#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6i h GLU 2 N 0.00 -0.10 -0.95 0.00 3.07 -2.11 -3.36 114.58 111.13 1s6i h GLU 2 Ca 0.00 0.01 -0.49 0.00 -0.50 0.00 0.00 59.36 58.38 1s6i h GLU 2 Cb 0.00 0.02 -0.29 0.00 -0.84 0.00 0.00 28.75 27.64 1s6i h GLU 2 CO 0.00 -0.06 0.60 2.89 -1.40 0.00 0.00 179.01 181.04 1s6i n ARG 3 N -4.23 2.25 -3.04 2.33 1.85 -1.26 -4.87 116.66 109.69 1s6i n ARG 3 Ca -0.01 -3.03 -0.45 0.00 -1.00 0.00 0.00 57.85 53.37 1s6i n ARG 3 Cb 0.04 -2.16 -0.03 0.00 -1.05 0.00 0.00 32.46 29.26 1s6i n ARG 3 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1s6i s LEU 4 N -3.29 5.39 0.51 2.89 2.96 -1.26 -5.00 118.68 120.88 1s6i s LEU 4 Ca 0.56 -1.91 0.01 0.00 -0.22 0.00 0.00 54.13 52.57 1s6i s LEU 4 Cb 0.47 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 1s6i s LEU 4 CO 0.10 -1.02 0.03 -0.94 -1.32 0.00 0.00 176.35 173.20 1s6i s SER 5 N 3.36 3.94 0.33 3.68 1.04 -1.26 -4.98 113.70 119.80 1s6i s SER 5 Ca 0.24 -1.71 -0.29 0.00 0.48 0.00 0.00 55.95 54.66 1s6i s SER 5 Cb -0.12 0.66 -0.11 0.00 0.10 0.00 0.00 66.02 66.55 1s6i s SER 5 CO -0.03 -0.93 1.56 -1.61 0.98 0.00 0.00 173.24 173.20 1s6i s GLU 6 N -3.86 4.10 0.11 4.02 0.41 -1.26 -4.91 118.70 117.31 1s6i s GLU 6 Ca 0.05 2.60 0.06 0.00 -0.41 0.00 0.00 54.97 57.26 1s6i s GLU 6 Cb 0.00 -2.99 -0.22 0.00 -1.78 0.00 0.00 34.13 29.14 1s6i s GLU 6 CO 0.03 -0.61 1.26 0.93 -0.49 0.00 0.00 175.26 176.38 1s6i h GLU 7 N 4.06 0.03 0.00 1.61 5.08 -2.00 -3.24 114.58 120.13 1s6i h GLU 7 Ca -0.49 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1s6i h GLU 7 Cb 1.23 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1s6i h GLU 7 CO 0.73 1.02 -0.03 1.05 -1.00 0.00 0.00 179.01 180.78 1s6i h GLU 8 N 0.01 0.00 0.09 2.33 4.11 -1.93 -1.76 114.58 117.43 1s6i h GLU 8 Ca -0.03 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.15 1s6i h GLU 8 Cb 1.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.05 1s6i h GLU 8 CO 0.14 0.03 -1.14 0.82 0.07 0.00 0.00 179.01 178.93 1s6i h ILE 9 N 0.00 1.51 -2.87 -1.06 1.08 -1.96 -3.44 117.51 110.78 1s6i h ILE 9 Ca -0.00 -2.97 -0.48 0.00 -0.39 0.00 0.00 64.86 61.02 1s6i h ILE 9 Cb 0.09 2.82 -0.40 0.00 -3.07 0.00 0.00 36.82 36.26 1s6i h ILE 9 CO 0.00 0.87 -0.75 -0.83 -0.69 0.00 0.00 178.15 176.75 1s6i s GLY 10 N -4.61 0.37 0.00 5.37 0.00 -0.67 -4.87 107.32 102.91 1s6i s GLY 10 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1s6i s GLY 10 CO 0.87 1.94 0.00 0.61 0.00 0.00 0.00 173.10 176.52 1s6i n GLY 11 N 5.27 0.70 0.29 0.20 0.00 -1.21 -4.71 105.19 105.73 1s6i n GLY 11 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.67 0.99 5.85 -1.84 -0.51 115.31 119.38 1s6i h LEU 12 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1s6i h LEU 12 Cb 0.00 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1s6i h LEU 12 CO 0.00 0.19 0.41 0.50 -0.34 0.00 0.00 178.44 179.19 1s6i h LYS 13 N 0.30 0.91 0.00 1.25 3.64 -1.97 0.22 116.57 120.91 1s6i h LYS 13 Ca 0.08 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1s6i h LYS 13 Cb -0.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1s6i h LYS 13 CO -0.02 0.64 -0.21 1.49 -2.27 0.00 0.00 179.45 179.09 1s6i h GLU 14 N 0.91 0.00 -0.02 1.90 4.81 -1.56 -1.21 114.58 119.41 1s6i h GLU 14 Ca 0.24 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 1s6i h GLU 14 Cb -0.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1s6i h GLU 14 CO -0.05 0.21 -0.63 1.25 -0.73 0.00 0.00 179.01 179.06 1s6i h LEU 15 N 0.00 0.11 -0.12 1.64 5.85 0.50 0.30 115.31 123.59 1s6i h LEU 15 Ca -0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1s6i h LEU 15 Cb 0.46 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1s6i h LEU 15 CO 0.03 0.71 0.01 0.15 -0.34 0.00 0.00 178.44 178.99 1s6i h PHE 16 N 0.07 0.22 0.00 1.25 3.57 0.45 -1.59 116.94 120.90 1s6i h PHE 16 Ca -0.01 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1s6i h PHE 16 Cb 1.13 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1s6i h PHE 16 CO 0.01 0.43 0.00 1.57 -2.23 0.00 0.00 178.31 178.09 1s6i h LYS 17 N -0.06 0.00 -0.36 1.11 5.09 -1.41 -2.34 116.57 118.59 1s6i h LYS 17 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.68 1s6i h LYS 17 Cb 0.34 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.65 1s6i h LYS 17 CO 0.00 0.00 -0.17 1.98 -2.09 0.00 0.00 179.45 179.18 1s6i h MET 18 N 0.00 0.66 0.66 0.07 4.05 0.24 -3.03 114.93 117.58 1s6i h MET 18 Ca 0.00 -0.23 -0.03 0.00 -0.28 0.00 0.00 59.70 59.16 1s6i h MET 18 Cb 0.66 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.42 1s6i h MET 18 CO 0.00 0.80 -0.32 0.82 0.23 0.00 0.00 176.91 178.44 1s6i h ILE 19 N 0.59 0.27 -1.39 1.77 1.08 -0.74 -3.35 117.51 115.75 1s6i h ILE 19 Ca 0.10 -0.19 -0.64 0.00 -0.39 0.00 0.00 64.86 63.73 1s6i h ILE 19 Cb 0.62 0.33 -0.12 0.00 -3.07 0.00 0.00 36.82 34.59 1s6i h ILE 19 CO 0.04 0.02 1.49 -0.62 -0.69 0.00 0.00 178.15 178.39 1s6i s ASP 20 N -4.49 6.62 0.12 1.72 2.15 -1.14 -3.77 116.67 117.88 1s6i s ASP 20 Ca -0.16 -1.85 0.17 0.00 0.43 0.00 0.00 52.55 51.14 1s6i s ASP 20 Cb 0.02 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.04 1s6i s ASP 20 CO 0.55 -1.31 0.97 0.00 -0.17 0.00 0.00 175.17 175.21 1s6i h THR 21 N 6.25 0.50 0.00 1.71 1.03 -1.70 -3.43 112.91 117.27 1s6i h THR 21 Ca 0.24 -1.90 0.00 0.00 -0.01 0.00 0.00 66.41 64.74 1s6i h THR 21 Cb 0.98 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 1s6i h THR 21 CO 1.36 0.28 0.00 -0.90 -0.01 0.00 0.00 175.52 176.25 1s6i n ASP 22 N -2.93 0.01 0.00 0.00 5.68 -1.26 -5.01 116.55 113.04 1s6i n ASP 22 Ca -0.06 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 1s6i n ASP 22 Cb 0.78 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 1s6i n ASP 22 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1s6i n ASN 23 N -0.01 0.00 0.00 -1.12 5.15 -1.26 -4.99 115.26 113.03 1s6i n ASN 23 Ca 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1s6i n ASN 23 Cb 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s6i n SER 24 N -0.48 0.00 0.00 1.20 3.41 -1.26 -4.98 113.62 111.51 1s6i n SER 24 