#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 1.96 0.00 0.00 1.02 -1.26 -4.82 120.64 117.54 1s6i n GLU 2 Ca 0.00 -3.64 0.14 0.00 -0.02 0.00 0.00 57.16 53.64 1s6i n GLU 2 Cb 0.00 -1.63 0.50 0.00 -0.02 0.00 0.00 31.44 30.29 1s6i n GLU 2 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s6i n ARG 3 N -0.35 1.70 -0.02 3.49 1.74 -1.26 -4.02 116.66 117.95 1s6i n ARG 3 Ca 0.17 -1.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.11 1s6i n ARG 3 Cb 0.80 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.77 1s6i n ARG 3 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1s6i h LEU 4 N 2.49 0.75 -8.97 0.55 5.85 -2.12 -3.46 115.31 110.40 1s6i h LEU 4 Ca 0.00 -0.42 -0.38 0.00 0.84 0.00 0.00 57.88 57.92 1s6i h LEU 4 Cb 0.53 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.20 1s6i h LEU 4 CO 0.00 1.17 -0.62 -0.94 -0.34 0.00 0.00 178.44 177.71 1s6i s SER 5 N -6.96 1.55 0.00 1.25 1.04 -1.26 -5.17 113.70 104.15 1s6i s SER 5 Ca -0.08 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1s6i s SER 5 Cb 0.11 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1s6i s SER 5 CO 0.86 -0.68 0.00 -0.62 0.98 0.00 0.00 173.24 173.79 1s6i n GLU 6 N -0.51 0.67 0.07 4.02 1.02 -1.26 -4.99 120.64 119.66 1s6i n GLU 6 Ca -0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.25 1s6i n GLU 6 Cb 0.66 0.00 0.47 0.00 -0.02 0.00 0.00 31.44 32.55 1s6i n GLU 6 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1s6i n GLU 7 N 0.00 0.15 -0.11 3.49 1.02 -1.26 -3.44 120.64 120.49 1s6i n GLU 7 Ca 0.00 0.19 0.10 0.00 -0.02 0.00 0.00 57.16 57.43 1s6i n GLU 7 Cb 0.00 -1.69 0.46 0.00 -0.02 0.00 0.00 31.44 30.18 1s6i n GLU 7 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1s6i h GLU 8 N 0.00 0.49 0.00 3.49 4.57 -2.00 0.19 114.58 121.32 1s6i h GLU 8 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1s6i h GLU 8 Cb 0.56 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1s6i h GLU 8 CO 0.00 0.33 -0.10 0.82 -1.18 0.00 0.00 179.01 178.87 1s6i h ILE 9 N 0.51 0.45 -2.14 2.32 1.08 -1.99 -3.41 117.51 114.33 1s6i h ILE 9 Ca 0.28 -0.53 -0.49 0.00 -0.39 0.00 0.00 64.86 63.73 1s6i h ILE 9 Cb 0.44 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.52 1s6i h ILE 9 CO -0.09 0.10 -0.50 -0.83 -0.69 0.00 0.00 178.15 176.15 1s6i s GLY 10 N -4.20 1.42 -1.82 5.37 0.00 0.05 -4.48 107.32 103.67 1s6i s GLY 10 Ca -0.02 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1s6i s GLY 10 CO 0.57 -1.44 0.00 0.61 0.00 0.00 0.00 173.10 172.84 1s6i n GLY 11 N -1.25 0.52 0.10 0.20 0.00 -1.26 -4.89 105.19 98.60 1s6i n GLY 11 Ca -0.07 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1s6i n GLY 11 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s6i h LEU 12 N 0.00 0.00 -1.11 0.99 7.12 -1.80 -1.81 115.31 118.71 1s6i h LEU 12 Ca -0.43 -0.58 0.18 0.00 0.13 0.00 0.00 57.88 57.17 1s6i h LEU 12 Cb 1.31 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.34 1s6i h LEU 12 CO 0.56 1.35 0.61 0.07 -0.13 0.00 0.00 178.44 180.91 1s6i h LYS 13 N -1.00 0.71 -0.01 1.25 -0.00 -1.91 0.45 116.57 116.06 1s6i h LYS 13 Ca -0.26 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.65 60.34 1s6i h LYS 13 Cb 1.20 -0.16 -0.00 0.00 -0.00 0.00 0.00 32.23 33.27 1s6i h LYS 13 CO -0.16 0.47 -0.01 1.49 -0.00 0.00 0.00 179.45 181.24 1s6i h GLU 14 N 0.74 0.03 -1.14 0.07 4.81 -1.97 -2.99 114.58 114.12 1s6i h GLU 14 Ca 0.54 -0.02 0.32 0.00 -0.13 0.00 0.00 59.36 60.08 1s6i h GLU 14 Cb 0.88 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 1s6i h GLU 14 CO -0.32 0.56 0.78 1.25 -0.73 0.00 0.00 179.01 180.56 1s6i h LEU 15 N -0.51 0.20 0.03 1.64 5.85 0.24 0.57 115.31 123.34 1s6i h LEU 15 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1s6i h LEU 15 Cb 0.56 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1s6i h LEU 15 CO 0.00 0.02 -0.02 0.15 -0.34 0.00 0.00 178.44 178.26 1s6i h PHE 16 N 0.17 -0.04 0.00 1.25 3.57 -0.12 -0.69 116.94 121.08 1s6i h PHE 16 Ca 0.60 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.10 1s6i h PHE 16 Cb 1.98 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.73 1s6i h PHE 16 CO -0.00 -0.02 0.00 1.57 -2.23 0.00 0.00 178.31 177.62 1s6i h LYS 17 N -0.05 0.00 0.00 1.11 2.10 -0.82 -2.72 116.57 116.19 1s6i h LYS 17 Ca -0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1s6i h LYS 17 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1s6i h LYS 17 CO 0.01 0.00 -0.41 0.52 -2.00 0.00 0.00 179.45 177.56 1s6i h MET 18 N 0.00 0.00 0.49 0.07 2.86 0.82 -3.21 114.93 115.97 1s6i h MET 18 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1s6i h MET 18 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1s6i h MET 18 CO 0.00 0.41 -0.24 0.82 1.06 0.00 0.00 176.91 178.97 1s6i h ILE 19 N 0.00 0.12 -0.07 -1.22 2.04 -0.82 -3.29 117.51 114.28 1s6i h ILE 19 Ca -0.00 -0.52 -0.13 0.00 1.00 0.00 0.00 64.86 65.20 1s6i h ILE 19 Cb 0.79 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1s6i h ILE 19 CO 0.05 0.03 -0.17 -0.90 0.00 0.00 0.00 178.15 177.16 1s6i n ASP 20 N -5.22 5.39 0.00 1.72 5.68 -1.21 -4.13 116.55 118.77 1s6i n ASP 20 Ca -0.09 -2.51 0.04 0.00 -0.50 0.00 0.00 54.79 51.74 1s6i n ASP 20 Cb 0.28 -1.28 0.22 0.00 -1.14 0.00 0.00 41.12 39.20 1s6i n ASP 20 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1s6i n THR 21 N 1.95 0.91 -0.19 2.12 5.66 -1.22 -2.56 114.28 120.95 1s6i n THR 21 Ca 0.26 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 1s6i n THR 21 Cb 0.72 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 1s6i n THR 21 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1s6i n ASP 22 N -1.33 0.09 0.00 1.09 5.68 -1.26 -5.01 116.55 115.82 1s6i n ASP 22 Ca 0.04 -0.40 0.00 0.00 -0.50 0.00 0.00 54.79 53.93 1s6i n ASP 22 Cb 0.08 0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.23 0.00 -0.03 -1.12 2.85 -1.06 -5.05 115.26 110.62 1s6i n ASN 23 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1s6i n ASN 23 Cb 0.05 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1s6i n SER 24 N 0.00 0.00 0.00 1.20 3.41 -1.25 -4.97 113.62 112.01 1s6i n SER 24 