#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6i n GLU 2 N 0.00 2.01 0.00 0.00 1.02 -1.26 -5.02 120.64 117.39 1s6i n GLU 2 Ca 0.00 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.03 1s6i n GLU 2 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -1.03 -0.29 0.00 3.49 -4.01 -1.26 -5.07 116.66 108.49 1s6i n ARG 3 Ca 0.31 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.12 1s6i n ARG 3 Cb 1.01 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.43 1s6i n ARG 3 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1s6i n LEU 4 N 0.00 0.00 -4.72 2.89 7.99 -1.26 -5.06 117.00 116.84 1s6i n LEU 4 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 56.01 55.69 1s6i n LEU 4 Cb 0.00 -0.15 0.13 0.00 -0.11 0.00 0.00 43.42 43.29 1s6i n LEU 4 CO 0.00 -0.43 0.68 -0.44 -1.51 0.00 0.00 177.39 175.69 1s6i s SER 5 N -3.93 3.72 -0.02 -1.43 0.01 -1.26 -5.06 113.70 105.73 1s6i s SER 5 Ca 0.00 1.83 0.02 0.00 1.31 0.00 0.00 55.95 59.12 1s6i s SER 5 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1s6i s SER 5 CO 0.00 -2.54 -0.08 -0.70 0.41 0.00 0.00 173.24 170.33 1s6i s GLU 6 N -4.82 0.84 0.06 12.44 2.12 -1.26 -5.03 118.70 123.05 1s6i s GLU 6 Ca 0.63 -0.28 0.13 0.00 0.36 0.00 0.00 54.97 55.81 1s6i s GLU 6 Cb -0.19 -0.80 -0.17 0.00 0.26 0.00 0.00 34.13 33.23 1s6i s GLU 6 CO 0.57 0.12 0.93 1.49 -0.54 0.00 0.00 175.26 177.83 1s6i h GLU 7 N 6.29 0.00 0.00 4.30 4.22 -1.97 -3.32 114.58 124.10 1s6i h GLU 7 Ca -0.33 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.11 1s6i h GLU 7 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1s6i h GLU 7 CO 0.49 0.54 -0.04 1.49 -2.18 0.00 0.00 179.01 179.32 1s6i h GLU 8 N 0.00 0.00 0.00 1.92 4.57 -2.01 -1.78 114.58 117.28 1s6i h GLU 8 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1s6i h GLU 8 Cb 1.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 1s6i h GLU 8 CO 0.08 0.04 0.09 0.82 -1.18 0.00 0.00 179.01 178.86 1s6i h ILE 9 N 0.00 0.00 -2.13 2.32 2.04 -2.01 -3.42 117.51 114.31 1s6i h ILE 9 Ca -0.00 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 65.37 1s6i h ILE 9 Cb 0.08 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1s6i h ILE 9 CO 0.00 0.00 -0.49 -0.83 0.00 0.00 0.00 178.15 176.83 1s6i s GLY 10 N -3.95 1.43 -1.31 5.37 0.00 -0.67 -4.48 107.32 103.70 1s6i s GLY 10 Ca -0.04 -1.42 -0.00 0.00 0.00 0.00 0.00 44.72 43.26 1s6i s GLY 10 CO 0.34 -1.43 0.01 0.61 0.00 0.00 0.00 173.10 172.63 1s6i n GLY 11 N -1.27 -0.27 0.32 0.20 0.00 -1.26 -4.86 105.19 98.05 1s6i n GLY 11 Ca -0.07 -0.23 0.18 0.00 0.00 0.00 0.00 46.02 45.89 1s6i n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6i h LEU 12 N -0.03 0.00 0.22 0.99 3.38 -1.81 0.18 115.31 118.25 1s6i h LEU 12 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1s6i h LEU 12 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1s6i h LEU 12 CO 0.43 0.00 -0.11 0.50 0.09 0.00 0.00 178.44 179.36 1s6i h LYS 13 N 0.00 -0.29 0.00 1.13 3.64 -1.97 0.54 116.57 119.63 1s6i h LYS 13 Ca 0.01 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1s6i h LYS 13 Cb 0.06 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1s6i h LYS 13 CO -0.00 0.07 -0.07 1.49 -2.27 0.00 0.00 179.45 178.67 1s6i h GLU 14 N -0.71 0.00 -0.05 1.90 4.81 -1.75 -1.08 114.58 117.71 1s6i h GLU 14 Ca -0.03 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.97 1s6i h GLU 14 Cb 0.49 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.88 1s6i h GLU 14 CO 0.05 0.07 -0.89 1.25 -0.73 0.00 0.00 179.01 178.76 1s6i h LEU 15 N 0.00 0.73 -0.29 1.64 5.85 -0.25 -0.84 115.31 122.15 1s6i h LEU 15 Ca -0.00 -0.54 -0.00 0.00 0.84 0.00 0.00 57.88 58.18 1s6i h LEU 15 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1s6i h LEU 15 CO 0.01 1.33 0.16 0.15 -0.34 0.00 0.00 178.44 179.75 1s6i h PHE 16 N 0.36 0.39 0.00 1.25 3.57 0.14 -0.32 116.94 122.33 1s6i h PHE 16 Ca -0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1s6i h PHE 16 Cb 1.52 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1s6i h PHE 16 CO 0.08 0.32 0.00 0.36 -2.23 0.00 0.00 178.31 176.83 1s6i n LYS 17 N -4.83 0.15 0.20 1.11 2.85 -0.98 -1.72 118.16 114.93 1s6i n LYS 17 Ca -0.02 0.22 0.14 0.00 -1.05 0.00 0.00 58.31 57.61 1s6i n LYS 17 Cb 0.07 -1.71 0.45 0.00 -0.65 0.00 0.00 35.03 33.19 1s6i n LYS 17 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1s6i h MET 18 N 0.00 0.00 0.00 -1.58 2.86 0.44 -3.31 114.93 113.34 1s6i h MET 18 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6i h MET 18 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1s6i h MET 18 CO 0.00 0.00 -0.10 0.82 1.06 0.00 0.00 176.91 178.69 1s6i h ILE 19 N 0.00 0.00 0.00 -1.22 1.08 -0.68 -3.40 117.51 113.29 1s6i h ILE 19 Ca 0.00 -0.80 -0.58 0.00 -0.39 0.00 0.00 64.86 63.09 1s6i h ILE 19 Cb 0.66 0.00 0.02 0.00 -3.07 0.00 0.00 36.82 34.44 1s6i h ILE 19 CO 0.00 0.00 3.46 -0.90 -0.69 0.00 0.00 178.15 180.02 1s6i n ASP 20 N -4.21 7.70 -0.13 1.72 5.75 -1.21 -3.82 116.55 122.34 1s6i n ASP 20 Ca -0.01 -2.50 0.13 0.00 -0.01 0.00 0.00 54.79 52.40 1s6i n ASP 20 Cb 0.05 -1.43 0.47 0.00 -1.03 0.00 0.00 41.12 39.18 1s6i n ASP 20 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1s6i n THR 21 N 3.72 0.00 -0.03 2.12 5.66 -1.26 -3.49 114.28 121.01 1s6i n THR 21 Ca 0.69 -0.07 -0.02 0.00 -3.05 0.00 0.00 64.05 61.60 1s6i n THR 21 Cb 0.21 0.11 -0.05 0.00 -1.55 0.00 0.00 70.33 69.05 1s6i n THR 21 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1s6i n ASP 22 N -0.98 3.45 0.00 1.09 8.00 -1.26 -4.93 116.55 121.92 1s6i n ASP 22 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1s6i n ASP 22 Cb 0.32 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 1s6i n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s6i n ASN 23 N -2.14 0.00 -0.09 -2.24 3.02 -1.26 -5.02 115.26 107.54 1s6i n ASN 23 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1s6i n ASN 23 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1s6i n SER 24 N -0.01 0.00 0.00 6.41 3.41 -1.26 -4.95 113.62 117.21 1s6i n SER 24 