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 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 1.69 2.97 5.00 0.00 -1.26 -5.11 105.19 108.48 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 0.20 -0.45 2.61 -4.23 -1.26 -4.77 115.64 105.73 1s6i s THR 26 Ca 0.00 -0.72 -0.12 0.00 -1.18 0.00 0.00 61.69 59.67 1s6i s THR 26 Cb 0.00 -0.29 0.09 0.00 1.34 0.00 0.00 72.50 73.64 1s6i s THR 26 CO 0.00 -0.33 0.33 -0.63 -0.54 0.00 0.00 174.62 173.45 1s6i s ILE 27 N -1.07 4.60 0.28 2.99 1.01 0.21 -4.69 121.20 124.53 1s6i s ILE 27 Ca -0.10 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.23 1s6i s ILE 27 Cb -0.08 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1s6i s ILE 27 CO -0.00 -0.60 0.35 0.42 0.00 0.00 0.00 174.94 175.10 1s6i s THR 28 N 1.49 4.58 0.31 2.92 -4.23 -1.25 0.17 115.64 119.62 1s6i s THR 28 Ca 0.04 -1.12 0.22 0.00 -1.18 0.00 0.00 61.69 59.64 1s6i s THR 28 Cb -0.25 -3.57 0.34 0.00 1.34 0.00 0.00 72.50 70.37 1s6i s THR 28 CO 0.03 -0.27 1.12 0.33 -0.54 0.00 0.00 174.62 175.29 1s6i n PHE 29 N -1.42 0.55 -0.01 3.99 -0.00 -1.02 0.21 117.46 119.77 1s6i n PHE 29 Ca -0.06 0.56 -0.12 0.00 -0.00 0.00 0.00 57.45 57.84 1s6i n PHE 29 Cb 0.58 -0.96 -0.10 0.00 -0.00 0.00 0.00 39.48 39.00 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 -0.06 0.89 -2.13 3.58 -1.92 -3.24 116.42 113.54 1s6i h ASP 30 Ca 0.63 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1s6i h ASP 30 Cb 1.97 0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.04 1s6i h ASP 30 CO -0.37 0.62 0.00 -0.08 -2.88 0.00 0.00 179.24 176.53 1s6i h GLU 31 N -0.82 0.00 0.46 0.28 4.81 0.15 -2.50 114.58 116.95 1s6i h GLU 31 Ca -0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1s6i h GLU 31 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1s6i h GLU 31 CO 0.01 0.00 -0.27 1.25 -0.73 0.00 0.00 179.01 179.28 1s6i h LEU 32 N 0.00 -0.66 -0.24 1.64 7.12 0.24 -2.50 115.31 120.91 1s6i h LEU 32 Ca 0.00 0.04 -0.21 0.00 0.13 0.00 0.00 57.88 57.84 1s6i h LEU 32 Cb 0.45 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.76 1s6i h LEU 32 CO 0.00 -0.43 -0.90 0.07 -0.13 0.00 0.00 178.44 177.05 1s6i h LYS 33 N -0.68 0.24 -0.21 1.25 2.10 -1.64 -3.34 116.57 114.29 1s6i h LYS 33 Ca -0.05 -0.27 0.04 0.00 -2.00 0.00 0.00 60.65 58.37 1s6i h LYS 33 Cb 0.55 0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 31.89 1s6i h LYS 33 CO 0.06 0.99 -0.48 0.22 -2.00 0.00 0.00 179.45 178.25 1s6i h ASP 34 N 0.13 -1.55 0.12 7.07 3.58 -1.28 0.60 116.42 125.10 1s6i h ASP 34 Ca -0.05 0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 1s6i h ASP 34 Cb 1.54 0.63 -0.00 0.00 1.72 0.00 0.00 39.33 43.22 1s6i h ASP 34 CO 0.14 -0.44 -0.02 1.23 -2.88 0.00 0.00 179.24 177.28 1s6i h GLY 35 N -0.49 0.00 0.33 -0.78 0.00 -1.54 -0.52 103.07 100.07 1s6i h GLY 35 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.03 1s6i h GLY 35 CO -0.47 0.00 -2.22 1.47 0.00 0.00 0.00 176.54 175.32 1s6i n LEU 36 N -3.42 2.59 0.14 3.11 -0.00 -0.53 -3.08 117.00 115.82 1s6i n LEU 36 Ca -0.03 0.05 0.13 0.00 -0.00 0.00 0.00 56.01 56.16 1s6i n LEU 36 Cb 0.11 -0.89 0.50 0.00 -0.00 0.00 0.00 43.42 43.14 1s6i n LEU 36 CO 0.24 0.86 0.87 0.07 -0.00 0.00 0.00 177.39 179.43 1s6i h LYS 37 N 0.03 0.00 0.11 1.47 2.10 0.30 0.11 116.57 120.69 1s6i h LYS 37 Ca -0.49 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.82 1s6i h LYS 37 Cb 1.98 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.30 1s6i h LYS 37 CO 0.01 0.00 -1.76 -0.09 -2.00 0.00 0.00 179.45 175.60 1s6i h ARG 38 N 0.00 0.23 0.00 0.07 1.12 -1.23 -3.34 114.38 111.23 1s6i h ARG 38 Ca 0.00 -0.40 0.00 0.00 -1.11 0.00 0.00 59.98 58.47 1s6i h ARG 38 Cb 0.43 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1s6i h ARG 38 CO 0.00 1.07 0.00 -0.24 -3.11 0.00 0.00 179.97 177.69 1s6i h VAL 39 N 0.06 0.00 0.00 0.20 3.04 -1.39 -3.46 116.25 114.71 1s6i h VAL 39 Ca -0.33 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1s6i h VAL 39 Cb 2.04 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.85 1s6i h VAL 39 CO 0.12 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.29 1s6i n GLY 40 N 0.61 0.93 3.32 3.17 0.00 -0.89 -5.09 105.19 107.23 1s6i n GLY 40 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1s6i n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6i s SER 41 N -1.40 1.92 -0.24 1.61 0.15 0.33 -4.99 113.70 111.08 1s6i s SER 41 Ca 0.00 -1.16 -0.04 0.00 0.70 0.00 0.00 55.95 55.45 1s6i s SER 41 Cb 0.00 -0.01 0.09 0.00 -1.71 0.00 0.00 66.02 64.39 1s6i s SER 41 CO 0.00 -0.45 0.16 -1.83 1.20 0.00 0.00 173.24 172.32 1s6i s GLU 42 N -3.82 0.17 0.31 5.44 -1.05 -1.26 -3.83 118.70 114.66 1s6i s GLU 42 Ca 0.26 -0.21 0.07 0.00 -0.15 0.00 0.00 54.97 54.93 1s6i s GLU 42 Cb 0.05 -1.30 -0.06 0.00 -0.44 0.00 0.00 34.13 32.37 1s6i s GLU 42 CO 0.07 -0.85 -0.04 -0.51 0.95 0.00 0.00 175.26 174.88 1s6i s LEU 43 N 2.19 2.52 0.33 1.83 1.43 -1.26 -5.11 118.68 120.60 1s6i s LEU 43 Ca 0.07 -1.23 0.09 0.00 -1.03 0.00 0.00 54.13 52.02 1s6i s LEU 43 Cb -0.16 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1s6i s LEU 43 CO -0.24 -0.37 0.08 0.00 0.23 0.00 0.00 176.35 176.06 1s6i s MET 44 N -3.73 2.28 0.07 1.70 0.23 -1.26 -5.00 119.30 113.59 1s6i s MET 44 Ca 0.31 -1.58 -0.18 0.00 -1.03 0.00 0.00 55.69 53.22 1s6i s MET 44 Cb 0.05 -2.11 -0.06 0.00 -1.53 0.00 0.00 34.83 31.18 1s6i s MET 44 CO 0.14 0.17 1.30 0.93 -2.03 0.00 0.00 175.02 175.52 1s6i h GLU 45 N 1.68 -0.20 -0.52 3.16 3.07 -2.00 0.18 114.58 119.96 1s6i h GLU 45 Ca -0.44 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 58.59 1s6i h GLU 45 Cb 1.25 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 1s6i h GLU 45 CO 0.64 -0.13 1.02 0.66 -1.40 0.00 0.00 179.01 179.80 1s6i h SER 46 N -0.21 0.00 0.06 1.42 4.64 -1.99 0.72 113.55 118.19 1s6i h SER 46 Ca 0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 1s6i h SER 46 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1s6i h SER 46 CO -0.34 0.00 -0.62 -0.33 -0.87 0.00 0.00 176.83 174.67 1s6i h GLU 47 N 0.00 0.12 0.13 4.77 4.39 -1.05 -3.12 114.58 119.82 1s6i h GLU 