#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 3.52 0.00 0.00 1.02 -1.26 -4.59 120.64 119.34 1s6i n GLU 2 Ca 0.00 -4.24 0.00 0.00 -0.02 0.00 0.00 57.16 52.90 1s6i n GLU 2 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 1s6i n GLU 2 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1s6i n ARG 3 N -0.64 0.00 -3.46 3.49 1.85 -1.26 -5.06 116.66 111.57 1s6i n ARG 3 Ca 0.42 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.84 1s6i n ARG 3 Cb 0.88 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.22 1s6i n ARG 3 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1s6i s LEU 4 N 0.00 5.89 0.88 2.89 1.43 -1.26 -5.08 118.68 123.43 1s6i s LEU 4 Ca 0.00 -1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 51.08 1s6i s LEU 4 Cb 0.00 -2.08 0.12 0.00 0.03 0.00 0.00 46.19 44.25 1s6i s LEU 4 CO 0.00 -0.75 1.11 -0.44 0.23 0.00 0.00 176.35 176.50 1s6i s SER 5 N 2.97 3.74 0.00 2.29 0.01 -1.26 -5.03 113.70 116.41 1s6i s SER 5 Ca 0.05 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1s6i s SER 5 Cb -0.27 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1s6i s SER 5 CO 0.00 -2.44 0.00 -0.62 0.41 0.00 0.00 173.24 170.59 1s6i n GLU 6 N -3.73 2.18 0.07 12.44 -0.58 -1.26 -5.01 120.64 124.75 1s6i n GLU 6 Ca 0.07 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.91 1s6i n GLU 6 Cb 0.57 0.00 0.42 0.00 -0.57 0.00 0.00 31.44 31.86 1s6i n GLU 6 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1s6i n GLU 7 N 0.00 0.10 0.13 3.49 -0.00 -1.26 -2.98 120.64 120.12 1s6i n GLU 7 Ca 0.00 0.31 0.15 0.00 -0.00 0.00 0.00 57.16 57.63 1s6i n GLU 7 Cb 0.00 -1.69 0.70 0.00 -0.00 0.00 0.00 31.44 30.45 1s6i n GLU 7 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1s6i h GLU 8 N 0.00 0.00 0.01 3.44 4.11 -1.95 -0.26 114.58 119.93 1s6i h GLU 8 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1s6i h GLU 8 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1s6i h GLU 8 CO 0.00 0.00 -0.91 0.97 0.07 0.00 0.00 179.01 179.14 1s6i h ILE 9 N 0.00 1.60 -2.75 -1.06 2.10 -1.96 -3.41 117.51 112.03 1s6i h ILE 9 Ca 0.13 -2.97 -0.40 0.00 1.08 0.00 0.00 64.86 62.70 1s6i h ILE 9 Cb 0.56 2.63 -0.38 0.00 -1.09 0.00 0.00 36.82 38.54 1s6i h ILE 9 CO -0.00 0.85 -0.70 -0.83 -1.08 0.00 0.00 178.15 176.39 1s6i s GLY 10 N -4.61 0.20 0.00 8.18 0.00 -0.11 -4.85 107.32 106.12 1s6i s GLY 10 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.54 1s6i s GLY 10 CO 0.81 1.99 0.00 0.61 0.00 0.00 0.00 173.10 176.52 1s6i n GLY 11 N 5.29 0.95 0.12 0.20 0.00 -1.20 -4.72 105.19 105.83 1s6i n GLY 11 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 0.25 -0.84 0.99 5.85 -1.80 -2.46 115.31 117.30 1s6i h LEU 12 Ca 0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1s6i h LEU 12 Cb 0.00 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1s6i h LEU 12 CO 0.00 1.01 0.54 0.07 -0.34 0.00 0.00 178.44 179.72 1s6i h LYS 13 N 0.10 1.13 0.00 1.25 2.10 -1.95 0.27 116.57 119.47 1s6i h LYS 13 Ca -0.04 -0.08 -0.06 0.00 -2.00 0.00 0.00 60.65 58.46 1s6i h LYS 13 Cb 1.51 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1s6i h LYS 13 CO 0.13 0.77 -0.31 1.49 -2.00 0.00 0.00 179.45 179.53 1s6i h GLU 14 N 1.15 0.00 -0.07 0.07 4.81 -1.97 -2.00 114.58 116.57 1s6i h GLU 14 Ca 0.31 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.39 1s6i h GLU 14 Cb -0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1s6i h GLU 14 CO -0.06 0.31 -0.61 1.25 -0.73 0.00 0.00 179.01 179.16 1s6i h LEU 15 N 0.00 0.28 0.02 1.64 5.85 -0.20 0.31 115.31 123.21 1s6i h LEU 15 Ca -0.00 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1s6i h LEU 15 Cb 0.64 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1s6i h LEU 15 CO 0.04 0.82 -0.01 0.15 -0.34 0.00 0.00 178.44 179.11 1s6i h PHE 16 N 0.18 -0.02 0.00 1.25 3.57 0.12 -1.68 116.94 120.35 1s6i h PHE 16 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1s6i h PHE 16 Cb 1.12 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1s6i h PHE 16 CO 0.02 0.21 0.00 1.57 -2.23 0.00 0.00 178.31 177.88 1s6i h LYS 17 N -0.26 0.00 0.00 1.11 2.10 -1.43 -1.55 116.57 116.55 1s6i h LYS 17 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1s6i h LYS 17 Cb 0.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.57 1s6i h LYS 17 CO 0.00 0.00 -0.02 1.98 -2.00 0.00 0.00 179.45 179.41 1s6i h MET 18 N 0.00 0.00 0.00 0.07 4.05 0.55 -3.25 114.93 116.35 1s6i h MET 18 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1s6i h MET 18 Cb 0.51 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1s6i h MET 18 CO 0.00 0.02 -0.05 0.82 0.23 0.00 0.00 176.91 177.93 1s6i h ILE 19 N 0.00 0.00 -0.87 1.77 1.08 -0.79 -3.40 117.51 115.30 1s6i h ILE 19 Ca -0.00 -0.78 -0.74 0.00 -0.39 0.00 0.00 64.86 62.95 1s6i h ILE 19 Cb 0.52 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.16 1s6i h ILE 19 CO 0.00 0.00 2.43 -0.90 -0.69 0.00 0.00 178.15 178.99 1s6i n ASP 20 N -4.17 4.63 -0.12 1.72 5.68 -1.22 -4.16 116.55 118.92 1s6i n ASP 20 Ca -0.01 -3.00 0.13 0.00 -0.50 0.00 0.00 54.79 51.41 1s6i n ASP 20 Cb 0.03 -1.55 0.45 0.00 -1.14 0.00 0.00 41.12 38.91 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 4.06 0.00 0.00 2.12 5.66 -1.24 -3.77 114.28 121.11 1s6i n THR 21 Ca 0.44 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 1s6i n THR 21 Cb 0.38 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -1.02 2.00 0.00 1.09 5.75 -1.26 -4.96 116.55 118.15 1s6i n ASP 22 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1s6i n ASP 22 Cb 0.32 0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 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 -0.81 0.00 0.00 -1.12 4.05 -1.26 -4.97 115.26 111.15 1s6i n ASN 23 Ca 0.00 0.39 0.00 0.00 0.45 0.00 0.00 54.58 55.42 1s6i n ASN 23 Cb 0.08 -0.18 0.00 0.00 1.23 0.00 0.00 39.78 40.91 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 -1.05 0.00 0.00 1.20 3.41 -1.26 -4.97 113.62 110.95 1s6i n SER 24 Ca 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 