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 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 1.45 3.36 5.00 0.00 -1.26 -5.12 105.19 108.62 1s6i n GLY 25 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 1.88 -0.32 2.61 -4.23 -1.26 -4.60 115.64 107.72 1s6i s THR 26 Ca 0.00 -2.18 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 1s6i s THR 26 Cb 0.00 -2.04 0.09 0.00 1.34 0.00 0.00 72.50 71.89 1s6i s THR 26 CO 0.00 -0.50 0.04 -0.63 -0.54 0.00 0.00 174.62 172.98 1s6i s ILE 27 N -2.70 1.90 0.19 2.99 1.01 0.66 -4.29 121.20 120.96 1s6i s ILE 27 Ca 0.22 -1.99 0.05 0.00 0.00 0.00 0.00 60.65 58.93 1s6i s ILE 27 Cb -0.02 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1s6i s ILE 27 CO 0.08 -0.53 0.23 0.42 0.00 0.00 0.00 174.94 175.14 1s6i s THR 28 N 1.11 4.83 0.27 2.92 -4.23 -1.25 0.19 115.64 119.48 1s6i s THR 28 Ca 0.08 -1.03 0.17 0.00 -1.18 0.00 0.00 61.69 59.73 1s6i s THR 28 Cb -0.19 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.41 1s6i s THR 28 CO -0.11 -0.19 1.08 0.33 -0.54 0.00 0.00 174.62 175.18 1s6i n PHE 29 N -0.76 0.68 -0.06 3.99 7.35 -1.08 0.18 117.46 127.77 1s6i n PHE 29 Ca -0.08 0.68 -0.14 0.00 -0.76 0.00 0.00 57.45 57.15 1s6i n PHE 29 Cb 0.56 -1.10 -0.07 0.00 0.35 0.00 0.00 39.48 39.22 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 0.60 1.19 -2.13 1.82 -1.93 -3.23 116.42 112.75 1s6i h ASP 30 Ca 0.59 -0.54 -0.16 0.00 -0.39 0.00 0.00 57.03 56.53 1s6i h ASP 30 Cb 1.70 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.51 1s6i h ASP 30 CO -0.45 1.03 -0.75 -0.33 -1.61 0.00 0.00 179.24 177.13 1s6i h GLU 31 N 0.20 0.00 -0.18 0.28 3.07 0.17 -2.33 114.58 115.78 1s6i h GLU 31 Ca 0.01 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1s6i h GLU 31 Cb 0.92 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.76 1s6i h GLU 31 CO 0.07 0.75 -0.33 1.25 -1.40 0.00 0.00 179.01 179.36 1s6i h LEU 32 N 0.00 -1.04 0.04 1.33 7.12 0.72 -1.43 115.31 122.05 1s6i h LEU 32 Ca -0.01 0.16 -0.28 0.00 0.13 0.00 0.00 57.88 57.88 1s6i h LEU 32 Cb 1.55 0.45 0.02 0.00 -0.53 0.00 0.00 40.66 42.15 1s6i h LEU 32 CO 0.10 -0.36 -1.14 0.07 -0.13 0.00 0.00 178.44 176.98 1s6i h LYS 33 N -0.37 0.60 -0.99 1.25 2.10 -1.66 -3.28 116.57 114.21 1s6i h LYS 33 Ca 0.11 -0.73 0.36 0.00 -2.00 0.00 0.00 60.65 58.39 1s6i h LYS 33 Cb 0.55 0.23 -0.17 0.00 -0.90 0.00 0.00 32.23 31.94 1s6i h LYS 33 CO -0.39 1.32 0.46 0.22 -2.00 0.00 0.00 179.45 179.05 1s6i h ASP 34 N 0.30 0.25 -0.93 7.07 3.58 -0.83 0.32 116.42 126.18 1s6i h ASP 34 Ca -0.15 0.24 0.05 0.00 0.42 0.00 0.00 57.03 57.59 1s6i h ASP 34 Cb 1.80 0.26 -0.06 0.00 1.72 0.00 0.00 39.33 43.06 1s6i h ASP 34 CO 0.22 -0.33 0.61 1.23 -2.88 0.00 0.00 179.24 178.08 1s6i h GLY 35 N 0.10 1.35 0.33 -0.78 0.00 -1.34 -0.79 103.07 101.95 1s6i h GLY 35 Ca 0.76 -0.45 -0.29 0.00 0.00 0.00 0.00 47.33 47.36 1s6i h GLY 35 CO -0.74 0.36 -1.56 1.41 0.00 0.00 0.00 176.54 176.01 1s6i h LEU 36 N 1.12 0.23 -2.70 3.11 4.07 -0.65 -3.10 115.31 117.38 1s6i h LEU 36 Ca 0.38 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1s6i h LEU 36 Cb 0.09 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1s6i h LEU 36 CO -0.13 1.65 0.05 0.07 -1.08 0.00 0.00 178.44 179.00 1s6i h LYS 37 N -0.47 0.00 0.22 1.13 2.10 -1.00 0.85 116.57 119.40 1s6i h LYS 37 Ca -0.37 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.97 1s6i h LYS 37 Cb 1.66 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 33.03 1s6i h LYS 37 CO -0.05 0.00 -1.36 -0.09 -2.00 0.00 0.00 179.45 175.95 1s6i h ARG 38 N 0.00 0.53 0.00 0.07 2.43 -1.25 -3.28 114.38 112.89 1s6i h ARG 38 Ca 0.01 -0.87 0.00 0.00 -0.81 0.00 0.00 59.98 58.31 1s6i h ARG 38 Cb 0.10 0.32 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1s6i h ARG 38 CO -0.00 1.41 0.00 1.55 -1.51 0.00 0.00 179.97 181.42 1s6i n VAL 39 N -3.78 0.42 0.00 0.20 3.14 -0.03 -4.93 118.33 113.35 1s6i n VAL 39 Ca -0.16 -0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 1s6i n VAL 39 Cb 1.05 -0.61 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 1s6i n VAL 39 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s6i n GLY 40 N 1.24 3.91 3.41 7.55 0.00 0.09 -5.09 105.19 116.30 1s6i n GLY 40 Ca 0.06 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.99 -3.71 1.61 7.64 -0.75 -4.81 113.62 111.61 1s6i n SER 41 Ca 0.00 0.24 -0.29 0.00 1.01 0.00 0.00 58.87 59.84 1s6i n SER 41 Cb 0.00 -1.18 -0.16 0.00 -1.01 0.00 0.00 64.21 61.86 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 -3.68 0.63 0.35 1.43 2.02 -1.26 -3.00 118.70 115.19 1s6i s GLU 42 Ca 0.57 -0.68 0.08 0.00 0.02 0.00 0.00 54.97 54.96 1s6i s GLU 42 Cb -0.20 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 1s6i s GLU 42 CO 0.67 -0.82 0.25 -0.51 0.02 0.00 0.00 175.26 174.87 1s6i s LEU 43 N 1.80 3.43 0.35 1.80 1.43 -1.26 -5.07 118.68 121.16 1s6i s LEU 43 Ca 0.04 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1s6i s LEU 43 Cb -0.17 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1s6i s LEU 43 CO -0.18 -0.40 0.22 -0.04 0.23 0.00 0.00 176.35 176.18 1s6i s MET 44 N -3.97 2.52 0.08 1.70 -1.94 -1.26 -5.01 119.30 111.42 1s6i s MET 44 Ca 0.41 -1.46 -0.36 0.00 -1.71 0.00 0.00 55.69 52.57 1s6i s MET 44 Cb -0.04 -2.30 -0.17 0.00 2.01 0.00 0.00 34.83 34.33 1s6i s MET 44 CO 0.25 0.07 1.57 0.93 -0.01 0.00 0.00 175.02 177.83 1s6i h GLU 45 N 1.38 -1.00 0.00 2.03 3.07 -1.99 -1.32 114.58 116.75 1s6i h GLU 45 Ca -0.44 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 1s6i h GLU 45 Cb 1.25 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 1s6i h GLU 45 CO 0.61 -0.67 0.22 0.77 -1.40 0.00 0.00 179.01 178.54 1s6i h SER 46 N -1.04 0.00 0.04 1.42 0.02 -1.99 0.89 113.55 112.89 1s6i h SER 46 Ca -0.07 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1s6i h SER 46 Cb 0.89 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.44 1s6i h SER 46 CO -0.04 0.00 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.09 1s6i h GLU 47 N 0.00 0.09 0.01 3.45 4.39 -1.69 -3.18 114.58 117.64 1s6i h GLU 47 Ca 0.00 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.57 