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 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 1.70 2.96 5.00 0.00 -1.23 -5.12 105.19 108.51 1s6i n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1s6i n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6i s THR 26 N -2.00 0.29 -0.47 2.61 -4.23 -1.26 -4.77 115.64 105.80 1s6i s THR 26 Ca 0.00 -0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 59.92 1s6i s THR 26 Cb 0.00 -0.30 0.09 0.00 1.34 0.00 0.00 72.50 73.62 1s6i s THR 26 CO 0.00 -0.11 0.37 -0.63 -0.54 0.00 0.00 174.62 173.71 1s6i s ILE 27 N -0.56 4.88 0.34 2.99 1.01 0.55 -4.44 121.20 125.97 1s6i s ILE 27 Ca -0.04 -1.29 0.07 0.00 0.00 0.00 0.00 60.65 59.39 1s6i s ILE 27 Cb -0.04 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1s6i s ILE 27 CO -0.00 -0.63 0.36 0.42 0.00 0.00 0.00 174.94 175.09 1s6i s THR 28 N 1.55 3.66 0.34 2.92 -4.23 -1.25 0.19 115.64 118.82 1s6i s THR 28 Ca 0.04 -1.23 0.27 0.00 -1.18 0.00 0.00 61.69 59.58 1s6i s THR 28 Cb -0.25 -3.25 0.40 0.00 1.34 0.00 0.00 72.50 70.74 1s6i s THR 28 CO 0.04 -0.16 1.11 0.33 -0.54 0.00 0.00 174.62 175.41 1s6i n PHE 29 N -1.48 0.37 -0.03 3.99 7.35 -1.00 0.16 117.46 126.82 1s6i n PHE 29 Ca -0.01 0.37 -0.16 0.00 -0.76 0.00 0.00 57.45 56.90 1s6i n PHE 29 Cb 0.59 -0.76 -0.13 0.00 0.35 0.00 0.00 39.48 39.53 1s6i n PHE 29 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1s6i h ASP 30 N 0.00 0.17 1.04 -2.13 3.58 -1.93 -3.28 116.42 113.88 1s6i h ASP 30 Ca 0.64 -0.95 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1s6i h ASP 30 Cb 2.20 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 43.20 1s6i h ASP 30 CO -0.25 1.11 0.00 -0.62 -2.88 0.00 0.00 179.24 176.60 1s6i n GLU 31 N -4.45 0.21 0.29 0.28 4.71 0.38 -2.24 120.64 119.82 1s6i n GLU 31 Ca -0.11 0.31 -0.17 0.00 -0.01 0.00 0.00 57.16 57.19 1s6i n GLU 31 Cb 0.58 -1.81 -0.08 0.00 -1.01 0.00 0.00 31.44 29.12 1s6i n GLU 31 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1s6i h LEU 32 N 0.00 -0.77 -0.02 -4.62 7.12 0.15 -1.62 115.31 115.55 1s6i h LEU 32 Ca 0.00 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.01 1s6i h LEU 32 Cb 0.52 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1s6i h LEU 32 CO 0.00 -0.48 -0.16 0.07 -0.13 0.00 0.00 178.44 177.74 1s6i h LYS 33 N -0.77 0.15 -0.52 1.25 2.10 -1.69 -3.35 116.57 113.74 1s6i h LYS 33 Ca -0.06 -0.13 0.05 0.00 -2.00 0.00 0.00 60.65 58.51 1s6i h LYS 33 Cb 0.63 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 31.92 1s6i h LYS 33 CO 0.06 0.81 -0.31 -3.47 -2.00 0.00 0.00 179.45 174.54 1s6i n ASP 34 N -4.60 -0.55 -0.33 7.07 2.03 -0.95 0.14 116.55 119.36 1s6i n ASP 34 Ca -0.09 1.30 0.17 0.00 0.52 0.00 0.00 54.79 56.69 1s6i n ASP 34 Cb 0.43 -0.31 0.38 0.00 -0.72 0.00 0.00 41.12 40.90 1s6i n ASP 34 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1s6i h GLY 35 N 0.00 1.81 0.00 0.27 0.00 -1.39 0.26 103.07 104.01 1s6i h GLY 35 Ca 0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 1s6i h GLY 35 CO -0.49 -0.31 -1.21 -0.10 0.00 0.00 0.00 176.54 174.43 1s6i n LEU 36 N -4.99 1.89 0.27 3.11 -0.00 -0.30 -4.27 117.00 112.72 1s6i n LEU 36 Ca 0.26 0.45 0.09 0.00 -0.00 0.00 0.00 56.01 56.81 1s6i n LEU 36 Cb 0.77 -0.84 0.51 0.00 -0.00 0.00 0.00 43.42 43.85 1s6i n LEU 36 CO 0.13 -0.06 0.98 0.50 -0.00 0.00 0.00 177.39 178.95 1s6i h LYS 37 N -1.00 0.00 -0.47 1.96 3.64 0.12 -0.09 116.57 120.73 1s6i h LYS 37 Ca -0.21 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.06 1s6i h LYS 37 Cb 1.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1s6i h LYS 37 CO -0.13 0.00 -0.14 0.07 -2.27 0.00 0.00 179.45 176.98 1s6i h ARG 38 N 0.00 0.89 -0.97 1.90 0.11 -1.06 -2.97 114.38 112.28 1s6i h ARG 38 Ca 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1s6i h ARG 38 Cb 0.89 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.91 1s6i h ARG 38 CO 0.00 0.97 0.00 1.33 0.10 0.00 0.00 179.97 182.37 1s6i n VAL 39 N -4.14 0.32 0.00 0.08 0.24 -0.05 -4.72 118.33 110.06 1s6i n VAL 39 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1s6i n VAL 39 Cb 0.40 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 0.23 3.02 3.68 7.63 0.00 -1.13 -5.06 105.19 113.55 1s6i n GLY 40 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1s6i n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6i n SER 41 N 0.00 0.87 -3.68 1.61 7.64 -1.20 -5.00 113.62 113.87 1s6i n SER 41 Ca 0.00 0.57 -0.27 0.00 1.01 0.00 0.00 58.87 60.18 1s6i n SER 41 Cb 0.00 -1.49 -0.17 0.00 -1.01 0.00 0.00 64.21 61.54 1s6i n SER 41 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1s6i s GLU 42 N -4.09 0.41 0.34 1.43 2.02 -1.26 -4.25 118.70 113.30 1s6i s GLU 42 Ca 0.73 -0.32 0.08 0.00 0.02 0.00 0.00 54.97 55.48 1s6i s GLU 42 Cb -0.29 -1.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.93 1s6i s GLU 42 CO 0.52 -0.68 0.11 -0.51 0.02 0.00 0.00 175.26 174.71 1s6i s LEU 43 N 1.97 3.17 0.23 1.80 1.43 -1.26 -5.08 118.68 120.94 1s6i s LEU 43 Ca 0.01 -0.85 0.09 0.00 -1.03 0.00 0.00 54.13 52.35 1s6i s LEU 43 Cb -0.17 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1s6i s LEU 43 CO -0.10 -0.29 -0.05 -0.04 0.23 0.00 0.00 176.35 176.09 1s6i s MET 44 N -3.81 2.17 0.07 1.70 -1.94 -1.26 -5.03 119.30 111.20 1s6i s MET 44 Ca 0.37 -1.36 -0.16 0.00 -1.71 0.00 0.00 55.69 52.82 1s6i s MET 44 Cb -0.01 -2.15 -0.05 0.00 2.01 0.00 0.00 34.83 34.63 1s6i s MET 44 CO 0.22 0.39 1.27 0.93 -0.01 0.00 0.00 175.02 177.83 1s6i h GLU 45 N 2.35 -0.16 -1.61 2.03 5.08 -2.00 0.14 114.58 120.40 1s6i h GLU 45 Ca -0.45 0.01 0.47 0.00 -1.00 0.00 0.00 59.36 58.39 1s6i h GLU 45 Cb 1.23 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 1s6i h GLU 45 CO 0.58 -0.11 1.21 1.03 -1.00 0.00 0.00 179.01 180.72 1s6i h SER 46 N -0.17 0.00 -0.34 1.42 0.87 -1.99 1.29 113.55 114.64 1s6i h SER 46 Ca 0.04 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.44 1s6i h SER 46 Cb 0.