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 1.99 3.05 5.00 0.00 -1.25 -5.12 105.19 108.87 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 0.06 -0.46 2.61 -4.23 -1.26 -4.81 115.64 105.55 1s6i s THR 26 Ca 0.00 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 59.92 1s6i s THR 26 Cb 0.00 -0.32 0.08 0.00 1.34 0.00 0.00 72.50 73.60 1s6i s THR 26 CO 0.00 -0.26 0.35 -0.63 -0.54 0.00 0.00 174.62 173.54 1s6i s ILE 27 N -0.87 4.75 0.35 2.99 1.01 0.67 -4.52 121.20 125.57 1s6i s ILE 27 Ca -0.10 -1.29 0.07 0.00 0.00 0.00 0.00 60.65 59.33 1s6i s ILE 27 Cb -0.06 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1s6i s ILE 27 CO 0.01 -0.59 0.39 0.42 0.00 0.00 0.00 174.94 175.17 1s6i s THR 28 N 1.53 3.62 0.35 2.92 -4.23 -1.25 0.21 115.64 118.78 1s6i s THR 28 Ca 0.04 -1.19 0.29 0.00 -1.18 0.00 0.00 61.69 59.64 1s6i s THR 28 Cb -0.24 -3.24 0.44 0.00 1.34 0.00 0.00 72.50 70.80 1s6i s THR 28 CO 0.04 -0.14 1.12 0.33 -0.54 0.00 0.00 174.62 175.43 1s6i n PHE 29 N -1.53 0.28 -0.06 3.99 -0.00 -0.99 0.14 117.46 119.28 1s6i n PHE 29 Ca 0.00 0.28 -0.10 0.00 -0.00 0.00 0.00 57.45 57.63 1s6i n PHE 29 Cb 0.59 -0.66 -0.10 0.00 -0.00 0.00 0.00 39.48 39.32 1s6i n PHE 29 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1s6i h ASP 30 N 0.00 -0.01 0.97 -2.13 3.58 -1.92 -3.32 116.42 113.59 1s6i h ASP 30 Ca 0.65 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1s6i h ASP 30 Cb 2.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.40 1s6i h ASP 30 CO -0.19 0.84 0.00 -0.62 -2.88 0.00 0.00 179.24 176.39 1s6i n GLU 31 N -4.67 0.19 0.16 0.28 1.02 0.21 -2.18 120.64 115.65 1s6i n GLU 31 Ca -0.07 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 1s6i n GLU 31 Cb 0.35 -1.81 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 1s6i n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s6i h LEU 32 N 0.00 -0.97 -0.01 -4.62 7.12 0.11 -0.27 115.31 116.67 1s6i h LEU 32 Ca 0.00 0.10 -0.16 0.00 0.13 0.00 0.00 57.88 57.95 1s6i h LEU 32 Cb 0.48 0.35 0.01 0.00 -0.53 0.00 0.00 40.66 40.98 1s6i h LEU 32 CO 0.00 -0.45 -0.61 0.07 -0.13 0.00 0.00 178.44 177.32 1s6i h LYS 33 N -0.63 0.43 -0.32 1.25 2.10 -1.70 -2.63 116.57 115.07 1s6i h LYS 33 Ca 0.01 -0.45 0.03 0.00 -2.00 0.00 0.00 60.65 58.24 1s6i h LYS 33 Cb 0.62 0.12 -0.05 0.00 -0.90 0.00 0.00 32.23 32.03 1s6i h LYS 33 CO -0.14 1.11 -0.27 0.22 -2.00 0.00 0.00 179.45 178.37 1s6i h ASP 34 N -0.06 -0.94 0.06 7.07 3.58 -1.28 1.20 116.42 126.05 1s6i h ASP 34 Ca -0.07 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1s6i h ASP 34 Cb 1.31 0.40 0.00 0.00 1.72 0.00 0.00 39.33 42.76 1s6i h ASP 34 CO 0.12 -0.15 -0.03 1.23 -2.88 0.00 0.00 179.24 177.53 1s6i h GLY 35 N -0.10 -0.09 0.48 -0.78 0.00 -1.17 -0.22 103.07 101.19 1s6i h GLY 35 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1s6i h GLY 35 CO -0.35 -0.03 -0.23 -2.00 0.00 0.00 0.00 176.54 173.92 1s6i h LEU 36 N -0.19 -0.55 -1.88 3.11 7.12 -1.06 -2.67 115.31 119.19 1s6i h LEU 36 Ca -0.01 0.02 0.09 0.00 0.13 0.00 0.00 57.88 58.11 1s6i h LEU 36 Cb 0.17 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.43 1s6i h LEU 36 CO 0.01 -0.38 0.47 0.50 -0.13 0.00 0.00 178.44 178.91 1s6i h LYS 37 N -0.66 0.00 -0.68 1.25 3.64 0.14 -1.45 116.57 118.80 1s6i h LYS 37 Ca -0.07 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1s6i h LYS 37 Cb 0.49 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1s6i h LYS 37 CO 0.11 0.00 0.40 -0.09 -2.27 0.00 0.00 179.45 177.60 1s6i h ARG 38 N 0.00 0.75 -0.72 1.90 2.43 -0.66 -1.70 114.38 116.37 1s6i h ARG 38 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1s6i h ARG 38 Cb 1.09 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1s6i h ARG 38 CO -0.00 0.49 0.00 1.33 -1.51 0.00 0.00 179.97 180.28 1s6i n VAL 39 N -4.73 0.05 0.00 0.20 0.24 -0.55 -4.68 118.33 108.86 1s6i n VAL 39 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1s6i n VAL 39 Cb 0.13 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 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 0.20 1.91 3.70 7.63 0.00 -0.67 -5.06 105.19 112.90 1s6i n GLY 40 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.46 3.70 -0.21 1.61 0.01 -1.03 -4.99 113.70 111.33 1s6i s SER 41 Ca 0.00 2.39 -0.04 0.00 1.31 0.00 0.00 55.95 59.61 1s6i s SER 41 Cb 0.00 -2.59 0.07 0.00 0.21 0.00 0.00 66.02 63.71 1s6i s SER 41 CO 0.00 -2.60 0.09 -1.83 0.41 0.00 0.00 173.24 169.31 1s6i s GLU 42 N -4.07 0.24 0.30 12.44 -1.05 -1.26 -4.19 118.70 121.11 1s6i s GLU 42 Ca 0.74 -0.30 0.06 0.00 -0.15 0.00 0.00 54.97 55.33 1s6i s GLU 42 Cb -0.29 -1.74 -0.06 0.00 -0.44 0.00 0.00 34.13 31.59 1s6i s GLU 42 CO 0.49 -0.76 -0.03 -0.51 0.95 0.00 0.00 175.26 175.40 1s6i s LEU 43 N 2.05 2.47 0.32 1.83 1.43 -1.26 -5.08 118.68 120.45 1s6i s LEU 43 Ca 0.03 -1.24 0.08 0.00 -1.03 0.00 0.00 54.13 51.98 1s6i s LEU 43 Cb -0.16 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1s6i s LEU 43 CO -0.16 -0.39 0.12 -0.04 0.23 0.00 0.00 176.35 176.11 1s6i s MET 44 N -3.75 2.38 0.05 1.70 -1.94 -1.26 -4.96 119.30 111.52 1s6i s MET 44 Ca 0.31 -1.51 -0.15 0.00 -1.71 0.00 0.00 55.69 52.63 1s6i s MET 44 Cb 0.05 -2.18 -0.06 0.00 2.01 0.00 0.00 34.83 34.65 1s6i s MET 44 CO 0.13 0.17 1.24 0.93 -0.01 0.00 0.00 175.02 177.48 1s6i h GLU 45 N 1.61 -0.26 -0.07 2.03 5.08 -1.99 0.16 114.58 121.13 1s6i h GLU 45 Ca -0.44 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1s6i h GLU 45 Cb 1.25 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1s6i h GLU 45 CO 0.63 -0.18 0.57 0.77 -1.00 0.00 0.00 179.01 179.80 1s6i h SER 46 N -0.27 0.00 0.16 1.42 0.02 -1.98 0.60 113.55 113.50 1s6i h SER 46 Ca 0.01 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.75 1s6i h SER 46 Cb 0.31 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.87 1s6i h SER 46 CO -0.18 0.00 -0.94 -0.33 -1.14 0.00 0.00 176.83 174.24 1s6i h GLU 47 N 0.00 0.33 0.15 3.45 5.08 -1.18 -1.11 114.58 121.31 1s6i h GLU 47 Ca 0.04 -0.57 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1s6i h GLU 47 Cb 1.18 