#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 4.40 -3.41 0.00 1.02 -1.26 -5.02 120.64 116.36 1s6i n GLU 2 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1s6i n GLU 2 Cb 0.00 -0.38 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 1s6i n GLU 2 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1s6i s ARG 3 N -0.72 0.51 0.00 3.49 3.00 -1.26 -5.02 118.95 118.95 1s6i s ARG 3 Ca 0.00 1.14 0.00 0.00 -1.00 0.00 0.00 55.73 55.87 1s6i s ARG 3 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 34.95 35.62 1s6i s ARG 3 CO 0.00 -0.33 0.00 -0.11 0.00 0.00 0.00 175.30 174.86 1s6i n LEU 4 N 5.38 0.00 -5.02 -0.88 7.94 -1.26 -5.15 117.00 118.02 1s6i n LEU 4 Ca -0.08 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.60 1s6i n LEU 4 Cb 0.50 0.17 0.10 0.00 0.53 0.00 0.00 43.42 44.72 1s6i n LEU 4 CO -0.02 -0.17 0.49 -0.55 -1.11 0.00 0.00 177.39 176.03 1s6i s SER 5 N -1.39 4.52 -0.53 1.96 0.15 -1.26 -5.03 113.70 112.13 1s6i s SER 5 Ca 0.00 -0.66 0.02 0.00 0.70 0.00 0.00 55.95 56.01 1s6i s SER 5 Cb 0.00 0.30 0.44 0.00 -1.71 0.00 0.00 66.02 65.05 1s6i s SER 5 CO 0.00 -1.76 1.64 -1.84 1.20 0.00 0.00 173.24 172.47 1s6i n GLU 6 N -2.66 3.11 0.21 5.44 0.00 -1.26 -4.68 120.64 120.80 1s6i n GLU 6 Ca 0.17 -3.76 0.15 0.00 0.00 0.00 0.00 57.16 53.72 1s6i n GLU 6 Cb 0.61 -2.28 0.71 0.00 0.00 0.00 0.00 31.44 30.49 1s6i n GLU 6 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1s6i h GLU 7 N 2.23 0.00 -0.59 3.44 4.81 -1.96 -2.65 114.58 119.85 1s6i h GLU 7 Ca 0.49 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1s6i h GLU 7 Cb 1.01 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1s6i h GLU 7 CO 1.20 0.00 0.30 1.49 -0.73 0.00 0.00 179.01 181.26 1s6i h GLU 8 N 0.00 0.84 0.06 1.92 4.22 -2.04 -3.31 114.58 116.27 1s6i h GLU 8 Ca 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.32 1s6i h GLU 8 Cb 0.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1s6i h GLU 8 CO 0.00 0.67 -0.03 0.82 -2.18 0.00 0.00 179.01 178.29 1s6i h ILE 9 N 0.80 0.00 -2.39 2.32 5.03 -1.87 -3.49 117.51 117.90 1s6i h ILE 9 Ca 0.20 -0.04 0.14 0.00 -0.12 0.00 0.00 64.86 65.04 1s6i h ILE 9 Cb 0.09 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.78 1s6i h ILE 9 CO -0.03 0.00 0.46 -0.83 -0.68 0.00 0.00 178.15 177.07 1s6i s GLY 10 N -1.49 -0.33 -0.92 5.37 0.00 -1.25 -5.05 107.32 103.65 1s6i s GLY 10 Ca -0.01 0.44 -0.26 0.00 0.00 0.00 0.00 44.72 44.88 1s6i s GLY 10 CO 0.04 0.12 1.99 0.61 0.00 0.00 0.00 173.10 175.86 1s6i n GLY 11 N -0.39 0.16 0.11 0.20 0.00 -1.26 -4.55 105.19 99.46 1s6i n GLY 11 Ca -0.08 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 20.44 0.17 -1.91 0.99 5.85 -1.94 -2.42 115.31 136.49 1s6i h LEU 12 Ca 0.11 -0.71 0.12 0.00 0.84 0.00 0.00 57.88 58.24 1s6i h LEU 12 Cb 0.92 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1s6i h LEU 12 CO 1.27 1.55 0.33 0.50 -0.34 0.00 0.00 178.44 181.75 1s6i h LYS 13 N -0.64 0.10 0.06 1.25 3.64 -1.94 0.49 116.57 119.52 1s6i h LYS 13 Ca -0.33 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.78 1s6i h LYS 13 Cb 1.52 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 33.34 1s6i h LYS 13 CO -0.08 0.06 -1.11 0.93 -2.27 0.00 0.00 179.45 176.99 1s6i h GLU 14 N 0.10 0.55 -0.41 1.90 3.07 -1.92 -3.03 114.58 114.85 1s6i h GLU 14 Ca 0.22 -0.67 0.12 0.00 -0.50 0.00 0.00 59.36 58.53 1s6i h GLU 14 Cb 0.75 0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1s6i h GLU 14 CO -0.02 1.28 0.34 1.25 -1.40 0.00 0.00 179.01 180.45 1s6i h LEU 15 N 0.28 0.00 -0.17 1.33 5.85 0.44 1.32 115.31 124.36 1s6i h LEU 15 Ca -0.14 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1s6i h LEU 15 Cb 1.77 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.80 1s6i h LEU 15 CO 0.21 0.00 -0.23 0.15 -0.34 0.00 0.00 178.44 178.22 1s6i h PHE 16 N 0.00 0.56 0.00 1.25 3.57 -1.04 -2.87 116.94 118.41 1s6i h PHE 16 Ca 0.19 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1s6i h PHE 16 Cb 0.87 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1s6i h PHE 16 CO 0.00 0.86 -0.15 0.36 -2.23 0.00 0.00 178.31 177.15 1s6i n LYS 17 N -4.44 0.14 0.27 1.11 2.85 0.09 -2.79 118.16 115.40 1s6i n LYS 17 Ca -0.06 0.09 0.13 0.00 -1.05 0.00 0.00 58.31 57.42 1s6i n LYS 17 Cb 0.43 -1.64 0.77 0.00 -0.65 0.00 0.00 35.03 33.94 1s6i n LYS 17 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1s6i h MET 18 N 0.00 0.00 0.00 -1.58 4.05 0.18 -2.72 114.93 114.86 1s6i h MET 18 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1s6i h MET 18 Cb 0.62 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1s6i h MET 18 CO 0.00 0.07 -0.35 0.82 0.23 0.00 0.00 176.91 177.68 1s6i h ILE 19 N 0.00 0.07 -0.29 1.77 2.04 -1.48 -3.39 117.51 116.24 1s6i h ILE 19 Ca -0.00 -1.07 -0.58 0.00 1.00 0.00 0.00 64.86 64.21 1s6i h ILE 19 Cb 0.18 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1s6i h ILE 19 CO 0.01 0.02 2.52 -0.90 0.00 0.00 0.00 178.15 179.80 1s6i n ASP 20 N -4.67 7.79 -0.02 1.72 5.75 -1.15 -4.07 116.55 121.90 1s6i n ASP 20 Ca -0.06 -2.70 0.14 0.00 -0.01 0.00 0.00 54.79 52.17 1s6i n ASP 20 Cb 0.19 -1.47 0.68 0.00 -1.03 0.00 0.00 41.12 39.49 1s6i n ASP 20 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1s6i n THR 21 N 2.84 0.00 0.00 2.12 5.66 -1.04 -3.87 114.28 119.99 1s6i n THR 21 Ca 0.67 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.66 1s6i n THR 21 Cb 0.39 -0.40 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 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 -1.29 1.24 0.00 1.09 5.75 -1.26 -4.96 116.55 117.13 1s6i n ASP 22 Ca 0.12 -0.15 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1s6i n ASP 22 Cb 0.27 0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 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 -0.66 0.00 0.00 -1.12 4.05 -1.25 -4.99 115.26 111.28 1s6i n ASN 23 Ca 0.00 0.04 0.00 0.00 0.45 0.00 0.00 54.58 55.07 1s6i n ASN 23 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1s6i n SER 24 N -0.15 0.00 0.00 1.20 3.41 -1.26 -4.97 113.62 111.85 1s6i n SER 24 Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 