47 Ca 0.25 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1s6i h GLU 47 Cb 2.29 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.98 1s6i h GLU 47 CO -0.00 1.10 -0.39 0.82 -1.16 0.00 0.00 179.01 179.37 1s6i h ILE 48 N -0.72 0.00 -1.22 3.13 5.03 0.94 0.74 117.51 125.41 1s6i h ILE 48 Ca -0.14 0.00 0.35 0.00 -0.12 0.00 0.00 64.86 64.95 1s6i h ILE 48 Cb 1.34 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 35.05 1s6i h ILE 48 CO 0.02 0.00 0.83 0.50 -0.68 0.00 0.00 178.15 178.82 1s6i h LYS 49 N -0.58 0.16 -0.40 2.37 3.11 -1.55 0.88 116.57 120.54 1s6i h LYS 49 Ca -0.01 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.77 1s6i h LYS 49 Cb 0.57 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1s6i h LYS 49 CO -0.19 0.10 0.04 0.22 -2.81 0.00 0.00 179.45 176.82 1s6i h ASP 50 N 0.16 0.66 0.29 4.20 1.82 -0.84 0.25 116.42 122.96 1s6i h ASP 50 Ca 0.65 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.99 1s6i h ASP 50 Cb 2.15 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 41.98 1s6i h ASP 50 CO -0.20 0.77 -0.14 0.25 -1.61 0.00 0.00 179.24 178.31 1s6i h LEU 51 N 0.53 0.00 0.00 2.28 7.12 0.21 -0.50 115.31 124.95 1s6i h LEU 51 Ca 0.12 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1s6i h LEU 51 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1s6i h LEU 51 CO 0.01 0.14 -0.00 0.24 -0.13 0.00 0.00 178.44 178.70 1s6i h MET 52 N 0.00 0.00 -0.00 1.25 2.86 -0.41 0.15 114.93 118.77 1s6i h MET 52 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6i h MET 52 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1s6i h MET 52 CO 0.02 0.00 0.01 -0.44 1.06 0.00 0.00 176.91 177.56 1s6i h ASP 53 N -0.36 0.00 0.07 1.22 5.19 -1.04 0.96 116.42 122.47 1s6i h ASP 53 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1s6i h ASP 53 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1s6i h ASP 53 CO 0.00 0.00 -1.97 0.00 -3.12 0.00 0.00 179.24 174.15 1s6i n ALA 54 N -2.16 0.98 -0.05 3.45 0.00 -0.20 -4.43 120.51 118.09 1s6i n ALA 54 Ca -0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 53.44 52.65 1s6i n ALA 54 Cb 0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1s6i n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 55 N -3.22 1.77 -1.47 0.00 0.00 -0.04 -3.82 120.51 113.73 1s6i n ALA 55 Ca -0.36 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 1s6i n ALA 55 Cb 0.95 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 20.52 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 -2.79 0.05 0.16 0.00 2.03 0.33 -4.58 116.55 111.76 1s6i n ASP 56 Ca -0.19 -1.27 0.16 0.00 0.52 0.00 0.00 54.79 54.01 1s6i n ASP 56 Cb 0.71 -1.12 0.54 0.00 -0.72 0.00 0.00 41.12 40.52 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 7.22 0.09 -0.77 5.18 1.08 -1.84 -0.12 117.51 128.37 1s6i h ILE 57 Ca 0.01 0.00 -0.38 0.00 -0.39 0.00 0.00 64.86 64.10 1s6i h ILE 57 Cb 1.05 0.38 -0.41 0.00 -3.07 0.00 0.00 36.82 34.76 1s6i h ILE 57 CO 1.23 0.00 -1.02 0.47 -0.69 0.00 0.00 178.15 178.14 1s6i n ASP 58 N -3.07 2.68 -2.95 1.72 8.00 -1.26 -4.90 116.55 116.76 1s6i n ASP 58 Ca 0.06 -2.78 -0.15 0.00 0.71 0.00 0.00 54.79 52.63 1s6i n ASP 58 Cb 0.81 -0.46 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 1s6i n ASP 58 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1s6i n LYS 59 N -0.49 0.00 -0.21 -1.24 3.00 -0.06 -4.58 118.16 114.59 1s6i n LYS 59 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.56 1s6i n LYS 59 Cb 0.83 -0.67 0.08 0.00 0.00 0.00 0.00 35.03 35.27 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 3.71 1.42 0.00 3.14 3.41 -1.26 -4.94 113.62 119.11 1s6i n SER 60 Ca 0.45 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1s6i n SER 60 Cb 0.09 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1s6i n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 61 N -0.82 0.74 3.34 5.00 0.00 -1.26 -5.01 105.19 107.18 1s6i n GLY 61 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 1s6i n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s6i s THR 62 N -2.71 0.04 -0.06 2.61 -1.32 -1.23 -2.42 115.64 110.54 1s6i s THR 62 Ca 0.00 -0.33 0.04 0.00 -1.21 0.00 0.00 61.69 60.20 1s6i s THR 62 Cb 0.00 -0.80 -0.02 0.00 -1.51 0.00 0.00 72.50 70.18 1s6i s THR 62 CO 0.00 -0.18 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.40 1s6i s ILE 63 N -1.52 2.55 0.38 5.08 1.01 0.45 -4.76 121.20 124.40 1s6i s ILE 63 Ca -0.11 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 59.72 1s6i s ILE 63 Cb -0.03 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1s6i s ILE 63 CO 0.05 0.57 0.35 1.51 0.00 0.00 0.00 174.94 177.42 1s6i s ASP 64 N -0.31 5.22 0.23 3.58 1.47 -1.26 -0.62 116.67 124.98 1s6i s ASP 64 Ca 0.02 -0.59 -0.05 0.00 1.18 0.00 0.00 52.55 53.10 1s6i s ASP 64 Cb -0.13 -0.78 0.40 0.00 -0.34 0.00 0.00 42.92 42.08 1s6i s ASP 64 CO 0.02 -0.51 1.26 0.00 0.68 0.00 0.00 175.17 176.62 1s6i n TYR 65 N -1.49 0.32 0.43 2.11 9.36 -1.26 0.10 117.16 126.73 1s6i n TYR 65 Ca 0.01 0.99 -0.17 0.00 3.32 0.00 0.00 57.90 62.05 1s6i n TYR 65 Cb 0.61 -0.99 -0.08 0.00 -0.63 0.00 0.00 39.34 38.25 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 -1.16 1.04 2.98 0.00 -2.01 -2.71 103.07 101.21 1s6i h GLY 66 Ca 0.40 0.43 0.09 0.00 0.00 0.00 0.00 47.33 48.26 1s6i h GLY 66 CO -0.82 -0.42 0.39 0.83 0.00 0.00 0.00 176.54 176.51 1s6i h GLU 67 N -1.26 0.00 0.05 4.80 5.08 -1.42 -0.42 114.58 121.41 1s6i h GLU 67 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1s6i h GLU 67 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1s6i h GLU 67 CO 0.19 0.00 -0.03 0.35 -1.00 0.00 0.00 179.01 178.52 1s6i h PHE 68 N 0.00 -0.07 0.02 4.33 3.57 -0.05 -0.96 116.94 123.79 1s6i h PHE 68 Ca 0.15 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1s6i h PHE 68 Cb 0.93 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1s6i h PHE 68 CO 0.00 0.18 -0.01 0.82 -2.23 0.00 0.00 178.31 177.07 1s6i h ILE 69 N -0.31 1.00 -0.02 1.41 1.08 -0.78 0.76 117.51 120.64 1s6i h ILE 69 Ca -0.01 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1s6i h ILE 69 Cb 