#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6i n GLU 2 N 0.00 4.59 -3.85 0.00 -0.58 -1.26 -4.84 120.64 114.71 1s6i n GLU 2 Ca 0.00 -0.16 -0.30 0.00 -0.42 0.00 0.00 57.16 56.29 1s6i n GLU 2 Cb 0.00 -0.72 -0.11 0.00 -0.57 0.00 0.00 31.44 30.04 1s6i n GLU 2 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1s6i s ARG 3 N -1.01 2.64 0.40 3.49 1.81 -1.26 -5.07 118.95 119.95 1s6i s ARG 3 Ca 0.02 -3.35 0.02 0.00 -1.72 0.00 0.00 55.73 50.69 1s6i s ARG 3 Cb 0.02 -3.53 0.02 0.00 -0.45 0.00 0.00 34.95 31.01 1s6i s ARG 3 CO 0.09 -1.28 0.18 1.28 -0.68 0.00 0.00 175.30 174.88 1s6i n LEU 4 N 2.01 0.00 -4.22 2.53 4.77 -1.26 -5.10 117.00 115.73 1s6i n LEU 4 Ca 0.20 -2.27 -0.13 0.00 -0.03 0.00 0.00 56.01 53.79 1s6i n LEU 4 Cb 0.35 0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1s6i n LEU 4 CO 0.29 -0.44 -0.27 -0.44 -1.33 0.00 0.00 177.39 175.21 1s6i s SER 5 N -3.30 0.59 -0.00 -1.43 0.01 -1.26 -5.05 113.70 103.25 1s6i s SER 5 Ca 0.13 -1.32 0.12 0.00 1.31 0.00 0.00 55.95 56.20 1s6i s SER 5 Cb -0.01 0.27 -0.15 0.00 0.21 0.00 0.00 66.02 66.35 1s6i s SER 5 CO 0.09 -0.75 0.49 -0.62 0.41 0.00 0.00 173.24 172.85 1s6i n GLU 6 N -0.28 2.45 0.11 12.44 1.02 -1.26 -4.42 120.64 130.71 1s6i n GLU 6 Ca -0.01 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.22 1s6i n GLU 6 Cb 0.65 -1.13 0.02 0.00 -0.02 0.00 0.00 31.44 30.96 1s6i n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1s6i h GLU 7 N 0.00 0.00 -0.09 3.49 5.08 -1.97 -3.35 114.58 117.73 1s6i h GLU 7 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1s6i h GLU 7 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1s6i h GLU 7 CO 0.00 0.00 -0.75 1.49 -1.00 0.00 0.00 179.01 178.75 1s6i h GLU 8 N 0.00 0.50 -0.07 2.33 4.22 -2.00 -3.17 114.58 116.38 1s6i h GLU 8 Ca 0.00 -0.42 -0.07 0.00 0.08 0.00 0.00 59.36 58.95 1s6i h GLU 8 Cb 0.99 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1s6i h GLU 8 CO 0.00 1.05 -0.28 0.97 -2.18 0.00 0.00 179.01 178.57 1s6i h ILE 9 N 0.34 1.23 -3.14 2.32 6.09 -1.80 -3.41 117.51 119.14 1s6i h ILE 9 Ca -0.04 -1.09 -0.63 0.00 -1.37 0.00 0.00 64.86 61.73 1s6i h ILE 9 Cb 1.35 1.49 -0.09 0.00 0.47 0.00 0.00 36.82 40.03 1s6i h ILE 9 CO 0.14 0.32 -0.61 -0.83 -3.07 0.00 0.00 178.15 174.10 1s6i s GLY 10 N -4.19 1.94 0.00 8.18 0.00 -1.20 -4.46 107.32 107.59 1s6i s GLY 10 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1s6i s GLY 10 CO 0.73 -1.07 0.00 0.61 0.00 0.00 0.00 173.10 173.38 1s6i n GLY 11 N 0.34 1.42 0.14 0.20 0.00 -1.26 -4.87 105.19 101.15 1s6i n GLY 11 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 0.51 -0.44 0.99 5.85 -1.79 -2.45 115.31 117.98 1s6i h LEU 12 Ca 0.00 -0.86 0.04 0.00 0.84 0.00 0.00 57.88 57.90 1s6i h LEU 12 Cb 0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1s6i h LEU 12 CO 0.00 1.74 0.19 0.11 -0.34 0.00 0.00 178.44 180.14 1s6i h LYS 13 N 0.09 0.37 -0.21 1.25 1.57 -1.90 0.20 116.57 117.94 1s6i h LYS 13 Ca -0.36 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 1s6i h LYS 13 Cb 2.07 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 1s6i h LYS 13 CO 0.15 0.25 -0.34 0.93 -0.57 0.00 0.00 179.45 179.86 1s6i h GLU 14 N 0.39 0.45 -0.04 3.15 3.07 -1.98 -2.15 114.58 117.46 1s6i h GLU 14 Ca 0.20 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1s6i h GLU 14 Cb 0.14 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1s6i h GLU 14 CO -0.17 0.74 0.03 1.25 -1.40 0.00 0.00 179.01 179.47 1s6i h LEU 15 N 0.39 0.00 -0.61 1.33 5.85 -0.42 0.83 115.31 122.68 1s6i h LEU 15 Ca 0.04 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.65 1s6i h LEU 15 Cb 0.79 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1s6i h LEU 15 CO 0.06 0.00 -0.16 0.15 -0.34 0.00 0.00 178.44 178.15 1s6i h PHE 16 N 0.00 1.05 0.00 1.25 3.57 -0.03 -1.82 116.94 120.96 1s6i h PHE 16 Ca 0.02 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1s6i h PHE 16 Cb 0.09 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1s6i h PHE 16 CO 0.00 1.01 -0.66 1.57 -2.23 0.00 0.00 178.31 178.01 1s6i h LYS 17 N 0.82 0.00 0.00 1.11 2.10 -1.20 -2.98 116.57 116.41 1s6i h LYS 17 Ca 0.12 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.74 1s6i h LYS 17 Cb 0.71 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1s6i h LYS 17 CO 0.05 0.00 -0.12 1.98 -2.00 0.00 0.00 179.45 179.36 1s6i h MET 18 N 0.00 0.00 0.46 0.07 4.05 0.10 -2.32 114.93 117.30 1s6i h MET 18 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1s6i h MET 18 Cb 0.99 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1s6i h MET 18 CO 0.00 0.12 -0.22 0.82 0.23 0.00 0.00 176.91 177.86 1s6i h ILE 19 N 0.00 0.05 -1.05 1.77 1.08 -1.18 -3.38 117.51 114.80 1s6i h ILE 19 Ca -0.00 -0.56 -0.56 0.00 -0.39 0.00 0.00 64.86 63.35 1s6i h ILE 19 Cb 0.27 0.08 -0.09 0.00 -3.07 0.00 0.00 36.82 34.00 1s6i h ILE 19 CO 0.02 0.01 1.41 -0.62 -0.69 0.00 0.00 178.15 178.28 1s6i s ASP 20 N -4.85 6.32 -0.05 1.72 2.15 -0.87 -3.94 116.67 117.15 1s6i s ASP 20 Ca -0.10 -1.36 0.02 0.00 0.43 0.00 0.00 52.55 51.54 1s6i s ASP 20 Cb 0.01 -2.57 -0.25 0.00 -0.30 0.00 0.00 42.92 39.81 1s6i s ASP 20 CO 0.30 -1.67 0.64 0.00 -0.17 0.00 0.00 175.17 174.26 1s6i h THR 21 N 6.84 0.89 0.00 1.71 1.03 -1.74 -3.42 112.91 118.22 1s6i h THR 21 Ca 0.19 -2.64 0.00 0.00 -0.01 0.00 0.00 66.41 63.95 1s6i h THR 21 Cb 1.01 2.55 0.00 0.00 -1.07 0.00 0.00 68.15 70.64 1s6i h THR 21 CO 1.40 0.72 -0.33 -0.90 -0.01 0.00 0.00 175.52 176.40 1s6i n ASP 22 N -3.30 0.02 0.00 0.00 5.75 -1.26 -5.02 116.55 112.74 1s6i n ASP 22 Ca -0.21 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1s6i n ASP 22 Cb 1.04 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 1s6i n ASP 22 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1s6i n ASN 23 N -0.01 0.00 0.00 -1.12 4.13 -1.26 -5.04 115.26 111.96 1s6i n ASN 23 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1s6i n ASN 23 