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 1.85 3.25 5.00 0.00 -1.25 -5.13 105.19 108.91 1s6i n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.03 -0.46 2.61 -4.23 -1.26 -4.80 115.64 105.53 1s6i s THR 26 Ca 0.00 -0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 1s6i s THR 26 Cb 0.00 -0.58 0.09 0.00 1.34 0.00 0.00 72.50 73.35 1s6i s THR 26 CO 0.00 -0.14 0.36 -0.63 -0.54 0.00 0.00 174.62 173.67 1s6i s ILE 27 N -0.68 4.80 0.33 2.99 1.01 0.25 -4.54 121.20 125.35 1s6i s ILE 27 Ca -0.08 -1.30 0.07 0.00 0.00 0.00 0.00 60.65 59.34 1s6i s ILE 27 Cb -0.04 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 1s6i s ILE 27 CO 0.03 -0.61 0.37 0.42 0.00 0.00 0.00 174.94 175.14 1s6i s THR 28 N 1.54 3.84 0.31 2.92 -4.23 -1.25 0.18 115.64 118.94 1s6i s THR 28 Ca 0.04 -1.20 0.22 0.00 -1.18 0.00 0.00 61.69 59.57 1s6i s THR 28 Cb -0.25 -3.31 0.35 0.00 1.34 0.00 0.00 72.50 70.63 1s6i s THR 28 CO 0.04 -0.18 1.11 0.33 -0.54 0.00 0.00 174.62 175.38 1s6i n PHE 29 N -1.48 0.53 -0.05 3.99 7.35 -1.01 0.13 117.46 126.92 1s6i n PHE 29 Ca -0.01 0.53 -0.14 0.00 -0.76 0.00 0.00 57.45 57.07 1s6i n PHE 29 Cb 0.59 -0.93 -0.12 0.00 0.35 0.00 0.00 39.48 39.37 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 0.01 1.56 -2.13 3.32 -1.93 -3.29 116.42 113.97 1s6i h ASP 30 Ca 0.62 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1s6i h ASP 30 Cb 1.98 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.53 1s6i h ASP 30 CO -0.35 0.82 0.00 -0.33 -1.72 0.00 0.00 179.24 177.66 1s6i h GLU 31 N -0.79 0.00 -0.78 3.56 3.07 -0.30 -2.72 114.58 116.62 1s6i h GLU 31 Ca -0.00 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.04 1s6i h GLU 31 Cb 0.82 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.60 1s6i h GLU 31 CO 0.00 0.00 0.02 1.25 -1.40 0.00 0.00 179.01 178.89 1s6i h LEU 32 N 0.00 -0.33 0.00 1.33 7.12 1.00 -1.69 115.31 122.74 1s6i h LEU 32 Ca 0.00 0.20 -0.10 0.00 0.13 0.00 0.00 57.88 58.11 1s6i h LEU 32 Cb 0.78 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 41.24 1s6i h LEU 32 CO 0.00 -0.18 -0.61 0.07 -0.13 0.00 0.00 178.44 177.58 1s6i h LYS 33 N 0.11 0.00 -1.13 1.25 2.10 -1.70 -3.37 116.57 113.83 1s6i h LYS 33 Ca 0.43 0.00 0.39 0.00 -2.00 0.00 0.00 60.65 59.48 1s6i h LYS 33 Cb 0.78 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.99 1s6i h LYS 33 CO -0.68 0.81 0.72 -0.25 -2.00 0.00 0.00 179.45 178.06 1s6i n ASP 34 N -4.55 0.18 0.22 7.07 9.92 -0.96 -1.00 116.55 127.43 1s6i n ASP 34 Ca -0.19 1.15 -0.13 0.00 -0.53 0.00 0.00 54.79 55.10 1s6i n ASP 34 Cb 0.51 -0.56 -0.07 0.00 -0.64 0.00 0.00 41.12 40.35 1s6i n ASP 34 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1s6i h GLY 35 N 0.00 -0.63 2.00 0.44 0.00 -1.47 -3.25 103.07 100.16 1s6i h GLY 35 Ca 0.73 0.23 -0.12 0.00 0.00 0.00 0.00 47.33 48.16 1s6i h GLY 35 CO -0.39 -0.23 -0.59 0.17 0.00 0.00 0.00 176.54 175.50 1s6i h LEU 36 N -1.00 0.00 0.00 3.11 -0.00 -1.26 -2.60 115.31 113.56 1s6i h LEU 36 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1s6i h LEU 36 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1s6i h LEU 36 CO 0.10 0.59 0.00 2.29 -0.00 0.00 0.00 178.44 181.42 1s6i n LYS 37 N -3.63 0.16 0.01 0.17 2.85 -0.47 -2.10 118.16 115.16 1s6i n LYS 37 Ca -0.01 0.16 -0.22 0.00 -1.05 0.00 0.00 58.31 57.20 1s6i n LYS 37 Cb 0.64 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.38 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 0.26 0.00 -1.58 2.43 -1.49 -3.34 114.38 110.66 1s6i h ARG 38 Ca 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1s6i h ARG 38 Cb 0.07 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1s6i h ARG 38 CO 0.00 1.21 0.00 1.33 -1.51 0.00 0.00 179.97 181.00 1s6i n VAL 39 N -3.81 0.01 0.00 0.20 0.24 -0.89 -4.84 118.33 109.24 1s6i n VAL 39 Ca -0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1s6i n VAL 39 Cb 0.95 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 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 0.35 2.46 3.51 7.63 0.00 -1.22 -5.08 105.19 112.83 1s6i n GLY 40 Ca 0.16 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1s6i n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6i n SER 41 N 0.18 -0.68 -3.50 1.61 7.64 -1.16 -4.92 113.62 112.80 1s6i n SER 41 Ca 0.00 0.63 -0.23 0.00 1.01 0.00 0.00 58.87 60.29 1s6i n SER 41 Cb 0.00 -1.27 -0.13 0.00 -1.01 0.00 0.00 64.21 61.80 1s6i n SER 41 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1s6i s GLU 42 N -2.83 0.21 0.38 1.43 2.02 -1.26 -3.60 118.70 115.05 1s6i s GLU 42 Ca 0.68 -0.18 0.08 0.00 0.02 0.00 0.00 54.97 55.57 1s6i s GLU 42 Cb -0.36 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 32.73 1s6i s GLU 42 CO 0.55 -0.89 0.38 -0.48 0.02 0.00 0.00 175.26 174.84 1s6i s LEU 43 N 2.23 3.53 0.34 1.80 0.05 -1.26 -5.11 118.68 120.27 1s6i s LEU 43 Ca 0.08 -0.58 0.07 0.00 0.05 0.00 0.00 54.13 53.75 1s6i s LEU 43 Cb -0.15 -2.23 -0.02 0.00 -2.05 0.00 0.00 46.19 41.74 1s6i s LEU 43 CO -0.26 -0.55 0.35 -0.04 -0.55 0.00 0.00 176.35 175.30 1s6i s MET 44 N -4.11 2.81 0.12 1.48 -1.94 -1.26 -5.00 119.30 111.39 1s6i s MET 44 Ca 0.46 -1.24 -0.34 0.00 -1.71 0.00 0.00 55.69 52.86 1s6i s MET 44 Cb -0.05 -2.56 -0.12 0.00 2.01 0.00 0.00 34.83 34.11 1s6i s MET 44 CO 0.28 0.06 1.55 0.93 -0.01 0.00 0.00 175.02 177.84 1s6i h GLU 45 N 1.14 -0.51 -1.46 2.03 5.08 -2.00 0.55 114.58 119.40 1s6i h GLU 45 Ca -0.45 0.03 0.49 0.00 -1.00 0.00 0.00 59.36 58.44 1s6i h GLU 45 Cb 1.26 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 30.49 1s6i h GLU 45 CO 0.57 -0.34 0.96 -1.13 -1.00 0.00 0.00 179.01 178.07 1s6i n SER 46 N -5.42 0.17 -0.19 1.42 3.41 -1.26 0.20 113.62 111.96 1s6i n SER 46 Ca -0.05 1.29 -0.10 0.00 -0.26 0.00 0.00 58.87 59.75 1s6i n SER 46 Cb 0.37 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1s6i n SER 46 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1s6i h GLU 47 N 0.00 0.97 0.69 4.33 3.07 -1.22 0.93 114.58 123.35 1s6i h GLU 47 Ca 0.88 -0.32 -0.03 0.00 -0.50 0.00 0.00 59.36 59.39 1s6i h GLU 47 Cb 2.96 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 