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1s6i h GLU 47 CO -0.00 1.27 -0.28 0.82 -1.00 0.00 0.00 179.01 179.82 1s6i h ILE 48 N -0.29 0.40 -0.11 3.13 5.03 0.22 0.16 117.51 126.04 1s6i h ILE 48 Ca -0.17 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.60 1s6i h ILE 48 Cb 1.73 0.40 -0.00 0.00 -3.03 0.00 0.00 36.82 35.91 1s6i h ILE 48 CO 0.17 0.00 0.08 0.50 -0.68 0.00 0.00 178.15 178.22 1s6i h LYS 49 N -0.51 0.00 0.23 2.37 3.64 -1.24 -2.09 116.57 118.96 1s6i h LYS 49 Ca 0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1s6i h LYS 49 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1s6i h LYS 49 CO -0.14 0.00 -0.11 0.22 -2.27 0.00 0.00 179.45 177.15 1s6i h ASP 50 N 0.00 -0.26 -0.62 4.20 3.58 0.44 -2.41 116.42 121.36 1s6i h ASP 50 Ca 0.05 -0.24 0.14 0.00 0.42 0.00 0.00 57.03 57.40 1s6i h ASP 50 Cb 0.22 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1s6i h ASP 50 CO -0.00 0.14 0.42 0.25 -2.88 0.00 0.00 179.24 177.17 1s6i h LEU 51 N -0.71 0.20 0.17 2.28 6.46 -0.16 0.11 115.31 123.66 1s6i h LEU 51 Ca -0.03 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1s6i h LEU 51 Cb 0.49 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1s6i h LEU 51 CO 0.05 0.11 -0.08 0.24 -0.62 0.00 0.00 178.44 178.14 1s6i h MET 52 N 0.22 -0.22 0.00 1.25 2.86 -1.27 0.29 114.93 118.06 1s6i h MET 52 Ca 0.30 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1s6i h MET 52 Cb 0.86 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1s6i h MET 52 CO -0.06 -0.15 0.00 0.22 1.06 0.00 0.00 176.91 177.98 1s6i h ASP 53 N -0.49 0.00 0.29 1.22 1.82 -1.37 1.21 116.42 119.10 1s6i h ASP 53 Ca -0.02 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.29 1s6i h ASP 53 Cb 0.18 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.15 1s6i h ASP 53 CO 0.04 0.00 -1.92 0.00 -1.61 0.00 0.00 179.24 175.75 1s6i n ALA 54 N -2.02 1.28 -0.01 -0.78 0.00 0.37 -4.75 120.51 114.60 1s6i n ALA 54 Ca -0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 53.44 52.64 1s6i n ALA 54 Cb 0.18 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.77 2.30 -1.52 0.00 0.00 0.99 -4.97 120.51 114.54 1s6i n ALA 55 Ca -0.25 -0.07 -0.38 0.00 0.00 0.00 0.00 53.44 52.73 1s6i n ALA 55 Cb 1.06 0.47 -0.11 0.00 0.00 0.00 0.00 19.45 20.86 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 -2.75 0.91 0.12 0.00 2.03 0.41 -4.70 116.55 112.58 1s6i n ASP 56 Ca -0.03 -0.11 0.19 0.00 0.52 0.00 0.00 54.79 55.36 1s6i n ASP 56 Cb 0.53 -1.14 0.67 0.00 -0.72 0.00 0.00 41.12 40.47 1s6i n ASP 56 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s6i h ILE 57 N 7.86 0.20 -0.96 5.18 1.08 -1.86 -0.51 117.51 128.51 1s6i h ILE 57 Ca -0.11 0.00 -0.43 0.00 -0.39 0.00 0.00 64.86 63.93 1s6i h ILE 57 Cb 1.28 0.52 -0.41 0.00 -3.07 0.00 0.00 36.82 35.14 1s6i h ILE 57 CO 1.32 0.00 -0.98 -0.67 -0.69 0.00 0.00 178.15 177.13 1s6i n ASP 58 N -3.37 3.05 -2.70 1.72 -0.08 -1.26 -5.05 116.55 108.86 1s6i n ASP 58 Ca 0.07 -3.03 -0.15 0.00 -1.51 0.00 0.00 54.79 50.16 1s6i n ASP 58 Cb 0.72 -0.46 -0.13 0.00 2.34 0.00 0.00 41.12 43.59 1s6i n ASP 58 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1s6i n LYS 59 N -0.43 0.00 -0.20 -0.67 3.00 -0.20 -4.62 118.16 115.04 1s6i n LYS 59 Ca 0.24 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.60 1s6i n LYS 59 Cb 0.80 -0.66 0.08 0.00 0.00 0.00 0.00 35.03 35.25 1s6i n LYS 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1s6i n SER 60 N 3.89 1.45 -0.85 3.14 7.64 -1.26 -4.94 113.62 122.69 1s6i n SER 60 Ca 0.41 -2.54 -0.11 0.00 1.01 0.00 0.00 58.87 57.63 1s6i n SER 60 Cb 0.07 -0.30 -0.05 0.00 -1.01 0.00 0.00 64.21 62.93 1s6i n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6i n GLY 61 N -0.82 1.22 3.13 0.23 0.00 -1.26 -4.97 105.19 102.72 1s6i n GLY 61 Ca 0.09 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.36 0.02 -0.09 2.61 2.01 -1.22 -2.35 115.64 114.26 1s6i s THR 62 Ca 0.00 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1s6i s THR 62 Cb 0.00 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1s6i s THR 62 CO 0.00 -0.11 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.07 1s6i s ILE 63 N -0.38 1.17 0.38 1.82 1.01 0.55 -4.80 121.20 120.95 1s6i s ILE 63 Ca -0.05 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1s6i s ILE 63 Cb -0.03 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1s6i s ILE 63 CO 0.01 0.37 0.40 -1.81 0.00 0.00 0.00 174.94 173.92 1s6i s ASP 64 N 0.99 5.38 0.22 3.58 1.01 -1.26 -0.24 116.67 126.35 1s6i s ASP 64 Ca -0.08 -0.52 -0.01 0.00 0.71 0.00 0.00 52.55 52.64 1s6i s ASP 64 Cb -0.15 -0.81 0.48 0.00 1.01 0.00 0.00 42.92 43.45 1s6i s ASP 64 CO -0.00 -0.55 1.16 0.00 0.21 0.00 0.00 175.17 175.99 1s6i n TYR 65 N -1.57 0.39 0.44 4.23 9.36 -1.26 0.48 117.16 129.24 1s6i n TYR 65 Ca 0.02 0.90 -0.17 0.00 3.32 0.00 0.00 57.90 61.97 1s6i n TYR 65 Cb 0.60 -1.01 -0.08 0.00 -0.63 0.00 0.00 39.34 38.22 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 -1.17 1.45 2.98 0.00 -2.01 -2.41 103.07 101.92 1s6i h GLY 66 Ca 0.41 0.43 0.05 0.00 0.00 0.00 0.00 47.33 48.23 1s6i h GLY 66 CO -0.72 -0.42 0.23 0.83 0.00 0.00 0.00 176.54 176.45 1s6i h GLU 67 N -1.13 0.00 0.29 4.80 5.08 -0.98 -2.02 114.58 120.62 1s6i h GLU 67 Ca -0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1s6i h GLU 67 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1s6i h GLU 67 CO 0.19 0.00 -0.14 0.35 -1.00 0.00 0.00 179.01 178.41 1s6i h PHE 68 N 0.00 -0.36 -0.34 4.33 3.57 0.42 -1.82 116.94 122.73 1s6i h PHE 68 Ca 0.09 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1s6i h PHE 68 Cb 0.54 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1s6i h PHE 68 CO 0.00 -0.06 0.20 0.82 -2.23 0.00 0.00 178.31 177.04 1s6i h ILE 69 N -0.65 1.13 0.00 1.41 2.04 -0.90 -0.02 117.51 120.53 1s6i h ILE 69 Ca -0.04 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1s6i h ILE 69 Cb 0.46 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1s6i h ILE 69 CO 0.06 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.34 