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s6i n SER 24 N -0.15 0.00 0.00 6.41 3.41 -1.26 -4.99 113.62 117.04 1s6i n SER 24 Ca 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 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 1.56 3.40 5.00 0.00 -1.26 -5.12 105.19 108.78 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 1.32 -0.32 2.61 -4.23 -1.26 -4.75 115.64 107.02 1s6i s THR 26 Ca 0.00 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1s6i s THR 26 Cb 0.00 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.43 1s6i s THR 26 CO 0.00 -0.23 0.04 -0.63 -0.54 0.00 0.00 174.62 173.26 1s6i s ILE 27 N -3.22 1.90 0.33 2.99 1.01 0.34 -4.41 121.20 120.14 1s6i s ILE 27 Ca 0.31 -1.99 0.07 0.00 0.00 0.00 0.00 60.65 59.04 1s6i s ILE 27 Cb 0.06 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 1s6i s ILE 27 CO 0.12 -0.54 0.36 0.42 0.00 0.00 0.00 174.94 175.31 1s6i s THR 28 N 1.12 3.80 0.26 2.92 -4.23 -1.26 0.20 115.64 118.45 1s6i s THR 28 Ca 0.08 -1.21 0.16 0.00 -1.18 0.00 0.00 61.69 59.54 1s6i s THR 28 Cb -0.19 -3.29 0.26 0.00 1.34 0.00 0.00 72.50 70.62 1s6i s THR 28 CO -0.11 -0.17 1.08 0.33 -0.54 0.00 0.00 174.62 175.21 1s6i n PHE 29 N -1.48 0.74 -0.03 3.99 7.35 -1.06 0.18 117.46 127.15 1s6i n PHE 29 Ca -0.01 0.75 -0.16 0.00 -0.76 0.00 0.00 57.45 57.27 1s6i n PHE 29 Cb 0.59 -1.17 -0.08 0.00 0.35 0.00 0.00 39.48 39.17 1s6i n PHE 29 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 1s6i h ASP 30 N 0.00 0.61 1.17 -2.13 3.04 -1.93 -3.14 116.42 114.04 1s6i h ASP 30 Ca 0.59 -0.63 -0.06 0.00 -3.24 0.00 0.00 57.03 53.69 1s6i h ASP 30 Cb 1.63 -0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 39.73 1s6i h ASP 30 CO -0.49 1.13 -0.30 -0.33 -2.04 0.00 0.00 179.24 177.22 1s6i h GLU 31 N 0.12 0.00 0.03 4.15 5.08 0.16 -2.44 114.58 121.69 1s6i h GLU 31 Ca -0.03 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1s6i h GLU 31 Cb 1.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 1s6i h GLU 31 CO 0.10 0.30 -0.26 1.25 -1.00 0.00 0.00 179.01 179.40 1s6i h LEU 32 N 0.00 -0.76 0.16 1.33 6.46 0.13 0.64 115.31 123.27 1s6i h LEU 32 Ca -0.00 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1s6i h LEU 32 Cb 0.96 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 1s6i h LEU 32 CO 0.04 -0.33 -0.08 0.07 -0.62 0.00 0.00 178.44 177.52 1s6i h LYS 33 N -0.42 -0.20 -0.88 1.25 2.10 -1.59 -3.34 116.57 113.49 1s6i h LYS 33 Ca 0.05 0.01 0.20 0.00 -2.00 0.00 0.00 60.65 58.92 1s6i h LYS 33 Cb 0.49 0.05 -0.17 0.00 -0.90 0.00 0.00 32.23 31.70 1s6i h LYS 33 CO -0.21 -0.14 -0.12 -3.47 -2.00 0.00 0.00 179.45 173.52 1s6i n ASP 34 N -4.28 -0.23 -0.10 7.07 2.03 -0.92 0.15 116.55 120.28 1s6i n ASP 34 Ca -0.03 1.51 -0.08 0.00 0.52 0.00 0.00 54.79 56.71 1s6i n ASP 34 Cb 0.08 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.97 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 -0.27 0.26 0.27 0.00 -0.98 0.11 103.07 102.46 1s6i h GLY 35 Ca 0.47 0.40 -0.28 0.00 0.00 0.00 0.00 47.33 47.92 1s6i h GLY 35 CO -0.87 -0.21 -1.55 -2.00 0.00 0.00 0.00 176.54 171.91 1s6i h LEU 36 N -0.27 0.18 -1.19 3.11 7.12 -1.07 -3.33 115.31 119.85 1s6i h LEU 36 Ca 0.16 -0.69 0.00 0.00 0.13 0.00 0.00 57.88 57.48 1s6i h LEU 36 Cb 0.53 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1s6i h LEU 36 CO -0.51 1.64 0.39 0.50 -0.13 0.00 0.00 178.44 180.33 1s6i h LYS 37 N -0.56 0.00 -0.69 1.25 3.64 0.13 -0.10 116.57 120.25 1s6i h LYS 37 Ca -0.38 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 1s6i h LYS 37 Cb 1.60 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.39 1s6i h LYS 37 CO -0.09 0.00 0.45 -0.09 -2.27 0.00 0.00 179.45 177.46 1s6i h ARG 38 N 0.00 0.89 -1.17 1.90 2.43 -0.88 -2.55 114.38 114.99 1s6i h ARG 38 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1s6i h ARG 38 Cb 0.77 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1s6i h ARG 38 CO 0.00 0.59 0.00 1.33 -1.51 0.00 0.00 179.97 180.38 1s6i n VAL 39 N -4.62 1.02 0.00 0.20 0.24 -0.05 -4.72 118.33 110.40 1s6i n VAL 39 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1s6i n VAL 39 Cb 0.03 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 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 0.64 3.12 3.52 7.63 0.00 -0.97 -5.02 105.19 114.11 1s6i n GLY 40 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.13 -0.66 -3.64 1.61 7.64 -1.19 -4.99 113.62 112.52 1s6i n SER 41 Ca 0.00 0.58 -0.17 0.00 1.01 0.00 0.00 58.87 60.29 1s6i n SER 41 Cb 0.00 -1.29 -0.15 0.00 -1.01 0.00 0.00 64.21 61.76 1s6i n SER 41 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1s6i s GLU 42 N -3.12 0.07 0.35 1.43 -1.05 -1.26 -4.25 118.70 110.88 1s6i s GLU 42 Ca 0.67 0.52 0.09 0.00 -0.15 0.00 0.00 54.97 56.10 1s6i s GLU 42 Cb -0.33 -0.43 -0.07 0.00 -0.44 0.00 0.00 34.13 32.87 1s6i s GLU 42 CO 0.56 -0.37 -0.07 -0.51 0.95 0.00 0.00 175.26 175.83 1s6i s LEU 43 N 2.31 2.78 0.13 1.83 1.43 -1.26 -5.10 118.68 120.80 1s6i s LEU 43 Ca 0.03 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 1s6i s LEU 43 Cb -0.13 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 1s6i s LEU 43 CO -0.07 -0.25 0.13 0.00 0.23 0.00 0.00 176.35 176.39 1s6i s MET 44 N -3.63 2.95 0.19 1.70 0.23 -1.26 -4.99 119.30 114.48 1s6i s MET 44 Ca 0.33 -0.77 -0.23 0.00 -1.03 0.00 0.00 55.69 53.99 1s6i s MET 44 Cb 0.03 -2.71 0.10 0.00 -1.53 0.00 0.00 34.83 30.72 1s6i s MET 44 CO 0.17 0.52 1.56 0.93 -2.03 0.00 0.00 175.02 176.17 1s6i h GLU 45 N 2.75 -0.10 -0.09 3.16 3.07 -2.00 0.43 114.58 121.81 1s6i h GLU 45 Ca -0.47 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.42 1s6i h GLU 45 Cb 1.18 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1s6i h GLU 45 CO 0.65 -0.07 0.28 0.77 -1.40 0.00 0.00 179.01 179.25 1s6i h SER 46 N -0.10 0.00 -0.05 1.42 0.02 -1.96 0.24 113.55 113.12 1s6i h SER 46 Ca 0.24 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1s6i