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1s6i h SER 46 CO -0.33 0.00 -0.44 -0.33 -0.53 0.00 0.00 176.83 175.21 1s6i h GLU 47 N 0.00 0.89 0.89 2.24 4.39 -1.14 -0.79 114.58 121.06 1s6i h GLU 47 Ca 0.76 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 1s6i h GLU 47 Cb 3.17 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 31.86 1s6i h GLU 47 CO -0.01 1.15 -0.45 0.82 -1.16 0.00 0.00 179.01 179.37 1s6i h ILE 48 N 0.69 0.00 -0.23 3.13 5.03 0.20 -0.22 117.51 126.12 1s6i h ILE 48 Ca 0.04 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.85 1s6i h ILE 48 Cb 1.04 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 1s6i h ILE 48 CO 0.10 0.00 0.22 0.50 -0.68 0.00 0.00 178.15 178.29 1s6i h LYS 49 N -1.22 0.00 -0.23 2.37 3.64 -1.47 0.42 116.57 120.07 1s6i h LYS 49 Ca -0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1s6i h LYS 49 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1s6i h LYS 49 CO 0.19 0.00 -0.00 0.22 -2.27 0.00 0.00 179.45 177.59 1s6i h ASP 50 N 0.00 0.41 0.70 4.20 3.58 -0.41 -2.12 116.42 122.78 1s6i h ASP 50 Ca 0.11 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1s6i h ASP 50 Cb 0.55 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1s6i h ASP 50 CO -0.00 0.62 -0.06 0.25 -2.88 0.00 0.00 179.24 177.17 1s6i h LEU 51 N 0.18 0.00 -0.11 2.28 6.46 0.84 0.14 115.31 125.11 1s6i h LEU 51 Ca 0.07 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.68 1s6i h LEU 51 Cb 0.42 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1s6i h LEU 51 CO 0.01 0.06 -0.49 0.24 -0.62 0.00 0.00 178.44 177.65 1s6i h MET 52 N 0.00 0.53 0.00 1.25 2.86 -0.78 0.33 114.93 119.12 1s6i h MET 52 Ca -0.00 -0.42 -0.10 0.00 -2.06 0.00 0.00 59.70 57.12 1s6i h MET 52 Cb 0.43 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1s6i h MET 52 CO 0.01 1.05 -0.98 0.22 1.06 0.00 0.00 176.91 178.26 1s6i h ASP 53 N 0.13 0.00 0.61 1.22 3.58 -1.15 -1.85 116.42 118.96 1s6i h ASP 53 Ca -0.03 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.25 1s6i h ASP 53 Cb 1.13 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 1s6i h ASP 53 CO 0.10 0.37 -1.52 0.00 -2.88 0.00 0.00 179.24 175.31 1s6i n ALA 54 N -2.28 1.97 0.00 -0.78 0.00 0.48 -4.74 120.51 115.16 1s6i n ALA 54 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1s6i n ALA 54 Cb 0.72 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.41 2.38 -1.55 0.00 0.00 0.99 -4.87 120.51 115.05 1s6i n ALA 55 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1s6i n ALA 55 Cb 0.84 0.31 -0.06 0.00 0.00 0.00 0.00 19.45 20.54 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 -2.38 1.94 0.32 0.00 -0.08 -0.11 -4.55 116.55 111.68 1s6i n ASP 56 Ca 0.00 -1.02 0.13 0.00 -1.51 0.00 0.00 54.79 52.39 1s6i n ASP 56 Cb 0.31 -1.60 0.69 0.00 2.34 0.00 0.00 41.12 42.87 1s6i n ASP 56 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1s6i h ILE 57 N 7.69 0.00 -0.85 5.18 1.08 -1.82 0.20 117.51 129.00 1s6i h ILE 57 Ca -0.10 0.00 -0.42 0.00 -0.39 0.00 0.00 64.86 63.94 1s6i h ILE 57 Cb 1.13 0.56 -0.41 0.00 -3.07 0.00 0.00 36.82 35.02 1s6i h ILE 57 CO 1.09 0.00 -0.97 -0.67 -0.69 0.00 0.00 178.15 176.91 1s6i n ASP 58 N -2.76 3.13 -2.80 1.72 -0.08 -1.26 -5.05 116.55 109.45 1s6i n ASP 58 Ca -0.02 -2.99 -0.11 0.00 -1.51 0.00 0.00 54.79 50.16 1s6i n ASP 58 Cb 0.43 -0.44 -0.12 0.00 2.34 0.00 0.00 41.12 43.33 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 -0.50 0.00 -0.21 -0.67 0.00 0.06 -4.57 118.16 112.26 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 0.83 -0.63 0.07 0.00 0.00 0.00 0.00 35.03 35.29 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 3.38 1.31 -0.17 3.14 3.41 -1.26 -4.95 113.62 118.48 1s6i n SER 60 Ca 0.35 -2.45 -0.02 0.00 -0.26 0.00 0.00 58.87 56.49 1s6i n SER 60 Cb 0.13 -0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.73 0.56 3.13 5.00 0.00 -1.26 -5.00 105.19 106.89 1s6i n GLY 61 Ca 0.08 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.99 0.02 -0.04 2.61 2.01 -1.23 -2.38 115.64 114.65 1s6i s THR 62 Ca 0.00 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1s6i s THR 62 Cb 0.00 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1s6i s THR 62 CO 0.00 -0.09 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.08 1s6i s ILE 63 N -0.28 1.12 0.38 1.82 1.01 0.51 -4.77 121.20 120.99 1s6i s ILE 63 Ca -0.04 -0.52 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1s6i s ILE 63 Cb -0.03 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1s6i s ILE 63 CO 0.01 0.34 0.34 -1.81 0.00 0.00 0.00 174.94 173.82 1s6i s ASP 64 N 0.30 5.15 0.25 3.58 1.01 -1.26 -0.33 116.67 125.37 1s6i s ASP 64 Ca -0.07 -0.64 0.07 0.00 0.71 0.00 0.00 52.55 52.62 1s6i s ASP 64 Cb -0.12 -0.73 0.76 0.00 1.01 0.00 0.00 42.92 43.83 1s6i s ASP 64 CO 0.02 -0.53 1.20 0.00 0.21 0.00 0.00 175.17 176.07 1s6i n TYR 65 N -1.48 0.64 0.13 4.23 9.36 -1.26 0.69 117.16 129.48 1s6i n TYR 65 Ca 0.01 0.91 -0.11 0.00 3.32 0.00 0.00 57.90 62.04 1s6i n TYR 65 Cb 0.61 -1.17 -0.07 0.00 -0.63 0.00 0.00 39.34 38.08 1s6i n TYR 65 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1s6i h GLY 66 N 0.00 -0.41 1.62 2.98 0.00 -2.01 -2.96 103.07 102.31 1s6i h GLY 66 Ca 0.53 0.15 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1s6i h GLY 66 CO -0.67 -0.15 0.18 0.83 0.00 0.00 0.00 176.54 176.74 1s6i h GLU 67 N -0.92 0.00 0.58 4.80 5.08 -0.73 -1.91 114.58 121.48 1s6i h GLU 67 Ca -0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1s6i h GLU 67 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1s6i h GLU 67 CO 0.07 0.00 -0.28 0.35 -1.00 0.00 0.00 179.01 178.15 1s6i h PHE 68 N 0.00 -0.72 -0.00 4.33 3.57 0.41 -3.13 116.94 121.40 1s6i h PHE 68 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1s6i h PHE 68 Cb 0.37 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 1s6i h PHE 68 CO 0.00 -0.45 0.00 0.82 -2.23 0.00 0.00 178.31 176.45 1s6i h ILE 69 N -1.21 0.61 0.00 1.41 1.08 -1.23 0.16 117.51 118.34 1s6i h ILE 69 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1s6i h ILE 69 Cb 0.60 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1s6i h ILE 69 CO 0.13 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.59 