1s6i h GLU 47 Cb 0.43 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1s6i h GLU 47 CO 0.00 1.06 -0.13 0.82 -1.16 0.00 0.00 179.01 179.60 1s6i h ILE 48 N -0.80 0.68 -1.21 3.13 1.08 0.16 -1.10 117.51 119.45 1s6i h ILE 48 Ca -0.04 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 64.78 1s6i h ILE 48 Cb 1.17 0.68 -0.08 0.00 -3.07 0.00 0.00 36.82 35.52 1s6i h ILE 48 CO 0.04 0.00 0.83 0.50 -0.69 0.00 0.00 178.15 178.83 1s6i h LYS 49 N -0.23 0.15 -0.46 2.37 3.64 -1.27 0.13 116.57 120.89 1s6i h LYS 49 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1s6i h LYS 49 Cb 0.28 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1s6i h LYS 49 CO -0.12 0.10 0.30 0.22 -2.27 0.00 0.00 179.45 177.67 1s6i h ASP 50 N 0.15 0.54 0.52 4.20 3.58 -1.17 -1.73 116.42 122.51 1s6i h ASP 50 Ca 0.64 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.06 1s6i h ASP 50 Cb 2.15 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 43.06 1s6i h ASP 50 CO -0.17 0.41 0.00 0.18 -2.88 0.00 0.00 179.24 176.78 1s6i n LEU 51 N -4.75 0.65 -0.03 2.28 4.77 0.45 -0.96 117.00 119.41 1s6i n LEU 51 Ca 0.02 0.70 -0.01 0.00 -0.03 0.00 0.00 56.01 56.68 1s6i n LEU 51 Cb 0.03 -0.65 -0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1s6i n LEU 51 CO 0.35 -0.68 -0.11 0.24 -1.33 0.00 0.00 177.39 175.86 1s6i h MET 52 N 0.00 0.00 -0.19 3.23 2.86 -1.26 0.33 114.93 119.89 1s6i h MET 52 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1s6i h MET 52 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1s6i h MET 52 CO 0.00 0.00 -0.59 0.22 1.06 0.00 0.00 176.91 177.60 1s6i h ASP 53 N -0.44 0.70 0.59 1.22 3.58 -1.51 0.11 116.42 120.67 1s6i h ASP 53 Ca 0.00 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1s6i h ASP 53 Cb 0.17 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1s6i h ASP 53 CO 0.00 1.13 -0.77 0.00 -2.88 0.00 0.00 179.24 176.72 1s6i n ALA 54 N -2.54 3.29 0.00 -0.78 0.00 -0.14 -4.65 120.51 115.70 1s6i n ALA 54 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1s6i n ALA 54 Cb 0.63 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.75 2.36 -1.68 0.00 0.00 -1.15 -4.64 120.51 113.65 1s6i n ALA 55 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 1s6i n ALA 55 Cb 0.41 0.32 -0.03 0.00 0.00 0.00 0.00 19.45 20.16 1s6i n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6i s ASP 56 N -4.13 4.95 0.58 0.00 2.15 0.11 -4.27 116.67 116.07 1s6i s ASP 56 Ca 0.00 1.21 0.37 0.00 0.43 0.00 0.00 52.55 54.56 1s6i s ASP 56 Cb 0.00 -2.51 1.39 0.00 -0.30 0.00 0.00 42.92 41.50 1s6i s ASP 56 CO 0.00 -2.46 1.57 0.40 -0.17 0.00 0.00 175.17 174.51 1s6i h ILE 57 N 7.36 0.13 -0.83 4.11 1.08 -1.81 -0.08 117.51 127.48 1s6i h ILE 57 Ca -0.30 0.00 -0.38 0.00 -0.39 0.00 0.00 64.86 63.79 1s6i h ILE 57 Cb 1.24 0.17 -0.41 0.00 -3.07 0.00 0.00 36.82 34.75 1s6i h ILE 57 CO 1.10 0.00 -1.04 0.47 -0.69 0.00 0.00 178.15 178.00 1s6i n ASP 58 N -3.72 2.57 -2.70 1.72 8.00 -1.26 -5.07 116.55 116.09 1s6i n ASP 58 Ca 0.29 -2.79 -0.22 0.00 0.71 0.00 0.00 54.79 52.78 1s6i n ASP 58 Cb 1.52 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.43 0.00 -0.01 -1.24 0.00 -0.04 -4.66 118.16 111.78 1s6i n LYS 59 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.50 1s6i n LYS 59 Cb 0.81 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 35.01 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 5.67 1.33 0.00 3.14 3.41 -1.26 -4.97 113.62 120.94 1s6i n SER 60 Ca 0.40 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1s6i n SER 60 Cb 0.03 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.36 1.86 2.98 5.00 0.00 -1.26 -5.05 105.19 108.36 1s6i n GLY 61 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.43 0.09 -0.04 2.61 -1.32 -1.23 -2.62 115.64 110.70 1s6i s THR 62 Ca 0.00 -0.78 0.01 0.00 -1.21 0.00 0.00 61.69 59.71 1s6i s THR 62 Cb 0.00 -0.25 -0.03 0.00 -1.51 0.00 0.00 72.50 70.71 1s6i s THR 62 CO 0.00 -0.43 -0.03 -0.63 -2.21 0.00 0.00 174.62 171.32 1s6i s ILE 63 N -1.28 3.98 0.36 5.08 1.01 0.51 -4.74 121.20 126.12 1s6i s ILE 63 Ca -0.14 -0.53 0.07 0.00 0.00 0.00 0.00 60.65 60.06 1s6i s ILE 63 Cb -0.09 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1s6i s ILE 63 CO -0.01 0.48 0.34 -1.81 0.00 0.00 0.00 174.94 173.95 1s6i s ASP 64 N -1.20 5.28 0.28 3.58 1.01 -1.26 -0.25 116.67 124.12 1s6i s ASP 64 Ca 0.16 -0.55 -0.05 0.00 0.71 0.00 0.00 52.55 52.82 1s6i s ASP 64 Cb -0.11 -0.85 0.54 0.00 1.01 0.00 0.00 42.92 43.50 1s6i s ASP 64 CO 0.06 -0.47 1.57 0.22 0.21 0.00 0.00 175.17 176.76 1s6i h TYR 65 N 1.13 -0.37 0.59 4.23 3.20 -1.96 0.33 116.97 124.12 1s6i h TYR 65 Ca -0.44 0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.49 1s6i h TYR 65 Cb 1.26 0.32 0.01 0.00 1.54 0.00 0.00 36.73 39.85 1s6i h TYR 65 CO 0.51 -0.42 -0.28 0.78 -1.64 0.00 0.00 178.16 177.11 1s6i h GLY 66 N 0.00 -0.83 -0.82 1.82 0.00 -1.99 -2.74 103.07 98.51 1s6i h GLY 66 Ca 0.51 0.31 0.40 0.00 0.00 0.00 0.00 47.33 48.54 1s6i h GLY 66 CO -0.97 -0.30 0.96 0.83 0.00 0.00 0.00 176.54 177.05 1s6i h GLU 67 N -1.16 0.07 0.36 4.80 5.08 -1.71 0.29 114.58 122.29 1s6i h GLU 67 Ca -0.08 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1s6i h GLU 67 Cb 0.64 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1s6i h GLU 67 CO 0.13 0.05 -0.17 0.35 -1.00 0.00 0.00 179.01 178.37 1s6i h PHE 68 N 0.07 -0.44 0.35 4.33 3.57 -0.86 -1.71 116.94 122.25 1s6i h PHE 68 Ca 0.70 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 62.17 1s6i h PHE 68 Cb 2.55 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 41.43 1s6i h PHE 68 CO -0.00 -0.12 -0.25 0.82 -2.23 0.00 0.00 178.31 176.53 1s6i h ILE 69 N -0.78 0.00 -0.80 1.41 2.04 -0.19 -2.93 117.51 116.26 1s6i h ILE 69 Ca -0.05 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.99 1s6i h ILE 69 Cb 0.52 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.45 1s6i h ILE 69 CO 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.17 1s6i h ALA 70 N -1.48 0.74 -0.99 1.87 0.00 -1.30 0.53 119.26 118.63 1s6i h ALA 70 Ca -0.05 0.28 0.34 0.00 0.00 0.00 0.00 54.91 55.49 1s6i h ALA 