h SER 46 Cb 0.55 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.10 1s6i h SER 46 CO -0.84 0.00 -0.49 -0.33 -1.14 0.00 0.00 176.83 174.03 1s6i h GLU 47 N 0.00 0.42 0.22 3.45 5.08 -0.44 -2.20 114.58 121.09 1s6i h GLU 47 Ca 0.04 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1s6i h GLU 47 Cb 0.61 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1s6i h GLU 47 CO -0.00 1.04 -0.18 0.82 -1.00 0.00 0.00 179.01 179.69 1s6i h ILE 48 N -0.07 0.61 -0.72 3.13 5.03 -0.21 -0.67 117.51 124.61 1s6i h ILE 48 Ca -0.05 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.90 1s6i h ILE 48 Cb 1.17 0.61 -0.03 0.00 -3.03 0.00 0.00 36.82 35.54 1s6i h ILE 48 CO 0.10 0.00 0.51 0.50 -0.68 0.00 0.00 178.15 178.58 1s6i h LYS 49 N -0.41 0.02 0.01 2.37 3.64 -1.19 -0.76 116.57 120.25 1s6i h LYS 49 Ca -0.01 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1s6i h LYS 49 Cb 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1s6i h LYS 49 CO -0.02 0.02 -0.00 0.22 -2.27 0.00 0.00 179.45 177.39 1s6i h ASP 50 N 0.02 -0.01 0.05 4.20 1.82 -0.46 -1.32 116.42 120.72 1s6i h ASP 50 Ca 0.34 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1s6i h ASP 50 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1s6i h ASP 50 CO -0.01 0.14 0.00 -0.11 -1.61 0.00 0.00 179.24 177.65 1s6i n LEU 51 N -5.02 0.58 -0.03 2.28 7.94 -0.31 -0.49 117.00 121.95 1s6i n LEU 51 Ca -0.08 0.76 -0.02 0.00 -1.11 0.00 0.00 56.01 55.57 1s6i n LEU 51 Cb 0.10 -0.82 -0.01 0.00 0.53 0.00 0.00 43.42 43.22 1s6i n LEU 51 CO 0.33 -0.94 -0.12 0.24 -1.11 0.00 0.00 177.39 175.80 1s6i h MET 52 N 0.00 0.00 0.06 1.96 2.86 -1.07 0.29 114.93 119.03 1s6i h MET 52 Ca 0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1s6i h MET 52 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1s6i h MET 52 CO 0.00 0.00 -1.07 0.22 1.06 0.00 0.00 176.91 177.12 1s6i h ASP 53 N -0.42 0.26 1.15 1.22 3.58 -1.31 0.32 116.42 121.22 1s6i h ASP 53 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1s6i h ASP 53 Cb 0.17 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1s6i h ASP 53 CO 0.00 1.16 -0.68 0.00 -2.88 0.00 0.00 179.24 176.84 1s6i h ALA 54 N 0.81 0.63 0.00 -0.78 0.00 -0.97 -3.42 119.26 115.52 1s6i h ALA 54 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1s6i h ALA 54 Cb 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1s6i h ALA 54 CO 0.16 0.00 -0.65 0.00 0.00 0.00 0.00 179.25 178.77 1s6i n ALA 55 N -2.05 2.36 -1.55 0.00 0.00 -1.03 -4.96 120.51 113.28 1s6i n ALA 55 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 1s6i n ALA 55 Cb 0.51 0.32 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.39 2.14 -0.09 0.00 2.03 0.10 -4.74 116.55 113.61 1s6i n ASP 56 Ca 0.00 -0.85 0.25 0.00 0.52 0.00 0.00 54.79 54.71 1s6i n ASP 56 Cb 0.32 -1.61 0.60 0.00 -0.72 0.00 0.00 41.12 39.71 1s6i n ASP 56 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s6i h ILE 57 N 7.71 0.18 -0.87 5.18 1.08 -1.87 0.11 117.51 129.02 1s6i h ILE 57 Ca -0.16 0.00 -0.43 0.00 -0.39 0.00 0.00 64.86 63.88 1s6i h ILE 57 Cb 1.18 0.31 -0.41 0.00 -3.07 0.00 0.00 36.82 34.83 1s6i h ILE 57 CO 1.11 0.00 -0.96 0.47 -0.69 0.00 0.00 178.15 178.08 1s6i n ASP 58 N -3.49 3.24 -2.98 1.72 8.00 -1.26 -5.06 116.55 116.71 1s6i n ASP 58 Ca 0.16 -3.05 -0.28 0.00 0.71 0.00 0.00 54.79 52.34 1s6i n ASP 58 Cb 1.11 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 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 -0.50 0.00 0.00 -1.24 3.00 0.38 -4.67 118.16 115.13 1s6i n LYS 59 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 1s6i n LYS 59 Cb 0.83 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.86 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 6.91 1.24 0.00 3.14 3.41 -1.26 -4.95 113.62 122.11 1s6i n SER 60 Ca 0.44 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 1s6i n SER 60 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.30 0.42 3.17 5.00 0.00 -1.26 -5.04 105.19 107.18 1s6i n GLY 61 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.15 0.10 -0.04 2.61 -1.32 -1.23 -2.57 115.64 111.03 1s6i s THR 62 Ca 0.00 -1.83 0.04 0.00 -1.21 0.00 0.00 61.69 58.70 1s6i s THR 62 Cb 0.00 -1.98 -0.00 0.00 -1.51 0.00 0.00 72.50 69.00 1s6i s THR 62 CO 0.00 -0.47 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.13 1s6i s ILE 63 N -4.03 1.45 0.35 5.08 1.01 0.54 -4.76 121.20 120.85 1s6i s ILE 63 Ca 0.22 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 60.22 1s6i s ILE 63 Cb 0.07 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1s6i s ILE 63 CO 0.01 0.42 0.33 1.51 0.00 0.00 0.00 174.94 177.20 1s6i s ASP 64 N 0.02 5.28 0.26 3.58 1.47 -1.26 -0.50 116.67 125.52 1s6i s ASP 64 Ca -0.04 -0.53 0.02 0.00 1.18 0.00 0.00 52.55 53.19 1s6i s ASP 64 Cb -0.11 -0.89 0.65 0.00 -0.34 0.00 0.00 42.92 42.22 1s6i s ASP 64 CO 0.02 -0.43 1.28 0.00 0.68 0.00 0.00 175.17 176.72 1s6i n TYR 65 N -1.43 0.54 0.25 2.11 9.36 -1.26 -0.43 117.16 126.29 1s6i n TYR 65 Ca -0.00 0.98 -0.10 0.00 3.32 0.00 0.00 57.90 62.10 1s6i n TYR 65 Cb 0.60 -1.12 -0.05 0.00 -0.63 0.00 0.00 39.34 38.14 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 -0.68 0.05 2.98 0.00 -2.00 -2.63 103.07 100.79 1s6i h GLY 66 Ca 0.50 0.25 0.27 0.00 0.00 0.00 0.00 47.33 48.36 1s6i h GLY 66 CO -0.76 -0.25 0.71 0.83 0.00 0.00 0.00 176.54 177.07 1s6i h GLU 67 N -0.79 0.00 0.53 4.80 5.08 -1.51 -1.96 114.58 120.72 1s6i h GLU 67 Ca -0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1s6i h GLU 67 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1s6i h GLU 67 CO 0.11 0.00 -0.26 0.35 -1.00 0.00 0.00 179.01 178.21 1s6i h PHE 68 N 0.00 -0.66 -0.44 4.33 3.57 -0.64 -1.92 116.94 121.18 1s6i h PHE 68 Ca 0.44 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.01 1s6i h PHE 68 Cb 1.86 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 40.75 1s6i h PHE 68 CO 0.00 -0.41 0.03 0.82 -2.23 0.00 0.00 178.31 176.52 1s6i h ILE 69 N -0.93 0.69 -0.90 1.41 1.08 -1.01 -1.40 117.51 116.46 1s6i h ILE 69 Ca -0.07 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.38 1s6i h ILE 69 Cb 0.55 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 1s6i h ILE 69 CO 0.12 0.03 0.58 0.00 -0.69 0.00 0.00 178.15 178.19 1s6i h ALA 70 N 1.37 1.20 0.45 1.87 0.00 -1.46 -1.16 119.26 121.53 1s6i h ALA 70 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1s6i h ALA 70 Cb 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1s6i h ALA 70 CO -0.34 0.42 -0.30 0.00 0.00 0.00 0.00 179.25 179.03 1s6i h ALA 71 N 1.38 -0.73 0.55 0.00 0.00 -0.44 -0.40 119.26 119.61 1s6i h ALA 71 Ca 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1s6i h ALA 71 Cb 0.03 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1s6i h ALA 71 CO -0.13 -0.93 -0.30 1.79 0.00 0.00 0.00 179.25 179.68 1s6i h THR 72 N -0.73 0.38 -0.07 0.00 1.35 -1.16 -2.16 112.91 110.52 1s6i h THR 72 Ca -0.05 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1s6i h THR 72 Cb 0.61 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 1s6i h THR 72 CO 0.03 0.00 0.17 0.58 -0.25 0.00 0.00 175.52 176.05 1s6i h VAL 73 N -0.79 0.19 0.17 6.82 2.07 -1.21 0.32 116.25 123.80 1s6i h VAL 73 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1s6i h VAL 73 Cb 0.63 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1s6i h VAL 73 CO 0.09 0.00 -0.08 -0.74 0.02 0.00 0.00 177.57 176.86 1s6i h HIS 74 N 0.00 -0.21 0.00 1.57 6.17 -0.42 -2.49 115.15 119.78 1s6i h HIS 74 Ca 0.03 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1s6i h HIS 74 Cb 0.37 0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.37 1s6i h HIS 74 CO 0.00 0.16 0.00 1.28 0.71 0.00 0.00 177.93 180.08 1s6i n LEU 75 N -5.01 0.00 -4.38 0.26 4.77 -0.40 -4.26 117.00 107.98 1s6i n LEU 75 Ca -0.09 0.47 -0.44 0.00 -0.03 0.00 0.00 56.01 55.93 1s6i n LEU 75 Cb 0.24 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1s6i n LEU 75 CO 0.31 -0.13 1.36 -3.20 -1.33 0.00 0.00 177.39 174.40 1s6i n ASN 76 N -1.47 5.29 0.00 -1.43 5.15 0.97 -4.00 115.26 119.77 1s6i n ASN 76 Ca 0.06 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.03 1s6i n ASN 76 Cb 0.24 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.97 1s6i n ASN 76 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1s6i n LYS 77 N 4.89 0.00 0.00 1.20 2.85 -1.26 -4.84 118.16 121.00 1s6i n LYS 77 Ca 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1s6i n LYS 77 Cb 0.41 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 1s6i n LYS 77 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1s6i n LEU 78 N -0.15 0.00 -3.65 -5.58 4.77 -1.26 -5.14 117.00 105.99 1s6i n LEU 78 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1s6i n LEU 78 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1s6i n LEU 78 CO 0.00 0.00 0.99 -0.70 -1.33 0.00 0.00 177.39 176.35 1s6i s GLU 79 N 0.00 0.20 -0.12 3.23 2.56 -1.26 -5.16 118.70 118.15 1s6i s GLU 79 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.23 1s6i s GLU 79 Cb 0.00 0.09 -0.02 0.00 2.00 0.00 0.00 34.13 36.20 1s6i s GLU 79 CO 0.00 -0.03 -0.13 -0.98 -0.56 0.00 0.00 175.26 173.56 1s6i s ARG 80 N 0.34 3.30 0.00 4.30 1.04 -1.26 -4.93 118.95 121.74 1s6i s ARG 80 Ca 0.03 -0.69 0.00 0.00 -1.04 0.00 0.00 55.73 54.03 1s6i s ARG 80 Cb -0.04 -2.60 0.00 0.00 -2.04 0.00 0.00 34.95 30.26 1s6i s ARG 80 CO -0.12 0.25 0.22 0.39 -0.04 0.00 0.00 175.30 176.00 1s6i n GLU 81 N 3.41 0.00 -1.63 3.89 1.02 -1.26 -5.06 120.64 121.01 1s6i n GLU 81 Ca -0.18 -0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 56.51 1s6i n GLU 81 Cb 0.53 -0.23 -0.05 0.00 -0.02 0.00 0.00 31.44 31.66 1s6i n GLU 81 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1s6i s GLU 82 N 0.00 1.89 0.00 3.49 0.41 -1.26 -4.77 118.70 118.45 1s6i s GLU 82 Ca 0.00 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 1s6i s GLU 82 Cb 0.00 -4.73 0.00 0.00 -1.78 0.00 0.00 34.13 27.62 1s6i s GLU 82 CO 0.00 -3.91 0.00 0.09 -0.49 0.00 0.00 175.26 170.95 1s6i n ASN 83 N 17.12 0.00 0.04 -0.19 5.03 -1.26 -4.50 115.26 131.51 1s6i n ASN 83 Ca 0.42 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.73 1s6i n ASN 83 Cb 0.48 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.21 1s6i n ASN 83 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1s6i h LEU 84 N 0.00 0.63 -2.44 3.41 6.46 -2.02 -3.06 115.31 118.30 1s6i h LEU 84 Ca 0.00 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 1s6i h LEU 84 Cb 0.00 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 1s6i h LEU 84 CO 0.00 1.23 0.14 1.62 -0.62 0.00 0.00 178.44 180.81 1s6i h VAL 85 N 0.33 0.00 -0.60 1.05 3.04 -1.92 -3.10 116.25 115.04 1s6i h VAL 85 Ca -0.06 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.69 1s6i h VAL 85 Cb 1.45 0.81 -0.08 0.00 -2.01 0.00 0.00 31.29 31.46 1s6i h VAL 85 CO 0.15 0.00 -0.43 -1.28 -1.01 0.00 0.00 177.57 175.01 1s6i h SER 86 N 0.00 -1.53 0.17 3.17 0.87 -1.76 -0.45 113.55 114.02 1s6i h SER 86 Ca 0.00 0.22 -0.19 0.00 -1.23 0.00 0.00 61.79 60.59 1s6i h SER 86 Cb 0.28 0.66 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1s6i h SER 86 CO 0.00 -0.21 -0.74 0.00 -0.53 0.00 0.00 176.83 175.36 1s6i h ALA 87 N -0.04 0.54 -0.82 6.23 0.00 -1.79 -2.95 119.26 120.43 1s6i h ALA 87 Ca 0.10 -0.60 0.24 0.00 0.00 0.00 0.00 54.91 54.64 1s6i h ALA 87 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1s6i h ALA 87 CO -0.62 0.74 0.89 0.35 0.00 0.00 0.00 179.25 180.62 1s6i h PHE 88 N 0.34 0.00 0.09 0.00 3.57 -1.20 1.78 116.94 121.52 1s6i h PHE 88 Ca -0.03 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.15 1s6i h PHE 88 Cb 1.32 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 1s6i h PHE 88 CO 0.05 0.00 -1.71 1.03 -2.23 0.00 0.00 178.31 175.46 1s6i h SER 89 N 0.00 0.29 0.00 0.41 0.87 -0.97 -3.26 113.55 110.89 1s6i h