6i n TYR 135 Ca -0.08 1.16 -0.12 0.00 3.32 0.00 0.00 57.90 62.19 1s6i n TYR 135 Cb 0.56 -1.24 -0.04 0.00 -0.63 0.00 0.00 39.34 38.00 1s6i n TYR 135 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1s6i h GLY 136 N 0.00 0.66 0.47 2.98 0.00 -1.82 -1.63 103.07 103.74 1s6i h GLY 136 Ca 0.60 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1s6i h GLY 136 CO -0.90 0.52 -0.40 0.83 0.00 0.00 0.00 176.54 176.59 1s6i h GLU 137 N 0.37 -0.81 -0.48 4.80 5.08 0.79 0.26 114.58 124.59 1s6i h GLU 137 Ca 0.07 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.62 1s6i h GLU 137 Cb 0.62 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1s6i h GLU 137 CO 0.04 -0.54 0.34 0.35 -1.00 0.00 0.00 179.01 178.20 1s6i h PHE 138 N -0.84 0.02 0.00 4.33 3.57 -0.60 0.23 116.94 123.65 1s6i h PHE 138 Ca -0.06 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 1s6i h PHE 138 Cb 0.71 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1s6i h PHE 138 CO -0.17 0.01 -0.47 0.00 -2.23 0.00 0.00 178.31 175.45 1s6i h ALA 139 N 1.76 0.86 0.00 2.41 0.00 -0.34 -3.13 119.26 120.82 1s6i h ALA 139 Ca 0.23 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1s6i h ALA 139 Cb 0.89 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1s6i h ALA 139 CO -0.01 0.59 -1.15 0.00 0.00 0.00 0.00 179.25 178.69 1s6i h ALA 140 N 1.53 0.23 0.00 0.00 0.00 0.24 -2.70 119.26 118.56 1s6i h ALA 140 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1s6i h ALA 140 Cb 1.11 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1s6i h ALA 140 CO 0.06 0.67 0.07 0.00 0.00 0.00 0.00 179.25 180.05 1s6i n MET 141 N -4.46 0.07 -0.04 0.00 3.85 0.52 -1.57 117.12 115.49 1s6i n MET 141 Ca -0.29 0.54 -0.04 0.00 -1.00 0.00 0.00 57.70 56.91 1s6i n MET 141 Cb 0.63 -1.80 -0.07 0.00 -1.05 0.00 0.00 33.22 30.93 1s6i n MET 141 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1s6i n MET 142 N -1.86 2.56 0.33 3.17 0.00 -1.18 -4.71 117.12 115.43 1s6i n MET 142 Ca -0.01 -0.00 -0.15 0.00 0.00 0.00 0.00 57.70 57.54 1s6i n MET 142 Cb 0.09 -1.22 -0.07 0.00 0.00 0.00 0.00 33.22 32.02 1s6i n MET 142 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1s6i h ARG 143 N 0.00 -0.84 0.00 2.12 9.65 -0.93 -3.48 114.38 120.90 1s6i h ARG 143 Ca -0.23 0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 1s6i h ARG 143 Cb 1.53 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 30.30 1s6i h ARG 143 CO 0.01 -0.53 0.00 1.63 2.80 0.00 0.00 179.97 183.88 1s6i n LYS 144 N -5.37 2.22 0.01 0.20 5.02 -0.73 -5.05 118.16 114.46 1s6i n LYS 144 Ca -0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.01 1s6i n LYS 144 Cb 0.36 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.31 1s6i n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s6i h ARG 145 N 0.00 0.69 -1.42 1.97 -0.00 -1.89 -3.41 114.38 110.32 1s6i h ARG 145 Ca 0.00 -0.61 0.26 0.00 -0.50 0.00 0.00 59.98 59.13 1s6i h ARG 145 Cb 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 29.97 29.91 1s6i h ARG 145 CO 0.00 1.21 0.83 0.21 0.00 0.00 0.00 179.97 182.22 1s6i s LYS 146 N -3.62 0.28 0.01 0.04 2.20 -1.26 -4.79 119.74 112.60 1s6i s LYS 146 Ca -0.09 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.31 