70 Cb 0.47 0.51 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 1s6i h ALA 70 CO 0.03 -0.44 0.34 0.00 0.00 0.00 0.00 179.25 179.19 1s6i h ALA 71 N 1.77 1.74 -0.12 0.00 0.00 -1.12 2.08 119.26 123.61 1s6i h ALA 71 Ca 0.43 0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.50 1s6i h ALA 71 Cb 0.74 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1s6i h ALA 71 CO -0.75 -0.75 -0.45 1.79 0.00 0.00 0.00 179.25 179.09 1s6i h THR 72 N 0.05 1.33 0.00 0.00 1.35 -0.85 0.03 112.91 114.82 1s6i h THR 72 Ca 0.73 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1s6i h THR 72 Cb 1.75 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1s6i h THR 72 CO -0.80 0.49 -1.14 0.52 -0.25 0.00 0.00 175.52 174.35 1s6i n VAL 73 N -3.99 0.11 -0.07 6.82 0.31 0.17 -4.07 118.33 117.61 1s6i n VAL 73 Ca -0.02 -0.22 -0.17 0.00 -0.01 0.00 0.00 64.34 63.92 1s6i n VAL 73 Cb 0.52 0.33 -0.13 0.00 -0.91 0.00 0.00 33.84 33.65 1s6i n VAL 73 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1s6i h HIS 74 N 0.00 0.04 0.00 3.52 6.17 0.32 -3.19 115.15 122.01 1s6i h HIS 74 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1s6i h HIS 74 Cb 0.71 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.64 1s6i h HIS 74 CO 0.00 1.20 0.07 1.47 0.71 0.00 0.00 177.93 181.38 1s6i n LEU 75 N -4.50 0.48 -3.89 0.26 -0.00 -0.02 -2.72 117.00 106.61 1s6i n LEU 75 Ca -0.18 0.70 -0.35 0.00 -0.00 0.00 0.00 56.01 56.18 1s6i n LEU 75 Cb 0.58 -0.74 -0.05 0.00 -0.00 0.00 0.00 43.42 43.21 1s6i n LEU 75 CO 0.30 -0.86 0.45 -3.20 -0.00 0.00 0.00 177.39 174.08 1s6i n ASN 76 N -2.16 4.58 0.00 1.45 2.85 -1.21 -4.24 115.26 116.53 1s6i n ASN 76 Ca -0.01 -3.29 0.00 0.00 -0.11 0.00 0.00 54.58 51.17 1s6i n ASN 76 Cb 0.10 -0.99 0.00 0.00 1.24 0.00 0.00 39.78 40.13 1s6i n ASN 76 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1s6i n LYS 77 N 1.66 0.00 -2.71 1.20 5.02 -1.10 -4.88 118.16 117.34 1s6i n LYS 77 Ca 0.25 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.48 1s6i n LYS 77 Cb 0.37 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.45 1s6i n LYS 77 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1s6i n LEU 78 N 0.00 -2.06 -4.55 -0.35 -0.00 -1.26 -4.96 117.00 103.82 1s6i n LEU 78 Ca 0.00 -2.64 -0.33 0.00 -0.00 0.00 0.00 56.01 53.04 1s6i n LEU 78 Cb 0.00 0.76 -0.04 0.00 -0.00 0.00 0.00 43.42 44.15 1s6i n LEU 78 CO 0.00 1.81 1.76 -0.70 -0.00 0.00 0.00 177.39 180.26 1s6i s GLU 79 N 0.36 2.22 -0.03 1.96 2.56 -1.26 -4.94 118.70 119.56 1s6i s GLU 79 Ca 0.27 0.94 -0.03 0.00 0.00 0.00 0.00 54.97 56.16 1s6i s GLU 79 Cb 0.24 -4.59 -0.04 0.00 2.00 0.00 0.00 34.13 31.74 1s6i s GLU 79 CO -0.16 -3.28 0.14 0.50 -0.56 0.00 0.00 175.26 171.91 1s6i s ARG 80 N 7.91 3.32 0.49 4.30 3.52 -1.26 -4.98 118.95 132.24 1s6i s ARG 80 Ca 0.86 -0.34 -0.04 0.00 -0.13 0.00 0.00 55.73 56.08 1s6i s ARG 80 Cb -0.14 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 1s6i s ARG 80 CO 0.20 0.68 0.77 -1.21 -0.81 0.00 0.00 175.30 174.94 1s6i s GLU 81 N -1.72 3.35 0.00 5.12 0.41 -1.26 -5.08 118.70 119.52 1s6i s GLU 81 Ca 0.24 0.02 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 1s6i s GLU 81 Cb -0.12 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 1s6i s GLU 81 CO 0.15 -0.28 0.00 0.39 -0.49 0.00 0.00 175.26 175.03 1s6i n GLU 82 N -2.25 0.00 -0.16 1.61 1.02 -1.26 -5.06 120.64 114.54 1s6i n GLU 82 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1s6i n GLU 82 Cb 0.56 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1s6i n GLU 82 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1s6i n ASN 83 N -0.75 0.00 -0.03 1.62 0.23 -1.26 -5.04 115.26 110.04 1s6i n ASN 83 Ca 0.00 -0.64 -0.22 0.00 -0.53 0.00 0.00 54.58 53.19 1s6i n ASN 83 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 1s6i n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s6i n LEU 84 N 0.00 2.43 -0.03 -4.53 -0.00 -1.26 -4.19 117.00 109.41 1s6i n LEU 84 Ca 0.00 0.27 0.19 0.00 -0.00 0.00 0.00 56.01 56.47 1s6i n LEU 84 Cb 0.00 -1.08 0.65 0.00 -0.00 0.00 0.00 43.42 42.99 1s6i n LEU 84 CO 0.00 0.70 1.19 1.62 -0.00 0.00 0.00 177.39 180.90 1s6i h VAL 85 N -0.23 0.75 -0.84 1.47 3.04 -1.97 0.13 116.25 118.60 1s6i h VAL 85 Ca -0.41 -0.03 0.09 0.00 -1.01 0.00 0.00 66.70 65.34 1s6i h VAL 85 Cb 1.84 0.66 -0.06 0.00 -2.01 0.00 0.00 31.29 31.71 1s6i h VAL 85 CO 0.00 0.02 0.55 0.28 -1.01 0.00 0.00 177.57 177.40 1s6i h SER 86 N 0.09 0.75 0.05 3.17 0.02 -1.98 -1.57 113.55 114.08 1s6i h SER 86 Ca 0.27 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 1s6i h SER 86 Cb 0.96 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 1s6i h SER 86 CO -0.03 0.46 -0.61 0.00 -1.14 0.00 0.00 176.83 175.51 1s6i h ALA 87 N 1.57 0.05 -1.82 3.77 0.00 -1.04 -2.48 119.26 119.32 1s6i h ALA 87 Ca 0.38 -0.76 0.53 0.00 0.00 0.00 0.00 54.91 55.06 1s6i h ALA 87 Cb 0.37 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1s6i h ALA 87 CO -0.15 0.33 1.31 0.35 0.00 0.00 0.00 179.25 181.08 1s6i h PHE 88 N -0.76 0.00 0.03 0.00 3.57 -0.70 1.64 116.94 120.72 1s6i h PHE 88 Ca -0.14 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.10 1s6i h PHE 88 Cb 1.30 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1s6i h PHE 88 CO 0.21 -0.00 -1.44 1.03 -2.23 0.00 0.00 178.31 175.88 1s6i h SER 89 N 0.00 0.11 0.00 0.41 0.87 -1.37 -3.30 113.55 110.27 1s6i h SER 89 Ca 0.86 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1s6i h SER 89 Cb 3.47 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 65.39 1s6i h SER 89 CO -0.01 1.58 -0.15 0.22 -0.53 0.00 0.00 176.83 177.94 1s6i h TYR 90 N -0.74 0.00 0.37 2.24 3.20 0.57 -3.29 116.97 119.33 1s6i h TYR 90 Ca -0.37 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 1s6i h TYR 90 Cb 1.48 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 1s6i h TYR 90 CO 0.09 0.00 -0.35 0.74 -1.64 0.00 0.00 178.16 177.01 1s6i h PHE 91 N -0.61 -0.93 0.00 -3.82 -1.00 0.18 -1.40 116.94 109.36 1s6i h PHE 91 Ca 0.00 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.41 1s6i h PHE 91 Cb 0.15 0.36 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 1s6i h PHE 91 CO -0.07 -0.49 1.51 -0.25 -1.61 0.00 0.00 178.31 177.40 1s6i n ASP 92 N -5.46 6.15 -0.33 2.17 8.00 0.59 -4.61 116.55 123.05 1s6i n ASP 92 Ca -0.10 -2.44 0.19 0.00 0.71 0.00 0.00 54.79 53.16 1s6i n ASP 92 Cb 0.36 -1.35 0.44 0.00 -0.02 0.00 0.00 41.12 40.55 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1s6i h LYS 93 N 4.27 0.50 0.00 -1.24 3.64 -1.32 0.93 116.57 123.35 1s6i h LYS 93 Ca 0.46 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.76 1s6i h LYS 93 Cb 0.84 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1s6i h LYS 93 CO 0.94 0.33 -0.24 0.22 -2.27 0.00 0.00 179.45 178.43 1s6i h ASP 94 N 0.51 0.00 -6.32 4.20 1.82 -1.86 -3.48 116.42 111.29 1s6i h ASP 94 Ca 0.61 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.92 1s6i h ASP 94 Cb 1.