SER 89 Ca 0.39 -0.80 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1s6i h SER 89 Cb 2.17 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 64.04 1s6i h SER 89 CO -0.00 1.72 -0.20 0.22 -0.53 0.00 0.00 176.83 178.04 1s6i h TYR 90 N -0.31 0.00 0.64 2.24 3.20 0.44 -3.27 116.97 119.91 1s6i h TYR 90 Ca -0.39 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.46 1s6i h TYR 90 Cb 1.78 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.04 1s6i h TYR 90 CO 0.09 0.00 -0.51 0.74 -1.64 0.00 0.00 178.16 176.84 1s6i h PHE 91 N -0.56 -1.39 0.00 -3.82 -1.00 0.21 -1.77 116.94 108.61 1s6i h PHE 91 Ca 0.00 -0.00 -0.43 0.00 2.81 0.00 0.00 57.97 60.35 1s6i h PHE 91 Cb 0.20 0.52 -0.01 0.00 3.61 0.00 0.00 35.95 40.26 1s6i h PHE 91 CO -0.08 -0.71 1.94 -0.25 -1.61 0.00 0.00 178.31 177.60 1s6i n ASP 92 N -5.60 6.79 -0.32 2.17 8.00 -0.23 -4.62 116.55 122.74 1s6i n ASP 92 Ca -0.13 -2.48 0.10 0.00 0.71 0.00 0.00 54.79 52.98 1s6i n ASP 92 Cb 0.49 -1.42 0.27 0.00 -0.02 0.00 0.00 41.12 40.44 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 4.32 0.62 0.00 -1.24 3.64 -1.37 1.08 116.57 123.63 1s6i h LYS 93 Ca 0.54 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1s6i h LYS 93 Cb 0.77 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1s6i h LYS 93 CO 1.09 0.41 -0.02 0.22 -2.27 0.00 0.00 179.45 178.88 1s6i h ASP 94 N 0.64 0.00 -6.60 4.20 1.82 -1.86 -3.47 116.42 111.15 1s6i h ASP 94 Ca 0.52 0.00 -0.47 0.00 -0.39 0.00 0.00 57.03 56.69 1s6i h ASP 94 Cb 0.81 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.83 1s6i h ASP 94 CO -0.40 0.02 -0.95 0.61 -1.61 0.00 0.00 179.24 176.92 1s6i n GLY 95 N -0.27 -1.10 0.01 -0.78 0.00 0.37 -4.85 105.19 98.56 1s6i n GLY 95 Ca -0.00 0.48 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 1s6i n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6i n SER 96 N -2.41 4.44 0.00 1.61 3.41 -1.26 -5.03 113.62 114.39 1s6i n SER 96 Ca -0.19 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1s6i n SER 96 Cb 0.62 0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 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 3.13 2.98 3.78 5.00 0.00 -1.26 -5.03 105.19 113.79 1s6i n GLY 97 Ca -0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 1s6i n GLY 97 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s6i s TYR 98 N 0.00 2.79 -0.27 1.61 -0.85 -1.26 0.21 117.35 119.58 1s6i s TYR 98 Ca 0.00 -0.34 -0.01 0.00 -0.52 0.00 0.00 57.07 56.19 1s6i s TYR 98 Cb 0.00 -1.69 0.09 0.00 0.38 0.00 0.00 41.96 40.74 1s6i s TYR 98 CO 0.00 0.29 0.07 0.42 -1.52 0.00 0.00 175.55 174.81 1s6i s ILE 99 N -2.37 0.78 0.43 -3.49 1.01 0.62 -4.75 121.20 113.43 1s6i s ILE 99 Ca 0.39 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 1s6i s ILE 99 Cb -0.04 -1.47 -0.08 0.00 0.01 0.00 0.00 42.46 40.88 1s6i s ILE 99 CO 0.24 -0.51 1.11 0.42 0.00 0.00 0.00 174.94 176.21 1s6i s THR 100 N 1.69 3.38 0.37 2.92 -4.23 -1.26 -0.21 115.64 118.30 1s6i s THR 100 Ca 0.06 1.05 0.31 0.00 -1.18 0.00 0.00 61.69 61.93 1s6i s THR 100 Cb -0.17 -3.54 0.46 0.00 1.34 0.00 0.00 72.50 70.59 1s6i s THR 100 CO -0.20 0.00 1.15 0.00 -0.54 0.00 0.00 174.62 175.04 1s6i n LEU 101 N -0.27 0.08 0.19 4.79 -0.00 -0.62 0.10 117.00 121.27 1s6i n LEU 101 Ca 0.06 0.87 -0.15 0.00 -0.00 0.00 0.00 56.01 56.80 1s6i n LEU 101 Cb 0.49 -0.43 -0.07 0.00 -0.00 0.00 0.00 43.42 43.40 1s6i n LEU 101 CO 0.47 -0.92 0.63 -0.78 -0.00 0.00 0.00 177.39 176.79 1s6i h ASP 102 N 0.00 -0.96 0.35 1.45 3.58 -1.88 0.41 116.42 119.37 1s6i h ASP 102 Ca 0.67 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 58.16 1s6i h ASP 102 Cb 2.46 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 43.84 1s6i h ASP 102 CO -0.17 -0.47 -0.25 -0.33 -2.88 0.00 0.00 179.24 175.14 1s6i h GLU 103 N -0.68 0.00 0.25 0.28 5.08 0.38 -2.58 114.58 117.31 1s6i h GLU 103 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1s6i h GLU 103 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1s6i h GLU 103 CO -0.11 0.25 -0.12 0.82 -1.00 0.00 0.00 179.01 178.86 1s6i h ILE 104 N 0.00 0.00 -0.40 3.13 2.04 -0.54 -2.22 117.51 119.52 1s6i h ILE 104 Ca -0.00 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.72 1s6i h ILE 104 Cb 0.50 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.49 1s6i h ILE 104 CO 0.03 0.00 -0.20 1.56 0.00 0.00 0.00 178.15 179.54 1s6i h GLN 105 N -0.55 -0.12 0.00 2.37 1.08 -0.28 0.25 115.11 117.86 1s6i h GLN 105 Ca -0.03 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1s6i h GLN 105 Cb 0.25 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1s6i h GLN 105 CO 0.06 -0.08 -0.11 1.96 -0.95 0.00 0.00 178.83 179.71 1s6i h GLN 106 N -0.13 0.00 -0.00 1.46 4.20 -1.59 -1.72 115.11 117.33 1s6i h GLN 106 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1s6i h GLN 106 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1s6i h GLN 106 CO -0.48 0.11 -0.02 0.00 -0.67 0.00 0.00 178.83 177.77 1s6i n ALA 107 N -2.28 2.48 -3.32 3.87 0.00 0.04 -4.12 120.51 117.18 1s6i n ALA 107 Ca -0.02 -0.14 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 1s6i n ALA 107 Cb 0.22 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 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 3.97 0.09 -0.00 0.00 1.79 -1.73 -3.09 116.57 117.60 1s6i h LYS 109 Ca 0.17 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1s6i h LYS 109 Cb 0.69 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1s6i h LYS 109 CO 0.77 0.92 -0.08 -0.25 -1.08 0.00 0.00 179.45 179.72 1s6i n ASP 110 N -3.31 0.33 -1.26 0.86 8.00 -1.26 -3.26 116.55 116.64 1s6i n ASP 110 Ca -0.10 -0.47 0.06 0.00 0.71 0.00 0.00 54.79 54.99 1s6i n ASP 110 Cb 1.01 -0.13 0.26 0.00 -0.02 0.00 0.00 41.12 42.24 1s6i n ASP 110 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1s6i n PHE 111 N -1.05 1.15 -2.56 1.24 3.01 -1.23 -4.87 117.46 113.15 1s6i n PHE 111 Ca 0.15 -0.43 -0.06 0.00 