1s6i s LYS 146 Cb 0.09 0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 36.47 1s6i s LYS 146 CO 0.90 -0.12 0.90 0.78 -0.36 0.00 0.00 175.35 177.45 1s6i h GLY 147 N 2.02 -0.45 -4.39 5.54 0.00 -1.81 -3.48 103.07 100.50 1s6i h GLY 147 Ca -0.08 0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 1s6i h GLY 147 CO 0.23 -0.16 -0.19 0.21 0.00 0.00 0.00 176.54 176.62 1s6i s ASN 148 N -3.20 -0.27 0.08 0.19 2.47 -0.51 -4.96 114.94 108.74 1s6i s ASN 148 Ca -0.06 0.18 -0.17 0.00 0.42 0.00 0.00 52.86 53.23 1s6i s ASN 148 Cb 0.01 0.35 -0.04 0.00 -1.45 0.00 0.00 41.25 40.12 1s6i s ASN 148 CO 0.19 -0.49 1.29 1.23 -3.72 0.00 0.00 177.10 175.60 1s6i h GLY 149 N 3.68 -1.72 0.23 1.21 0.00 -1.95 -2.75 103.07 101.77 1s6i h GLY 149 Ca -0.29 0.97 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 1s6i h GLY 149 CO 0.40 -0.46 -0.24 -1.33 0.00 0.00 0.00 176.54 174.91 1s6i h GLY 150 N -0.01 -0.98 -4.44 4.60 0.00 -1.98 -3.45 103.07 96.82 1s6i h GLY 150 Ca 0.08 0.44 -0.44 0.00 0.00 0.00 0.00 47.33 47.42 1s6i h GLY 150 CO -0.49 -0.32 -0.79 -0.42 0.00 0.00 0.00 176.54 174.52 1s6i s ILE 151 N -4.34 1.20 0.00 2.60 1.09 -1.04 -4.86 121.20 115.86 1s6i s ILE 151 Ca -0.08 -1.33 0.00 0.00 -1.10 0.00 0.00 60.65 58.13 1s6i s ILE 151 Cb 0.02 -1.14 0.00 0.00 -1.06 0.00 0.00 42.46 40.28 1s6i s ILE 151 CO 0.28 -0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 1s6i n GLY 152 N 1.27 -0.88 2.65 6.18 0.00 -0.02 -1.43 105.19 112.96 1s6i n GLY 152 Ca -0.21 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1s6i n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s6i s ARG 153 N 0.00 1.51 0.22 1.61 6.06 -1.26 -3.91 118.95 123.18 1s6i s ARG 153 Ca 0.00 -2.46 -0.12 0.00 -2.50 0.00 0.00 55.73 50.65 1s6i s ARG 153 Cb 0.00 -2.33 -0.07 0.00 0.06 0.00 0.00 34.95 32.61 1s6i s ARG 153 CO 0.00 -1.28 0.58 0.50 -2.50 0.00 0.00 175.30 172.60 1s6i s ARG 154 N -0.31 3.90 0.57 5.12 3.52 -1.26 0.92 118.95 131.41 1s6i s ARG 154 Ca 0.25 0.42 0.36 0.00 -0.13 0.00 0.00 55.73 56.63 1s6i s ARG 154 Cb -0.08 -2.71 1.57 0.00 -1.56 0.00 0.00 34.95 32.17 1s6i s ARG 154 CO -0.12 0.35 2.06 1.15 -0.81 0.00 0.00 175.30 177.92 1s6i h THR 155 N 2.27 0.00 -1.59 4.11 2.02 -1.94 -3.22 112.91 114.56 1s6i h THR 155 Ca -0.48 -0.41 -0.48 0.00 0.77 0.00 0.00 66.41 65.81 1s6i h THR 155 Cb 1.18 1.41 -0.41 0.00 -1.74 0.00 0.00 68.15 68.59 1s6i h THR 155 CO 0.67 0.00 -1.01 1.15 0.37 0.00 0.00 175.52 176.71 1s6i n MET 156 N -3.08 1.93 -3.58 6.66 -0.00 -1.26 -5.03 117.12 112.76 1s6i n MET 156 Ca -0.00 -3.82 -0.03 0.00 -0.00 0.00 0.00 57.70 53.85 1s6i n MET 156 Cb 0.26 -1.75 -0.05 0.00 -0.00 0.00 0.00 33.22 31.68 1s6i n MET 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1s6i s ARG 157 N -3.09 0.50 0.00 3.17 6.06 -1.22 -4.95 118.95 119.42 1s6i s ARG 157 Ca 0.39 1.25 0.00 0.00 -2.50 0.00 0.00 55.73 54.86 1s6i s ARG 157 Cb 0.39 0.63 0.00 0.00 0.06 0.00 0.00 34.95 36.03 1s6i s ARG 157 CO -0.07 -0.28 0.00 0.36 -2.50 0.00 0.00 175.30 172.81 1s6i n LYS 158 N 5.43 0.00 0.00 5.12 2.85 -1.26 -4.52 118.16 125.78 1s6i n LYS 158 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1s6i n LYS 158 Cb 0.49 