0.28 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1s6i h ILE 69 CO 0.01 0.01 0.01 0.00 -0.69 0.00 0.00 178.15 177.49 1s6i h ALA 70 N 0.95 1.99 -0.10 1.87 0.00 -1.47 -1.12 119.26 121.39 1s6i h ALA 70 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1s6i h ALA 70 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s6i h ALA 70 CO 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.94 1s6i h ALA 71 N 1.99 0.18 -0.06 0.00 0.00 -0.36 0.30 119.26 121.30 1s6i h ALA 71 Ca 0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1s6i h ALA 71 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s6i h ALA 71 CO -0.00 0.22 -0.24 1.79 0.00 0.00 0.00 179.25 181.02 1s6i h THR 72 N -0.04 1.20 0.00 0.00 1.35 -0.24 -1.75 112.91 113.43 1s6i h THR 72 Ca -0.01 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1s6i h THR 72 Cb 0.94 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1s6i h THR 72 CO 0.07 0.28 -0.72 0.58 -0.25 0.00 0.00 175.52 175.48 1s6i h VAL 73 N 0.09 0.00 0.01 6.82 2.07 -1.22 -3.00 116.25 121.03 1s6i h VAL 73 Ca 0.02 -0.58 -0.17 0.00 0.82 0.00 0.00 66.70 66.78 1s6i h VAL 73 Cb 0.48 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1s6i h VAL 73 CO 0.03 0.00 -0.69 -0.74 0.02 0.00 0.00 177.57 176.20 1s6i h HIS 74 N 0.00 0.66 0.00 1.57 6.17 -0.27 -2.80 115.15 120.49 1s6i h HIS 74 Ca 0.00 -0.37 0.00 0.00 0.71 0.00 0.00 60.37 60.71 1s6i h HIS 74 Cb 0.79 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.65 1s6i h HIS 74 CO 0.00 1.20 0.00 -0.07 0.71 0.00 0.00 177.93 179.77 1s6i h LEU 75 N -0.06 0.00 -7.13 0.26 -0.00 -1.45 -3.34 115.31 103.59 1s6i h LEU 75 Ca -0.09 0.00 -0.74 0.00 -0.00 0.00 0.00 57.88 57.05 1s6i h LEU 75 Cb 1.40 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.90 1s6i h LEU 75 CO 0.13 0.00 1.71 -3.20 -0.00 0.00 0.00 178.44 177.08 1s6i n ASN 76 N -2.32 5.14 -2.76 -0.43 2.85 -1.06 -4.54 115.26 112.14 1s6i n ASN 76 Ca 0.03 -3.03 -0.02 0.00 -0.11 0.00 0.00 54.58 51.44 1s6i n ASN 76 Cb 0.27 -1.54 0.07 0.00 1.24 0.00 0.00 39.78 39.83 1s6i n ASN 76 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1s6i n LYS 77 N 4.93 1.52 0.00 1.20 5.02 -1.26 -4.90 118.16 124.67 1s6i n LYS 77 Ca 0.39 -2.74 0.03 0.00 -2.02 0.00 0.00 58.31 53.97 1s6i n LYS 77 Cb 0.40 -0.91 0.17 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.78 0.00 0.00 -0.35 4.77 -1.26 -3.74 117.00 115.64 1s6i n LEU 78 Ca -0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1s6i n LEU 78 Cb 0.83 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1s6i n LEU 78 CO 0.03 -0.19 0.23 -0.62 -1.33 0.00 0.00 177.39 175.51 1s6i n GLU 79 N -1.24 0.00 -3.76 3.23 1.02 -1.26 -4.79 120.64 113.84 1s6i n GLU 79 Ca 0.03 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.98 1s6i n GLU 79 Cb 0.05 -0.96 -0.17 0.00 -0.02 0.00 0.00 31.44 30.34 1s6i n GLU 79 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s6i s ARG 80 N -0.91 0.67 -0.30 3.49 1.81 -1.24 -5.11 118.95 117.36 1s6i s ARG 80 Ca 0.00 -0.15 -0.16 0.00 -1.72 0.00 0.00 55.73 53.70 1s6i s ARG 80 Cb 0.00 -1.53 0.18 0.00 -0.45 0.00 0.00 34.95 33.15 1s6i s ARG 80 CO 0.00 -0.46 1.15 -1.83 -0.68 0.00 0.00 175.30 173.48 1s6i s GLU 81 N 1.91 0.18 0.00 3.54 -1.05 -1.26 -4.96 118.70 117.06 1s6i s GLU 81 Ca 0.02 0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.15 1s6i s GLU 81 Cb -0.14 0.04 0.00 0.00 -0.44 0.00 0.00 34.13 33.58 1s6i s GLU 81 CO -0.07 -0.04 0.00 -0.85 0.95 0.00 0.00 175.26 175.26 1s6i n GLU 82 N 3.35 0.00 0.00 -4.83 0.28 -1.26 -5.03 120.64 113.15 1s6i n GLU 82 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1s6i n GLU 82 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1s6i n GLU 82 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1s6i n ASN 83 N 0.00 0.00 0.07 -1.84 5.15 -1.26 -4.96 115.26 112.42 1s6i n ASN 83 Ca 0.00 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.14 1s6i n ASN 83 Cb 0.13 0.01 0.66 0.00 -0.53 0.00 0.00 39.78 40.06 1s6i n ASN 83 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1s6i h LEU 84 N 0.00 0.03 -2.15 1.20 -0.00 -1.99 -0.94 115.31 111.46 1s6i h LEU 84 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1s6i h LEU 84 Cb 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1s6i h LEU 84 CO 0.00 0.02 0.30 1.62 -0.00 0.00 0.00 178.44 180.37 1s6i h VAL 85 N 0.03 0.24 -0.64 0.15 3.04 -1.92 -0.16 116.25 116.98 1s6i h VAL 85 Ca 0.18 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.94 1s6i h VAL 85 Cb 0.69 0.74 -0.06 0.00 -2.01 0.00 0.00 31.29 30.65 1s6i h VAL 85 CO -0.01 0.00 0.34 0.28 -1.01 0.00 0.00 177.57 177.17 1s6i h SER 86 N 0.00 0.48 0.11 3.17 0.02 -1.56 -1.03 113.55 114.73 1s6i h SER 86 Ca 0.08 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1s6i h SER 86 Cb 0.68 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1s6i h SER 86 CO -0.00 0.30 -0.05 0.00 -1.14 0.00 0.00 176.83 175.94 1s6i h ALA 87 N 1.35 -0.15 -1.12 3.77 0.00 -1.24 -2.52 119.26 119.36 1s6i h ALA 87 Ca 0.30 -0.23 0.33 0.00 0.00 0.00 0.00 54.91 55.30 1s6i h ALA 87 Cb 0.22 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1s6i h ALA 87 CO -0.20 -0.19 1.22 0.35 0.00 0.00 0.00 179.25 180.43 1s6i h PHE 88 N -0.93 0.00 0.00 0.00 3.57 -1.26 1.55 116.94 119.86 1s6i h PHE 88 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1s6i h PHE 88 Cb 0.50 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1s6i h PHE 88 CO 0.10 0.00 -0.30 0.43 -2.23 0.00 0.00 178.31 176.31 1s6i n SER 89 N -3.34 1.00 0.08 0.41 7.64 -0.41 -3.65 113.62 115.35 1s6i n SER 89 Ca 0.25 0.44 -0.22 0.00 1.01 0.00 0.00 58.87 60.36 1s6i n SER 89 Cb 1.56 -0.70 -0.14 0.00 -1.01 0.00 0.00 64.21 63.91 1s6i n SER 89 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1s6i h TYR 90 N -0.55 0.77 0.46 1.43 3.20 -0.82 -2.93 116.97 118.53 1s6i h TYR 90 Ca 0.00 -0.53 -0.02 0.00 3.14 0.00 0.00 58.73 61.32 1s6i h TYR 90 Cb 0.30 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1s6i h TYR 90 CO -0.13 1.40 -0.22 0.74 -1.64 0.00 0.00 178.16 178.31 1s6i h PHE 91 N -0.07 -0.57 -0.04 -3.82 -1.00 0.19 -2.92 116.94 108.69 1s6i h PHE 91 Ca -0.18 -0.01 -0.69 0.00 2.81 0.00 0.00 57.97 59.90 1s6i h PHE 91 Cb 1.81 0.19 -0.02 0.00 3.61 0.00 0.00 35.95 41.54 1s6i h PHE 91 CO 0.16 -0.36 2.89 -3.47 -1.61 0.00 0.00 178.31 175.92 1s6i n ASP 92 N -3.93 3.61 -0.29 2.17 -0.08 0.59 -4.76 116.55 113.85 1s6i n ASP 92 Ca -0.08 -2.81 0.05 0.00 -1.51 0.00 0.00 54.79 50.44 1s6i n ASP 92 Cb 0.24 -1.54 0.13 0.00 2.34 0.00 0.00 41.12 42.29 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1s6i h LYS 93 N 6.53 0.02 0.00 -0.67 3.64 -1.31 0.91 116.57 125.69 1s6i h LYS 93 Ca 0.53 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 1s6i h LYS 93 Cb 0.66 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1s6i h LYS 93 CO 1.88 0.01 -0.10 0.22 -2.27 0.00 0.00 179.45 179.19 1s6i h ASP 94 N 0.02 0.00 -6.31 4.20 1.82 -1.79 -3.35 116.42 111.02 1s6i h ASP 94 Ca 0.42 0.00 -0.46 0.00 -0.39 0.00 0.00 57.03 56.61 1s6i h ASP 94 Cb 0.70 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.73 1s6i h ASP 94 CO -0.83 0.10 -0.90 0.61 -1.61 0.00 0.00 179.24 176.61 1s6i n GLY 95 N -0.28 -0.56 0.04 -0.78 0.00 0.32 -4.78 105.19 99.14 1s6i n GLY 95 Ca -0.01 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.87 1.51 0.00 1.61 3.41 -1.26 -4.94 113.62 111.08 1s6i n SER 96 Ca -0.22 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1s6i n SER 96 Cb 0.64 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.52 0.55 2.94 5.00 0.00 -1.26 -4.98 105.19 106.91 1s6i n GLY 97 Ca 0.03 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1s6i n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s6i s TYR 98 N -2.00 -0.16 -0.29 1.61 1.51 -1.26 -2.60 117.35 114.15 1s6i s TYR 98 Ca 0.00 0.46 -0.00 0.00 -1.01 0.00 0.00 57.07 56.51 1s6i s TYR 98 Cb 0.00 -0.06 0.09 0.00 -0.11 0.00 0.00 41.96 41.88 1s6i s TYR 98 CO 0.00 -0.15 0.07 0.42 -1.11 0.00 0.00 175.55 174.78 1s6i s ILE 99 N 0.97 1.07 0.81 2.71 1.01 0.28 -4.61 121.20 123.44 1s6i s ILE 99 Ca -0.07 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.05 1s6i s ILE 99 Cb -0.10 -1.74 0.08 0.00 0.01 0.00 0.00 42.46 40.71 1s6i s ILE 99 CO -0.05 -0.57 1.10 0.42 0.00 0.00 0.00 174.94 175.84 1s6i s THR 100 N 1.53 3.02 0.43 2.92 -4.23 -1.26 0.13 115.64 118.18 1s6i s THR 100 Ca 0.07 0.33 0.29 0.00 -1.18 0.00 0.00 61.69 61.21 1s6i s THR 100 Cb -0.18 -3.03 0.47 0.00 1.34 0.00 0.00 72.50 71.11 1s6i s THR 100 CO -0.20 -0.43 1.60 0.17 -0.54 0.00 0.00 174.62 175.23 1s6i h LEU 101 N -1.16 0.24 0.15 4.79 -0.00 -0.87 0.69 115.31 119.16 1s6i h LEU 101 Ca -0.47 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.56 1s6i h LEU 101 Cb 1.27 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1s6i h LEU 101 CO 0.58 -0.23 -0.07 -0.78 -0.00 0.00 0.00 178.44 177.94 1s6i h ASP 102 N 0.06 -0.17 0.39 0.17 3.58 -1.89 0.16 116.42 118.72 1s6i h ASP 102 Ca 0.84 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 58.02 1s6i h ASP 102 Cb 2.61 0.04 0.00 0.00 1.72 0.00 0.00 39.33 43.70 1s6i h ASP 102 CO -0.48 0.20 0.00 -0.33 -2.88 0.00 0.00 179.24 175.76 1s6i h GLU 103 N -0.58 0.00 0.00 0.28 5.08 -0.14 -2.26 114.58 116.96 1s6i h GLU 103 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1s6i h GLU 103 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1s6i h GLU 103 CO 0.03 0.00 -0.26 0.82 -1.00 0.00 0.00 179.01 178.60 1s6i h ILE 104 N 0.00 0.00 -0.40 3.13 2.04 -0.10 -3.20 117.51 118.98 1s6i h ILE 104 Ca 0.00 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 65.23 1s6i h ILE 104 Cb 0.20 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.19 1s6i h ILE 104 CO 0.00 0.00 -0.19 1.56 0.00 0.00 0.00 178.15 179.52 1s6i h GLN 105 N -0.72 -0.11 -0.11 2.37 1.08 -0.66 0.71 115.11 117.66 1s6i h GLN 105 Ca 0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1s6i h GLN 105 Cb 0.26 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1s6i h GLN 105 CO 0.00 -0.08 0.04 1.96 -0.95 0.00 0.00 178.83 179.80 1s6i h GLN 106 N -0.12 0.15 -0.00 1.46 4.20 -1.62 -1.03 115.11 118.15 1s6i h GLN 106 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1s6i h GLN 106 Cb 0.42 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1s6i h GLN 106 CO -0.47 0.14 0.01 0.00 -0.67 0.00 0.00 178.83 177.84 1s6i h ALA 107 N 1.89 1.17 -2.15 3.87 0.00 -0.85 -2.99 119.26 120.20 1s6i h ALA 107 Ca 0.04 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.32 1s6i h ALA 107 Cb 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.44 1s6i h ALA 107 CO -0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 179.25 178.84 1s6i h LYS 109 N 3.96 0.57 0.00 0.00 -0.00 -1.67 -3.17 116.57 116.26 1s6i h LYS 109 Ca 0.20 -0.82 0.00 0.00 -0.00 0.00 0.00 60.65 60.03 1s6i h LYS 109 Cb 0.59 0.28 0.00 0.00 -0.00 0.00 0.00 32.23 33.10 1s6i h LYS 109 CO 0.90 1.37 0.00 -3.47 -0.00 0.00 0.00 179.45 178.25 1s6i n ASP 110 N -3.75 0.37 -0.02 7.07 2.03 -1.26 -2.80 116.55 118.18 1s6i n ASP 110 Ca -0.14 0.60 -0.15 0.00 0.52 0.00 0.00 54.79 55.62 1s6i n ASP 110 Cb 1.01 -0.67 -0.11 0.00 -0.72 0.00 0.00 41.12 40.63 1s6i n ASP 110 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1s6i h PHE 111 N 0.00 0.34 0.00 -0.67 -1.00 -1.94 -3.48 116.94 110.19 1s6i h PHE 111 Ca 0.00 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.61 1s6i h PHE 111 Cb 0.28 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1s6i h PHE 111 CO 0.00 0.94 0.00 0.41 -1.61 0.00 0.00 178.31 178.05 1s6i n GLY 112 N 0.91 1.20 2.27 -1.45 0.00 -1.12 -5.03 105.19 101.96 1s6i n GLY 112 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.76 -3.69 0.99 -0.00 -1.25 -4.96 117.00 107.33 1s6i n LEU 113 Ca 0.00 0.76 -0.14 0.00 -0.00 0.00 0.00 56.01 56.62 1s6i n LEU 113 Cb 0.00 -0.63 -0.08 0.00 -0.00 0.00 0.00 43.42 42.71 1s6i n LEU 113 CO 0.00 -1.93 0.14 -0.62 -0.00 0.00 0.00 177.39 174.99 1s6i s ASP 114 N -0.60 -0.32 0.00 1.45 2.15 -1.26 -4.98 116.67 113.10 1s6i s ASP 114 Ca 0.44 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.65 1s6i s ASP 114 Cb -0.64 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.36 1s6i s ASP 114 CO 0.37 -0.52 0.88 -0.67 -0.17 0.00 0.00 175.17 175.06 1s6i n ASP 115 N 1.07 0.00 -0.03 -0.34 -0.08 -1.26 -1.79 116.55 114.11 1s6i n ASP 115 Ca -0.20 0.39 -0.02 0.00 -1.51 0.00 0.00 54.79 53.45 1s6i n ASP 115 Cb 0.57 -0.39 -0.01 0.00 2.34 0.00 0.00 41.12 43.63 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1s6i h ILE 116 N 0.00 0.00 0.00 5.18 1.08 -1.96 -3.41 117.51 118.40 1s6i h ILE 116 Ca 0.00 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.95 1s6i h ILE 116 Cb 0.10 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.85 1s6i h ILE 116 CO 0.00 0.00 -0.06 1.57 -0.69 0.00 0.00 178.15 178.97 1s6i n HIS 117 N -3.47 0.08 0.11 1.37 -0.00 -1.16 -3.77 115.22 108.38 1s6i n HIS 117 Ca -0.02 0.04 0.20 0.00 0.46 0.00 0.00 57.72 58.39 1s6i n HIS 117 Cb 0.09 -0.26 0.70 0.00 -0.12 0.00 0.00 29.99 30.40 1s6i n HIS 117 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1s6i h ILE 118 N -0.10 0.24 -0.02 3.57 1.08 -1.86 0.16 117.51 120.58 1s6i h ILE 118 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.38 1s6i h ILE 118 Cb 0.06 0.55 0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1s6i h ILE 118 CO 0.00 0.00 -0.36 -0.78 -0.69 0.00 0.00 178.15 176.32 1s6i h ASP 119 N 0.00 0.35 0.21 1.72 3.58 -1.56 -2.90 116.42 117.82 1s6i h ASP 119 Ca 0.19 -0.73 -0.00 0.00 0.42 0.00 0.00 57.03 56.90 1s6i h ASP 119 Cb 1.25 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1s6i h ASP 119 CO -0.00 1.03 -0.02 -0.78 -2.88 0.00 0.00 179.24 176.60 1s6i h ASP 120 N -0.30 0.00 -0.04 2.28 3.58 -0.82 0.09 116.42 121.20 1s6i h ASP 120 Ca -0.04 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 1s6i h ASP 120 Cb 1.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.11 1s6i h ASP 120 CO 0.07 0.02 -0.15 -0.03 -2.88 0.00 0.00 179.24 176.27 1s6i h MET 121 N 0.00 0.37 -0.77 0.28 4.05 -1.04 1.38 114.93 119.21 1s6i h MET 121 Ca -0.00 -0.10 0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1s6i h MET 121 Cb 0.13 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1s6i h MET 121 CO 0.00 0.52 0.50 0.82 0.23 0.00 0.00 176.91 178.98 1s6i h ILE 122 N 0.35 1.14 0.00 1.77 2.04 -0.93 0.67 117.51 122.55 1s6i h ILE 122 Ca 0.07 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1s6i h ILE 122 Cb 0.47 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1s6i h ILE 122 CO 0.03 0.18 -0.44 0.29 0.00 0.00 0.00 178.15 178.21 1s6i n LYS 123 N -4.59 0.17 0.11 2.37 4.01 -0.75 -1.89 118.16 117.59 1s6i n LYS 123 Ca 0.08 0.07 0.06 0.00 -0.51 0.00 0.00 58.31 58.01 1s6i n LYS 123 Cb 0.06 -1.63 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 4.57 0.46 -3.37 114.58 118.20 1s6i h GLU 124 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s6i h GLU 124 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1s6i h GLU 124 CO 0.00 0.20 -0.51 -0.89 -1.18 0.00 0.00 179.01 176.63 1s6i n ILE 125 N -2.93 0.00 -1.12 2.32 2.08 0.21 -4.73 119.36 115.18 1s6i n ILE 125 Ca -0.02 -0.30 -0.23 0.00 0.56 0.00 0.00 62.75 62.76 1s6i n ILE 125 Cb 0.67 0.80 -0.11 0.00 -0.75 0.00 0.00 39.64 40.25 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1s6i n ASP 126 N -1.27 6.63 0.00 4.38 5.75 -0.79 -4.52 116.55 126.73 1s6i n ASP 126 Ca 0.00 -2.51 0.02 0.00 -0.01 0.00 0.00 54.79 52.29 1s6i n ASP 126 Cb 0.07 -1.46 0.08 0.00 -1.03 0.00 0.00 41.12 38.78 1s6i n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s6i n GLN 127 N 2.95 0.01 -0.07 0.11 3.00 -1.26 -2.75 117.38 119.37 1s6i n GLN 127 Ca 0.57 0.41 -0.07 0.00 -0.01 0.00 0.00 57.00 57.89 1s6i n GLN 127 Cb 0.63 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.28 1s6i n GLN 127 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1s6i n ASP 128 N -1.47 2.22 0.00 1.08 -0.08 -1.26 -5.05 116.55 111.99 1s6i n ASP 128 Ca 0.01 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1s6i n ASP 128 Cb 0.04 0.50 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1s6i n ASN 129 N -2.60 0.00 -0.96 1.67 2.04 -1.11 -5.05 115.26 109.24 1s6i n ASN 129 Ca -0.22 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.92 1s6i n ASN 129 Cb 0.87 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.12 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 0.68 -3.37 0.53 9.92 -1.26 -4.70 116.55 118.36 1s6i n ASP 130 Ca 0.00 -0.47 -0.24 0.00 -0.53 0.00 0.00 54.79 53.55 1s6i n ASP 130 Cb 0.00 -0.12 0.05 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 0.85 -0.53 3.26 0.44 0.00 -1.26 -4.52 105.19 103.43 1s6i n GLY 131 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -6.07 1.29 -0.07 1.61 -2.07 -1.26 -0.28 119.66 112.82 1s6i s GLN 132 Ca 0.46 -1.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.32 1s6i s GLN 132 Cb -0.21 -0.06 0.02 0.00 -1.09 0.00 0.00 33.01 31.67 1s6i s GLN 132 CO 0.57 -0.31 -0.04 0.42 -1.32 0.00 0.00 175.29 174.61 1s6i s ILE 133 N -3.89 0.65 0.34 3.63 1.01 0.35 -3.95 121.20 119.33 1s6i s ILE 133 Ca 0.36 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 60.97 1s6i s ILE 133 Cb 0.07 -0.70 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 1s6i s ILE 133 CO 0.12 0.28 0.43 -1.81 0.00 0.00 0.00 174.94 173.96 1s6i s ASP 134 N 1.43 5.76 0.55 3.58 1.01 -1.26 0.99 116.67 128.74 1s6i s ASP 134 Ca -0.02 -0.29 0.43 0.00 0.71 0.00 0.00 52.55 53.38 1s6i s ASP 134 Cb -0.13 -1.12 1.62 0.00 1.01 0.00 0.00 42.92 44.30 1s6i s ASP 134 CO -0.03 -0.43 1.68 0.22 0.21 0.00 0.00 175.17 176.82 1s6i h TYR 135 N 0.97 0.00 0.18 4.23 3.20 -1.88 1.10 116.97 124.77 1s6i h TYR 135 Ca -0.45 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.07 1s6i h TYR 135 Cb 1.26 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.53 1s6i h TYR 135 CO 0.45 0.00 -1.75 0.78 -1.64 0.00 0.00 178.16 176.00 1s6i h GLY 136 N 0.00 0.44 0.97 1.82 0.00 -1.85 -2.46 103.07 101.99 1s6i h GLY 136 Ca 0.73 -1.