1s6i n ALA 70 N -2.36 1.17 -0.06 1.87 0.00 -0.78 -0.07 120.51 120.28 1s6i n ALA 70 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1s6i n ALA 70 Cb 0.08 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.44 1.49 0.97 0.00 0.00 0.56 -3.59 120.51 118.49 1s6i n ALA 71 Ca 0.01 -1.05 0.14 0.00 0.00 0.00 0.00 53.44 52.54 1s6i n ALA 71 Cb 0.03 -0.51 0.58 0.00 0.00 0.00 0.00 19.45 19.54 1s6i n ALA 71 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s6i n THR 72 N -2.91 0.05 0.58 0.00 -2.24 0.90 -2.65 114.28 108.01 1s6i n THR 72 Ca -0.25 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1s6i n THR 72 Cb 1.10 -0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 1s6i n THR 72 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1s6i n VAL 73 N -1.56 0.13 0.04 2.28 3.14 -0.56 -3.98 118.33 117.82 1s6i n VAL 73 Ca 0.07 -0.23 -0.12 0.00 -2.96 0.00 0.00 64.34 61.10 1s6i n VAL 73 Cb 0.35 0.29 -0.09 0.00 -1.06 0.00 0.00 33.84 33.33 1s6i n VAL 73 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1s6i h HIS 74 N 0.00 -0.15 0.00 1.45 6.17 -1.56 -2.62 115.15 118.43 1s6i h HIS 74 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1s6i h HIS 74 Cb 0.72 0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.70 1s6i h HIS 74 CO 0.00 0.32 0.00 1.37 0.71 0.00 0.00 177.93 180.33 1s6i h LEU 75 N -0.76 0.00-10.73 0.26 -0.00 -1.75 -3.42 115.31 98.91 1s6i h LEU 75 Ca -0.02 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.41 1s6i h LEU 75 Cb 0.54 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.34 1s6i h LEU 75 CO 0.03 0.00 0.38 0.21 -0.00 0.00 0.00 178.44 179.05 1s6i s ASN 76 N -4.42 3.77 0.08 0.17 2.47 -0.99 -4.93 114.94 111.09 1s6i s ASN 76 Ca -0.02 0.38 -0.20 0.00 0.42 0.00 0.00 52.86 53.43 1s6i s ASN 76 Cb 0.08 -0.63 -0.11 0.00 -1.45 0.00 0.00 41.25 39.14 1s6i s ASN 76 CO 0.29 -2.32 0.46 2.29 -3.72 0.00 0.00 177.10 174.10 1s6i n LYS 77 N -3.48 0.00 -0.73 0.43 2.85 -1.26 -4.07 118.16 111.90 1s6i n LYS 77 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1s6i n LYS 77 Cb 0.60 -0.75 0.00 0.00 -0.65 0.00 0.00 35.03 34.23 1s6i n LYS 77 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1s6i n LEU 78 N 1.13 -1.41 -4.28 -5.58 4.77 -1.26 -4.76 117.00 105.61 1s6i n LEU 78 Ca 0.12 -0.98 -0.44 0.00 -0.03 0.00 0.00 56.01 54.68 1s6i n LEU 78 Cb 0.12 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1s6i n LEU 78 CO 0.36 -1.14 0.77 1.21 -1.33 0.00 0.00 177.39 177.27 1s6i n GLU 79 N 3.23 3.53 -4.25 3.23 4.07 -1.26 -5.00 120.64 124.19 1s6i n GLU 79 Ca 0.00 -4.47 -0.16 0.00 -0.06 0.00 0.00 57.16 52.47 1s6i n GLU 79 Cb 0.35 -2.53 -0.10 0.00 -0.06 0.00 0.00 31.44 29.10 1s6i n GLU 79 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1s6i s ARG 80 N -1.45 1.04 0.22 5.31 3.52 -1.26 -4.72 118.95 121.61 1s6i s ARG 80 Ca 0.31 -1.36 0.02 0.00 -0.13 0.00 0.00 55.73 54.56 1s6i s ARG 80 Cb -0.08 -0.73 -0.01 0.00 -1.56 0.00 0.00 34.95 32.57 1s6i s ARG 80 CO -0.07 0.11 0.06 0.39 -0.81 0.00 0.00 175.30 174.99 1s6i n GLU 81 N 0.10 0.85 -1.35 5.12 -0.58 -1.26 -5.15 120.64 118.37 1s6i n GLU 81 Ca -0.12 -1.81 -0.30 0.00 -0.42 0.00 0.00 57.16 54.50 1s6i n GLU 81 Cb 0.59 0.90 0.10 0.00 -0.57 0.00 0.00 31.44 32.46 1s6i n GLU 81 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1s6i s GLU 82 N -2.83 1.97 -0.30 3.49 2.12 -1.26 -5.07 118.70 116.82 1s6i s GLU 82 Ca 0.09 0.90 -0.13 0.00 0.36 0.00 0.00 54.97 56.20 1s6i s GLU 82 Cb 0.00 -1.88 0.17 0.00 0.26 0.00 0.00 34.13 32.68 1s6i s GLU 82 CO 0.06 -1.77 0.97 0.54 -0.54 0.00 0.00 175.26 174.53 1s6i s ASN 83 N -3.57 -0.62 -0.06 -1.70 4.22 -1.26 -5.05 114.94 106.90 1s6i s ASN 83 Ca 0.61 0.58 -0.04 0.00 -2.14 0.00 0.00 52.86 51.87 1s6i s ASN 83 Cb -0.16 1.59 -0.01 0.00 1.28 0.00 0.00 41.25 43.95 1s6i s ASN 83 CO 0.56 -0.12 -0.08 -0.11 -2.04 0.00 0.00 177.10 175.31 1s6i n LEU 84 N 5.24 0.77 0.08 3.54 0.00 -1.26 -4.23 117.00 121.15 1s6i n LEU 84 Ca -0.07 0.40 -0.10 0.00 0.00 0.00 0.00 56.01 56.25 1s6i n LEU 84 Cb 0.53 -0.66 -0.07 0.00 0.00 0.00 0.00 43.42 43.22 1s6i n LEU 84 CO -0.06 -0.49 0.15 -0.37 0.00 0.00 0.00 177.39 176.63 1s6i h VAL 85 N -0.43 1.57 -0.12 1.96 -1.51 -2.00 -3.02 116.25 112.70 1s6i h VAL 85 Ca 0.00 -2.96 0.04 0.00 -1.23 0.00 0.00 66.70 62.55 1s6i h VAL 85 Cb 0.22 2.69 -0.00 0.00 -2.13 0.00 0.00 31.29 32.07 1s6i h VAL 85 CO 0.00 0.86 0.34 0.28 -1.23 0.00 0.00 177.57 177.82 1s6i h SER 86 N 0.06 0.00 0.08 4.19 0.02 -1.97 0.11 113.55 116.04 1s6i h SER 86 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1s6i h SER 86 Cb 1.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1s6i h SER 86 CO 0.15 0.00 -0.04 0.00 -1.14 0.00 0.00 176.83 175.80 1s6i h ALA 87 N 1.44 -0.11 -0.01 3.77 0.00 -1.70 -0.25 119.26 122.40 1s6i h ALA 87 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1s6i h ALA 87 Cb 0.74 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1s6i h ALA 87 CO -0.00 -0.14 0.51 0.74 0.00 0.00 0.00 179.25 180.37 1s6i h PHE 88 N -0.95 0.00 0.03 0.00 0.04 -0.87 1.60 116.94 116.78 1s6i h PHE 88 Ca -0.01 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.52 1s6i h PHE 88 Cb 0.50 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 1s6i h PHE 88 CO 0.11 0.00 -1.30 1.03 -0.60 0.00 0.00 178.31 177.56 1s6i h SER 89 N 0.00 0.09 0.00 2.17 0.87 -1.23 -3.27 113.55 112.18 1s6i h SER 89 Ca 0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1s6i h SER 89 Cb 1.03 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1s6i h SER 89 CO -0.00 1.52 -0.10 0.22 -0.53 0.00 0.00 176.83 177.95 1s6i h TYR 90 N -0.79 0.00 0.68 2.24 3.20 0.17 -3.32 116.97 119.15 1s6i h TYR 90 Ca -0.33 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.50 1s6i h TYR 90 Cb 1.