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.87 1s6i n LYS 158 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1s6i n THR 159 N -1.86 0.00 -1.62 0.58 5.66 -1.26 -5.13 114.28 110.64 1s6i n THR 159 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1s6i n THR 159 Cb 0.00 0.68 0.10 0.00 -1.55 0.00 0.00 70.33 69.56 1s6i n THR 159 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1s6i s LEU 160 N 0.00 2.44 0.32 1.09 1.43 -1.26 -4.98 118.68 117.72 1s6i s LEU 160 Ca 0.00 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 1s6i s LEU 160 Cb 0.00 -3.66 -0.11 0.00 0.03 0.00 0.00 46.19 42.45 1s6i s LEU 160 CO 0.00 -2.07 1.56 0.20 0.23 0.00 0.00 176.35 176.27 1s6i s ASN 161 N -4.07 6.37 0.00 2.29 0.02 -1.26 -4.87 114.94 113.42 1s6i s ASN 161 Ca 0.61 2.98 0.23 0.00 -1.02 0.00 0.00 52.86 55.67 1s6i s ASN 161 Cb -0.14 -2.65 1.20 0.00 0.02 0.00 0.00 41.25 39.69 1s6i s ASN 161 CO 0.53 -0.90 1.77 0.18 0.02 0.00 0.00 177.10 178.70 1s6i n LEU 162 N 1.64 0.00 -4.98 0.60 4.32 -1.26 -4.79 117.00 112.54 1s6i n LEU 162 Ca 0.06 0.25 -0.21 0.00 -0.02 0.00 0.00 56.01 56.09 1s6i n LEU 162 Cb 0.38 -0.25 0.01 0.00 -1.62 0.00 0.00 43.42 41.93 1s6i n LEU 162 CO 0.64 -0.06 0.18 -0.13 -1.22 0.00 0.00 177.39 176.79 1s6i s ARG 163 N -2.50 3.03 -0.13 3.23 1.81 -1.26 -5.10 118.95 118.03 1s6i s ARG 163 Ca 0.24 -0.80 -0.06 0.00 -1.72 0.00 0.00 55.73 53.39 1s6i s ARG 163 Cb 0.16 -2.69 -0.04 0.00 -0.45 0.00 0.00 34.95 31.93 1s6i s ARG 163 CO 0.34 -0.15 0.09 0.34 -0.68 0.00 0.00 175.30 175.24 1s6i s ASP 164 N -4.22 5.94 0.18 0.23 2.15 -1.26 -5.11 116.67 114.58 1s6i s ASP 164 Ca 0.48 0.30 0.04 0.00 0.43 0.00 0.00 52.55 53.80 1s6i s ASP 164 Cb -0.10 -1.90 -0.03 0.00 -0.30 0.00 0.00 42.92 40.59 1s6i s ASP 164 CO 0.34 0.34 0.26 0.00 -0.17 0.00 0.00 175.17 175.95 1s6i s ALA 165 N -0.63 3.85 -0.16 3.66 0.00 -1.26 -5.02 121.76 122.20 1s6i s ALA 165 Ca 0.12 -1.14 0.16 0.00 0.00 0.00 0.00 51.96 51.09 1s6i s ALA 165 Cb -0.12 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.38 1s6i s ALA 165 CO 0.02 0.44 1.31 -0.07 0.00 0.00 0.00 175.76 177.47 1s6i h LEU 166 N 1.93 0.00 0.00 0.00 4.07 -2.07 -3.50 115.31 115.75 1s6i h LEU 166 Ca -0.49 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1s6i h LEU 166 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1s6i h LEU 166 CO 0.65 0.50 0.00 0.61 -1.08 0.00 0.00 178.44 179.12 1s6i n GLY 167 N 1.26 0.59 3.47 0.83 0.00 -1.26 -5.03 105.19 105.05 1s6i n GLY 167 Ca -0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1s6i n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6i s LEU 168 N 0.00 4.98 0.33 0.99 2.96 -1.26 -5.06 118.68 121.62 1s6i s LEU 168 Ca 0.00 -0.78 -0.28 0.00 -0.22 0.00 0.00 54.13 52.85 1s6i s LEU 168 Cb 0.00 -2.31 -0.09 0.00 0.50 0.00 0.00 46.19 44.29 1s6i s LEU 168 CO 0.00 -0.55 1.14 0.68 -1.32 0.00 0.00 176.35 176.30 1s6i s VAL 169 N 1.99 3.32 0.12 1.68 -7.23 -1.26 -5.05 120.40 113.97 1s6i s VAL 169 Ca 0.10 1.24 0.01 0.00 -1.81 0.00 0.00 61.98 61.52 1s6i s VAL 169 Cb -0.18 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 1s6i s VAL 169 CO 0.12 0.23 -0.04 1.51 -0.31 0.00 0.00 175.10 176.61 1s6i s ASP 170 N -0.96 1.06 -0.20 