1s6i n ALA 70 N -2.23 1.48 -0.10 1.87 0.00 -0.95 -1.45 120.51 119.14 1s6i n ALA 70 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1s6i n ALA 70 Cb 0.07 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 1s6i n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 71 N -1.55 0.82 -0.03 0.00 0.00 -0.57 -4.02 120.51 115.18 1s6i n ALA 71 Ca 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 1s6i n ALA 71 Cb 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 1s6i n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i h THR 72 N -1.00 1.24 0.00 0.00 1.03 -1.03 -2.62 112.91 110.54 1s6i h THR 72 Ca -0.25 -0.75 0.00 0.00 -0.01 0.00 0.00 66.41 65.40 1s6i h THR 72 Cb 1.09 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 1s6i h THR 72 CO -0.15 0.21 0.00 0.58 -0.01 0.00 0.00 175.52 176.15 1s6i h VAL 73 N -0.10 0.00 -0.33 0.00 2.07 -1.46 0.67 116.25 117.09 1s6i h VAL 73 Ca 0.03 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1s6i h VAL 73 Cb 0.33 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1s6i h VAL 73 CO 0.00 0.00 -0.00 -0.74 0.02 0.00 0.00 177.57 176.85 1s6i h HIS 74 N 0.00 0.65 -0.00 1.57 2.76 -1.60 -2.79 115.15 115.74 1s6i h HIS 74 Ca 0.00 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1s6i h HIS 74 Cb 0.05 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.84 1s6i h HIS 74 CO 0.00 0.71 -0.67 1.28 -1.30 0.00 0.00 177.93 177.95 1s6i n LEU 75 N -4.52 1.09 -4.15 0.26 4.77 -0.45 -4.64 117.00 109.34 1s6i n LEU 75 Ca -0.02 -0.39 -0.39 0.00 -0.03 0.00 0.00 56.01 55.18 1s6i n LEU 75 Cb 0.27 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1s6i n LEU 75 CO 0.39 0.24 0.25 0.21 -1.33 0.00 0.00 177.39 177.15 1s6i s ASN 76 N -2.83 5.86 0.00 -1.43 3.04 0.22 -4.71 114.94 115.09 1s6i s ASN 76 Ca 0.13 -3.15 0.00 0.00 0.04 0.00 0.00 52.86 49.88 1s6i s ASN 76 Cb 0.17 -1.95 0.00 0.00 -1.54 0.00 0.00 41.25 37.93 1s6i s ASN 76 CO 0.72 -0.34 0.00 0.29 -3.04 0.00 0.00 177.10 174.73 1s6i n LYS 77 N 3.15 0.00 -0.06 0.43 5.02 -1.25 -4.43 118.16 121.02 1s6i n LYS 77 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1s6i n LYS 77 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.36 1s6i n LYS 77 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s6i n LEU 78 N -0.57 1.20 -3.51 -0.35 7.99 -1.26 -5.10 117.00 115.41 1s6i n LEU 78 Ca 0.00 0.20 -0.16 0.00 -0.01 0.00 0.00 56.01 56.04 1s6i n LEU 78 Cb 0.00 -0.47 -0.05 0.00 -0.11 0.00 0.00 43.42 42.79 1s6i n LEU 78 CO 0.00 0.03 0.47 -0.70 -1.51 0.00 0.00 177.39 175.68 1s6i s GLU 79 N -2.34 1.05 -0.06 3.23 2.56 -1.26 -5.09 118.70 116.80 1s6i s GLU 79 Ca -0.19 0.10 -0.33 0.00 0.00 0.00 0.00 54.97 54.56 1s6i s GLU 79 Cb 0.06 0.49 -0.11 0.00 2.00 0.00 0.00 34.13 36.58 1s6i s GLU 79 CO 0.24 -0.36 1.94 2.89 -0.56 0.00 0.00 175.26 179.41 1s6i n ARG 80 N 0.63 2.37 0.00 4.30 1.85 -1.26 -4.40 116.66 120.15 1s6i n ARG 80 Ca -0.18 0.86 0.00 0.00 -1.00 0.00 0.00 57.85 57.53 1s6i n ARG 80 Cb 0.59 -2.78 0.00 0.00 -1.05 0.00 0.00 32.46 29.21 1s6i n ARG 80 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1s6i n GLU 81 N 7.07 0.00 -0.38 2.89 0.00 -1.26 -4.95 120.64 124.01 1s6i n GLU 81 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.31 1s6i n GLU 81 Cb 0.33 0.00 0.05 0.00 0.00 0.00 0.00 31.44 31.83 1s6i n GLU 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1s6i n GLU 82 N -0.60 1.38 0.01 5.31 -0.58 -1.26 -3.97 120.64 120.92 1s6i n GLU 82 Ca 0.00 -0.90 -0.15 0.00 -0.42 0.00 0.00 57.16 55.69 1s6i n GLU 82 Cb 0.00 -1.35 -0.14 0.00 -0.57 0.00 0.00 31.44 29.38 1s6i n GLU 82 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1s6i h ASN 83 N 0.34 0.25 -0.04 1.62 -1.07 -1.94 -3.34 115.58 111.41 1s6i h ASN 83 Ca 0.19 -0.51 -0.11 0.00 0.07 0.00 0.00 56.30 55.95 1s6i h ASN 83 Cb 1.53 -0.08 0.01 0.00 -2.07 0.00 0.00 38.32 37.71 1s6i h ASN 83 CO 0.34 1.45 -0.40 -0.07 0.07 0.00 0.00 177.43 178.81 1s6i h LEU 84 N 0.04 0.42 -2.54 6.14 3.38 -1.98 -3.15 115.31 117.61 1s6i h LEU 84 Ca -0.33 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 56.93 1s6i h LEU 84 Cb 2.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1s6i h LEU 84 CO 0.10 1.06 0.10 -0.37 0.09 0.00 0.00 178.44 179.43 1s6i h VAL 85 N -0.20 0.00 0.14 1.22 -1.51 -1.81 -2.47 116.25 111.62 1s6i h VAL 85 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 1s6i h VAL 85 Cb 1.09 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1s6i h VAL 85 CO 0.08 0.00 -0.21 -1.28 -1.23 0.00 0.00 177.57 174.93 1s6i h SER 86 N 0.00 -0.59 0.20 4.19 0.87 -1.66 -2.13 113.55 114.42 1s6i h SER 86 Ca 0.00 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 1s6i h SER 86 Cb 0.20 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1s6i h SER 86 CO 0.00 -0.25 -0.46 0.00 -0.53 0.00 0.00 176.83 175.60 1s6i h ALA 87 N -1.30 0.99 -0.29 6.23 0.00 -1.72 -2.42 119.26 120.75 1s6i h ALA 87 Ca -0.02 -0.45 0.08 0.00 0.00 0.00 0.00 54.91 54.53 1s6i h ALA 87 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1s6i h ALA 87 CO -0.06 0.63 0.74 0.35 0.00 0.00 0.00 179.25 180.91 1s6i h PHE 88 N 0.25 0.00 0.09 0.00 3.57 -1.16 1.11 116.94 120.80 1s6i h PHE 88 Ca 0.02 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.20 1s6i h PHE 88 Cb 0.90 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1s6i h PHE 88 CO 0.02 0.00 -1.69 1.03 -2.23 0.00 0.00 178.31 175.44 1s6i h SER 89 N 0.00 0.31 0.00 0.41 0.87 -0.87 -3.17 113.55 111.10 1s6i h SER 89 Ca 0.14 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1s6i h SER 89 Cb 1.62 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1s6i h SER 89 CO -0.00 1.72 -0.03 0.22 -0.53 0.00 0.00 176.83 178.21 1s6i h TYR 90 N -0.28 0.00 0.51 2.24 3.20 0.76 -3.20 116.97 120.20 1s6i h TYR 90 Ca -0.38 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1s6i h TYR 90 Cb 1.80 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 1s6i h TYR 90 CO 0.09 0.00 -0.41 0.74 -1.64 0.00 0.00 178.16 176.94 1s6i h PHE 91 N -0.55 -1.13 -0.07 -3.82 -1.00 0.53 -2.33 116.94 108.57 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 0.03 0.43 0.01 0.00 3.61 0.00 0.00 35.95 40.03 1s6i h PHE 91 CO -0.01 -0.57 3.66 -3.47 -1.61 0.00 0.00 178.31 176.31 1s6i n ASP 92 N -4.95 7.94 -0.44 2.17 2.03 -1.11 -4.66 116.55 117.53 1s6i n ASP 92 Ca -0.11 -2.65 0.36 0.00 0.52 0.00 0.00 54.79 52.92 1s6i n ASP 92 Cb 0.39 -1.57 0.64 0.00 -0.72 0.00 0.00 41.12 39.87 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1s6i h LYS 93 N 5.15 0.09 0.00 -0.67 3.64 -1.41 0.69 116.57 124.06 1s6i h LYS 93 Ca 0.82 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 60.11 1s6i h LYS 93 Cb 0.