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1s6i h ASP 94 CO -0.38 0.24 -0.87 0.61 -1.61 0.00 0.00 179.24 177.23 1s6i n GLY 95 N 0.63 -0.97 0.00 -0.78 0.00 0.32 -4.89 105.19 99.50 1s6i n GLY 95 Ca 0.01 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1s6i n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6i n SER 96 N -1.73 1.97 0.00 1.61 3.41 -1.26 -5.01 113.62 112.61 1s6i n SER 96 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1s6i n SER 96 Cb 0.64 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1s6i n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 97 N 1.42 -0.36 3.29 5.00 0.00 -1.26 -5.04 105.19 108.24 1s6i n GLY 97 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.54 -0.02 -0.28 1.61 1.51 -1.26 -1.37 117.35 117.01 1s6i s TYR 98 Ca 0.00 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1s6i s TYR 98 Cb 0.00 0.13 0.09 0.00 -0.11 0.00 0.00 41.96 42.07 1s6i s TYR 98 CO 0.00 -0.66 0.08 0.42 -1.11 0.00 0.00 175.55 174.29 1s6i s ILE 99 N -3.84 0.63 0.53 2.71 1.01 0.83 -4.69 121.20 118.37 1s6i s ILE 99 Ca 0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 1s6i s ILE 99 Cb 0.03 -1.38 -0.07 0.00 0.01 0.00 0.00 42.46 41.05 1s6i s ILE 99 CO -0.10 -0.56 1.07 0.42 0.00 0.00 0.00 174.94 175.77 1s6i s THR 100 N 1.76 3.59 0.36 2.92 -4.23 -1.26 -0.08 115.64 118.70 1s6i s THR 100 Ca 0.07 0.94 0.29 0.00 -1.18 0.00 0.00 61.69 61.81 1s6i s THR 100 Cb -0.17 -3.38 0.44 0.00 1.34 0.00 0.00 72.50 70.73 1s6i s THR 100 CO -0.23 -0.26 1.18 0.00 -0.54 0.00 0.00 174.62 174.78 1s6i n LEU 101 N -1.28 0.11 0.10 4.79 -0.00 -0.62 0.16 117.00 120.27 1s6i n LEU 101 Ca 0.10 0.96 -0.13 0.00 -0.00 0.00 0.00 56.01 56.94 1s6i n LEU 101 Cb 0.52 -0.47 -0.08 0.00 -0.00 0.00 0.00 43.42 43.39 1s6i n LEU 101 CO 0.42 -1.03 0.76 -0.78 -0.00 0.00 0.00 177.39 176.76 1s6i h ASP 102 N 0.00 -0.18 0.59 1.45 3.58 -1.89 0.17 116.42 120.15 1s6i h ASP 102 Ca 0.68 -0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.94 1s6i h ASP 102 Cb 2.37 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 43.45 1s6i h ASP 102 CO -0.25 -0.03 -0.53 -0.33 -2.88 0.00 0.00 179.24 175.23 1s6i h GLU 103 N -0.31 0.00 0.32 0.28 5.08 0.13 -1.52 114.58 118.55 1s6i h GLU 103 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1s6i h GLU 103 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1s6i h GLU 103 CO 0.03 0.53 -0.16 0.82 -1.00 0.00 0.00 179.01 179.24 1s6i h ILE 104 N 0.00 0.00 -0.98 3.13 2.04 -0.66 -0.43 117.51 120.60 1s6i h ILE 104 Ca -0.01 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.73 1s6i h ILE 104 Cb 0.96 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 1s6i h ILE 104 CO 0.07 0.00 0.63 1.56 0.00 0.00 0.00 178.15 180.41 1s6i h GLN 105 N -0.66 0.99 -0.13 2.37 4.20 -0.75 0.12 115.11 121.24 1s6i h GLN 105 Ca -0.04 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1s6i h GLN 105 Cb 0.33 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1s6i h GLN 105 CO 0.07 0.65 -0.20 0.37 -0.67 0.00 0.00 178.83 179.06 1s6i h GLN 106 N 1.02 0.22 0.00 1.46 5.75 -1.32 -2.16 115.11 120.07 1s6i h GLN 106 Ca 0.47 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.91 1s6i h GLN 106 Cb 0.40 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1s6i h GLN 106 CO -0.23 0.41 0.00 0.00 -2.65 0.00 0.00 178.83 176.37 1s6i n ALA 107 N -2.49 1.59 -2.96 3.38 0.00 0.41 -4.51 120.51 115.93 1s6i n ALA 107 Ca -0.01 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 1s6i n ALA 107 Cb 0.31 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.52 1s6i n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i h LYS 109 N 8.29 0.00 -0.01 0.00 3.64 -1.87 -3.41 116.57 123.22 1s6i h LYS 109 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1s6i h LYS 109 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1s6i h LYS 109 CO 0.59 0.00 -0.20 -0.40 -2.27 0.00 0.00 179.45 177.17 1s6i n ASP 110 N -4.32 0.94 0.25 4.20 5.68 -1.26 -3.98 116.55 118.05 1s6i n ASP 110 Ca -0.05 -0.87 0.17 0.00 -0.50 0.00 0.00 54.79 53.53 1s6i n ASP 110 Cb 0.20 0.07 0.79 0.00 -1.14 0.00 0.00 41.12 41.04 1s6i n ASP 110 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1s6i h PHE 111 N 1.16 0.00 -4.95 2.11 -1.00 -1.94 -3.46 116.94 108.85 1s6i h PHE 111 Ca 0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 1s6i h PHE 111 Cb 0.47 0.00 0.11 0.00 3.61 0.00 0.00 35.95 40.14 1s6i h PHE 111 CO 0.00 0.00 -0.58 0.41 -1.61 0.00 0.00 178.31 176.53 1s6i n GLY 112 N -0.49 -0.36 2.17 -1.45 0.00 -1.26 -4.87 105.19 98.93 1s6i n GLY 112 Ca -0.00 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1s6i n GLY 112 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s6i n LEU 113 N -4.24 -2.27 -3.81 0.99 -0.00 -1.26 -4.95 117.00 101.45 1s6i n LEU 113 Ca -0.01 0.47 -0.08 0.00 -0.00 0.00 0.00 56.01 56.38 1s6i n LEU 113 Cb 0.56 -0.57 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1s6i n LEU 113 CO 0.53 -3.06 0.55 -0.62 -0.00 0.00 0.00 177.39 174.79 1s6i s ASP 114 N -0.66 0.01 0.00 1.45 2.15 -1.26 -4.98 116.67 113.37 1s6i s ASP 114 Ca 0.38 -1.12 0.26 0.00 0.43 0.00 0.00 52.55 52.49 1s6i s ASP 114 Cb -0.36 0.83 0.64 0.00 -0.30 0.00 0.00 42.92 43.73 1s6i s ASP 114 CO 0.43 -1.66 1.50 -0.90 -0.17 0.00 0.00 175.17 174.37 1s6i n ASP 