1.01 0.00 0.00 57.45 58.12 1s6i n PHE 111 Cb 0.26 -0.24 0.01 0.00 -0.01 0.00 0.00 39.48 39.50 1s6i n PHE 111 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s6i n GLY 112 N 0.75 0.45 2.33 1.37 0.00 -1.20 -4.81 105.19 104.08 1s6i n GLY 112 Ca 0.18 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1s6i n GLY 112 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6i n LEU 113 N -1.34 0.54 0.00 0.99 -0.00 -1.17 -4.74 117.00 111.28 1s6i n LEU 113 Ca -0.02 0.49 -0.05 0.00 -0.00 0.00 0.00 56.01 56.43 1s6i n LEU 113 Cb 0.53 -0.65 0.02 0.00 -0.00 0.00 0.00 43.42 43.32 1s6i n LEU 113 CO 0.13 -0.55 0.33 -0.90 -0.00 0.00 0.00 177.39 176.40 1s6i n ASP 114 N 5.38 -1.41 -0.05 1.96 5.75 -1.26 -5.03 116.55 121.89 1s6i n ASP 114 Ca 0.39 -1.97 0.12 0.00 -0.01 0.00 0.00 54.79 53.33 1s6i n ASP 114 Cb -0.03 2.35 0.30 0.00 -1.03 0.00 0.00 41.12 42.71 1s6i n ASP 114 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1s6i n ASP 115 N -1.32 0.57 -0.03 -1.12 5.68 -1.26 -2.74 116.55 116.33 1s6i n ASP 115 Ca -0.05 -0.34 -0.00 0.00 -0.50 0.00 0.00 54.79 53.89 1s6i n ASP 115 Cb 0.36 0.19 -0.00 0.00 -1.14 0.00 0.00 41.12 40.53 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1s6i h ILE 116 N 0.24 0.00 0.00 2.12 2.04 -1.96 -3.40 117.51 116.54 1s6i h ILE 116 Ca 0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1s6i h ILE 116 Cb 0.50 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1s6i h ILE 116 CO 0.00 0.00 -0.06 1.41 0.00 0.00 0.00 178.15 179.50 1s6i n HIS 117 N -3.51 0.09 -0.45 1.37 8.25 -1.26 -3.94 115.22 115.77 1s6i n HIS 117 Ca -0.01 0.04 0.39 0.00 -0.26 0.00 0.00 57.72 57.88 1s6i n HIS 117 Cb 0.03 -0.27 0.66 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.11 0.03 0.11 1.59 1.08 -1.85 0.19 117.51 118.54 1s6i h ILE 118 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1s6i h ILE 118 Cb 0.06 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.82 1s6i h ILE 118 CO 0.00 0.00 -0.05 0.44 -0.69 0.00 0.00 178.15 177.85 1s6i h ASP 119 N 0.02 -0.12 -0.09 1.72 5.19 -1.72 -2.84 116.42 118.58 1s6i h ASP 119 Ca 0.87 -0.42 0.03 0.00 -0.62 0.00 0.00 57.03 56.88 1s6i h ASP 119 Cb 2.71 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 42.25 1s6i h ASP 119 CO -0.50 0.40 0.14 0.44 -3.12 0.00 0.00 179.24 176.61 1s6i h ASP 120 N -0.70 0.00 -0.32 6.45 3.32 -0.88 0.21 116.42 124.49 1s6i h ASP 120 Ca -0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1s6i h ASP 120 Cb 0.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1s6i h ASP 120 CO 0.02 0.00 -0.05 -0.03 -1.72 0.00 0.00 179.24 177.47 1s6i h MET 121 N 0.00 0.70 -0.50 3.56 1.85 -0.59 1.37 114.93 121.32 1s6i h MET 121 Ca 0.04 -0.20 0.05 0.00 -0.61 0.00 0.00 59.70 58.98 1s6i h MET 121 Cb 0.32 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.23 1s6i h MET 121 CO -0.00 0.75 0.25 0.82 -0.40 0.00 0.00 176.91 178.32 1s6i h ILE 122 N 0.65 0.94 0.00 1.77 2.04 -0.39 0.87 117.51 123.39 1s6i h ILE 122 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1s6i h ILE 122 Cb 0.47 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1s6i h ILE 122 CO 0.02 0.09 -0.24 0.29 0.00 0.00 0.00 178.15 178.32 1s6i n LYS 123 N -4.90 0.18 0.12 2.37 4.76 -0.90 -2.51 118.16 117.28 1s6i n LYS 123 Ca 0.04 0.11 0.12 0.00 -2.87 0.00 0.00 58.31 55.71 1s6i n LYS 123 Cb 0.14 -1.67 0.06 0.00 -1.84 0.00 0.00 35.03 31.72 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 4.81 0.52 -3.40 114.58 118.48 1s6i h GLU 124 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1s6i h GLU 124 Cb 0.66 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1s6i h GLU 124 CO 0.00 0.00 -1.90 -0.89 -0.73 0.00 0.00 179.01 175.49 1s6i n ILE 125 N -2.67 0.97 -1.52 2.32 5.41 0.27 -4.92 119.36 119.23 1s6i n ILE 125 Ca 0.01 -0.22 -0.39 0.00 1.00 0.00 0.00 62.75 63.15 1s6i n ILE 125 Cb 0.53 -1.75 -0.11 0.00 -0.71 0.00 0.00 39.64 37.60 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1s6i n ASP 126 N -3.79 0.98 -0.00 4.38 5.75 -1.04 -4.73 116.55 118.09 1s6i n ASP 126 Ca -0.33 -0.05 0.13 0.00 -0.01 0.00 0.00 54.79 54.53 1s6i n ASP 126 Cb 0.72 -1.15 0.35 0.00 -1.03 0.00 0.00 41.12 40.02 1s6i n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s6i n GLN 127 N 8.66 0.01 -0.02 0.11 3.00 -1.26 -4.39 117.38 123.50 1s6i n GLN 127 Ca 0.56 -0.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.53 1s6i n GLN 127 Cb 0.21 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.92 1s6i n GLN 127 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1s6i n ASP 128 N -1.49 4.08 0.00 1.08 5.68 -1.26 -4.95 116.55 119.69 1s6i n ASP 128 Ca 0.06 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1s6i n ASP 128 Cb 0.34 0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1s6i n ASN 129 N -2.27 0.00 -0.65 -1.12 2.04 -1.26 -4.38 115.26 107.63 1s6i n ASN 129 Ca -0.05 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.09 1s6i n ASN 129 Cb 0.59 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 1s6i n ASN 129 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1s6i n ASP 130 N -0.44 0.36 -3.54 0.53 8.00 -1.26 -4.74 116.55 115.45 1s6i n ASP 130 Ca 0.00 -0.45 -0.26 0.00 0.71 0.00 0.00 54.79 54.79 1s6i n ASP 130 Cb 0.00 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.03 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 0.53 -0.52 3.33 0.44 0.00 -1.26 -4.43 105.19 103.29 1s6i n GLY 131 Ca 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.24 1.38 -0.18 1.61 -2.07 -1.26 -1.59 119.66 111.32 1s6i s GLN 132 Ca 0.53 -1.72 0.00 0.00 -1.82 0.00 0.00 55.36 52.35 1s6i s GLN 132 Cb -0.25 -0.52 0.04 0.00 -1.09 0.00 0.00 33.01 31.19 1s6i s GLN 132 CO 0.65 -0.17 -0.10 0.42 -1.32 0.00 0.00 175.29 174.77 1s6i s ILE 133 N -3.52 1.48 0.28 3.63 1.01 0.71 -3.99 121.20 120.79 1s6i s ILE 133 Ca 0.32 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1s6i s ILE 133 Cb 0.07 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1s6i s ILE 133 CO 0.11 0.23 0.26 -0.62 0.00 0.00 0.00 174.94 174.92 1s6i s ASP 134 N 1.48 5.59 0.51 3.58 2.15 -1.26 0.23 116.67 128.95 1s6i s ASP 134 Ca 0.01 -0.28 0.42 0.00 0.43 0.00 0.00 52.55 53.13 1s6i s ASP 134 Cb -0.15 -1.33 1.63 0.00 -0.30 0.00 0.00 42.92 42.77 1s6i s ASP 134 CO -0.09 -0.16 1.58 0.22 -0.17 0.00 0.00 175.17 176.56 1s6i h TYR 135 N 1.34 0.24 0.20 -5.34 3.20 0.20 1.76 116.97 118.57 1s6i h TYR 135 Ca -0.48 0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.10 1s6i h TYR 135 Cb 1.24 -0.05 0.02 0.00 1.54 0.00 0.00 36.73 39.48 1s6i h TYR 135 CO 0.53 -0.13 -1.41 0.78 -1.64 0.00 0.00 178.16 176.28 1s6i h GLY 136 N 0.01 0.48 0.89 1.82 0.00 -1.86 -3.11 103.07 101.29 1s6i h GLY 136 Ca 0.91 -1.