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1s6i h LYS 93 CO 1.79 0.06 -1.18 0.22 -2.27 0.00 0.00 179.45 178.07 1s6i h ASP 94 N 0.09 0.00 -5.82 4.20 1.82 -1.84 -3.47 116.42 111.41 1s6i h ASP 94 Ca 0.81 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 57.29 1s6i h ASP 94 Cb 2.53 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.54 1s6i h ASP 94 CO -0.42 0.28 -0.53 0.61 -1.61 0.00 0.00 179.24 177.57 1s6i n GLY 95 N 1.28 -1.08 0.00 -0.78 0.00 0.24 -4.90 105.19 99.95 1s6i n GLY 95 Ca -0.05 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -1.37 0.41 0.00 1.61 3.41 -1.26 -4.98 113.62 111.45 1s6i n SER 96 Ca -0.05 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1s6i n SER 96 Cb 0.56 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 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 0.47 0.73 3.11 5.00 0.00 -1.26 -5.05 105.19 108.19 1s6i n GLY 97 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 0.37 -0.27 1.61 -0.85 -1.25 0.15 117.35 115.10 1s6i s TYR 98 Ca 0.00 -0.83 -0.01 0.00 -0.52 0.00 0.00 57.07 55.71 1s6i s TYR 98 Cb 0.00 -0.26 0.08 0.00 0.38 0.00 0.00 41.96 42.16 1s6i s TYR 98 CO 0.00 -0.40 0.06 0.42 -1.52 0.00 0.00 175.55 174.10 1s6i s ILE 99 N -3.54 0.89 0.49 -3.49 1.01 0.69 -4.76 121.20 112.48 1s6i s ILE 99 Ca 0.03 -1.15 -0.22 0.00 0.00 0.00 0.00 60.65 59.31 1s6i s ILE 99 Cb 0.05 -1.52 -0.07 0.00 0.01 0.00 0.00 42.46 40.93 1s6i s ILE 99 CO -0.09 -0.46 1.17 0.42 0.00 0.00 0.00 174.94 175.98 1s6i s THR 100 N 1.64 3.05 0.35 2.92 -4.23 -1.26 -0.02 115.64 118.09 1s6i s THR 100 Ca 0.04 0.75 0.26 0.00 -1.18 0.00 0.00 61.69 61.57 1s6i s THR 100 Cb -0.17 -3.36 0.40 0.00 1.34 0.00 0.00 72.50 70.70 1s6i s THR 100 CO -0.17 -0.05 1.20 0.00 -0.54 0.00 0.00 174.62 175.06 1s6i n LEU 101 N -0.74 0.15 0.10 4.79 -0.00 -0.49 0.75 117.00 121.56 1s6i n LEU 101 Ca 0.09 1.05 -0.12 0.00 -0.00 0.00 0.00 56.01 57.02 1s6i n LEU 101 Cb 0.49 -0.52 -0.06 0.00 -0.00 0.00 0.00 43.42 43.33 1s6i n LEU 101 CO 0.46 -1.13 0.75 0.44 -0.00 0.00 0.00 177.39 177.91 1s6i h ASP 102 N 0.00 -0.47 -0.05 1.45 3.32 -1.88 0.16 116.42 118.96 1s6i h ASP 102 Ca 0.68 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.79 1s6i h ASP 102 Cb 2.24 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.97 1s6i h ASP 102 CO -0.33 -0.24 0.03 -0.33 -1.72 0.00 0.00 179.24 176.64 1s6i h GLU 103 N -0.33 0.05 0.19 3.56 5.08 0.00 0.45 114.58 123.59 1s6i h GLU 103 Ca 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1s6i h GLU 103 Cb 0.35 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1s6i h GLU 103 CO -0.09 0.03 -0.09 0.82 -1.00 0.00 0.00 179.01 178.68 1s6i h ILE 104 N 0.05 0.00 -0.75 3.13 2.04 -1.19 -3.06 117.51 117.73 1s6i h ILE 104 Ca 0.02 -0.66 0.22 0.00 1.00 0.00 0.00 64.86 65.44 1s6i h ILE 104 Cb 0.01 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 1s6i h ILE 104 CO -0.00 0.00 0.57 1.56 0.00 0.00 0.00 178.15 180.28 1s6i h GLN 105 N -0.91 0.00 -0.55 2.37 1.08 -0.62 0.47 115.11 116.95 1s6i h GLN 105 Ca -0.03 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1s6i h GLN 105 Cb 0.19 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1s6i h GLN 105 CO 0.04 0.00 0.18 0.37 -0.95 0.00 0.00 178.83 178.48 1s6i h GLN 106 N 0.00 0.84 0.00 1.46 4.15 -0.95 -3.04 115.11 117.57 1s6i h GLN 106 Ca 0.36 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1s6i h GLN 106 Cb 1.49 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 1s6i h GLN 106 CO -0.00 0.76 -0.22 0.00 -1.93 0.00 0.00 178.83 177.44 1s6i h ALA 107 N 1.04 -0.69 -0.42 3.38 0.00 0.07 -3.42 119.26 119.22 1s6i h ALA 107 Ca 0.18 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.45 1s6i h ALA 107 Cb 0.26 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1s6i h ALA 107 CO -0.01 -0.75 0.68 0.00 0.00 0.00 0.00 179.25 179.17 1s6i h LYS 109 N 4.75 0.00 0.00 0.00 3.64 -1.89 0.65 116.57 123.73 1s6i h LYS 109 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1s6i h LYS 109 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1s6i h LYS 109 CO 0.73 0.13 0.15 0.22 -2.27 0.00 0.00 179.45 178.41 1s6i h ASP 110 N -1.00 0.00 0.00 4.20 1.82 -1.98 -2.60 116.42 116.85 1s6i h ASP 110 Ca -0.04 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.42 1s6i h ASP 110 Cb 0.54 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 1s6i h ASP 110 CO -0.02 0.00 -1.60 0.49 -1.61 0.00 0.00 179.24 176.49 1s6i n PHE 111 N -2.27 0.00 0.00 0.28 3.01 -1.26 -4.99 117.46 112.23 1s6i n PHE 111 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1s6i n PHE 111 Cb 0.18 -0.39 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 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 2.34 2.85 0.00 1.37 0.00 0.23 -4.10 105.19 107.88 1s6i n GLY 112 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.00 -3.15 0.99 -0.00 -1.15 -3.79 117.00 109.89 1s6i n LEU 113 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1s6i n LEU 113 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1s6i n LEU 113 CO 0.00 0.00 1.56 -0.67 -0.00 0.00 0.00 177.39 178.28 1s6i n ASP 114 N 0.00 0.21 0.27 1.45 -0.08 -1.26 -4.69 116.55 112.45 1s6i n ASP 114 Ca 0.00 0.13 0.16 0.00 -1.51 0.00 0.00 54.79 53.58 1s6i n ASP 114 Cb 0.00 -0.65 0.87 0.00 2.34 0.00 0.00 41.12 43.68 1s6i n ASP 114 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1s6i h ASP 115 N 8.38 0.00 0.01 1.67 5.19 -1.99 