30.77 1s6i h GLU 47 CO -0.38 0.99 -0.48 0.82 -1.40 0.00 0.00 179.01 178.56 1s6i h ILE 48 N 0.85 0.00 0.00 3.13 5.03 0.24 0.28 117.51 127.04 1s6i h ILE 48 Ca 0.15 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.87 1s6i h ILE 48 Cb 0.56 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.35 1s6i h ILE 48 CO 0.03 0.00 -0.12 0.50 -0.68 0.00 0.00 178.15 177.88 1s6i h LYS 49 N -1.11 0.00 -0.23 2.37 3.64 -1.49 -1.02 116.57 118.74 1s6i h LYS 49 Ca -0.09 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 1s6i h LYS 49 Cb 0.91 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1s6i h LYS 49 CO 0.06 0.12 -0.54 0.22 -2.27 0.00 0.00 179.45 177.04 1s6i h ASP 50 N 0.00 0.74 1.38 4.20 3.58 -0.23 -2.47 116.42 123.63 1s6i h ASP 50 Ca -0.00 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.00 1s6i h ASP 50 Cb 0.32 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1s6i h ASP 50 CO 0.02 1.13 -0.25 0.25 -2.88 0.00 0.00 179.24 177.51 1s6i h LEU 51 N 0.51 0.00 -0.13 2.28 6.46 0.47 -0.35 115.31 124.55 1s6i h LEU 51 Ca 0.01 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.67 1s6i h LEU 51 Cb 1.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1s6i h LEU 51 CO 0.11 0.25 -0.31 0.24 -0.62 0.00 0.00 178.44 178.11 1s6i h MET 52 N 0.00 0.43 0.00 1.25 2.86 -0.94 0.41 114.93 118.95 1s6i h MET 52 Ca -0.00 -0.29 -0.27 0.00 -2.06 0.00 0.00 59.70 57.07 1s6i h MET 52 Cb 1.01 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 1s6i h MET 52 CO 0.03 0.91 -1.53 0.22 1.06 0.00 0.00 176.91 177.60 1s6i h ASP 53 N 0.02 0.02 0.82 1.22 3.58 -1.47 -2.53 116.42 118.07 1s6i h ASP 53 Ca -0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1s6i h ASP 53 Cb 0.91 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1s6i h ASP 53 CO 0.07 1.02 -1.11 0.00 -2.88 0.00 0.00 179.24 176.34 1s6i n ALA 54 N -2.51 2.65 0.00 -0.78 0.00 -0.14 -4.70 120.51 115.02 1s6i n ALA 54 Ca -0.13 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1s6i n ALA 54 Cb 1.02 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.14 2.38 -1.62 0.00 0.00 0.47 -4.97 120.51 114.63 1s6i n ALA 55 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1s6i n ALA 55 Cb 0.54 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 20.27 1s6i n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6i s ASP 56 N -4.16 4.32 0.63 0.00 -1.08 0.12 -4.60 116.67 111.89 1s6i s ASP 56 Ca 0.00 0.58 0.24 0.00 -0.52 0.00 0.00 52.55 52.85 1s6i s ASP 56 Cb 0.00 -2.52 1.19 0.00 -1.46 0.00 0.00 42.92 40.13 1s6i s ASP 56 CO 0.00 -3.21 1.66 0.40 0.52 0.00 0.00 175.17 174.54 1s6i h ILE 57 N 7.62 0.12 -0.91 4.11 1.08 -1.85 0.56 117.51 128.24 1s6i h ILE 57 Ca -0.14 0.00 -0.44 0.00 -0.39 0.00 0.00 64.86 63.89 1s6i h ILE 57 Cb 1.15 0.43 -0.41 0.00 -3.07 0.00 0.00 36.82 34.92 1s6i h ILE 57 CO 1.11 0.00 -0.95 -0.67 -0.69 0.00 0.00 178.15 176.95 1s6i n ASP 58 N -3.14 3.32 -2.83 1.72 2.03 -1.26 -5.05 116.55 111.34 1s6i n ASP 58 Ca 0.06 -3.10 -0.14 0.00 0.52 0.00 0.00 54.79 52.13 1s6i n ASP 58 Cb 0.76 -0.44 -0.14 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.49 0.00 -0.19 -0.67 0.00 0.19 -4.58 118.16 112.41 1s6i n LYS 59 Ca 0.26 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.62 1s6i n LYS 59 Cb 0.82 -0.64 0.07 0.00 0.00 0.00 0.00 35.03 35.28 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 3.58 1.40 -0.57 3.14 3.41 -1.26 -4.95 113.62 118.37 1s6i n SER 60 Ca 0.43 -2.46 -0.07 0.00 -0.26 0.00 0.00 58.87 56.50 1s6i n SER 60 Cb 0.09 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 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 -0.77 0.93 3.21 5.00 0.00 -1.26 -4.98 105.19 107.31 1s6i n GLY 61 Ca 0.08 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.17 -0.18 -0.16 2.61 2.01 -1.22 -2.39 115.64 114.12 1s6i s THR 62 Ca 0.00 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 1s6i s THR 62 Cb 0.00 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1s6i s THR 62 CO 0.00 0.06 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.34 1s6i s ILE 63 N 1.71 4.06 0.37 1.82 1.01 0.49 -4.83 121.20 125.83 1s6i s ILE 63 Ca -0.07 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.36 1s6i s ILE 63 Cb -0.10 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1s6i s ILE 63 CO -0.12 0.48 0.37 -1.81 0.00 0.00 0.00 174.94 173.87 1s6i s ASP 64 N 0.42 5.32 0.25 3.58 1.01 -1.26 -0.58 116.67 125.40 1s6i s ASP 64 Ca -0.02 -0.54 0.03 0.00 0.71 0.00 0.00 52.55 52.73 1s6i s ASP 64 Cb -0.14 -0.83 0.65 0.00 1.01 0.00 0.00 42.92 43.61 1s6i s ASP 64 CO 0.02 -0.51 1.22 0.00 0.21 0.00 0.00 175.17 176.11 1s6i n TYR 65 N -1.52 0.54 0.26 4.23 9.36 -1.26 0.03 117.16 128.81 1s6i n TYR 65 Ca 0.01 0.93 -0.10 0.00 3.32 0.00 0.00 57.90 62.06 1s6i n TYR 65 Cb 0.60 -1.11 -0.05 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 -0.70 0.70 2.98 0.00 -2.01 -2.64 103.07 101.40 1s6i h GLY 66 Ca 0.49 0.26 0.14 0.00 0.00 0.00 0.00 47.33 48.23 1s6i h GLY 66 CO -0.71 -0.26 0.51 0.83 0.00 0.00 0.00 176.54 176.91 1s6i h GLU 67 N -0.81 0.00 0.40 4.80 5.08 -1.35 -2.15 114.58 120.54 1s6i h GLU 67 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1s6i h GLU 67 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1s6i h GLU 67 CO 0.11 0.00 -0.19 0.35 -1.00 0.00 0.00 179.01 178.28 1s6i h PHE 68 N 0.00 -0.49 -0.93 4.33 3.57 -0.22 -1.74 116.94 121.45 1s6i h PHE 68 Ca 0.23 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.88 1s6i h PHE 68 Cb 1.26 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 40.06 1s6i h PHE 68 CO 0.00 -0.31 0.54 0.82 -2.23 0.00 0.00 178.31 177.13 1s6i h ILE 69 N -0.63 0.75 0.00 1.41 1.08 -1.04 0.76 117.51 119.84 1s6i h ILE 69 Ca -0.05 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.12 1s6i h ILE 69 Cb 0.41 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1s6i h ILE 69 CO 0.09 0.13 -0.21 0.00 -0.69 0.00 0.00 178.15 177.48 1s6i h ALA 70 N 1.59 1.23 0.00 1.87 0.00 -1.46 -1.23 119.26 121.26 1s6i h ALA 70 Ca 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1s6i h ALA 70 