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1s6i h TYR 90 CO 0.11 0.00 -0.37 0.74 -1.64 0.00 0.00 178.16 177.00 1s6i h PHE 91 N -0.62 -0.97 0.00 -3.82 -1.00 0.18 -2.80 116.94 107.92 1s6i h PHE 91 Ca 0.00 -0.02 -0.57 0.00 2.81 0.00 0.00 57.97 60.20 1s6i h PHE 91 Cb 0.10 0.33 0.02 0.00 3.61 0.00 0.00 35.95 40.01 1s6i h PHE 91 CO -0.04 -0.57 2.95 -3.47 -1.61 0.00 0.00 178.31 175.57 1s6i n ASP 92 N -4.73 5.19 -0.30 2.17 2.03 -0.60 -4.50 116.55 115.81 1s6i n ASP 92 Ca -0.12 -2.55 0.12 0.00 0.52 0.00 0.00 54.79 52.76 1s6i n ASP 92 Cb 0.39 -1.31 0.28 0.00 -0.72 0.00 0.00 41.12 39.76 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 6.27 0.36 0.00 -0.67 3.64 -1.59 0.61 116.57 125.19 1s6i h LYS 93 Ca 0.59 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.91 1s6i h LYS 93 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1s6i h LYS 93 CO 1.72 0.24 -0.19 -0.44 -2.27 0.00 0.00 179.45 178.51 1s6i h ASP 94 N 0.37 0.00 0.00 4.20 3.32 -1.86 -3.46 116.42 118.99 1s6i h ASP 94 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1s6i h ASP 94 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1s6i h ASP 94 CO -0.53 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 177.79 1s6i n GLY 95 N 0.47 0.68 0.21 2.75 0.00 0.21 -4.73 105.19 104.78 1s6i n GLY 95 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1s6i n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s6i h SER 96 N 0.00 0.00 0.00 1.61 4.64 -1.89 -3.43 113.55 114.48 1s6i h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s6i h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s6i h SER 96 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1s6i n GLY 97 N -1.28 1.00 3.63 -0.77 0.00 -1.26 -5.07 105.19 101.44 1s6i n GLY 97 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.48 2.58 -0.28 1.61 1.51 -1.26 0.34 117.35 121.36 1s6i s TYR 98 Ca 0.00 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1s6i s TYR 98 Cb 0.00 -1.40 0.09 0.00 -0.11 0.00 0.00 41.96 40.54 1s6i s TYR 98 CO 0.00 0.51 0.08 0.42 -1.11 0.00 0.00 175.55 175.45 1s6i s ILE 99 N -2.46 0.72 0.48 2.71 1.01 0.57 -4.66 121.20 119.58 1s6i s ILE 99 Ca 0.34 -1.14 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 1s6i s ILE 99 Cb -0.02 -1.46 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 1s6i s ILE 99 CO 0.20 -0.56 1.07 0.42 0.00 0.00 0.00 174.94 176.06 1s6i s THR 100 N 1.71 3.61 0.28 2.92 -4.23 -1.26 0.51 115.64 119.19 1s6i s THR 100 Ca 0.07 1.05 0.17 0.00 -1.18 0.00 0.00 61.69 61.79 1s6i s THR 100 Cb -0.17 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.50 1s6i s THR 100 CO -0.22 -0.18 1.18 0.00 -0.54 0.00 0.00 174.62 174.86 1s6i n LEU 101 N -0.89 0.25 0.27 4.79 -0.00 -0.61 0.13 117.00 120.94 1s6i n LEU 101 Ca 0.09 1.21 -0.17 0.00 -0.00 0.00 0.00 56.01 57.15 1s6i n LEU 101 Cb 0.52 -0.59 -0.09 0.00 -0.00 0.00 0.00 43.42 43.25 1s6i n LEU 101 CO 0.41 -1.35 0.52 0.44 -0.00 0.00 0.00 177.39 177.41 1s6i h ASP 102 N 0.00 -1.28 -0.53 1.45 5.19 -1.89 0.20 116.42 119.56 1s6i h ASP 102 Ca 0.64 0.10 0.10 0.00 -0.62 0.00 0.00 57.03 57.25 1s6i h ASP 102 Cb 1.75 0.42 -0.08 0.00 0.18 0.00 0.00 39.33 41.60 1s6i h ASP 102 CO -0.54 -0.61 0.05 -0.33 -3.12 0.00 0.00 179.24 174.69 1s6i h GLU 103 N -0.92 0.17 0.20 3.56 5.08 0.74 0.61 114.58 124.01 1s6i h GLU 103 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1s6i h GLU 103 Cb 0.80 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1s6i h GLU 103 CO -0.06 0.11 -0.21 0.82 -1.00 0.00 0.00 179.01 178.67 1s6i h ILE 104 N 0.17 0.00 0.43 3.13 2.04 -0.90 -1.68 117.51 120.71 1s6i h ILE 104 Ca 0.27 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.11 1s6i h ILE 104 Cb 0.41 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1s6i h ILE 104 CO -0.41 0.00 -0.21 1.56 0.00 0.00 0.00 178.15 179.10 1s6i h GLN 105 N -0.41 -0.56 -1.20 2.37 1.08 -0.41 -3.10 115.11 112.88 1s6i h GLN 105 Ca -0.02 0.04 0.41 0.00 -1.45 0.00 0.00 58.65 57.62 1s6i h GLN 105 Cb 0.36 0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 27.77 1s6i h GLN 105 CO -0.03 -0.37 0.74 1.96 -0.95 0.00 0.00 178.83 180.18 1s6i h GLN 106 N -0.63 0.11 -0.21 1.46 1.08 0.11 0.28 115.11 117.30 1s6i h GLN 106 Ca -0.06 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1s6i h GLN 106 Cb 0.45 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.78 1s6i h GLN 106 CO 0.10 0.07 -0.47 0.00 -0.95 0.00 0.00 178.83 177.59 1s6i h ALA 107 N 1.72 -0.65 -2.46 3.87 0.00 -1.22 -3.40 119.26 117.12 1s6i h ALA 107 Ca 0.81 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 55.15 1s6i h ALA 107 Cb 2.34 0.90 0.07 0.00 0.00 0.00 0.00 17.79 21.10 1s6i h ALA 107 CO -0.51 -0.97 0.82 0.00 0.00 0.00 0.00 179.25 178.59 1s6i h LYS 109 N 5.56 0.06 -0.01 0.00 1.79 -1.85 -3.38 116.57 118.74 1s6i h LYS 109 Ca -0.45 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 1s6i h LYS 109 Cb 1.24 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1s6i h LYS 109 CO 0.86 1.05 -0.02 -0.40 -1.08 0.00 0.00 179.45 179.86 1s6i n ASP 110 N -4.24 0.74 0.00 0.86 5.75 -1.26 -4.67 116.55 113.73 1s6i n ASP 110 Ca -0.32 -1.17 0.00 0.00 -0.01 0.00 0.00 54.79 53.29 1s6i n ASP 110 Cb 0.76 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1s6i n ASP 110 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1s6i n PHE 111 N -0.47 0.00 0.00 2.11 1.16 -1.26 -4.96 117.46 114.04 1s6i n PHE 111 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.78 1s6i n PHE 111 Cb 0.24 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.11 1s6i n PHE 111 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1s6i n GLY 112 N -0.55 1.00 1.95 4.97 0.00 -1.26 -5.02 105.19 106.28 1s6i n GLY 112 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1s6i n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s6i n LEU 113 N 0.00 -0.22 -3.98 0.99 4.77 -1.26 -4.95 117.00 112.35 1s6i n LEU 113 Ca 0.00 0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 56.53 1s6i n LEU 113 Cb 0.00 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1s6i n LEU 113 CO 0.00 -1.26 0.24 1.51 -1.33 0.00 0.00 177.39 176.55 1s6i s ASP 114 N -0.17 0.11 0.45 -1.43 -4.77 -1.26 -4.99 116.67 104.61 1s6i s ASP 114 Ca 0.47 -1.04 0.25 0.00 -3.30 0.00 0.00 52.55 48.93 1s6i s ASP 114 Cb -0.66 0.65 0.82 0.00 -1.09 0.00 0.00 42.92 42.64 1s6i s ASP 