0.72 116.42 130.40 1s6i h ASP 115 Ca -0.04 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.08 1s6i h ASP 115 Cb 0.92 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.39 1s6i h ASP 115 CO 0.97 0.00 -1.61 -0.38 -3.12 0.00 0.00 179.24 175.10 1s6i n ILE 116 N -2.70 1.55 0.11 0.35 2.08 -1.26 -4.53 119.36 114.95 1s6i n ILE 116 Ca -0.02 -0.15 -0.21 0.00 0.56 0.00 0.00 62.75 62.93 1s6i n ILE 116 Cb 0.16 -1.98 -0.13 0.00 -0.75 0.00 0.00 39.64 36.93 1s6i n ILE 116 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 1s6i h HIS 117 N -0.94 0.90 -0.70 1.39 2.76 -1.83 -3.38 115.15 113.35 1s6i h HIS 117 Ca -0.44 -0.60 0.06 0.00 -2.20 0.00 0.00 60.37 57.19 1s6i h HIS 117 Cb 1.42 -0.06 -0.08 0.00 1.55 0.00 0.00 27.41 30.24 1s6i h HIS 117 CO 0.05 1.45 -0.41 -0.89 -1.30 0.00 0.00 177.93 176.83 1s6i n ILE 118 N -3.73 -0.48 -0.02 6.26 5.41 0.25 0.11 119.36 127.16 1s6i n ILE 118 Ca -0.13 1.85 -0.14 0.00 1.00 0.00 0.00 62.75 65.32 1s6i n ILE 118 Cb 1.02 -2.30 -0.10 0.00 -0.71 0.00 0.00 39.64 37.55 1s6i n ILE 118 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1s6i h ASP 119 N 0.00 -1.68 0.65 4.38 3.58 -1.78 0.63 116.42 122.21 1s6i h ASP 119 Ca 0.11 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1s6i h ASP 119 Cb 0.29 0.66 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1s6i h ASP 119 CO -0.66 -0.46 0.00 0.44 -2.88 0.00 0.00 179.24 175.69 1s6i h ASP 120 N -0.54 0.00 0.04 2.28 3.32 -1.54 -3.04 116.42 116.94 1s6i h ASP 120 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1s6i h ASP 120 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1s6i h ASP 120 CO -0.44 0.00 -0.02 0.24 -1.72 0.00 0.00 179.24 177.31 1s6i h MET 121 N 0.00 -0.05 -1.00 3.56 2.86 0.46 1.36 114.93 122.12 1s6i h MET 121 Ca 0.00 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.86 1s6i h MET 121 Cb 0.33 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.89 1s6i h MET 121 CO 0.00 0.60 0.61 0.82 1.06 0.00 0.00 176.91 180.00 1s6i h ILE 122 N -0.91 0.63 0.00 -1.22 2.04 0.11 1.57 117.51 119.71 1s6i h ILE 122 Ca -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1s6i h ILE 122 Cb 0.67 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1s6i h ILE 122 CO 0.01 0.12 -0.62 0.11 0.00 0.00 0.00 178.15 177.76 1s6i h LYS 123 N 0.65 0.00 0.00 2.37 1.79 -1.56 -2.44 116.57 117.38 1s6i h LYS 123 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1s6i h LYS 123 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1s6i h LYS 123 CO -0.40 0.00 0.00 1.49 -1.08 0.00 0.00 179.45 179.46 1s6i h GLU 124 N 0.00 0.00 0.00 3.15 4.57 1.26 -3.35 114.58 120.21 1s6i h GLU 124 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 1s6i h GLU 124 Cb 0.96 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 1s6i h GLU 124 CO 0.00 0.00 -1.32 -0.89 -1.18 0.00 0.00 179.01 175.62 1s6i n ILE 125 N -2.82 0.32 -1.77 2.32 5.41 0.82 -4.98 119.36 118.66 1s6i n ILE 125 Ca 0.04 -0.18 -0.43 0.00 1.00 0.00 0.00 62.75 63.19 1s6i n ILE 125 Cb 0.48 -0.83 -0.03 0.00 -0.71 0.00 0.00 39.64 38.55 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 -3.86 5.86 0.00 4.38 2.15 -0.92 -4.82 116.67 119.46 1s6i s ASP 126 Ca -0.04 1.90 0.25 0.00 0.43 0.00 0.00 52.55 55.09 1s6i s ASP 126 Cb 0.02 -2.52 0.58 0.00 -0.30 0.00 0.00 42.92 40.69 1s6i s ASP 126 CO 0.17 -1.64 1.46 0.00 -0.17 0.00 0.00 175.17 175.00 1s6i n GLN 127 N 8.30 0.05 0.00 4.34 3.00 -1.26 -4.68 117.38 127.13 1s6i n GLN 127 Ca 0.25 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1s6i n GLN 127 Cb 0.45 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.19 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 -1.45 1.54 0.00 1.08 5.68 -1.26 -4.85 116.55 117.29 1s6i n ASP 128 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1s6i n ASP 128 Cb 0.34 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1s6i n ASP 128 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1s6i n ASN 129 N -1.18 0.00 -0.19 -1.12 5.15 -1.26 -4.98 115.26 111.68 1s6i n ASN 129 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1s6i n ASN 129 Cb 0.16 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 1s6i n ASN 129 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1s6i n ASP 130 N -1.32 0.07 -3.47 1.20 2.03 -1.26 -4.73 116.55 109.07 1s6i n ASP 130 Ca 0.00 -0.38 -0.25 0.00 0.52 0.00 0.00 54.79 54.68 1s6i n ASP 130 Cb 0.00 -0.04 0.03 0.00 -0.72 0.00 0.00 41.12 40.40 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1s6i n GLY 131 N -0.04 -0.52 3.39 0.27 0.00 -1.26 -4.52 105.19 102.52 1s6i n GLY 131 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.17 1.50 -0.11 1.61 -2.07 -1.26 -1.39 119.66 111.77 1s6i s GLN 132 Ca 0.49 -1.79 0.01 0.00 -1.82 0.00 0.00 55.36 52.26 1s6i s GLN 132 Cb -0.24 -0.81 0.02 0.00 -1.09 0.00 0.00 33.01 30.89 1s6i s GLN 132 CO 0.61 -0.11 -0.14 0.42 -1.32 0.00 0.00 175.29 174.75 1s6i s ILE 133 N -3.30 1.44 0.22 3.63 -1.09 0.97 -4.14 121.20 118.94 1s6i s ILE 133 Ca 0.32 -0.60 0.06 0.00 -2.23 0.00 0.00 60.65 58.20 1s6i s ILE 133 Cb 0.06 -1.33 -0.03 0.00 -1.58 0.00 0.00 42.46 39.58 1s6i s ILE 133 CO 0.12 0.43 0.26 -0.62 -1.23 0.00 0.00 174.94 173.90 1s6i s ASP 134 N 1.09 5.91 0.57 3.58 2.15 -1.26 0.25 116.67 128.96 1s6i s ASP 134 Ca -0.05 -0.07 0.33 0.00 0.43 0.00 0.00 52.55 53.19 1s6i s ASP 134 Cb -0.14 -1.63 1.44 0.00 -0.30 0.00 0.00 42.92 42.28 1s6i s ASP 134 CO -0.03 -0.03 1.76 0.22 -0.17 0.00 0.00 175.17 176.93 1s6i h TYR 135 N 1.56 0.00 0.15 -5.34 3.20 -0.63 1.09 116.97 117.00 1s6i h TYR 135 Ca -0.50 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.04 1s6i h TYR 135 Cb 1.23 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 1s6i h TYR 135 CO 0.52 0.00 -1.69 0.78 -1.64 0.00 0.00 178.16 176.13 1s6i h GLY 136 N 0.00 0.37 0.84 1.82 0.00 -1.83 -3.18 103.07 101.08 1s6i h GLY 136 Ca 0.43 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1s6i h GLY 136 CO -0.00 0.82 -0.32 0.83 0.00 0.00 0.00 176.54 177.86 1s6i h GLU 137 N 0.09 -0.87 0.00 4.80 5.08 0.59 -1.17 114.58 123.10 1s6i h GLU 137 Ca -0.31 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1s6i h GLU 137 Cb 2.06 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.51 1s6i h GLU 137 CO 0.16 -0.55 0.35 0.35 -1.00 0.00 0.00 179.01 178.33 1s6i h PHE 138 N -1.08 0.00 0.15 4.33 3.57 0.03 0.49 116.94 124.43 1s6i h PHE 138 Ca -0.09 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.11 1s6i h PHE 138 Cb 0.73 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.47 1s6i h PHE 138 CO -0.00 0.00 -1.40 0.00 -2.23 0.00 0.00 178.31 174.68 1s6i h ALA 139 N 1.24 0.12 0.20 2.41 0.00 -1.27 -3.33 119.26 118.63 1s6i h ALA 139 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 54.91 53.62 1s6i h ALA 139 Cb 0.70 0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.66 1s6i h ALA 139 CO 0.00 0.99 -1.50 0.00 0.00 0.00 0.00 179.25 178.74 1s6i h ALA 140 N 0.47 0.00 -0.01 0.00 0.00 0.10 -3.03 119.26 116.80 1s6i h ALA 140 Ca -0.20 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1s6i h ALA 140 Cb 2.02 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 20.03 1s6i h ALA 140 CO 0.20 0.87 0.18 0.00 0.00 0.00 0.00 179.25 180.50 1s6i h MET 141 N 0.12 0.00 0.00 0.00 3.00 -1.19 -3.03 114.93 113.83 1s6i h MET 141 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.45 1s6i h MET 141 Cb 2.10 0.00 0.00 0.00 0.00 0.00 0.00 31.60 33.70 1s6i h MET 141 CO 0.23 0.00 -0.36 -0.12 0.00 0.00 0.00 176.91 176.66 1s6i n MET 142 N -3.01 0.26 0.00 -0.10 0.00 -1.24 -4.94 117.12 108.10 1s6i n MET 142 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 57.70 58.00 1s6i n MET 142 Cb 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.26 1s6i n MET 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1s6i n ARG 143 N -3.56 0.00 -1.52 2.12 3.00 -1.15 -5.10 116.66 110.45 1s6i n ARG 143 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 1s6i n ARG 143 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.65 1s6i n ARG 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1s6i n LYS 144 N 0.00 0.00 0.00 5.56 5.02 -1.20 -5.01 118.16 122.53 1s6i n LYS 144 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1s6i n LYS 144 Cb 0.00 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.25 1s6i n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s6i n ARG 145 N 0.00 1.43 -2.68 1.97 1.74 -1.26 -4.47 116.66 113.39 1s6i n ARG 145 Ca 0.00 -1.03 -0.06 0.00 -0.77 0.00 0.00 57.85 55.99 1s6i n ARG 145 Cb 0.00 -1.48 0.09 0.00 -1.02 0.00 0.00 32.46 30.05 1s6i n ARG 145 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1s6i n LYS 146 N 0.12 0.95 0.01 5.56 2.85 -1.26 -5.00 118.16 121.38 1s6i n LYS 146 Ca 0.13 -1.50 -0.22 0.00 -1.05 0.00 0.00 58.31 55.67 1s6i n LYS 146 Cb 0.44 -0.01 -0.14 0.00 -0.65 0.00 0.00 35.03 34.66 1s6i n LYS 146 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1s6i h GLY 147 N 1.73 0.28 -3.49 2.58 0.00 -1.97 -3.49 103.07 98.72 1s6i h GLY 147 Ca -0.36 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 46.17 1s6i h GLY 147 CO -0.11 0.63 -0.28 0.54 0.00 0.00 0.00 176.54 177.32 1s6i s ASN 148 N -7.04 -0.04 0.00 0.19 4.22 -1.26 -5.02 114.94 105.99 1s6i s ASN 148 Ca -0.20 -0.39 0.14 0.00 -2.14 0.00 0.00 52.86 50.26 1s6i s ASN 148 Cb 0.05 0.36 0.72 0.00 1.28 0.00 0.00 41.25 43.66 1s6i s ASN 148 CO 0.76 -0.69 1.37 0.61 -2.04 0.00 0.00 177.10 177.11 1s6i n GLY 149 N 0.24 -0.72 0.00 0.45 0.00 -1.26 -2.98 105.19 100.92 1s6i n GLY 149 Ca -0.17 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1s6i n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6i n GLY 150 N -0.10 -0.45 3.30 -0.02 0.00 -1.26 -4.82 105.19 101.84 1s6i n GLY 150 Ca 0.07 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1s6i n GLY 150 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s6i n ILE 151 N -1.24 0.71 -1.35 -0.61 5.41 -1.16 -4.92 119.36 116.20 1s6i n ILE 151 Ca 0.03 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1s6i n ILE 151 Cb 0.05 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 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 2.35 -0.14 3.34 7.39 0.00 -1.26 -5.02 105.19 111.85 1s6i n GLY 152 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.71 -2.37 1.61 1.74 -1.26 -3.99 116.66 110.67 1s6i n ARG 153 Ca 0.00 -0.48 -0.35 0.00 -0.77 0.00 0.00 57.85 56.25 1s6i n ARG 153 Cb 0.36 -1.83 -0.01 0.00 -1.02 0.00 0.00 32.46 29.95 1s6i n ARG 153 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1s6i s ARG 154 N -3.70 3.62 0.40 5.56 3.52 -1.26 -4.86 118.95 122.23 1s6i s ARG 154 Ca 0.59 1.55 0.35 0.00 -0.13 0.00 0.00 55.73 58.09 1s6i s ARG 154 Cb -0.16 -2.13 1.26 0.00 -1.56 0.00 0.00 34.95 32.36 1s6i s ARG 154 CO 0.66 -0.62 1.17 2.41 -0.81 0.00 0.00 175.30 178.11 1s6i n THR 155 N -0.98 -0.04 -0.86 4.11 -1.04 -1.26 -1.43 114.28 112.78 1s6i n THR 155 Ca 0.10 1.17 -0.10 0.00 -2.04 0.00 0.00 64.05 63.18 1s6i n THR 155 Cb 0.51 -1.93 -0.14 0.00 -1.82 0.00 0.00 70.33 66.95 1s6i n THR 155 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1s6i n MET 156 N -3.59 1.72 0.00 -2.82 2.81 -1.26 -3.55 117.12 110.43 1s6i n MET 156 Ca 0.33 -0.81 0.01 0.00 -1.81 0.00 0.00 57.70 55.42 1s6i n MET 156 Cb 1.44 -1.85 -0.01 0.00 -0.71 0.00 0.00 33.22 32.10 1s6i n MET 156 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1s6i n ARG 157 N 2.42 4.87 0.30 0.03 -4.01 -0.51 -4.60 116.66 115.16 1s6i n ARG 157 Ca 0.35 -0.14 0.19 0.00 -1.04 0.00 0.00 57.85 57.21 1s6i n ARG 157 Cb 0.80 -0.68 0.93 0.00 -3.04 0.00 0.00 32.46 30.47 1s6i n ARG 157 CO 0.00 0.00 0.00 -0.22 -3.04 0.00 0.00 177.63 174.37 1s6i h LYS 158 N 0.08 0.00 -6.23 2.89 1.63 -1.85 -3.42 116.57 109.67 1s6i h LYS 158 Ca 0.00 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.24 1s6i h LYS 158 Cb 0.04 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1s6i h LYS 158 CO 0.00 0.01 0.63 0.99 -3.45 0.00 0.00 179.45 177.63 1s6i s THR 159 N -3.93 4.69 0.16 1.00 2.01 -1.26 -5.02 115.64 113.28 1s6i s THR 159 Ca -0.02 1.97 -0.05 0.00 0.31 0.00 0.00 61.69 