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1s6i h ALA 70 CO -0.36 0.26 -0.95 0.00 0.00 0.00 0.00 179.25 178.21 1s6i n ALA 71 N -2.31 3.79 -0.01 0.00 0.00 0.11 -3.94 120.51 118.14 1s6i n ALA 71 Ca -0.01 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.76 1s6i n ALA 71 Cb 0.33 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 1s6i n ALA 71 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1s6i h THR 72 N 0.00 0.90 0.00 0.00 2.02 0.98 -3.31 112.91 113.50 1s6i h THR 72 Ca 0.00 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1s6i h THR 72 Cb 0.63 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1s6i h THR 72 CO 0.00 0.70 0.00 0.58 0.37 0.00 0.00 175.52 177.17 1s6i h VAL 73 N -0.31 0.00 -0.08 3.16 2.07 -1.43 -0.63 116.25 119.03 1s6i h VAL 73 Ca -0.34 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1s6i h VAL 73 Cb 1.76 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1s6i h VAL 73 CO 0.02 0.00 -0.13 -0.74 0.02 0.00 0.00 177.57 176.75 1s6i h HIS 74 N 0.00 0.27 -0.01 1.57 6.17 -1.68 -2.59 115.15 118.88 1s6i h HIS 74 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 60.99 1s6i h HIS 74 Cb 0.32 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.20 1s6i h HIS 74 CO 0.00 0.72 0.00 1.28 0.71 0.00 0.00 177.93 180.64 1s6i n LEU 75 N -4.63 0.28 -4.11 0.26 4.77 -0.93 -4.33 117.00 108.31 1s6i n LEU 75 Ca -0.08 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 1s6i n LEU 75 Cb 0.36 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1s6i n LEU 75 CO 0.38 0.05 0.83 -3.20 -1.33 0.00 0.00 177.39 174.11 1s6i n ASN 76 N -0.74 5.61 0.00 -1.43 4.05 -0.29 -4.91 115.26 117.55 1s6i n ASN 76 Ca 0.21 -3.23 0.00 0.00 0.45 0.00 0.00 54.58 52.01 1s6i n ASN 76 Cb 0.14 -1.24 0.00 0.00 1.23 0.00 0.00 39.78 39.91 1s6i n ASN 76 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1s6i n LYS 77 N 1.94 0.00 -2.59 1.20 2.85 -1.26 -4.87 118.16 115.44 1s6i n LYS 77 Ca 0.25 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 57.10 1s6i n LYS 77 Cb 0.36 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.76 1s6i n LYS 77 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1s6i n LEU 78 N 0.00 7.42 -4.80 -5.58 7.99 -1.26 -4.99 117.00 115.78 1s6i n LEU 78 Ca 0.00 -5.35 -0.30 0.00 -0.01 0.00 0.00 56.01 50.35 1s6i n LEU 78 Cb 0.00 -1.19 -0.06 0.00 -0.11 0.00 0.00 43.42 42.06 1s6i n LEU 78 CO 0.00 2.05 -0.24 -1.83 -1.51 0.00 0.00 177.39 175.86 1s6i s GLU 79 N -4.07 2.98 -0.29 3.23 1.03 -1.26 -5.10 118.70 115.22 1s6i s GLU 79 Ca 0.40 -0.66 -0.04 0.00 0.03 0.00 0.00 54.97 54.70 1s6i s GLU 79 Cb 0.19 -2.77 0.10 0.00 -0.80 0.00 0.00 34.13 30.84 1s6i s GLU 79 CO -0.13 0.57 0.13 0.50 -1.33 0.00 0.00 175.26 175.00 1s6i s ARG 80 N -2.47 0.23 -0.21 -4.83 3.52 -1.26 -4.95 118.95 108.97 1s6i s ARG 80 Ca 0.30 -0.56 0.08 0.00 -0.13 0.00 0.00 55.73 55.43 1s6i s ARG 80 Cb -0.12 -1.24 0.26 0.00 -1.56 0.00 0.00 34.95 32.28 1s6i s ARG 80 CO 0.23 -1.01 1.19 -0.85 -0.81 0.00 0.00 175.30 174.05 1s6i n GLU 81 N 5.22 0.86 -0.52 5.12 0.28 -1.26 -4.96 120.64 125.38 1s6i n GLU 81 Ca -0.06 -0.84 0.00 0.00 -0.16 0.00 0.00 57.16 56.10 1s6i n GLU 81 Cb 0.42 0.33 0.19 0.00 1.43 0.00 0.00 31.44 33.81 1s6i n GLU 81 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1s6i n GLU 82 N -0.98 2.79 0.00 3.44 1.02 -1.26 -4.26 120.64 121.39 1s6i n GLU 82 Ca -0.14 -1.67 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 1s6i n GLU 82 Cb 0.75 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1s6i n GLU 82 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1s6i n ASN 83 N 0.18 0.54 0.13 1.62 3.02 -1.26 -4.98 115.26 114.51 1s6i n ASN 83 Ca 0.18 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.88 1s6i n ASN 83 Cb 0.84 0.00 0.68 0.00 -0.61 0.00 0.00 39.78 40.69 1s6i n ASN 83 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s6i h LEU 84 N 0.00 0.00 -1.73 3.41 4.07 -1.97 -2.27 115.31 116.82 1s6i h LEU 84 Ca 0.00 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.28 1s6i h LEU 84 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1s6i h LEU 84 CO 0.00 0.00 0.96 1.62 -1.08 0.00 0.00 178.44 179.94 1s6i h VAL 85 N 0.00 0.22 -0.17 1.22 3.04 -1.94 0.68 116.25 119.31 1s6i h VAL 85 Ca 0.13 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.87 1s6i h VAL 85 Cb 0.53 0.28 -0.07 0.00 -2.01 0.00 0.00 31.29 30.03 1s6i h VAL 85 CO -0.00 0.00 -0.32 0.28 -1.01 0.00 0.00 177.57 176.51 1s6i h SER 86 N 0.00 -1.02 0.26 3.17 0.02 -1.58 -0.50 113.55 113.90 1s6i h SER 86 Ca 0.52 0.15 -0.34 0.00 -0.84 0.00 0.00 61.79 61.28 1s6i h SER 86 Cb 2.43 0.44 0.03 0.00 0.14 0.00 0.00 62.40 65.44 1s6i h SER 86 CO -0.01 -0.35 -1.54 0.00 -1.14 0.00 0.00 176.83 173.79 1s6i h ALA 87 N 0.46 -0.09 -0.43 3.77 0.00 -1.20 -3.21 119.26 118.56 1s6i h ALA 87 Ca 0.10 -0.92 0.12 0.00 0.00 0.00 0.00 54.91 54.22 1s6i h ALA 87 Cb 0.55 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1s6i h ALA 87 CO -0.38 0.77 0.80 0.35 0.00 0.00 0.00 179.25 180.79 1s6i h PHE 88 N 0.14 0.00 0.07 0.00 3.57 -0.76 1.78 116.94 121.74 1s6i h PHE 88 Ca -0.27 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 60.93 1s6i h PHE 88 Cb 2.16 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.87 1s6i h PHE 88 CO 0.12 0.00 -1.57 1.03 -2.23 0.00 0.00 178.31 175.66 1s6i h SER 89 N 0.00 0.24 0.00 0.41 0.87 -1.11 -3.26 113.55 110.70 1s6i h SER 89 Ca 0.20 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1s6i h SER 89 Cb 1.79 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1s6i h SER 89 CO -0.00 1.66 -0.30 0.22 -0.53 0.00 0.00 176.83 177.88 1s6i h TYR 90 N -0.44 0.00 0.16 2.24 3.20 0.25 -3.29 116.97 119.09 1s6i h TYR 90 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.51 1s6i h TYR 90 Cb 1.68 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.92 1s6i h TYR 90 CO 0.10 0.00 -0.40 0.74 -1.64 0.00 0.00 178.16 176.95 1s6i h PHE 91 N -0.64 -1.16 0.00 -3.82 -1.00 0.21 -0.15 116.94 110.37 1s6i h PHE 91 Ca 0.00 0.03 -0.36 0.00 2.81 0.00 0.00 57.97 60.45 1s6i h PHE 91 Cb 0.30 0.49 -0.01 0.00 3.61 0.00 0.00 35.95 40.33 1s6i h PHE 