115 N -1.41 0.61 -0.08 -0.34 5.75 -1.26 -2.21 116.55 117.61 1s6i n ASP 115 Ca -0.08 -0.40 -0.10 0.00 -0.01 0.00 0.00 54.79 54.20 1s6i n ASP 115 Cb 0.60 0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 40.82 1s6i n ASP 115 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s6i n ILE 116 N -1.25 1.46 -0.01 2.12 0.13 -1.26 -4.43 119.36 116.12 1s6i n ILE 116 Ca 0.08 0.12 -0.01 0.00 -1.10 0.00 0.00 62.75 61.84 1s6i n ILE 116 Cb 0.34 -2.29 -0.00 0.00 -0.84 0.00 0.00 39.64 36.84 1s6i n ILE 116 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 1s6i n HIS 117 N -4.53 0.11 0.32 9.51 -0.00 -1.26 -4.20 115.22 115.17 1s6i n HIS 117 Ca -0.16 0.05 0.15 0.00 0.46 0.00 0.00 57.72 58.22 1s6i n HIS 117 Cb 0.42 -0.28 0.83 0.00 -0.12 0.00 0.00 29.99 30.84 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 -0.13 0.00 -0.46 3.57 1.08 -1.90 0.24 117.51 119.91 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 0.08 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 1s6i h ILE 118 CO 0.00 0.00 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.62 1s6i h ASP 119 N 0.00 0.86 0.78 1.72 3.58 -1.65 -1.92 116.42 119.79 1s6i h ASP 119 Ca 0.00 -0.34 -0.07 0.00 0.42 0.00 0.00 57.03 57.04 1s6i h ASP 119 Cb 0.59 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1s6i h ASP 119 CO 0.00 0.99 -0.34 -0.78 -2.88 0.00 0.00 179.24 176.23 1s6i h ASP 120 N 0.70 0.00 -0.24 2.28 1.82 -0.70 -2.51 116.42 117.76 1s6i h ASP 120 Ca 0.12 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.83 1s6i h ASP 120 Cb 0.59 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1s6i h ASP 120 CO 0.04 0.34 0.17 -0.03 -1.61 0.00 0.00 179.24 178.15 1s6i h MET 121 N 0.00 0.03 -0.63 0.28 4.05 -0.75 1.73 114.93 119.63 1s6i h MET 121 Ca -0.00 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 1s6i h MET 121 Cb 0.82 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 1s6i h MET 121 CO 0.04 0.02 0.40 0.82 0.23 0.00 0.00 176.91 178.42 1s6i h ILE 122 N 0.03 1.09 0.00 1.77 2.04 -1.22 0.62 117.51 121.85 1s6i h ILE 122 Ca 0.11 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1s6i h ILE 122 Cb 0.42 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1s6i h ILE 122 CO -0.01 0.14 -0.44 0.29 0.00 0.00 0.00 178.15 178.13 1s6i n LYS 123 N -4.70 0.19 0.08 2.37 4.01 0.10 -1.76 118.16 118.45 1s6i n LYS 123 Ca 0.06 0.08 -0.03 0.00 -0.51 0.00 0.00 58.31 57.91 1s6i n LYS 123 Cb 0.07 -1.64 -0.07 0.00 -0.51 0.00 0.00 35.03 32.88 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 0.48 -3.35 114.58 118.24 1s6i h GLU 124 Ca 0.00 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.81 1s6i h GLU 124 Cb 0.67 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.19 1s6i h GLU 124 CO 0.00 0.69 -2.40 -0.89 -1.18 0.00 0.00 179.01 175.24 1s6i n ILE 125 N -3.22 1.40 -2.70 2.32 5.41 0.19 -4.72 119.36 118.04 1s6i n ILE 125 Ca -0.02 -0.73 -0.43 0.00 1.00 0.00 0.00 62.75 62.57 1s6i n ILE 125 Cb 0.87 -0.83 -0.01 0.00 -0.71 0.00 0.00 39.64 38.95 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 -5.84 6.74 0.00 4.38 -1.08 -0.72 -4.72 116.67 115.43 1s6i s ASP 126 Ca -0.19 -2.17 0.26 0.00 -0.52 0.00 0.00 52.55 49.93 1s6i s ASP 126 Cb 0.07 -2.51 0.69 0.00 -1.46 0.00 0.00 42.92 39.70 1s6i s ASP 126 CO 0.73 -1.18 1.54 0.00 0.52 0.00 0.00 175.17 176.77 1s6i n GLN 127 N 7.71 0.11 0.00 4.34 0.00 -1.26 -4.38 117.38 123.90 1s6i n GLN 127 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 57.00 57.32 1s6i n GLN 127 Cb 0.48 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.22 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 -1.40 2.34 0.00 2.61 -0.08 -1.26 -4.54 116.55 114.22 1s6i n ASP 128 Ca 0.07 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1s6i n ASP 128 Cb 0.33 0.49 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1s6i n ASP 128 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1s6i n ASN 129 N -0.73 0.00 -0.73 1.67 5.15 -1.26 -4.26 115.26 115.10 1s6i n ASN 129 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 1s6i n ASN 129 Cb 0.00 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.45 1s6i n ASN 129 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1s6i n ASP 130 N 0.00 2.32 -0.10 1.20 -0.08 -1.26 -4.90 116.55 113.73 1s6i n ASP 130 Ca 0.00 -3.62 0.00 0.00 -1.51 0.00 0.00 54.79 49.66 1s6i n ASP 130 Cb 0.00 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 42.91 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s6i n GLY 131 N -1.11 1.16 3.63 0.27 0.00 -1.26 -4.94 105.19 102.93 1s6i n GLY 131 Ca 0.24 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.47 1.56 -0.07 1.61 -2.07 -1.26 -1.58 119.66 116.38 1s6i s GLN 132 Ca 0.00 -1.15 0.01 0.00 -1.82 0.00 0.00 55.36 52.40 1s6i s GLN 132 Cb 0.00 0.50 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 1s6i s GLN 132 CO 0.00 -0.66 -0.08 0.42 -1.32 0.00 0.00 175.29 173.65 1s6i s ILE 133 N -3.98 0.85 0.25 3.63 -1.09 0.89 -4.27 121.20 117.48 1s6i s ILE 133 Ca 0.18 -0.27 0.06 0.00 -2.23 0.00 0.00 60.65 58.39 1s6i s ILE 133 Cb -0.02 -0.84 -0.03 0.00 -1.58 0.00 0.00 42.46 39.99 1s6i s ILE 133 CO 0.07 0.31 0.31 -1.81 -1.23 0.00 0.00 174.94 172.59 1s6i s ASP 134 N 1.07 6.01 0.48 3.58 1.11 -1.26 0.29 116.67 127.94 1s6i s ASP 134 Ca -0.08 -0.07 0.37 0.00 0.18 0.00 0.00 52.55 52.95 1s6i s ASP 134 Cb -0.14 -1.64 1.53 0.00 1.07 0.00 0.00 42.92 43.74 1s6i s ASP 134 CO -0.01 -0.09 1.61 0.22 1.18 0.00 0.00 175.17 178.09 1s6i h TYR 135 N 1.26 0.34 0.12 4.23 3.20 -1.54 1.62 116.97 126.20 1s6i h TYR 135 Ca -0.50 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.09 1s6i h TYR 135 Cb 1.24 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1s6i h TYR 135 CO 0.48 -0.15 -1.43 0.78 -1.64 0.00 0.00 178.16 176.20 1s6i h GLY 136 N 0.04 0.30 0.91 1.82 0.00 -1.82 -2.73 103.07 101.60 1s6i h GLY 136 Ca 0.85 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1s6i h GLY 136 CO -0.29 0.67 -0.31 0.83 0.00 0.00 0.00 176.54 177.45 1s6i h GLU 137 N 0.07 -0.83 -0.79 4.80 4.39 0.22 -1.51 114.58 120.94 1s6i h GLU 137 Ca -0.21 