114 CO 0.32 -1.26 1.78 -0.78 0.70 0.00 0.00 175.17 175.93 1s6i h ASP 115 N 2.17 0.00 0.20 2.11 1.82 -1.95 0.25 116.42 121.02 1s6i h ASP 115 Ca -0.27 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.36 1s6i h ASP 115 Cb 1.25 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.26 1s6i h ASP 115 CO 0.36 0.15 -0.09 0.40 -1.61 0.00 0.00 179.24 178.44 1s6i h ILE 116 N 0.00 0.00 0.00 2.25 2.04 -1.97 -3.28 117.51 116.55 1s6i h ILE 116 Ca -0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1s6i h ILE 116 Cb 0.81 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1s6i h ILE 116 CO 0.02 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.58 1s6i n HIS 117 N -3.59 0.00 -0.14 1.37 8.25 -1.26 -3.97 115.22 115.89 1s6i n HIS 117 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1s6i n HIS 117 Cb 0.10 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1s6i n HIS 117 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1s6i h ILE 118 N 0.00 0.17 -0.07 1.59 5.03 -1.85 1.52 117.51 123.91 1s6i h ILE 118 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1s6i h ILE 118 Cb 0.00 0.17 -0.00 0.00 -3.03 0.00 0.00 36.82 33.96 1s6i h ILE 118 CO 0.00 0.00 0.04 0.44 -0.68 0.00 0.00 178.15 177.95 1s6i h ASP 119 N -0.27 0.08 0.75 1.72 5.19 -0.69 -0.92 116.42 122.27 1s6i h ASP 119 Ca 0.17 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1s6i h ASP 119 Cb 0.56 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1s6i h ASP 119 CO -0.58 0.09 0.00 -0.78 -3.12 0.00 0.00 179.24 174.85 1s6i h ASP 120 N 0.06 0.00 -0.38 6.45 1.82 -1.48 -2.38 116.42 120.51 1s6i h ASP 120 Ca 0.02 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.50 1s6i h ASP 120 Cb 0.02 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 1s6i h ASP 120 CO -0.00 0.00 -0.40 0.24 -1.61 0.00 0.00 179.24 177.47 1s6i h MET 121 N 0.00 0.94 -0.64 0.28 2.86 0.35 1.39 114.93 120.10 1s6i h MET 121 Ca 0.00 -0.50 0.13 0.00 -2.06 0.00 0.00 59.70 57.26 1s6i h MET 121 Cb 0.37 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.96 1s6i h MET 121 CO 0.00 1.16 0.13 0.82 1.06 0.00 0.00 176.91 180.08 1s6i h ILE 122 N 0.76 0.59 0.00 -1.22 2.04 -0.76 0.96 117.51 119.88 1s6i h ILE 122 Ca 0.06 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1s6i h ILE 122 Cb 0.99 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1s6i h ILE 122 CO 0.10 0.05 -0.50 0.29 0.00 0.00 0.00 178.15 178.08 1s6i n LYS 123 N -5.15 0.21 0.10 2.37 4.76 -1.07 -2.02 118.16 117.36 1s6i n LYS 123 Ca 0.10 0.08 0.12 0.00 -2.87 0.00 0.00 58.31 55.74 1s6i n LYS 123 Cb 0.37 -1.65 0.16 0.00 -1.84 0.00 0.00 35.03 32.07 1s6i n LYS 123 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1s6i h GLU 124 N 0.00 0.00 0.00 1.97 4.57 0.69 -3.37 114.58 118.44 1s6i h GLU 124 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1s6i h GLU 124 Cb 0.68 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1s6i h GLU 124 CO 0.00 0.00 -1.46 -0.89 -1.18 0.00 0.00 179.01 175.48 1s6i n ILE 125 N -2.45 0.46 -1.78 2.32 5.41 0.28 -4.97 119.36 118.63 1s6i n ILE 125 Ca 0.03 -0.25 -0.43 0.00 1.00 0.00 0.00 62.75 63.10 1s6i n ILE 125 Cb 0.48 -0.82 -0.03 0.00 -0.71 0.00 0.00 39.64 38.57 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 -4.10 5.84 0.00 4.38 2.15 -0.86 -4.86 116.67 119.22 1s6i s ASP 126 Ca -0.06 1.84 0.26 0.00 0.43 0.00 0.00 52.55 55.02 1s6i s ASP 126 Cb 0.02 -2.52 0.66 0.00 -0.30 0.00 0.00 42.92 40.79 1s6i s ASP 126 CO 0.25 -1.66 1.52 0.00 -0.17 0.00 0.00 175.17 175.11 1s6i n GLN 127 N 8.34 0.10 0.00 4.34 3.00 -1.26 -4.63 117.38 127.26 1s6i n GLN 127 Ca 0.25 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 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 -0.25 0.00 0.00 0.00 177.06 176.81 1s6i n ASP 128 N -1.41 2.08 0.00 1.08 8.00 -1.26 -4.85 116.55 120.19 1s6i n ASP 128 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1s6i n ASP 128 Cb 0.33 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1s6i n ASN 129 N -1.32 0.00 -0.39 -2.24 2.04 -1.26 -4.80 115.26 107.30 1s6i n ASN 129 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1s6i n ASN 129 Cb 0.22 0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.48 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 -1.12 0.15 -3.45 0.53 8.00 -1.26 -4.72 116.55 114.68 1s6i n ASP 130 Ca 0.00 -0.40 -0.25 0.00 0.71 0.00 0.00 54.79 54.85 1s6i n ASP 130 Cb 0.00 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6i n GLY 131 N 0.24 -0.51 3.34 0.44 0.00 -1.26 -4.45 105.19 103.00 1s6i n GLY 131 Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.14 1.38 -0.07 1.61 -2.07 -1.26 -1.57 119.66 111.54 1s6i s GLN 132 Ca 0.48 -1.72 0.04 0.00 -1.82 0.00 0.00 55.36 52.34 1s6i s GLN 132 Cb -0.23 -0.56 0.00 0.00 -1.09 0.00 0.00 33.01 31.13 1s6i s GLN 132 CO 0.59 -0.15 -0.20 0.42 -1.32 0.00 0.00 175.29 174.63 1s6i s ILE 133 N -3.48 1.69 0.25 3.63 -1.09 0.18 -4.12 121.20 118.26 1s6i s ILE 133 Ca 0.31 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 1s6i s ILE 133 Cb 0.06 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.45 1s6i s ILE 133 CO 0.10 0.48 0.34 -0.62 -1.23 0.00 0.00 174.94 174.01 1s6i s ASP 134 N 0.28 6.15 0.51 3.58 2.15 -1.26 0.21 116.67 128.29 1s6i s ASP 134 Ca -0.12 -0.01 0.33 0.00 0.43 0.00 0.00 52.55 53.18 1s6i s ASP 134 Cb -0.15 -1.74 1.46 0.00 -0.30 0.00 0.00 42.92 42.19 1s6i s ASP 134 CO 0.05 -0.09 1.79 0.22 -0.17 0.00 0.00 175.17 176.98 1s6i h TYR 135 N 1.21 0.15 0.07 -5.34 3.20 -0.49 1.02 116.97 116.78 1s6i h TYR 135 Ca -0.51 0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.08 1s6i h TYR 135 Cb 1.23 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 1s6i h TYR 135 CO 0.47 0.01 -1.52 0.78 -1.64 0.00 0.00 178.16 176.25 1s6i h GLY 136 N 0.08 0.16 0.80 1.82 0.00 -1.85 -3.23 103.07 100.85 1s6i h GLY 136 Ca 0.58 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1s6i h GLY 136 CO -0.08 0.36 -0.31 0.83 0.00 0.00 0.00 176.54 177.35 1s6i h GLU 137 N 0.04 -0.83 -0.91 4.80 5.08 0.54 -1.80 114.58 121.50 1s6i h GLU 