91 CO -0.13 -0.47 1.65 -0.25 -1.61 0.00 0.00 178.31 177.50 1s6i n ASP 92 N -4.77 5.74 -0.25 2.17 8.00 -0.49 -4.65 116.55 122.30 1s6i n ASP 92 Ca -0.07 -2.38 -0.02 0.00 0.71 0.00 0.00 54.79 53.02 1s6i n ASP 92 Cb 0.33 -1.26 0.04 0.00 -0.02 0.00 0.00 41.12 40.21 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1s6i h LYS 93 N 4.64 -0.09 0.00 -1.24 3.64 -1.09 0.81 116.57 123.25 1s6i h LYS 93 Ca 0.45 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1s6i h LYS 93 Cb 0.70 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1s6i h LYS 93 CO 1.00 -0.06 -0.06 0.22 -2.27 0.00 0.00 179.45 178.28 1s6i h ASP 94 N -0.09 0.00 -6.30 4.20 3.58 -1.85 -3.47 116.42 112.48 1s6i h ASP 94 Ca 0.29 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.40 1s6i h ASP 94 Cb 0.56 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.62 1s6i h ASP 94 CO -0.76 0.06 -0.76 0.61 -2.88 0.00 0.00 179.24 175.51 1s6i n GLY 95 N -0.19 -1.24 0.01 -0.78 0.00 0.28 -4.88 105.19 98.39 1s6i n GLY 95 Ca -0.00 0.54 0.01 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.36 3.89 0.00 1.61 3.41 -1.26 -4.99 113.62 113.92 1s6i n SER 96 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1s6i n SER 96 Cb 0.62 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 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 2.38 0.41 3.28 5.00 0.00 -1.26 -5.07 105.19 109.92 1s6i n GLY 97 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1s6i n GLY 97 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s6i s TYR 98 N -0.94 0.16 -0.26 1.61 -0.85 -1.26 -0.39 117.35 115.41 1s6i s TYR 98 Ca 0.00 -0.55 -0.02 0.00 -0.52 0.00 0.00 57.07 55.99 1s6i s TYR 98 Cb 0.00 0.01 0.08 0.00 0.38 0.00 0.00 41.96 42.44 1s6i s TYR 98 CO 0.00 -0.64 0.07 0.42 -1.52 0.00 0.00 175.55 173.88 1s6i s ILE 99 N -3.88 0.72 0.45 -3.49 1.01 0.97 -4.75 121.20 112.23 1s6i s ILE 99 Ca 0.09 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 1s6i s ILE 99 Cb 0.04 -1.40 -0.08 0.00 0.01 0.00 0.00 42.46 41.03 1s6i s ILE 99 CO -0.07 -0.48 1.11 0.42 0.00 0.00 0.00 174.94 175.92 1s6i s THR 100 N 1.73 3.41 0.35 2.92 -4.23 -1.26 0.38 115.64 118.94 1s6i s THR 100 Ca 0.05 1.02 0.28 0.00 -1.18 0.00 0.00 61.69 61.86 1s6i s THR 100 Cb -0.17 -3.50 0.43 0.00 1.34 0.00 0.00 72.50 70.60 1s6i s THR 100 CO -0.19 -0.05 1.14 0.00 -0.54 0.00 0.00 174.62 174.98 1s6i n LEU 101 N -0.49 0.10 0.13 4.79 -0.00 -0.84 0.11 117.00 120.80 1s6i n LEU 101 Ca 0.07 0.91 -0.14 0.00 -0.00 0.00 0.00 56.01 56.85 1s6i n LEU 101 Cb 0.49 -0.45 -0.06 0.00 -0.00 0.00 0.00 43.42 43.40 1s6i n LEU 101 CO 0.45 -0.96 0.64 0.44 -0.00 0.00 0.00 177.39 177.96 1s6i h ASP 102 N 0.00 -0.96 0.44 1.45 3.32 -1.88 0.50 116.42 119.29 1s6i h ASP 102 Ca 0.66 0.11 -0.13 0.00 0.02 0.00 0.00 57.03 57.69 1s6i h ASP 102 Cb 2.31 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 42.21 1s6i h ASP 102 CO -0.22 -0.43 -0.56 -0.33 -1.72 0.00 0.00 179.24 175.98 1s6i h GLU 103 N -0.58 0.13 0.35 3.56 5.08 0.47 -1.14 114.58 122.44 1s6i h GLU 103 Ca 0.02 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1s6i h GLU 103 Cb 0.60 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1s6i h GLU 103 CO -0.18 0.65 -0.17 0.82 -1.00 0.00 0.00 179.01 179.14 1s6i h ILE 104 N 0.10 0.00 -0.93 3.13 2.04 -0.75 -1.94 117.51 119.15 1s6i h ILE 104 Ca -0.00 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1s6i h ILE 104 Cb 1.01 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1s6i h ILE 104 CO 0.08 0.00 0.61 1.56 0.00 0.00 0.00 178.15 180.40 1s6i h GLN 105 N -0.60 1.09 -0.60 2.37 4.20 -0.10 -2.24 115.11 119.23 1s6i h GLN 105 Ca -0.05 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1s6i h GLN 105 Cb 0.36 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1s6i h GLN 105 CO 0.08 0.72 0.39 0.37 -0.67 0.00 0.00 178.83 179.72 1s6i h GLN 106 N 1.12 0.78 0.00 1.46 4.15 -1.26 -0.28 115.11 121.08 1s6i h GLN 106 Ca 0.38 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1s6i h GLN 106 Cb 0.09 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1s6i h GLN 106 CO -0.13 0.51 0.00 0.00 -1.93 0.00 0.00 178.83 177.28 1s6i n ALA 107 N -2.27 1.51 -2.05 3.38 0.00 -0.73 -2.08 120.51 118.28 1s6i n ALA 107 Ca 0.04 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 1s6i n ALA 107 Cb 0.03 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 18.43 1s6i n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i h LYS 109 N 2.36 0.86 0.00 0.00 2.10 -1.55 -0.17 116.57 120.17 1s6i h LYS 109 Ca 0.40 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.97 1s6i h LYS 109 Cb 1.09 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1s6i h LYS 109 CO 0.98 0.57 -0.16 0.22 -2.00 0.00 0.00 179.45 179.06 1s6i h ASP 110 N 0.89 0.00 0.43 7.07 3.58 -1.89 -2.79 116.42 123.72 1s6i h ASP 110 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1s6i h ASP 110 Cb -0.04 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1s6i h ASP 110 CO -0.06 0.16 0.00 0.49 -2.88 0.00 0.00 179.24 176.95 1s6i n PHE 111 N -3.21 0.00 -3.34 0.28 3.01 -0.09 -4.89 117.46 109.23 1s6i n PHE 111 Ca 0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.27 1s6i n PHE 111 Cb 0.48 -0.26 0.06 0.00 -0.01 0.00 0.00 39.48 39.76 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 0.85 -0.38 2.27 1.37 0.00 -1.05 -4.80 105.19 103.46 1s6i n GLY 112 Ca 0.13 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.27 -0.23 -4.26 0.99 -0.00 -1.21 -4.94 117.00 103.09 1s6i n LEU 113 Ca -0.02 0.75 -0.14 0.00 -0.00 0.00 0.00 56.01 56.60 1s6i n LEU 113 Cb 0.57 -0.61 -0.10 0.00 -0.00 0.00 0.00 43.42 43.28 1s6i n LEU 113 CO 0.54 -1.44 -0.28 -1.81 -0.00 0.00 0.00 177.39 174.39 1s6i s ASP 114 N -0.18 0.95 0.00 1.45 1.01 -1.26 -4.97 116.67 113.66 1s6i s ASP 114 Ca 0.55 -1.30 0.28 0.00 0.71 0.00 0.00 52.55 52.79 1s6i s ASP 114 Cb -0.77 0.19 1.16 0.00 1.01 0.00 0.00 42.92 44.51 1s6i s ASP 114 CO 0.37 -0.69 1.84 0.47 0.21 0.00 0.00 175.17 177.37 1s6i n ASP 115 N -0.32 0.20 -0.04 0.27 8.00 -1.26 -0.78 116.55 122.61 1s6i n ASP 115 Ca -0.02 -0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.44 1s6i n ASP 115 Cb 0.65 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 41.51 1s6i n ASP 115 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1s6i n ILE 116 N -1.33 0.85 -0.01 0.53 5.41 -1.26 -4.46 119.36 119.09 1s6i n ILE 116 Ca 0.10 0.32 -0.00 0.00 1.00 0.00 0.00 62.75 64.17 1s6i n ILE 116 Cb 0.31 -2.02 -0.00 0.00 -0.71 0.00 0.00 39.64 37.22 1s6i n ILE 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1s6i h HIS 117 N -0.59 0.00 0.00 1.39 3.86 -1.98 -3.32 115.15 114.51 1s6i h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1s6i h HIS 117 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1s6i h HIS 117 CO -0.16 0.00 0.35 0.82 0.86 0.00 0.00 177.93 179.80 1s6i h ILE 118 N -0.08 0.00 -0.09 2.45 1.08 -1.90 0.30 117.51 119.26 1s6i h ILE 118 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.41 1s6i h ILE 118 Cb 0.04 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1s6i h ILE 118 CO 0.00 0.00 -0.17 -0.78 -0.69 0.00 0.00 178.15 176.51 1s6i h ASP 119 N 0.00 0.31 0.16 1.72 3.58 -1.14 -2.57 116.42 118.47 1s6i h ASP 119 Ca 0.00 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1s6i h ASP 119 Cb 0.70 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 1s6i h ASP 119 CO 0.00 0.80 -0.07 -0.78 -2.88 0.00 0.00 179.24 176.30 1s6i h ASP 120 N -0.17 0.00 0.04 2.28 3.58 -0.54 0.05 116.42 121.65 1s6i h ASP 120 Ca 0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1s6i h ASP 120 Cb 0.74 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 1s6i h ASP 120 CO 0.04 0.07 -0.04 -0.03 -2.88 0.00 0.00 179.24 176.40 1s6i h MET 121 N 0.00 0.00 -0.67 0.28 4.05 -0.93 1.44 114.93 119.10 1s6i h MET 121 Ca -0.00 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1s6i h MET 121 Cb 0.18 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.93 1s6i h MET 121 CO 0.01 0.04 0.41 0.82 0.23 0.00 0.00 176.91 178.42 1s6i h ILE 122 N 0.00 1.07 0.00 1.77 2.04 -0.82 0.91 117.51 122.47 1s6i h ILE 122 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1s6i h ILE 122 Cb 0.07 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1s6i h ILE 122 CO 0.00 0.15 -0.46 0.29 0.00 0.00 0.00 178.15 178.13 1s6i n LYS 123 N -4.70 0.22 0.11 2.37 4.01 0.17 -1.02 118.16 119.32 1s6i n LYS 123 Ca 0.07 0.09 0.05 0.00 -0.51 0.00 0.00 58.31 58.01 1s6i n LYS 123 Cb 0.10 -1.66 0.01 0.00 -0.51 0.00 0.00 35.03 32.96 1s6i n LYS 123 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1s6i h GLU 124 N 0.00 0.00 0.00 1.97 4.81 0.45 -3.31 114.58 118.49 1s6i h GLU 124 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1s6i h GLU 124 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1s6i h GLU 124 CO 0.00 0.29 -1.67 -0.89 -0.73 0.00 0.00 179.01 176.01 1s6i n ILE 125 N -3.02 0.16 -1.69 2.32 2.08 0.29 -4.88 119.36 114.61 1s6i n ILE 125 Ca -0.01 -0.35 -0.33 0.00 0.56 0.00 0.00 62.75 62.61 1s6i n ILE 125 Cb 0.71 0.04 -0.04 0.00 -0.75 0.00 0.00 39.64 39.60 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1s6i s ASP 126 N -3.74 4.58 0.11 4.38 2.15 -0.19 -4.78 116.67 119.18 1s6i s ASP 126 Ca -0.05 0.71 0.25 0.00 0.43 0.00 0.00 52.55 53.88 1s6i s ASP 126 Cb 0.08 -2.52 0.47 0.00 -0.30 0.00 0.00 42.92 40.65 1s6i s ASP 126 CO 0.56 -2.89 1.42 1.67 -0.17 0.00 0.00 175.17 175.76 1s6i n GLN 127 N 9.02 0.23 0.00 4.34 0.00 -1.26 -4.58 117.38 125.14 1s6i n GLN 127 Ca 0.34 0.08 0.00 0.00 -0.00 0.00 0.00 57.00 57.43 1s6i n GLN 127 Cb 0.53 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.10 1s6i n GLN 127 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1s6i n ASP 128 N -2.01 2.91 0.00 1.69 5.68 -1.26 -5.06 116.55 118.49 1s6i n ASP 128 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1s6i n ASP 128 Cb 0.42 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1s6i n ASN 129 N -1.65 0.00 -0.44 -1.12 2.04 -1.26 -5.03 115.26 107.79 1s6i n ASN 129 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1s6i n ASN 129 Cb 0.31 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.56 1s6i n ASN 129 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1s6i n ASP 130 N 0.00 0.22 -3.49 0.53 9.92 -1.26 -4.75 116.55 117.72 1s6i n ASP 130 Ca 0.00 -0.49 -0.25 0.00 -0.53 0.00 0.00 54.79 53.52 1s6i n ASP 130 Cb 0.00 -0.11 0.04 0.00 -0.64 0.00 0.00 41.12 40.41 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s6i n GLY 131 N 0.30 -0.52 3.35 0.44 0.00 -1.26 -4.60 105.19 102.90 1s6i n GLY 131 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.18 1.48 -0.08 1.61 -2.07 -1.26 -1.98 119.66 111.17 1s6i s GLN 132 Ca 0.50 -1.81 -0.01 0.00 -1.82 0.00 0.00 55.36 52.23 1s6i s GLN 132 Cb -0.24 -0.36 0.03 0.00 -1.09 0.00 0.00 33.01 31.35 1s6i s GLN 132 CO 0.62 -0.29 -0.04 0.42 -1.32 0.00 0.00 175.29 174.68 1s6i s ILE 133 N -3.65 0.65 0.30 3.63 -1.09 0.16 -4.21 121.20 116.99 1s6i s ILE 133 Ca 0.37 -0.08 0.09 0.00 -2.23 0.00 0.00 60.65 58.80 1s6i s ILE 133 Cb 0.08 -0.73 -0.04 0.00 -1.58 0.00 0.00 42.46 40.18 1s6i s ILE 133 CO 0.14 0.30 0.05 1.51 -1.23 0.00 0.00 174.94 175.71 1s6i s ASP 134 N 1.67 4.53 0.52 3.58 -4.77 -1.26 0.32 116.67 121.26 1s6i s ASP 134 Ca 0.02 -0.74 0.46 0.00 -3.30 0.00 0.00 52.55 48.99 1s6i s ASP 134 Cb -0.13 -0.76 1.62 0.00 -1.09 0.00 0.00 42.92 42.57 1s6i s ASP 134 CO -0.05 -0.14 1.47 0.00 0.70 0.00 0.00 175.17 177.16 1s6i n TYR 135 N -0.99 0.05 -0.00 2.11 9.36 0.48 0.17 117.16 128.34 1s6i n TYR 135 Ca -0.05 0.05 -0.20 0.00 3.32 0.00 0.00 57.90 61.02 1s6i n TYR 135 Cb 0.60 -0.52 -0.14 0.00 -0.63 0.00 0.00 39.34 38.66 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 0.24 0.85 2.98 0.00 -1.81 -3.10 103.07 102.23 1s6i h GLY 136 Ca 0.89 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1s6i h GLY 136 CO -0.04 0.54 -0.05 0.83 0.00 0.00 0.00 176.54 177.81 1s6i h GLU 137 N -0.46 -0.15 0.00 4.80 5.08 0.14 0.32 114.58 124.31 1s6i h GLU 137 Ca -0.24 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1s6i h GLU 137 Cb 1.61 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1s6i h GLU 137 CO 0.05 0.04 0.16 0.35 -1.00 0.00 0.00 179.01 178.60 