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1s6i h GLY 136 CO -0.22 1.08 -0.14 0.83 0.00 0.00 0.00 176.54 178.08 1s6i h GLU 137 N -0.03 -0.38 -0.81 4.80 5.08 0.20 -2.03 114.58 121.41 1s6i h GLU 137 Ca -0.26 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.34 1s6i h GLU 137 Cb 2.00 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 31.29 1s6i h GLU 137 CO 0.20 -0.17 0.57 0.35 -1.00 0.00 0.00 179.01 178.95 1s6i h PHE 138 N -0.52 0.19 0.00 4.33 3.57 0.19 0.83 116.94 125.53 1s6i h PHE 138 Ca -0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1s6i h PHE 138 Cb 0.38 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1s6i h PHE 138 CO -0.02 0.05 -0.16 0.00 -2.23 0.00 0.00 178.31 175.95 1s6i h ALA 139 N 1.61 1.12 0.00 2.41 0.00 -1.30 -2.82 119.26 120.29 1s6i h ALA 139 Ca 0.40 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1s6i h ALA 139 Cb 1.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1s6i h ALA 139 CO -0.06 0.20 -0.94 0.00 0.00 0.00 0.00 179.25 178.45 1s6i h ALA 140 N 1.84 0.17 -0.22 0.00 0.00 0.95 -2.51 119.26 119.49 1s6i h ALA 140 Ca -0.00 -0.94 0.06 0.00 0.00 0.00 0.00 54.91 54.03 1s6i h ALA 140 Cb 0.54 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1s6i h ALA 140 CO 0.02 0.58 0.48 0.00 0.00 0.00 0.00 179.25 180.34 1s6i h MET 141 N -1.00 0.00 0.00 0.00 3.00 -1.16 -2.77 114.93 113.00 1s6i h MET 141 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.48 1s6i h MET 141 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.63 1s6i h MET 141 CO -0.14 0.00 -0.13 -0.12 0.00 0.00 0.00 176.91 176.52 1s6i n MET 142 N -3.20 0.09 0.00 -0.10 0.00 -1.07 -5.01 117.12 107.84 1s6i n MET 142 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 57.70 57.96 1s6i n MET 142 Cb 0.59 -0.86 0.00 0.00 0.00 0.00 0.00 33.22 32.95 1s6i n MET 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1s6i n ARG 143 N -2.77 3.52 -2.70 2.12 0.00 -0.94 -5.06 116.66 110.83 1s6i n ARG 143 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.77 1s6i n ARG 143 Cb 0.07 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.60 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 1.26 -1.30 -0.14 5.02 -1.26 -4.72 118.16 117.01 1s6i n LYS 144 Ca 0.00 -2.61 -0.25 0.00 -2.02 0.00 0.00 58.31 53.43 1s6i n LYS 144 Cb 0.00 -0.73 -0.09 0.00 -0.02 0.00 0.00 35.03 34.19 1s6i n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s6i n ARG 145 N -0.45 2.81 0.00 1.97 1.74 -1.26 -4.78 116.66 116.68 1s6i n ARG 145 Ca 0.02 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.22 1s6i n ARG 145 Cb 0.83 -2.30 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 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 2.30 0.00 0.00 5.56 5.02 -1.26 -3.69 118.16 126.08 1s6i n LYS 146 Ca 0.55 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.98 1s6i n LYS 146 Cb 0.60 -0.32 0.59 0.00 -0.02 0.00 0.00 35.03 35.87 1s6i n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s6i n GLY 147 N 0.00 -0.93 3.45 0.72 0.00 -1.26 -4.53 105.19 102.64 1s6i n GLY 147 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1s6i n GLY 147 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s6i n ASN 148 N -0.95 -1.59 0.00 1.61 3.02 -1.26 -4.82 115.26 111.27 1s6i n ASN 148 Ca 0.14 0.41 0.03 0.00 -0.03 0.00 0.00 54.58 55.14 1s6i n ASN 148 Cb 0.28 -1.24 0.15 0.00 -0.61 0.00 0.00 39.78 38.37 1s6i n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s6i n GLY 149 N 1.43 -0.69 0.52 7.41 0.00 -1.26 -1.51 105.19 111.10 1s6i n GLY 149 Ca 0.08 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1s6i n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6i n GLY 150 N -0.76 0.05 0.00 -0.02 0.00 -1.26 -4.75 105.19 98.45 1s6i n GLY 150 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1s6i n GLY 150 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1s6i n ILE 151 N 0.12 0.00 0.00 -0.61 3.06 -0.57 -4.76 119.36 116.60 1s6i n ILE 151 Ca 0.13 0.51 0.00 0.00 -2.50 0.00 0.00 62.75 60.89 1s6i n ILE 151 Cb 0.44 -0.84 0.00 0.00 0.54 0.00 0.00 39.64 39.78 1s6i n ILE 151 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6i n GLY 152 N -0.44 1.81 3.52 4.50 0.00 -1.26 -4.74 105.19 108.57 1s6i n GLY 152 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.21 -4.20 1.61 1.85 -1.26 -4.72 116.66 110.14 1s6i n ARG 153 Ca 0.00 -1.25 -0.18 0.00 -1.00 0.00 0.00 57.85 55.41 1s6i n ARG 153 Cb 0.00 -3.51 -0.12 0.00 -1.05 0.00 0.00 32.46 27.78 1s6i n ARG 153 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1s6i s ARG 154 N 8.30 0.83 0.22 2.89 0.52 -1.26 -4.43 118.95 126.02 1s6i s ARG 154 Ca 0.80 -0.91 -0.08 0.00 -0.52 0.00 0.00 55.73 55.02 1s6i s ARG 154 Cb -0.10 -0.83 0.28 0.00 0.52 0.00 0.00 34.95 34.82 1s6i s ARG 154 CO 0.16 0.19 1.80 1.15 0.02 0.00 0.00 175.30 178.61 1s6i h THR 155 N 4.34 0.92 -2.27 0.02 2.02 -1.89 -3.27 112.91 112.79 1s6i h THR 155 Ca -0.40 -0.22 -0.58 0.00 0.77 0.00 0.00 66.41 65.97 1s6i h THR 155 Cb 1.19 0.21 -0.40 0.00 -1.74 0.00 0.00 68.15 67.41 1s6i h THR 155 CO 0.41 0.12 -0.89 1.15 0.37 0.00 0.00 175.52 176.68 