137 Ca -0.23 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1s6i h GLU 137 Cb 1.97 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 31.34 1s6i h GLU 137 CO 0.13 -0.51 0.58 0.35 -1.00 0.00 0.00 179.01 178.56 1s6i h PHE 138 N -1.08 0.91 0.00 4.33 3.57 -0.41 0.37 116.94 124.64 1s6i h PHE 138 Ca -0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1s6i h PHE 138 Cb 0.70 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1s6i h PHE 138 CO -0.00 0.36 -0.04 0.00 -2.23 0.00 0.00 178.31 176.39 1s6i h ALA 139 N 1.58 1.02 0.00 2.41 0.00 -1.55 -3.13 119.26 119.59 1s6i h ALA 139 Ca 0.45 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.11 1s6i h ALA 139 Cb 0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1s6i h ALA 139 CO -0.21 0.05 -1.17 0.00 0.00 0.00 0.00 179.25 177.92 1s6i h ALA 140 N 1.96 0.24 0.00 0.00 0.00 0.53 -2.84 119.26 119.15 1s6i h ALA 140 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1s6i h ALA 140 Cb 0.49 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1s6i h ALA 140 CO 0.01 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.15 1s6i h MET 141 N -1.00 0.00 0.00 0.00 -0.00 -1.02 -0.76 114.93 112.15 1s6i h MET 141 Ca -0.32 0.00 -0.38 0.00 -0.00 0.00 0.00 59.70 59.00 1s6i h MET 141 Cb 1.26 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.79 1s6i h MET 141 CO -0.19 0.00 -2.40 -1.33 -0.00 0.00 0.00 176.91 172.99 1s6i n MET 142 N -2.93 0.67 0.00 -0.10 2.81 -1.19 -5.01 117.12 111.38 1s6i n MET 142 Ca -0.02 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1s6i n MET 142 Cb 0.29 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1s6i n MET 142 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1s6i n ARG 143 N -3.00 3.04 0.00 0.03 0.00 -0.29 -5.12 116.66 111.32 1s6i n ARG 143 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.47 1s6i n ARG 143 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.54 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 -2.59 -0.14 5.02 -1.25 -4.83 118.16 114.36 1s6i n LYS 144 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1s6i n LYS 144 Cb 0.00 -0.03 0.03 0.00 -0.02 0.00 0.00 35.03 35.00 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 -1.47 1.99 -1.63 1.97 1.74 -1.26 -4.80 116.66 113.21 1s6i n ARG 145 Ca 0.00 -3.67 -0.33 0.00 -0.77 0.00 0.00 57.85 53.08 1s6i n ARG 145 Cb 0.00 -1.63 0.06 0.00 -1.02 0.00 0.00 32.46 29.87 1s6i n ARG 145 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1s6i n LYS 146 N -0.30 2.94 0.14 5.56 4.76 -1.26 -4.79 118.16 125.21 1s6i n LYS 146 Ca 0.19 -3.58 -0.06 0.00 -2.87 0.00 0.00 58.31 51.98 1s6i n LYS 146 Cb 0.79 -2.28 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 1s6i n LYS 146 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1s6i h GLY 147 N 2.21 -0.58 -3.38 0.72 0.00 -1.84 -3.43 103.07 96.77 1s6i h GLY 147 Ca 0.53 0.24 -0.05 0.00 0.00 0.00 0.00 47.33 48.05 1s6i h GLY 147 CO 1.35 -0.20 0.04 0.21 0.00 0.00 0.00 176.54 177.93 1s6i s ASN 148 N -2.70 -0.40 0.51 0.19 2.47 -1.26 -4.17 114.94 109.57 1s6i s ASN 148 Ca -0.06 0.01 0.29 0.00 0.42 0.00 0.00 52.86 53.52 1s6i s ASN 148 Cb 0.01 0.50 1.40 0.00 -1.45 0.00 0.00 41.25 41.71 1s6i s ASN 148 CO 0.18 -0.80 1.87 1.23 -3.72 0.00 0.00 177.10 175.86 1s6i h GLY 149 N 2.54 0.24 0.00 1.21 0.00 -1.98 -2.94 103.07 102.13 1s6i h GLY 149 Ca -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1s6i h GLY 149 CO 0.42 -0.01 -0.40 0.61 0.00 0.00 0.00 176.54 177.16 1s6i n GLY 150 N -1.67 -0.60 3.62 4.60 0.00 -1.26 -5.10 105.19 104.78 1s6i n GLY 150 Ca 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1s6i n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s6i s ILE 151 N -1.82 0.00 0.00 -0.61 2.07 -1.11 -5.11 121.20 114.62 1s6i s ILE 151 Ca -0.12 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 1s6i s ILE 151 Cb 0.02 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.61 1s6i s ILE 151 CO 0.17 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 1s6i n GLY 152 N 0.54 1.07 3.51 1.50 0.00 -1.26 -4.25 105.19 106.29 1s6i n GLY 152 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1s6i n GLY 152 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s6i n ARG 153 N 0.00 0.39 -4.66 1.61 0.00 -1.26 -4.73 116.66 108.02 1s6i n ARG 153 Ca 0.00 0.01 -0.23 0.00 -0.00 0.00 0.00 57.85 57.63 1s6i n ARG 153 Cb 0.00 -2.21 -0.15 0.00 -0.00 0.00 0.00 32.46 30.10 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 8.62 1.29 0.41 2.89 6.06 -1.26 -4.97 118.95 131.98 1s6i s ARG 154 Ca 1.22 -0.50 0.08 0.00 -2.50 0.00 0.00 55.73 54.02 1s6i s ARG 154 Cb -0.87 -1.20 0.84 0.00 0.06 0.00 0.00 34.95 33.78 1s6i s ARG 154 CO 0.41 0.25 2.02 1.79 -2.50 0.00 0.00 175.30 177.28 1s6i h THR 155 N 5.03 1.12 -1.42 4.11 1.35 -1.88 -3.35 112.91 117.86 1s6i h THR 155 Ca -0.34 -0.33 -0.39 0.00 -0.55 0.00 0.00 66.41 64.80 1s6i h THR 155 Cb 1.17 0.69 -0.27 0.00 -1.73 0.00 0.00 68.15 68.00 1s6i h THR 155 CO 0.48 0.13 -0.77 0.80 -0.25 0.00 0.00 175.52 175.92 1s6i n MET 156 N -4.43 0.52 -0.55 4.72 0.00 -1.26 -4.88 117.12 111.24 1s6i n MET 156 Ca 0.02 -2.58 -0.07 0.00 -0.00 0.00 0.00 57.70 55.07 1s6i n MET 156 Cb 0.11 -1.47 0.03 0.00 0.00 0.00 0.00 33.22 31.89 1s6i n MET 156 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 1s6i n ARG 157 N 2.30 1.35 -3.51 2.12 1.85 -1.26 -4.81 116.66 114.71 1s6i n ARG 157 Ca 0.20 -0.73 -0.12 0.00 -1.00 0.00 0.00 57.85 56.21 1s6i n ARG 157 Cb 0.54 -1.29 -0.04 0.00 -1.05 0.00 0.00 32.46 30.63 1s6i n ARG 157 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1s6i s LYS 158 N -0.83 0.91 0.00 2.89 -2.85 -1.26 -5.05 119.74 113.55 1s6i s LYS 158 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 55.05 1s6i s LYS 158 Cb 0.11 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.31 1s6i s LYS 158 CO 0.01 -0.34 0.00 -2.37 0.10 0.00 0.00 175.35 172.75 1s6i n THR 159 N 0.30 0.00 -4.26 3.79 5.66 -1.26 -5.13 114.28 113.38 1s6i n THR 159 Ca -0.13 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.65 1s6i n THR 159 Cb 