63.90 1s6i s THR 159 Cb 0.11 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1s6i s THR 159 CO 0.49 -0.03 0.19 -1.48 -0.69 0.00 0.00 174.62 173.10 1s6i s LEU 160 N 2.28 1.27 0.13 4.42 2.34 -1.26 -5.16 118.68 122.70 1s6i s LEU 160 Ca 0.49 -1.05 0.09 0.00 0.06 0.00 0.00 54.13 53.72 1s6i s LEU 160 Cb -0.19 0.80 -0.04 0.00 -0.56 0.00 0.00 46.19 46.20 1s6i s LEU 160 CO 0.16 -0.83 -0.15 0.20 -1.06 0.00 0.00 176.35 174.67 1s6i s ASN 161 N -3.02 4.04 0.00 1.48 0.01 -1.26 -5.03 114.94 111.17 1s6i s ASN 161 Ca 0.22 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1s6i s ASN 161 Cb 0.05 -0.63 0.00 0.00 0.41 0.00 0.00 41.25 41.09 1s6i s ASN 161 CO 0.02 0.16 0.81 0.00 -1.51 0.00 0.00 177.10 176.58 1s6i n LEU 162 N 0.63 1.56 0.05 0.60 -0.00 -1.26 -4.61 117.00 113.97 1s6i n LEU 162 Ca -0.14 -1.56 0.13 0.00 -0.00 0.00 0.00 56.01 54.44 1s6i n LEU 162 Cb 0.53 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 44.30 1s6i n LEU 162 CO 0.31 0.39 0.66 0.54 -0.00 0.00 0.00 177.39 179.28 1s6i n ARG 163 N -0.32 0.17 -3.44 1.47 5.12 -1.26 -4.82 116.66 113.58 1s6i n ARG 163 Ca 0.00 0.09 -0.38 0.00 -1.93 0.00 0.00 57.85 55.63 1s6i n ARG 163 Cb 0.20 -1.65 -0.06 0.00 -1.16 0.00 0.00 32.46 29.79 1s6i n ARG 163 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1s6i s ASP 164 N -3.84 6.77 0.14 0.55 2.15 -1.26 -5.08 116.67 116.11 1s6i s ASP 164 Ca 0.10 0.92 -0.16 0.00 0.43 0.00 0.00 52.55 53.84 1s6i s ASP 164 Cb 0.15 -2.26 -0.07 0.00 -0.30 0.00 0.00 42.92 40.44 1s6i s ASP 164 CO 0.64 0.22 0.57 0.00 -0.17 0.00 0.00 175.17 176.43 1s6i s ALA 165 N -0.53 3.56 0.51 3.66 0.00 -1.26 -4.96 121.76 122.74 1s6i s ALA 165 Ca 0.24 -0.07 0.37 0.00 0.00 0.00 0.00 51.96 52.50 1s6i s ALA 165 Cb -0.16 -2.58 1.94 0.00 0.00 0.00 0.00 23.12 22.32 1s6i s ALA 165 CO 0.12 0.43 2.22 1.25 0.00 0.00 0.00 175.76 179.79 1s6i h LEU 166 N 3.72 0.00 0.00 0.00 5.85 -1.99 -3.46 115.31 119.44 1s6i h LEU 166 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1s6i h LEU 166 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1s6i h LEU 166 CO 0.65 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 1s6i n GLY 167 N -0.85 -0.32 3.74 3.75 0.00 -1.26 -5.14 105.19 105.11 1s6i n GLY 167 Ca -0.02 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 4.44 0.19 0.99 1.02 -1.26 -4.98 118.68 119.08 1s6i s LEU 168 Ca 0.00 2.28 -0.30 0.00 0.02 0.00 0.00 54.13 56.13 1s6i s LEU 168 Cb 0.00 -3.61 -0.09 0.00 0.02 0.00 0.00 46.19 42.51 1s6i s LEU 168 CO 0.00 -0.42 1.39 -0.69 0.02 0.00 0.00 176.35 176.65 1s6i s VAL 169 N -0.02 3.01 -0.80 -1.59 1.01 -1.26 -4.95 120.40 115.80 1s6i s VAL 169 Ca 0.54 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 1s6i s VAL 169 Cb -0.34 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 32.63 1s6i s VAL 169 CO 0.37 0.10 1.06 -1.81 0.00 0.00 0.00 175.10 174.83 1s6i s ASP 170 N 0.59 6.40 -0.24 3.32 1.01 -1.26 -4.81 116.67 121.67 1s6i s ASP 170 Ca 0.60 -1.50 0.12 0.00 0.71 0.00 0.00 52.55 52.48 1s6i s ASP 170 Cb -0.39 -2.42 0.49 0.00 1.01 0.00 0.00 42.92 41.62 1s6i s ASP 170 CO 0.37 -1.27 1.42 -0.46 0.21 0.00 0.00 175.17 175.44 1s6i n ASN 171 N 7.24 2.90 -2.73 0.27 2.04 -1.26 -4.61 115.26 119.11 1s6i n ASN 171 Ca 0.11 -3.48 -0.04 0.00 -0.44 0.00 0.00 54.58 50.73 1s6i n ASN 171 Cb 0.47 -0.59 0.08 0.00 -2.53 0.00 0.00 39.78 37.22 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1s6i n GLY 172 N -0.96 1.71 3.61 4.83 0.00 -1.26 -5.08 105.19 108.04 1s6i n GLY 172 Ca 0.28 -0.70 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.46 -1.01 -0.24 1.61 1.04 -1.26 -5.03 113.70 106.34 1s6i s SER 173 Ca 0.21 1.50 0.10 0.00 0.48 0.00 0.00 55.95 58.25 1s6i s SER 173 Cb 0.40 1.95 0.45 0.00 0.10 0.00 0.00 66.02 68.92 1s6i s SER 173 CO -0.05 -0.23 1.30 -0.46 0.98 0.00 0.00 173.24 174.78 1s6i n ASN 174 N 5.11 2.10 -4.57 7.02 6.94 -1.26 -5.01 115.26 125.59 1s6i n ASN 174 Ca -0.14 -3.87 -0.40 0.00 -0.02 0.00 0.00 54.58 50.15 1s6i n ASN 174 Cb 0.52 -0.56 -0.03 0.00 -2.36 0.00 0.00 39.78 37.35 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1s6i s GLN 175 N -3.27 2.86 -0.35 -3.83 1.11 -1.26 -4.94 119.66 109.98 1s6i s GLN 175 Ca 0.41 1.23 -0.25 0.00 0.01 0.00 0.00 55.36 56.75 1s6i s GLN 175 Cb 0.38 -4.35 0.01 0.00 -1.01 0.00 0.00 33.01 28.05 1s6i s GLN 175 CO -0.05 -2.43 0.87 0.08 0.01 0.00 0.00 175.29 173.78 1s6i s VAL 176 N 8.73 4.67 0.05 1.09 1.01 -1.26 -5.04 120.40 129.65 1s6i s VAL 176 Ca 0.81 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.99 1s6i s VAL 176 Cb -0.19 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1s6i s VAL 176 CO 0.28 -0.43 0.07 0.27 0.00 0.00 0.00 175.10 175.29 1s6i s ILE 177 N 3.27 4.54 -0.19 2.22 -5.25 -1.26 -5.09 121.20 119.44 1s6i s ILE 177 Ca 0.36 -0.67 -0.23 0.00 -0.99 0.00 0.00 60.65 59.13 1s6i s ILE 177 Cb -0.13 -3.15 -0.02 0.00 2.95 0.00 0.00 42.46 42.11 1s6i s ILE 177 CO 0.16 0.20 0.71 -1.61 -1.79 0.00 0.00 174.94 172.62 1s6i s GLU 178 N -2.16 4.24 0.00 0.37 2.02 -1.26 -4.96 118.70 116.95 1s6i s GLU 178 Ca 0.27 0.77 0.00 0.00 0.02 0.00 0.00 54.97 56.03 1s6i s GLU 178 Cb -0.12 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1s6i s GLU 178 CO 0.19 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1s6i n GLY 179 N 3.69 4.08 0.15 -1.39 0.00 -1.26 -5.04 105.19 105.41 1s6i n GLY 179 Ca 0.01 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 1s6i n GLY 179 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s6i h TYR 180 N 0.97 0.00 0.27 1.61 -1.99 -2.09 -3.31 116.97 112.42 1s6i h TYR 180 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1s6i h TYR 180 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1s6i h TYR 180 CO 0.00 0.56 -0.13 0.35 -0.00 0.00 0.00 178.16 178.95 1s6i h PHE 181 N 0.00 -0.33 0.00 4.88 3.57 -1.98 -3.57 116.94 119.50 1s6i h PHE 181 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1s6i h PHE 181 Cb 1.01 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1s6i h PHE 181 CO 0.00 -0.21 0.00 1.17 -2.23 0.00 0.00 178.31 177.04