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1s6i h GLY 136 CO -0.01 0.98 -0.03 0.83 0.00 0.00 0.00 176.54 178.32 1s6i h GLU 137 N 0.10 -0.08 0.71 4.80 5.08 0.70 0.07 114.58 125.96 1s6i h GLU 137 Ca -0.34 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1s6i h GLU 137 Cb 2.10 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.37 1s6i h GLU 137 CO 0.17 -0.03 -0.34 0.35 -1.00 0.00 0.00 179.01 178.17 1s6i h PHE 138 N -0.11 -0.88 -1.16 4.33 3.57 -0.53 0.14 116.94 122.30 1s6i h PHE 138 Ca -0.01 -0.02 0.33 0.00 3.53 0.00 0.00 57.97 61.80 1s6i h PHE 138 Cb 0.09 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.05 1s6i h PHE 138 CO -0.07 -0.55 0.79 0.00 -2.23 0.00 0.00 178.31 176.26 1s6i h ALA 139 N -1.37 2.76 0.00 2.41 0.00 -1.45 -2.28 119.26 119.34 1s6i h ALA 139 Ca -0.10 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1s6i h ALA 139 Cb 0.73 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1s6i h ALA 139 CO 0.16 -1.16 -0.62 0.00 0.00 0.00 0.00 179.25 177.63 1s6i h ALA 140 N 1.50 0.05 -1.27 0.00 0.00 -0.90 -3.17 119.26 115.47 1s6i h ALA 140 Ca 0.60 -0.61 0.37 0.00 0.00 0.00 0.00 54.91 55.27 1s6i h ALA 140 Cb 2.03 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 20.27 1s6i h ALA 140 CO -0.15 0.52 0.87 0.00 0.00 0.00 0.00 179.25 180.49 1s6i h MET 141 N -1.00 0.12 0.04 0.00 -0.00 -0.57 0.28 114.93 113.80 1s6i h MET 141 Ca -0.06 -0.01 -0.29 0.00 -0.00 0.00 0.00 59.70 59.34 1s6i h MET 141 Cb 0.63 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 32.17 1s6i h MET 141 CO -0.04 0.08 -1.61 0.00 -0.00 0.00 0.00 176.91 175.34 1s6i h MET 142 N 0.13 0.09 0.00 -0.10 -0.00 -1.61 -3.48 114.93 109.97 1s6i h MET 142 Ca 0.67 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 60.21 1s6i h MET 142 Cb 2.30 0.06 0.00 0.00 -0.00 0.00 0.00 31.60 33.95 1s6i h MET 142 CO -0.17 0.80 0.00 0.54 -0.00 0.00 0.00 176.91 178.08 1s6i n ARG 143 N -3.24 1.25 -0.53 -0.10 5.12 0.97 -5.10 116.66 115.03 1s6i n ARG 143 Ca -0.17 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.45 1s6i n ARG 143 Cb 1.03 0.00 0.28 0.00 -1.16 0.00 0.00 32.46 32.61 1s6i n ARG 143 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1s6i s LYS 144 N -0.97 -2.43 -0.33 5.56 -0.14 -1.26 -4.86 119.74 115.31 1s6i s LYS 144 Ca 0.00 0.16 0.08 0.00 -1.36 0.00 0.00 55.97 54.85 1s6i s LYS 144 Cb 0.00 -1.43 0.58 0.00 -1.68 0.00 0.00 37.83 35.29 1s6i s LYS 144 CO 0.00 -4.55 1.62 2.89 -0.76 0.00 0.00 175.35 174.55 1s6i n ARG 145 N -5.40 2.20 -1.72 1.68 1.85 -1.26 -4.74 116.66 109.27 1s6i n ARG 145 Ca 0.12 -3.10 -0.43 0.00 -1.00 0.00 0.00 57.85 53.44 1s6i n ARG 145 Cb 0.59 -1.96 -0.03 0.00 -1.05 0.00 0.00 32.46 30.02 1s6i n ARG 145 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1s6i s LYS 146 N -3.21 3.28 0.45 2.89 2.20 -1.26 -4.62 119.74 119.47 1s6i s LYS 146 Ca 0.49 1.92 0.31 0.00 -0.36 0.00 0.00 55.97 58.33 1s6i s LYS 146 Cb 0.42 -4.30 1.38 0.00 -1.51 0.00 0.00 37.83 33.82 1s6i s LYS 146 CO 0.05 -1.93 1.92 0.78 -0.36 0.00 0.00 175.35 175.80 1s6i h GLY 147 N 14.30 0.00 -1.66 5.54 0.00 -1.75 -3.36 103.07 116.14 1s6i h GLY 147 Ca -0.40 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.42 1s6i h GLY 147 CO 0.98 0.00 -0.40 0.70 0.00 0.00 0.00 176.54 177.82 1s6i n ASN 148 N -2.71 -1.48 0.13 0.19 3.02 -1.26 -4.72 115.26 108.42 1s6i n ASN 148 Ca 0.00 0.27 0.05 0.00 -0.03 0.00 0.00 54.58 54.87 1s6i n ASN 148 Cb 0.21 -1.25 0.28 0.00 -0.61 0.00 0.00 39.78 38.41 1s6i n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s6i n GLY 149 N 1.22 -0.55 0.00 7.41 0.00 -1.26 -0.88 105.19 111.12 1s6i n GLY 149 Ca 0.07 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.28 -0.73 0.00 -0.02 0.00 -1.26 -4.70 105.19 97.20 1s6i n GLY 150 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1s6i n GLY 150 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1s6i n ILE 151 N -1.26 0.00 0.00 -0.61 3.06 -0.06 -5.06 119.36 115.43 1s6i n ILE 151 Ca 0.07 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.32 1s6i n ILE 151 Cb 0.11 -1.28 0.00 0.00 0.54 0.00 0.00 39.64 39.01 1s6i n ILE 151 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6i n GLY 152 N 5.00 0.14 3.39 4.50 0.00 -1.26 -5.04 105.19 111.92 1s6i n GLY 152 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1s6i n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1s6i n ARG 153 N -1.24 -2.82 -2.21 1.61 3.00 -1.18 -4.25 116.66 109.57 1s6i n ARG 153 Ca 0.00 -0.80 -0.41 0.00 -0.00 0.00 0.00 57.85 56.63 1s6i n ARG 153 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 32.46 30.38 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 -4.32 4.40 0.44 -0.14 3.52 -1.26 -4.88 118.95 116.71 1s6i s ARG 154 Ca 0.67 2.08 0.29 0.00 -0.13 0.00 0.00 55.73 58.63 1s6i s ARG 154 Cb -0.22 -3.16 1.39 0.00 -1.56 0.00 0.00 34.95 31.39 1s6i s ARG 154 CO 0.64 -0.20 1.66 1.79 -0.81 0.00 0.00 175.30 178.38 1s6i h THR 155 N 3.52 0.20 -0.33 4.11 1.35 -1.96 -1.04 112.91 118.76 1s6i h THR 155 Ca -0.46 -0.05 -0.39 0.00 -0.55 0.00 0.00 66.41 64.96 1s6i h THR 155 Cb 1.22 0.06 -0.08 0.00 -1.73 0.00 0.00 68.15 67.61 1s6i h THR 155 CO 0.74 0.02 0.82 0.80 -0.25 0.00 0.00 175.52 177.65 1s6i n MET 156 N -4.63 2.63 0.00 4.72 0.00 -1.26 -4.16 117.12 114.42 1s6i n MET 156 Ca 0.35 -1.73 0.00 0.00 0.00 0.00 0.00 57.70 56.32 1s6i n MET 156 Cb 1.35 -2.24 0.00 0.00 0.00 0.00 0.00 33.22 32.33 1s6i n MET 156 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1s6i n ARG 157 N 2.28 0.00 -3.40 2.12 3.00 -0.40 -5.10 116.66 115.16 1s6i n ARG 157 Ca 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 58.31 1s6i n ARG 157 Cb 0.65 -0.00 -0.07 0.00 0.00 0.00 0.00 32.46 33.04 1s6i n ARG 157 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1s6i s LYS 158 N -1.01 0.38 0.56 -0.14 -2.85 -1.26 -5.13 119.74 110.29 1s6i s LYS 158 Ca 0.00 0.73 0.05 0.00 -1.00 0.00 0.00 55.97 55.76 1s6i s LYS 158 Cb 0.00 -0.13 0.07 0.00 -2.06 0.00 0.00 37.83 35.71 1s6i s LYS 158 CO 0.00 -0.54 0.78 0.95 0.10 0.00 0.00 175.35 176.64 1s6i s THR 159 N 2.61 2.46 -0.14 3.79 -4.23 -1.26 -3.45 115.64 115.41 1s6i s THR 159 Ca 0.10 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 1s6i s THR 159 Cb -0.14 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.10 1s6i s THR 159 CO -0.16 0.00 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.49 1s6i s LEU 160 