0.60 0.13 -0.12 0.00 -1.55 0.00 0.00 70.33 69.39 1s6i n THR 159 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1s6i s LEU 160 N 0.00 2.33 0.24 1.09 2.96 -1.26 -5.11 118.68 118.93 1s6i s LEU 160 Ca 0.00 -0.71 -0.31 0.00 -0.22 0.00 0.00 54.13 52.89 1s6i s LEU 160 Cb 0.00 -0.75 -0.11 0.00 0.50 0.00 0.00 46.19 45.83 1s6i s LEU 160 CO 0.00 -0.01 1.63 0.20 -1.32 0.00 0.00 176.35 176.84 1s6i s ASN 161 N -2.06 6.43 0.00 3.68 0.01 -1.26 -5.01 114.94 116.73 1s6i s ASN 161 Ca 0.06 2.85 0.00 0.00 -0.71 0.00 0.00 52.86 55.06 1s6i s ASN 161 Cb -0.09 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1s6i s ASN 161 CO 0.04 -0.91 0.00 0.18 -1.51 0.00 0.00 177.10 174.90 1s6i n LEU 162 N 3.15 0.00 -4.66 0.60 7.99 -1.26 -4.95 117.00 117.87 1s6i n LEU 162 Ca 0.12 0.00 -0.46 0.00 -0.01 0.00 0.00 56.01 55.66 1s6i n LEU 162 Cb 0.37 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.64 1s6i n LEU 162 CO 0.63 0.00 1.07 -1.14 -1.51 0.00 0.00 177.39 176.44 1s6i n ARG 163 N 0.00 1.96 -1.71 3.23 0.63 -1.26 -4.87 116.66 114.65 1s6i n ARG 163 Ca 0.00 0.70 -0.43 0.00 -0.92 0.00 0.00 57.85 57.20 1s6i n ARG 163 Cb 0.00 -2.40 -0.03 0.00 0.45 0.00 0.00 32.46 30.48 1s6i n ARG 163 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1s6i n ASP 164 N 2.75 3.69 -4.10 6.15 5.75 -1.26 -5.00 116.55 124.53 1s6i n ASP 164 Ca 0.15 1.09 -0.21 0.00 -0.01 0.00 0.00 54.79 55.81 1s6i n ASP 164 Cb 0.29 -1.54 -0.14 0.00 -1.03 0.00 0.00 41.12 38.70 1s6i n ASP 164 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s6i s ALA 165 N 0.82 1.07 -0.02 2.12 0.00 -1.26 -5.02 121.76 119.46 1s6i s ALA 165 Ca 0.73 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.08 1s6i s ALA 165 Cb -0.55 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1s6i s ALA 165 CO 0.38 0.24 0.92 1.47 0.00 0.00 0.00 175.76 178.77 1s6i n LEU 166 N 2.43 1.53 0.00 0.00 -0.00 -1.26 -5.05 117.00 114.64 1s6i n LEU 166 Ca -0.16 -1.72 0.00 0.00 -0.00 0.00 0.00 56.01 54.14 1s6i n LEU 166 Cb 0.55 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1s6i n LEU 166 CO 0.24 0.42 0.00 0.61 -0.00 0.00 0.00 177.39 178.66 1s6i n GLY 167 N -0.53 2.44 3.74 1.47 0.00 -1.26 -5.13 105.19 105.92 1s6i n GLY 167 Ca 0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 1.64 0.31 0.99 1.43 -1.26 -4.98 118.68 116.81 1s6i s LEU 168 Ca 0.00 0.59 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 1s6i s LEU 168 Cb 0.00 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.57 1s6i s LEU 168 CO 0.00 -3.34 1.38 0.54 0.23 0.00 0.00 176.35 175.16 1s6i s VAL 169 N -3.35 2.60 -0.45 -1.59 0.11 -1.26 -4.98 120.40 111.49 1s6i s VAL 169 Ca 0.70 0.57 -0.18 0.00 -2.93 0.00 0.00 61.98 60.14 1s6i s VAL 169 Cb -0.09 -3.36 0.03 0.00 -1.53 0.00 0.00 36.38 31.43 1s6i s VAL 169 CO 0.55 0.12 0.53 -0.62 -3.33 0.00 0.00 175.10 172.34 1s6i s ASP 170 N -0.13 6.23 -0.22 3.54 2.15 -1.26 -4.93 116.67 122.05 1s6i s ASP 170 Ca 0.53 -0.71 0.02 0.00 0.43 0.00 0.00 52.55 52.82 1s6i s ASP 170 Cb -0.41 -2.26 0.30 0.00 -0.30 0.00 0.00 42.92 40.24 1s6i s ASP 170 CO 0.51 -0.71 1.48 -0.46 -0.17 0.00 0.00 175.17 175.82 1s6i n ASN 171 N 5.87 3.66 0.00 -0.34 6.94 -1.26 -4.67 115.26 125.46 1s6i n ASN 171 Ca -0.06 -2.77 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 1s6i n ASN 171 Cb 0.47 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s6i n GLY 172 N -0.19 0.66 0.00 4.83 0.00 -1.26 -5.16 105.19 104.07 1s6i n GLY 172 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1s6i n GLY 172 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6i n SER 173 N 0.00 1.38 -4.79 1.61 7.64 -1.26 -5.13 113.62 113.06 1s6i n SER 173 Ca 0.00 -0.38 -0.36 0.00 1.01 0.00 0.00 58.87 59.14 1s6i n SER 173 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1s6i n SER 173 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1s6i s ASN 174 N 0.25 7.05 -0.54 6.43 2.20 -1.26 -5.00 114.94 124.07 1s6i s ASN 174 Ca 0.00 1.87 -0.26 0.00 -0.94 0.00 0.00 52.86 53.52 1s6i s ASN 174 Cb 0.00 -2.57 0.03 0.00 -2.00 0.00 0.00 41.25 36.71 1s6i s ASN 174 CO 0.00 -0.28 1.06 -1.10 -2.94 0.00 0.00 177.10 173.84 1s6i s GLN 175 N -2.47 3.46 0.13 3.55 1.11 -1.26 -5.02 119.66 119.16 1s6i s GLN 175 Ca 0.56 0.06 -0.24 0.00 0.01 0.00 0.00 55.36 55.75 1s6i s GLN 175 Cb -0.17 -4.01 -0.07 0.00 -1.01 0.00 0.00 33.01 27.74 1s6i s GLN 175 CO 0.22 -1.52 0.73 0.14 0.01 0.00 0.00 175.29 174.87 1s6i s VAL 176 N 4.37 4.50 -0.13 1.09 -7.23 -1.26 -5.06 120.40 116.67 1s6i s VAL 176 Ca 0.38 1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 62.11 1s6i s VAL 176 Cb -0.10 -4.08 -0.03 0.00 0.56 0.00 0.00 36.38 32.73 1s6i s VAL 176 CO 0.24 0.50 -0.02 -0.51 -0.31 0.00 0.00 175.10 175.00 1s6i s ILE 177 N -0.96 4.06 -0.12 -0.62 2.07 -1.26 -5.10 121.20 119.27 1s6i s ILE 177 Ca 0.35 -0.32 -0.05 0.00 -1.41 0.00 0.00 60.65 59.22 1s6i s ILE 177 Cb -0.22 -2.75 0.05 0.00 0.13 0.00 0.00 42.46 39.67 1s6i s ILE 177 CO 0.24 0.53 0.26 -0.70 -1.91 0.00 0.00 174.94 173.36 1s6i s GLU 178 N -0.09 0.20 0.12 3.50 2.56 -1.26 -5.16 118.70 118.57 1s6i s GLU 178 Ca 0.03 0.61 -0.22 0.00 0.00 0.00 0.00 54.97 55.39 1s6i s GLU 178 Cb -0.13 -0.09 0.06 0.00 2.00 0.00 0.00 34.13 35.97 1s6i s GLU 178 CO 0.02 -0.20 0.56 0.20 -0.56 0.00 0.00 175.26 175.28 1s6i s GLY 179 N 1.61 -0.53 -0.01 -1.50 0.00 -1.26 -5.04 107.32 100.59 1s6i s GLY 179 Ca -0.06 0.49 0.20 0.00 0.00 0.00 0.00 44.72 45.34 1s6i s GLY 179 CO -0.09 0.17 0.72 2.98 0.00 0.00 0.00 173.10 176.88 1s6i n TYR 180 N -0.11 0.00 0.30 1.90 9.36 -1.26 -4.28 117.16 123.06 1s6i n TYR 180 Ca -0.17 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.20 1s6i n TYR 180 Cb 0.63 -0.15 0.91 0.00 -0.63 0.00 0.00 39.34 40.11 1s6i n TYR 180 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1s6i h PHE 181 N 0.00 0.00 0.00 2.98 -1.00 -2.07 -3.59 116.94 113.26 1s6i h PHE 181 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1s6i h PHE 181 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 1s6i h PHE 181 CO 0.00 0.01 0.00 1.63 -1.61 0.00 0.00 178.31 178.34