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1s6i h GLU 137 Cb 2.01 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 30.81 1s6i h GLU 137 CO 0.18 -0.52 0.45 0.35 -1.16 0.00 0.00 179.01 178.31 1s6i h PHE 138 N -0.97 1.05 -0.47 4.33 3.57 -0.70 0.63 116.94 124.39 1s6i h PHE 138 Ca -0.09 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1s6i h PHE 138 Cb 0.69 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 1s6i h PHE 138 CO -0.01 0.71 0.31 0.00 -2.23 0.00 0.00 178.31 177.09 1s6i h ALA 139 N 1.41 1.82 0.00 2.41 0.00 -1.35 -1.93 119.26 121.62 1s6i h ALA 139 Ca 0.28 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1s6i h ALA 139 Cb -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1s6i h ALA 139 CO -0.05 0.12 -1.53 0.00 0.00 0.00 0.00 179.25 177.78 1s6i n ALA 140 N -2.49 1.82 -0.05 0.00 0.00 -0.57 -2.04 120.51 117.18 1s6i n ALA 140 Ca 0.05 -0.63 0.25 0.00 0.00 0.00 0.00 53.44 53.11 1s6i n ALA 140 Cb 0.17 -0.90 0.72 0.00 0.00 0.00 0.00 19.45 19.44 1s6i n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i h MET 141 N 0.00 0.00 0.00 0.00 3.00 0.10 -3.33 114.93 114.70 1s6i h MET 141 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.49 1s6i h MET 141 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31.60 33.31 1s6i h MET 141 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.91 176.96 1s6i n MET 142 N -3.99 0.00 -3.63 -0.10 0.00 -1.11 -5.08 117.12 103.20 1s6i n MET 142 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.79 1s6i n MET 142 Cb 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.99 1s6i n MET 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1s6i s ARG 143 N 2.11 0.18 0.00 3.17 3.03 -0.86 -4.91 118.95 121.66 1s6i s ARG 143 Ca 0.00 0.10 0.00 0.00 2.03 0.00 0.00 55.73 57.86 1s6i s ARG 143 Cb 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 34.95 34.00 1s6i s ARG 143 CO 0.00 -0.04 0.00 1.17 -1.13 0.00 0.00 175.30 175.30 1s6i n LYS 144 N 1.01 0.00 -0.10 3.89 3.00 -1.25 -4.93 118.16 119.77 1s6i n LYS 144 Ca -0.06 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.06 1s6i n LYS 144 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.53 1s6i n LYS 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s6i n ARG 145 N -2.01 0.47 -3.94 1.64 5.12 -1.26 -4.94 116.66 111.74 1s6i n ARG 145 Ca 0.00 0.16 -0.35 0.00 -1.93 0.00 0.00 57.85 55.74 1s6i n ARG 145 Cb 0.00 -1.32 -0.14 0.00 -1.16 0.00 0.00 32.46 29.84 1s6i n ARG 145 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1s6i s LYS 146 N -2.39 3.30 0.00 5.56 -0.14 -1.26 -4.98 119.74 119.82 1s6i s LYS 146 Ca -0.29 -0.67 0.26 0.00 -1.36 0.00 0.00 55.97 53.92 1s6i s LYS 146 Cb 0.10 -2.94 0.74 0.00 -1.68 0.00 0.00 37.83 34.05 1s6i s LYS 146 CO 0.41 -0.20 1.56 0.41 -0.76 0.00 0.00 175.35 176.76 1s6i n GLY 147 N 4.77 -0.50 3.44 -3.33 0.00 -1.26 -4.74 105.19 103.57 1s6i n GLY 147 Ca -0.19 -0.42 -0.55 0.00 0.00 0.00 0.00 46.02 44.86 1s6i n GLY 147 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s6i n ASN 148 N -0.51 1.72 0.17 1.61 4.05 -1.26 -4.80 115.26 116.24 1s6i n ASN 148 Ca 0.13 0.64 0.13 0.00 0.45 0.00 0.00 54.58 55.93 1s6i n ASN 148 Cb 0.36 -1.11 0.33 0.00 1.23 0.00 0.00 39.78 40.58 1s6i n ASN 148 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1s6i h GLY 149 N 10.12 0.00 2.00 8.20 0.00 -1.91 -3.17 103.07 118.31 1s6i h GLY 149 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1s6i h GLY 149 CO 1.03 0.00 -0.03 -1.33 0.00 0.00 0.00 176.54 176.21 1s6i h GLY 150 N 3.89 0.00 -4.34 4.60 0.00 -1.95 -3.46 103.07 101.81 1s6i h GLY 150 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1s6i h GLY 150 CO 0.00 0.00 -0.70 -0.42 0.00 0.00 0.00 176.54 175.42 1s6i s ILE 151 N -3.26 0.21 0.00 2.60 1.01 -1.20 -4.66 121.20 115.90 1s6i s ILE 151 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1s6i s ILE 151 Cb 0.06 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1s6i s ILE 151 CO 0.66 -0.66 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1s6i n GLY 152 N 1.06 0.81 2.43 6.18 0.00 -1.26 -4.63 105.19 109.78 1s6i n GLY 152 Ca -0.20 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1s6i n GLY 152 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6i s ARG 153 N 4.19 0.89 0.02 1.61 0.52 -0.93 -4.83 118.95 120.42 1s6i s ARG 153 Ca 0.00 -1.95 0.04 0.00 -0.52 0.00 0.00 55.73 53.30 1s6i s ARG 153 Cb 0.00 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 1s6i s ARG 153 CO 0.00 -1.37 -0.07 0.50 0.02 0.00 0.00 175.30 174.37 1s6i s ARG 154 N 0.21 2.48 0.33 3.54 6.06 -1.26 -3.17 118.95 127.14 1s6i s ARG 154 Ca 0.32 -0.77 0.11 0.00 -2.50 0.00 0.00 55.73 52.89 1s6i s ARG 154 Cb 0.02 -2.46 0.97 0.00 0.06 0.00 0.00 34.95 33.54 1s6i s ARG 154 CO -0.17 0.59 1.70 0.00 -2.50 0.00 0.00 175.30 174.91 1s6i h THR 155 N 3.67 0.42 -3.39 4.11 1.03 -1.99 -3.02 112.91 113.73 1s6i h THR 155 Ca -0.48 -0.15 -0.70 0.00 -0.01 0.00 0.00 66.41 65.06 1s6i h THR 155 Cb 1.17 -0.07 -0.35 0.00 -1.07 0.00 0.00 68.15 67.82 1s6i h THR 155 CO 0.53 0.08 -0.20 -0.04 -0.01 0.00 0.00 175.52 175.88 1s6i s MET 156 N -5.73 3.01 0.32 0.00 -1.94 -1.26 -5.07 119.30 108.62 1s6i s MET 156 Ca -0.10 -3.03 -0.28 0.00 -1.71 0.00 0.00 55.69 50.57 1s6i s MET 156 Cb 0.28 -3.87 -0.10 0.00 2.01 0.00 0.00 34.83 33.16 1s6i s MET 156 CO 0.79 -1.24 1.15 1.03 -0.01 0.00 0.00 175.02 176.74 1s6i s ARG 157 N -0.91 4.46 -0.28 2.03 0.52 -1.15 -4.92 118.95 118.71 1s6i s ARG 157 Ca 0.24 1.88 -0.20 0.00 -0.52 0.00 0.00 55.73 57.12 1s6i s ARG 157 Cb -0.11 -3.05 0.12 0.00 0.52 0.00 0.00 34.95 32.43 1s6i s ARG 157 CO -0.10 0.03 0.92 -1.59 0.02 0.00 0.00 175.30 174.58 1s6i s LYS 158 N -1.72 0.52 -0.61 3.54 -2.85 -1.26 -5.12 119.74 112.25 1s6i s LYS 158 Ca 0.48 0.77 -0.17 0.00 -1.00 0.00 0.00 55.97 56.05 1s6i s LYS 158 Cb -0.33 0.18 0.13 0.00 -2.06 0.00 0.00 37.83 35.75 1s6i s LYS 158 CO 0.42 -0.09 0.63 0.99 0.10 0.00 0.00 175.35 177.40 1s6i s THR 159 N 0.91 5.10 -0.28 3.79 2.01 -1.26 -4.73 115.64 121.19 1s6i s THR 159 Ca -0.04 -1.43 -0.02 0.00 0.31 0.00 0.00 61.69 60.51 1s6i s THR 159 Cb -0.04 -4.43 0.12 0.00 