N -4.71 2.05 -0.49 4.79 0.20 -1.26 -4.32 118.68 114.93 1s6i s LEU 160 Ca 0.60 -0.58 0.06 0.00 0.69 0.00 0.00 54.13 54.91 1s6i s LEU 160 Cb -0.08 -1.39 0.21 0.00 -0.43 0.00 0.00 46.19 44.50 1s6i s LEU 160 CO 0.39 0.06 0.74 -3.20 -0.29 0.00 0.00 176.35 174.04 1s6i n ASN 161 N 4.15 -2.70 -4.57 3.68 2.85 -1.26 -4.87 115.26 112.53 1s6i n ASN 161 Ca -0.20 -2.99 -0.32 0.00 -0.11 0.00 0.00 54.58 50.96 1s6i n ASN 161 Cb 0.51 1.39 -0.07 0.00 1.24 0.00 0.00 39.78 42.85 1s6i n ASN 161 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1s6i s LEU 162 N 0.06 2.15 -1.25 1.20 1.43 -1.26 -5.06 118.68 115.94 1s6i s LEU 162 Ca 0.31 -1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 51.56 1s6i s LEU 162 Cb 0.10 -0.53 0.14 0.00 0.03 0.00 0.00 46.19 45.93 1s6i s LEU 162 CO -0.14 -0.93 1.59 0.54 0.23 0.00 0.00 176.35 177.64 1s6i n ARG 163 N -1.21 3.32 -3.32 1.70 3.00 -1.26 -4.98 116.66 113.91 1s6i n ARG 163 Ca -0.17 -3.62 -0.24 0.00 -0.01 0.00 0.00 57.85 53.81 1s6i n ARG 163 Cb 0.66 -3.17 -0.01 0.00 0.00 0.00 0.00 32.46 29.94 1s6i n ARG 163 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1s6i s ASP 164 N 3.08 6.30 -0.12 0.55 2.15 -1.26 -5.01 116.67 122.37 1s6i s ASP 164 Ca 0.46 0.50 -0.29 0.00 0.43 0.00 0.00 52.55 53.66 1s6i s ASP 164 Cb 0.01 -2.06 -0.07 0.00 -0.30 0.00 0.00 42.92 40.51 1s6i s ASP 164 CO 0.02 -0.31 2.13 0.00 -0.17 0.00 0.00 175.17 176.84 1s6i n ALA 165 N -1.76 1.72 -0.01 3.66 0.00 -1.26 -4.78 120.51 118.07 1s6i n ALA 165 Ca -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 1s6i n ALA 165 Cb 0.56 -2.83 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 1s6i n ALA 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s6i n LEU 166 N 10.07 0.00 -3.16 0.00 -0.00 -1.26 -4.78 117.00 117.88 1s6i n LEU 166 Ca 0.26 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.96 1s6i n LEU 166 Cb 0.43 0.05 -0.02 0.00 -0.00 0.00 0.00 43.42 43.88 1s6i n LEU 166 CO 0.67 0.05 0.55 0.61 -0.00 0.00 0.00 177.39 179.27 1s6i n GLY 167 N 2.68 5.78 3.88 -3.96 0.00 -1.26 -5.05 105.19 107.26 1s6i n GLY 167 Ca -0.04 -2.73 -0.31 0.00 0.00 0.00 0.00 46.02 42.95 1s6i n GLY 167 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s6i s LEU 168 N -3.74 4.09 0.44 0.99 2.96 -1.26 -5.07 118.68 117.09 1s6i s LEU 168 Ca 0.46 0.89 -0.23 0.00 -0.22 0.00 0.00 54.13 55.03 1s6i s LEU 168 Cb 0.25 -3.68 -0.08 0.00 0.50 0.00 0.00 46.19 43.17 1s6i s LEU 168 CO -0.14 -0.15 1.07 0.68 -1.32 0.00 0.00 176.35 176.49 1s6i s VAL 169 N -1.97 3.58 -0.26 1.68 -7.23 -1.26 -5.03 120.40 109.91 1s6i s VAL 169 Ca 0.47 1.14 -0.09 0.00 -1.81 0.00 0.00 61.98 61.70 1s6i s VAL 169 Cb -0.11 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1s6i s VAL 169 CO 0.25 -0.06 0.11 -1.81 -0.31 0.00 0.00 175.10 173.28 1s6i s ASP 170 N -1.63 5.45 0.26 4.85 1.01 -1.26 -4.96 116.67 120.40 1s6i s ASP 170 Ca 0.62 -0.13 0.26 0.00 0.71 0.00 0.00 52.55 54.00 1s6i s ASP 170 Cb -0.22 -1.99 0.75 0.00 1.01 0.00 0.00 42.92 42.47 1s6i s ASP 170 CO 0.27 -0.03 1.75 -1.13 0.21 0.00 0.00 175.17 176.24 1s6i h ASN 171 N 8.22 0.00 0.00 0.27 -1.24 -2.06 -3.46 115.58 117.31 1s6i h ASN 171 Ca -0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1s6i h ASN 171 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 1s6i h ASN 171 CO 0.57 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.32 1s6i n GLY 172 N 1.15 1.74 3.64 1.57 0.00 -1.26 -5.09 105.19 106.93 1s6i n GLY 172 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1s6i n GLY 172 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6i s SER 173 N -1.52 -0.67 -1.01 1.61 0.15 -1.26 -5.06 113.70 105.94 1s6i s SER 173 Ca 0.00 1.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.83 1s6i s SER 173 Cb 0.00 1.25 0.17 0.00 -1.71 0.00 0.00 66.02 65.72 1s6i s SER 173 CO 0.00 -0.20 2.34 -3.20 1.20 0.00 0.00 173.24 173.37 1s6i n ASN 174 N 2.94 7.49 -4.55 5.45 4.05 -1.26 -4.95 115.26 124.43 1s6i n ASN 174 Ca -0.15 -3.33 -0.38 0.00 0.45 0.00 0.00 54.58 51.17 1s6i n ASN 174 Cb 0.56 -1.27 -0.03 0.00 1.23 0.00 0.00 39.78 40.28 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1s6i s GLN 175 N -2.19 2.60 0.33 1.20 0.74 -1.26 -4.95 119.66 116.12 1s6i s GLN 175 Ca 0.52 0.62 -0.28 0.00 0.05 0.00 0.00 55.36 56.28 1s6i s GLN 175 Cb 0.26 -4.41 -0.10 0.00 1.10 0.00 0.00 33.01 29.86 1s6i s GLN 175 CO -0.16 -2.77 1.19 0.14 -0.55 0.00 0.00 175.29 173.14 1s6i s VAL 176 N 9.24 3.12 -0.29 1.34 -7.23 -1.26 -4.98 120.40 120.35 1s6i s VAL 176 Ca 0.69 1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 61.65 1s6i s VAL 176 Cb -0.13 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1s6i s VAL 176 CO 0.20 0.22 1.02 -0.63 -0.31 0.00 0.00 175.10 175.60 1s6i s ILE 177 N -1.23 4.61 0.06 -0.62 1.09 -1.26 -5.03 121.20 118.82 1s6i s ILE 177 Ca 0.49 1.75 0.05 0.00 -1.10 0.00 0.00 60.65 61.84 1s6i s ILE 177 Cb -0.34 -4.34 -0.04 0.00 -1.06 0.00 0.00 42.46 36.68 1s6i s ILE 177 CO 0.45 -0.34 -0.04 -1.61 -0.10 0.00 0.00 174.94 173.29 1s6i s GLU 178 N 3.40 2.49 0.00 2.79 2.02 -1.26 -5.09 118.70 123.05 1s6i s GLU 178 Ca 0.43 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1s6i s GLU 178 Cb -0.13 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1s6i s GLU 178 CO 0.12 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.37 1s6i n GLY 179 N 0.92 -1.17 2.84 -1.39 0.00 -1.26 -5.11 105.19 100.03 1s6i n GLY 179 Ca -0.13 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 1s6i n GLY 179 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s6i s TYR 180 N -3.00 2.59 0.40 1.61 5.04 -1.26 -5.10 117.35 117.63 1s6i s TYR 180 Ca 0.00 -2.59 0.04 0.00 -2.44 0.00 0.00 57.07 52.08 1s6i s TYR 180 Cb 0.00 -2.30 -0.03 0.00 0.35 0.00 0.00 41.96 39.99 1s6i s TYR 180 CO 0.00 -0.83 0.13 -0.59 -1.34 0.00 0.00 175.55 172.93 1s6i s PHE 181 N 0.57 1.78 0.00 4.97 -0.12 -1.26 -5.38 117.98 118.55 1s6i s PHE 181 Ca 0.14 -1.29 0.00 0.00 -0.05 0.00 0.00 56.93 55.74 1s6i s PHE 181 Cb -0.22 -1.13 0.00 0.00 -0.63 0.00 0.00 43.02 41.03 1s6i s PHE 181 CO -0.07 -0.32 0.00 1.63 -0.05 0.00 0.00 175.22 176.42