4.85 -4.77 -1.26 -5.07 116.67 110.32 1s6i s ASP 170 Ca 0.50 -1.07 -0.01 0.00 -3.30 0.00 0.00 52.55 48.67 1s6i s ASP 170 Cb -0.32 0.12 -0.12 0.00 -1.09 0.00 0.00 42.92 41.51 1s6i s ASP 170 CO 0.41 -0.52 -0.20 0.59 0.70 0.00 0.00 175.17 176.15 1s6i n ASN 171 N -0.10 2.26 0.00 2.11 3.02 -1.26 -5.13 115.26 116.17 1s6i n ASN 171 Ca -0.10 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1s6i n ASN 171 Cb 0.62 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s6i n GLY 172 N 2.38 -0.79 0.00 7.41 0.00 -1.26 -4.86 105.19 108.06 1s6i n GLY 172 Ca -0.36 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.49 1s6i n GLY 172 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6i n SER 173 N 0.00 0.00 0.01 1.61 7.64 -1.26 -4.89 113.62 116.73 1s6i n SER 173 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1s6i n SER 173 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1s6i n SER 173 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1s6i n ASN 174 N -1.03 0.41 -4.33 6.43 4.13 -1.26 -4.77 115.26 114.84 1s6i n ASN 174 Ca 0.00 -0.23 -0.46 0.00 1.68 0.00 0.00 54.58 55.57 1s6i n ASN 174 Cb 0.00 1.41 -0.04 0.00 -1.54 0.00 0.00 39.78 39.61 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1s6i s GLN 175 N -3.33 3.13 0.30 3.52 1.11 -1.26 -5.05 119.66 118.08 1s6i s GLN 175 Ca -0.02 -1.80 -0.29 0.00 0.01 0.00 0.00 55.36 53.27 1s6i s GLN 175 Cb 0.14 -4.33 -0.10 0.00 -1.01 0.00 0.00 33.01 27.71 1s6i s GLN 175 CO 0.87 -1.37 1.33 0.54 0.01 0.00 0.00 175.29 176.68 1s6i s VAL 176 N 1.51 2.75 -0.15 1.09 0.11 -1.26 -4.85 120.40 119.60 1s6i s VAL 176 Ca 0.08 0.71 -0.01 0.00 -2.93 0.00 0.00 61.98 59.83 1s6i s VAL 176 Cb -0.25 -3.45 -0.01 0.00 -1.53 0.00 0.00 36.38 31.14 1s6i s VAL 176 CO 0.01 0.15 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.30 1s6i s ILE 177 N -0.79 3.01 -0.43 7.04 2.07 -1.26 -5.08 121.20 125.76 1s6i s ILE 177 Ca 0.52 -0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 58.81 1s6i s ILE 177 Cb -0.40 -2.29 0.02 0.00 0.13 0.00 0.00 42.46 39.92 1s6i s ILE 177 CO 0.50 0.51 1.31 -1.61 -1.91 0.00 0.00 174.94 173.73 1s6i s GLU 178 N 0.65 3.64 0.77 3.50 2.02 -1.26 -5.01 118.70 123.02 1s6i s GLU 178 Ca -0.06 0.81 -0.11 0.00 0.02 0.00 0.00 54.97 55.62 1s6i s GLU 178 Cb -0.15 -3.98 0.05 0.00 0.10 0.00 0.00 34.13 30.15 1s6i s GLU 178 CO 0.02 -1.48 1.09 0.20 0.02 0.00 0.00 175.26 175.12 1s6i s GLY 179 N 3.34 1.63 0.00 -1.39 0.00 -1.26 -4.98 107.32 104.66 1s6i s GLY 179 Ca 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.06 1s6i s GLY 179 CO 0.32 0.19 0.22 1.58 0.00 0.00 0.00 173.10 175.40 1s6i n TYR 180 N -3.31 0.00 -0.11 1.90 0.18 -1.26 -4.94 117.16 109.62 1s6i n TYR 180 Ca 0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.85 1s6i n TYR 180 Cb 0.56 0.18 0.00 0.00 -0.38 0.00 0.00 39.34 39.71 1s6i n TYR 180 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1s6i n PHE 181 N 0.00 0.00 -0.44 -3.48 7.35 -1.26 -5.39 117.46 114.25 1s6i n PHE 181 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1s6i n PHE 181 Cb 0.37 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.20 1s6i n PHE 181 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63