0.01 0.00 0.00 72.50 68.16 1s6i s THR 159 CO -0.11 -1.01 0.26 -0.22 -0.69 0.00 0.00 174.62 172.85 1s6i s LEU 160 N 1.86 -0.12 -0.29 4.42 0.20 -1.26 -5.01 118.68 118.49 1s6i s LEU 160 Ca 0.09 -0.73 -0.24 0.00 0.69 0.00 0.00 54.13 53.94 1s6i s LEU 160 Cb -0.25 0.38 0.15 0.00 -0.43 0.00 0.00 46.19 46.04 1s6i s LEU 160 CO 0.02 -0.39 1.15 0.54 -0.29 0.00 0.00 176.35 177.39 1s6i s ASN 161 N 2.32 -0.33 0.29 3.68 4.22 -1.26 -5.07 114.94 118.79 1s6i s ASN 161 Ca 0.09 0.62 -0.19 0.00 -2.14 0.00 0.00 52.86 51.25 1s6i s ASN 161 Cb -0.14 0.71 -0.09 0.00 1.28 0.00 0.00 41.25 43.01 1s6i s ASN 161 CO -0.30 -0.11 0.77 -0.76 -2.04 0.00 0.00 177.10 174.66 1s6i s LEU 162 N 0.34 4.20 0.09 3.54 1.43 -1.26 -4.81 118.68 122.21 1s6i s LEU 162 Ca 0.02 1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 54.37 1s6i s LEU 162 Cb -0.05 -3.90 -0.07 0.00 0.03 0.00 0.00 46.19 42.20 1s6i s LEU 162 CO -0.10 -0.10 0.56 -0.60 0.23 0.00 0.00 176.35 176.33 1s6i s ARG 163 N -2.48 4.13 0.09 1.70 3.52 -1.26 -5.02 118.95 119.63 1s6i s ARG 163 Ca 0.50 0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 56.46 1s6i s ARG 163 Cb -0.14 -3.16 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 1s6i s ARG 163 CO 0.19 0.60 1.80 -0.51 -0.81 0.00 0.00 175.30 176.57 1s6i s ASP 164 N -1.26 6.49 0.02 -2.12 1.11 -1.26 -4.89 116.67 114.75 1s6i s ASP 164 Ca 0.31 2.65 -0.32 0.00 0.18 0.00 0.00 52.55 55.37 1s6i s ASP 164 Cb -0.18 -2.56 -0.10 0.00 1.07 0.00 0.00 42.92 41.15 1s6i s ASP 164 CO 0.19 -0.98 1.91 0.00 1.18 0.00 0.00 175.17 177.47 1s6i n ALA 165 N 6.03 1.47 0.14 5.23 0.00 -1.26 -4.86 120.51 127.25 1s6i n ALA 165 Ca 0.18 0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.90 1s6i n ALA 165 Cb 0.39 -2.60 0.02 0.00 0.00 0.00 0.00 19.45 17.27 1s6i n ALA 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1s6i h LEU 166 N 9.66 0.00 0.00 0.00 5.85 -2.06 -3.47 115.31 125.29 1s6i h LEU 166 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1s6i h LEU 166 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1s6i h LEU 166 CO 0.94 0.48 0.00 0.61 -0.34 0.00 0.00 178.44 180.13 1s6i n GLY 167 N 1.23 2.21 3.76 3.75 0.00 -1.26 -5.12 105.19 109.77 1s6i n GLY 167 Ca 0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 3.29 -0.13 0.99 1.43 -1.26 -5.03 118.68 117.96 1s6i s LEU 168 Ca 0.00 2.00 -0.04 0.00 -1.03 0.00 0.00 54.13 55.05 1s6i s LEU 168 Cb 0.00 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1s6i s LEU 168 CO 0.00 -1.81 0.03 0.54 0.23 0.00 0.00 176.35 175.34 1s6i s VAL 169 N -2.44 4.51 0.00 -1.59 0.11 -1.26 -4.89 120.40 114.84 1s6i s VAL 169 Ca 0.66 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 1s6i s VAL 169 Cb -0.21 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.68 1s6i s VAL 169 CO 0.45 0.54 0.00 0.47 -3.33 0.00 0.00 175.10 173.23 1s6i n ASP 170 N 2.82 1.65 -0.11 3.54 9.92 -1.26 -5.09 116.55 128.01 1s6i n ASP 170 Ca -0.18 -0.70 -0.24 0.00 -0.53 0.00 0.00 54.79 53.15 1s6i n ASP 170 Cb 0.53 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.90 1s6i n ASP 170 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1s6i n ASN 171 N -0.94 1.97 -0.74 -2.24 4.13 -1.26 -5.10 115.26 111.08 1s6i n ASN 171 Ca 0.00 0.20 0.05 0.00 1.68 0.00 0.00 54.58 56.52 1s6i n ASN 171 Cb 0.00 -0.74 -0.01 0.00 -1.54 0.00 0.00 39.78 37.49 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s6i n GLY 172 N 1.66 -1.67 0.00 7.41 0.00 -1.26 -5.02 105.19 106.31 1s6i n GLY 172 Ca -0.45 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1s6i n GLY 172 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6i n SER 173 N -2.13 0.00 -2.72 1.61 2.88 -1.26 -5.08 113.62 106.92 1s6i n SER 173 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1s6i n SER 173 Cb 0.18 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.71 1s6i n SER 173 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1s6i n ASN 174 N -0.95 -2.24 -4.09 -3.46 2.85 -1.26 -5.10 115.26 101.01 1s6i n ASN 174 Ca 0.00 -2.83 -0.35 0.00 -0.11 0.00 0.00 54.58 51.30 1s6i n ASN 174 Cb 0.00 1.48 -0.12 0.00 1.24 0.00 0.00 39.78 42.38 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1s6i s GLN 175 N 0.42 1.98 0.33 1.20 -1.52 -1.26 -5.09 119.66 115.71 1s6i s GLN 175 Ca 0.28 -1.97 -0.29 0.00 -1.95 0.00 0.00 55.36 51.43 1s6i s GLN 175 Cb 0.24 -3.52 -0.10 0.00 -0.22 0.00 0.00 33.01 29.41 1s6i s GLN 175 CO -0.17 -1.06 1.33 0.14 -0.25 0.00 0.00 175.29 175.28 1s6i s VAL 176 N 0.85 2.67 -0.32 1.09 -7.23 -1.26 -5.01 120.40 111.19 1s6i s VAL 176 Ca 0.10 0.66 0.04 0.00 -1.81 0.00 0.00 61.98 60.97 1s6i s VAL 176 Cb -0.22 -3.42 0.09 0.00 0.56 0.00 0.00 36.38 33.39 1s6i s VAL 176 CO -0.05 0.15 0.00 -0.63 -0.31 0.00 0.00 175.10 174.27 1s6i s ILE 177 N -1.03 2.22 -0.45 -0.62 -1.09 -1.26 -5.07 121.20 113.90 1s6i s ILE 177 Ca 0.50 -2.13 -0.12 0.00 -2.23 0.00 0.00 60.65 56.67 1s6i s ILE 177 Cb -0.40 -2.55 0.08 0.00 -1.58 0.00 0.00 42.46 38.00 1s6i s ILE 177 CO 0.53 -0.43 0.34 -0.70 -1.23 0.00 0.00 174.94 173.44 1s6i s GLU 178 N 0.97 2.80 0.00 2.79 -6.30 -1.26 -4.89 118.70 112.81 1s6i s GLU 178 Ca 0.05 -1.43 0.00 0.00 -2.50 0.00 0.00 54.97 51.09 1s6i s GLU 178 Cb -0.19 -3.98 0.00 0.00 0.00 0.00 0.00 34.13 29.96 1s6i s GLU 178 CO -0.07 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1s6i n GLY 179 N 5.07 -1.99 1.78 -1.50 0.00 -1.26 -5.02 105.19 102.27 1s6i n GLY 179 Ca -0.11 0.95 -0.16 0.00 0.00 0.00 0.00 46.02 46.70 1s6i n GLY 179 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s6i n TYR 180 N 0.00 1.80 -0.04 1.61 4.02 -1.26 -4.36 117.16 118.93 1s6i n TYR 180 Ca 0.00 -1.52 -0.12 0.00 -0.01 0.00 0.00 57.90 56.25 1s6i n TYR 180 Cb 0.00 -0.76 -0.11 0.00 -0.02 0.00 0.00 39.34 38.45 1s6i n TYR 180 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 1s6i h PHE 181 N 0.85 -0.03 -0.02 -0.72 3.57 -2.02 -3.53 116.94 115.04 1s6i h PHE 181 Ca 0.36 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1s6i h PHE 181 Cb 1.76 0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.51 1s6i h PHE 181 CO 0.92 0.71 0.00 1.17 -2.23 0.00 0.00 178.31 178.89