1s6i h PHE 138 N -0.30 0.00 0.17 4.33 3.57 0.13 0.81 116.94 125.64 1s6i h PHE 138 Ca -0.02 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.15 1s6i h PHE 138 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1s6i h PHE 138 CO -0.02 0.00 -1.70 0.00 -2.23 0.00 0.00 178.31 174.35 1s6i h ALA 139 N 1.66 0.19 0.00 2.41 0.00 -1.01 -3.36 119.26 119.14 1s6i h ALA 139 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1s6i h ALA 139 Cb 0.32 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1s6i h ALA 139 CO 0.00 1.01 -0.42 0.00 0.00 0.00 0.00 179.25 179.83 1s6i n ALA 140 N -2.90 3.09 0.83 0.00 0.00 0.94 -2.59 120.51 119.87 1s6i n ALA 140 Ca -0.26 -0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.02 1s6i n ALA 140 Cb 1.03 -1.22 0.45 0.00 0.00 0.00 0.00 19.45 19.72 1s6i n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n MET 141 N -1.71 0.21 0.00 0.00 3.85 0.26 -3.72 117.12 116.00 1s6i n MET 141 Ca 0.05 0.13 0.00 0.00 -1.00 0.00 0.00 57.70 56.88 1s6i n MET 141 Cb 0.37 -1.50 0.00 0.00 -1.05 0.00 0.00 33.22 31.04 1s6i n MET 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6i n MET 142 N -1.33 0.89 0.00 3.17 0.00 -1.25 -5.06 117.12 113.54 1s6i n MET 142 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 1s6i n MET 142 Cb 0.16 -0.63 0.00 0.00 0.00 0.00 0.00 33.22 32.76 1s6i n MET 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1s6i n ARG 143 N -0.98 2.28 -3.39 3.17 0.63 -1.07 -5.16 116.66 112.15 1s6i n ARG 143 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 1s6i n ARG 143 Cb 0.13 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.99 1s6i n ARG 143 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1s6i n LYS 144 N 0.00 0.70 -3.32 -0.14 5.02 -1.26 -4.76 118.16 114.40 1s6i n LYS 144 Ca 0.00 -2.00 -0.44 0.00 -2.02 0.00 0.00 58.31 53.86 1s6i n LYS 144 Cb 0.00 1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 36.13 1s6i n LYS 144 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1s6i n ARG 145 N -0.52 3.60 -1.13 1.97 -4.01 -1.26 -4.55 116.66 110.76 1s6i n ARG 145 Ca -0.03 -4.48 -0.35 0.00 -1.04 0.00 0.00 57.85 51.95 1s6i n ARG 145 Cb 0.35 -2.53 0.09 0.00 -3.04 0.00 0.00 32.46 27.34 1s6i n ARG 145 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1s6i n LYS 146 N 2.40 0.16 0.00 2.89 4.01 -1.26 -4.90 118.16 121.46 1s6i n LYS 146 Ca 0.24 0.11 0.14 0.00 -0.51 0.00 0.00 58.31 58.29 1s6i n LYS 146 Cb 0.38 -2.00 0.56 0.00 -0.51 0.00 0.00 35.03 33.46 1s6i n LYS 146 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1s6i n GLY 147 N 1.34 -0.86 3.87 0.72 0.00 -1.26 -4.62 105.19 104.38 1s6i n GLY 147 Ca 0.10 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1s6i n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6i s ASN 148 N -2.48 5.90 0.62 1.61 2.20 -1.26 -4.91 114.94 116.63 1s6i s ASN 148 Ca 0.28 1.32 0.25 0.00 -0.94 0.00 0.00 52.86 53.77 1s6i s ASN 148 Cb 0.20 -2.27 1.18 0.00 -2.00 0.00 0.00 41.25 38.36 1s6i s ASN 148 CO 0.48 -1.07 1.63 1.23 -2.94 0.00 0.00 177.10 176.44 1s6i h GLY 149 N -0.46 0.00 -0.79 0.45 0.00 -2.04 -1.99 103.07 98.24 1s6i h GLY 149 Ca -0.44 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.19 1s6i h GLY 149 CO 0.62 0.00 1.10 -1.33 0.00 0.00 0.00 176.54 176.94 1s6i h GLY 150 N 0.00 0.00 -3.29 4.60 0.00 -1.91 -3.42 103.07 99.05 1s6i h GLY 150 Ca 0.22 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.96 1s6i h GLY 150 CO -0.00 0.00 -0.38 1.39 0.00 0.00 0.00 176.54 177.55 1s6i n ILE 151 N -3.43 2.18 -1.49 2.60 5.41 -0.75 -4.89 119.36 118.98 1s6i n ILE 151 Ca 0.23 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1s6i n ILE 151 Cb 1.43 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 39.68 1s6i n ILE 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s6i n GLY 152 N 1.76 1.00 3.30 7.39 0.00 -1.26 -4.97 105.19 112.41 1s6i n GLY 152 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1s6i n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6i n ARG 153 N 0.00 -1.97 -2.34 1.61 3.00 -1.26 -3.45 116.66 112.26 1s6i n ARG 153 Ca 0.00 -0.56 -0.35 0.00 -0.01 0.00 0.00 57.85 56.93 1s6i n ARG 153 Cb 0.14 -1.78 -0.01 0.00 0.00 0.00 0.00 32.46 30.80 1s6i n ARG 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1s6i s ARG 154 N -3.67 3.58 -0.56 5.56 6.06 -1.26 -4.80 118.95 123.86 1s6i s ARG 154 Ca 0.58 1.59 -0.14 0.00 -2.50 0.00 0.00 55.73 55.26 1s6i s ARG 154 Cb -0.14 -2.14 -0.12 0.00 0.06 0.00 0.00 34.95 32.61 1s6i s ARG 154 CO 0.65 -0.65 1.58 2.41 -2.50 0.00 0.00 175.30 176.78 1s6i n THR 155 N -0.99 0.00 -0.03 4.11 -1.04 -1.26 -1.85 114.28 113.22 1s6i n THR 155 Ca 0.10 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1s6i n THR 155 Cb 0.51 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1s6i n THR 155 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1s6i n MET 156 N 6.37 0.00 0.18 -2.82 0.00 -1.26 -4.94 117.12 114.65 1s6i n MET 156 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 57.70 58.04 1s6i n MET 156 Cb 0.48 0.00 0.63 0.00 0.00 0.00 0.00 33.22 34.33 1s6i n MET 156 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 1s6i h ARG 157 N 0.00 0.00 0.00 2.12 -0.00 -1.69 -3.43 114.38 111.37 1s6i h ARG 157 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1s6i h ARG 157 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1s6i h ARG 157 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 179.97 181.14 1s6i n LYS 158 N -2.38 0.00 0.00 0.08 3.00 -1.26 -5.07 118.16 112.53 1s6i n LYS 158 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1s6i n LYS 158 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.13 1s6i n LYS 158 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1s6i n THR 159 N -0.27 0.00 -1.81 3.15 5.66 -1.26 -5.15 114.28 114.61 1s6i n THR 159 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1s6i n THR 159 Cb 0.00 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 68.99 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 -2.04 2.42 0.00 1.09 1.43 -1.26 -4.91 118.68 115.41 1s6i s LEU 160 Ca 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1s6i s LEU 160 Cb 0.00 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1s6i s LEU 160 CO 0.00 -3.10 0.00 -3.20 0.23 0.00 0.00 176.35 170.28 1s6i n ASN 161 N -4.00 0.00 -3.61 2.29 5.15 -1.26 -4.61 115.26 109.22 1s6i n ASN 161 Ca 0.16 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.09 1s6i n ASN 161 Cb 0.59 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.81 1s6i n ASN 161 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1s6i s LEU 162 N 0.00 -0.16 0.05 1.20 2.96 -1.26 -4.83 118.68 116.64 1s6i s LEU 162 Ca 0.00 0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 1s6i s LEU 162 Cb 0.00 1.41 -0.06 0.00 0.50 0.00 0.00 46.19 48.03 1s6i s LEU 162 CO 0.00 -0.20 0.55 -0.60 -1.32 0.00 0.00 176.35 174.78 1s6i s ARG 163 N -1.66 4.19 0.38 1.98 3.52 -1.26 -5.06 118.95 121.03 1s6i s ARG 163 Ca 0.07 0.69 -0.24 0.00 -0.13 0.00 0.00 55.73 56.11 1s6i s ARG 163 Cb -0.01 -3.26 -0.10 0.00 -1.56 0.00 0.00 34.95 30.02 1s6i s ARG 163 CO -0.04 0.59 0.99 -0.51 -0.81 0.00 0.00 175.30 175.51 1s6i s ASP 164 N -0.90 7.02 0.97 -2.12 1.01 -1.26 -5.04 116.67 116.35 1s6i s ASP 164 Ca 0.29 1.89 -0.12 0.00 0.71 0.00 0.00 52.55 55.32 1s6i s ASP 164 Cb -0.19 -2.57 0.17 0.00 1.01 0.00 0.00 42.92 41.34 1s6i s ASP 164 CO 0.18 -0.30 1.09 0.00 0.21 0.00 0.00 175.17 176.35 1s6i s ALA 165 N -1.74 1.03 -1.00 5.23 0.00 -1.26 -4.96 121.76 119.06 1s6i s ALA 165 Ca 0.56 0.06 0.23 0.00 0.00 0.00 0.00 51.96 52.80 1s6i s ALA 165 Cb -0.18 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 19.83 1s6i s ALA 165 CO 0.23 -2.81 1.16 1.47 0.00 0.00 0.00 175.76 175.82 1s6i n LEU 166 N -4.21 0.74 0.00 0.00 -0.00 -1.26 -5.03 117.00 107.24 1s6i n LEU 166 Ca 0.07 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 1s6i n LEU 166 Cb 0.54 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1s6i n LEU 166 CO 0.55 0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.73 1s6i n GLY 167 N 1.50 4.32 3.86 1.47 0.00 -1.26 -5.13 105.19 109.96 1s6i n GLY 167 Ca 0.05 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1s6i n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6i s LEU 168 N 0.00 4.36 0.10 0.99 1.43 -1.26 -5.10 118.68 119.19 1s6i s LEU 168 Ca 0.00 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.61 1s6i s LEU 168 Cb 0.00 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1s6i s LEU 168 CO 0.00 0.39 -0.08 0.68 0.23 0.00 0.00 176.35 177.57 1s6i s VAL 169 N -0.91 3.53 0.07 -1.59 -7.23 -1.26 -5.13 120.40 107.88 1s6i s VAL 169 Ca 0.14 -1.19 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 1s6i s VAL 169 Cb -0.12 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.22 1s6i s VAL 169 CO 0.03 0.12 0.52 1.51 -0.31 0.00 0.00 175.10 176.98 1s6i s ASP 170 N -2.21 -0.44 -0.28 4.85 1.47 -1.26 -5.08 116.67 113.73 1s6i s ASP 170 Ca 0.22 0.10 -0.13 0.00 1.18 0.00 0.00 52.55 53.92 1s6i s ASP 170 Cb -0.11 0.51 -0.12 0.00 -0.34 0.00 0.00 42.92 42.86 1s6i s ASP 170 CO 0.15 -0.78 -0.35 -3.20 0.68 0.00 0.00 175.17 171.67 1s6i n ASN 171 N 0.21 1.94 0.00 2.11 4.05 -1.26 -5.13 115.26 117.18 1s6i n ASN 171 Ca -0.18 0.32 0.00 0.00 0.45 0.00 0.00 54.58 55.17 1s6i n ASN 171 Cb 0.61 -0.79 0.00 0.00 1.23 0.00 0.00 39.78 40.83 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1s6i n GLY 172 N 1.31 -2.76 3.82 8.20 0.00 -1.26 -5.09 105.19 109.41 1s6i n GLY 172 Ca -0.54 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 43.43 1s6i n GLY 172 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s6i s SER 173 N -2.38 -0.11 0.25 1.61 1.04 -1.26 -5.19 113.70 107.66 1s6i s SER 173 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1s6i s SER 173 Cb 0.00 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.91 1s6i s SER 173 CO 0.00 -1.52 0.01 0.59 0.98 0.00 0.00 173.24 173.30 1s6i n ASN 174 N -0.95 2.66 -4.39 7.02 3.02 -1.26 -5.11 115.26 116.25 1s6i n ASN 174 Ca -0.06 -2.10 -0.43 0.00 -0.03 0.00 0.00 54.58 51.97 1s6i n ASN 174 Cb 0.60 0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.84 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1s6i s GLN 175 N -2.92 2.89 0.00 3.52 0.74 -1.26 -5.06 119.66 117.58 1s6i s GLN 175 Ca 0.01 -1.19 0.05 0.00 0.05 0.00 0.00 55.36 54.28 1s6i s GLN 175 Cb -0.00 -3.95 -0.01 0.00 1.10 0.00 0.00 33.01 30.15 1s6i s GLN 175 CO 0.00 -0.85 -0.16 0.14 -0.55 0.00 0.00 175.29 173.88 1s6i s VAL 176 N 1.61 1.25 -0.08 1.34 -7.23 -1.26 -5.14 120.40 110.88 1s6i s VAL 176 Ca 0.04 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.47 1s6i s VAL 176 Cb -0.21 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.68 1s6i s VAL 176 CO 0.07 0.27 -0.19 -0.51 -0.31 0.00 0.00 175.10 174.44 1s6i s ILE 177 N -0.49 1.65 0.00 -0.62 1.10 -1.26 -5.13 121.20 116.45 1s6i s ILE 177 Ca 0.05 -0.78 0.03 0.00 -0.51 0.00 0.00 60.65 59.44 1s6i s ILE 177 Cb -0.07 -1.45 -0.01 0.00 0.15 0.00 0.00 42.46 41.08 1s6i s ILE 177 CO -0.00 0.47 -0.10 -0.70 -2.11 0.00 0.00 174.94 172.50 1s6i s GLU 178 N 0.47 0.78 0.09 3.50 2.12 -1.26 -4.98 118.70 119.42 1s6i s GLU 178 Ca -0.17 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1s6i s GLU 178 Cb -0.17 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.47 1s6i s GLU 178 CO 0.07 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 1s6i n GLY 179 N 2.64 -1.85 0.01 -1.50 0.00 -1.26 -4.95 105.19 98.28 1s6i n GLY 179 Ca -0.15 0.57 0.11 0.00 0.00 0.00 0.00 46.02 46.55 1s6i n GLY 179 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s6i n TYR 180 N -2.46 0.10 -4.61 1.61 4.02 -1.26 -4.90 117.16 109.67 1s6i n TYR 180 Ca 0.00 0.03 -0.34 0.00 -0.01 0.00 0.00 57.90 57.58 1s6i n TYR 180 Cb 0.00 -0.26 -0.12 0.00 -0.02 0.00 0.00 39.34 38.94 1s6i n TYR 180 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1s6i s PHE 181 N -3.15 2.93 0.00 -0.72 5.36 -1.26 -5.34 117.98 115.81 1s6i s PHE 181 Ca 0.04 -0.12 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1s6i s PHE 181 Cb 0.15 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 41.06 1s6i s PHE 181 CO 0.83 0.19 0.00 0.36 -1.46 0.00 0.00 175.22 175.14