1s6i n MET 156 N -4.82 1.15 -1.11 6.66 -0.00 -1.26 -5.07 117.12 112.67 1s6i n MET 156 Ca 0.10 -3.71 -0.36 0.00 -0.00 0.00 0.00 57.70 53.73 1s6i n MET 156 Cb 0.22 -1.70 0.07 0.00 -0.00 0.00 0.00 33.22 31.81 1s6i n MET 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1s6i n ARG 157 N 1.68 0.08 -3.51 3.17 1.74 -1.24 -5.03 116.66 113.55 1s6i n ARG 157 Ca 0.25 0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 57.24 1s6i n ARG 157 Cb 0.47 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 30.26 1s6i n ARG 157 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1s6i s LYS 158 N -2.63 1.01 0.55 5.56 2.20 -1.26 -5.11 119.74 120.06 1s6i s LYS 158 Ca 0.58 0.08 0.04 0.00 -0.36 0.00 0.00 55.97 56.31 1s6i s LYS 158 Cb -0.31 0.47 0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1s6i s LYS 158 CO 0.65 -0.35 0.32 0.25 -0.36 0.00 0.00 175.35 175.87 1s6i n THR 159 N 0.59 0.00 -3.15 3.43 -2.24 -1.26 -5.09 114.28 106.56 1s6i n THR 159 Ca -0.17 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.34 1s6i n THR 159 Cb 0.59 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1s6i n THR 159 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1s6i n LEU 160 N 0.00 0.00 -3.89 3.22 4.32 -1.26 -5.14 117.00 114.25 1s6i n LEU 160 Ca -0.07 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.68 1s6i n LEU 160 Cb 0.64 0.00 -0.17 0.00 -1.62 0.00 0.00 43.42 42.27 1s6i n LEU 160 CO 0.37 -0.13 -0.43 0.21 -1.22 0.00 0.00 177.39 176.19 1s6i s ASN 161 N -0.54 1.82 -0.05 -1.43 2.47 -1.26 -4.99 114.94 110.96 1s6i s ASN 161 Ca 0.00 -0.23 0.08 0.00 0.42 0.00 0.00 52.86 53.13 1s6i s ASN 161 Cb 0.00 -0.69 0.13 0.00 -1.45 0.00 0.00 41.25 39.24 1s6i s ASN 161 CO 0.00 -0.11 1.06 0.00 -3.72 0.00 0.00 177.10 174.34 1s6i n LEU 162 N 4.72 0.93 0.18 3.21 -0.00 -1.26 -4.89 117.00 119.90 1s6i n LEU 162 Ca -0.14 -1.84 -0.07 0.00 -0.00 0.00 0.00 56.01 53.95 1s6i n LEU 162 Cb 0.50 -0.16 -0.04 0.00 -0.00 0.00 0.00 43.42 43.72 1s6i n LEU 162 CO 0.17 0.45 0.37 -0.09 -0.00 0.00 0.00 177.39 178.29 1s6i h ARG 163 N 0.06 -0.46 -7.00 1.47 9.65 -2.08 -3.44 114.38 112.57 1s6i h ARG 163 Ca -0.01 0.03 -0.53 0.00 -1.10 0.00 0.00 59.98 58.38 1s6i h ARG 163 Cb 1.27 0.11 0.10 0.00 -1.39 0.00 0.00 29.97 30.05 1s6i h ARG 163 CO 0.00 -0.31 0.57 -0.51 2.80 0.00 0.00 179.97 182.53 1s6i s ASP 164 N -3.37 5.90 0.21 -3.80 1.11 -1.26 -4.95 116.67 110.51 1s6i s ASP 164 Ca -0.07 2.59 -0.30 0.00 0.18 0.00 0.00 52.55 54.95 1s6i s ASP 164 Cb 0.01 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.28 1s6i s ASP 164 CO 0.21 -1.12 1.34 0.00 1.18 0.00 0.00 175.17 176.77 1s6i s ALA 165 N -1.36 3.55 -0.34 5.23 0.00 -1.26 -4.92 121.76 122.65 1s6i s ALA 165 Ca 0.64 1.15 0.21 0.00 0.00 0.00 0.00 51.96 53.96 1s6i s ALA 165 Cb -0.36 -3.50 0.22 0.00 0.00 0.00 0.00 23.12 19.48 1s6i s ALA 165 CO 0.44 -0.58 1.46 -0.07 0.00 0.00 0.00 175.76 177.01 1s6i h LEU 166 N 5.35 0.00 -2.00 0.00 3.38 -1.93 -3.50 115.31 116.61 1s6i h LEU 166 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1s6i h LEU 166 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1s6i h LEU 166 CO 0.78 0.12 -0.57 0.61 0.09 0.00 0.00 178.44 179.46 1s6i n GLY 167 N 1.15 -4.33 3.82 0.83 0.00 -1.26 -4.99 105.19 100.40 1s6i n GLY 167 Ca 0.02 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.31 4.20 -0.24 0.99 1.02 -1.26 -5.06 118.68 118.02 1s6i s LEU 168 Ca -0.03 1.50 -0.09 0.00 0.02 0.00 0.00 54.13 55.53 1s6i s LEU 168 Cb 0.00 -3.96 -0.04 0.00 0.02 0.00 0.00 46.19 42.21 1s6i s LEU 168 CO 0.08 -0.12 0.11 -0.69 0.02 0.00 0.00 176.35 175.76 1s6i s VAL 169 N -1.78 4.86 0.00 -1.59 1.01 -1.26 -5.02 120.40 116.62 1s6i s VAL 169 Ca 0.51 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1s6i s VAL 169 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1s6i s VAL 169 CO 0.19 0.34 0.00 0.47 0.00 0.00 0.00 175.10 176.11 1s6i n ASP 170 N 4.53 0.00 -2.44 3.32 9.92 -1.26 -4.74 116.55 125.88 1s6i n ASP 170 Ca -0.15 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.81 1s6i n ASP 170 Cb 0.52 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 41.02 1s6i n ASP 170 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1s6i n ASN 171 N -0.86 5.66 0.00 -2.24 2.85 -1.26 -5.01 115.26 114.40 1s6i n ASN 171 Ca 0.00 -3.76 0.00 0.00 -0.11 0.00 0.00 54.58 50.71 1s6i n ASN 171 Cb 0.00 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.41 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1s6i n GLY 172 N -0.60 -0.91 0.00 8.20 0.00 -1.26 -5.04 105.19 105.58 1s6i n GLY 172 Ca 0.46 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.28 0.00 -0.02 1.61 2.88 -1.26 -4.88 113.62 111.67 1s6i n SER 173 Ca 0.00 -0.33 -0.02 0.00 -1.33 0.00 0.00 58.87 57.19 1s6i n SER 173 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1s6i n SER 173 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s6i n ASN 174 N 0.00 4.03 -4.34 -3.46 3.02 -1.26 -4.96 115.26 108.29 1s6i n ASN 174 Ca 0.00 -0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 1s6i n ASN 174 Cb 0.08 0.60 -0.13 0.00 -0.61 0.00 0.00 39.78 39.72 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1s6i s GLN 175 N -2.09 3.06 0.28 3.52 -0.21 -1.26 -5.09 119.66 117.86 1s6i s GLN 175 Ca -0.02 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.19 1s6i s GLN 175 Cb 0.01 -3.37 -0.09 0.00 1.00 0.00 0.00 33.01 30.56 1s6i s GLN 175 CO 0.16 -0.46 1.01 0.54 -2.12 0.00 0.00 175.29 174.42 1s6i s VAL 176 N 1.49 3.83 -0.49 1.09 0.11 -1.26 -4.93 120.40 120.24 1s6i s VAL 176 Ca 0.02 1.78 -0.22 0.00 -2.93 0.00 0.00 61.98 60.63 1s6i s VAL 176 Cb -0.17 -4.10 0.04 0.00 -1.53 0.00 0.00 36.38 30.61 1s6i s VAL 176 CO 0.02 0.37 0.76 -0.63 -3.33 0.00 0.00 175.10 172.29 1s6i s ILE 177 N -1.26 4.67 -0.04 7.04 1.01 -1.26 -5.02 121.20 126.34 1s6i s ILE 177 Ca 0.45 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.16 1s6i s ILE 177 Cb -0.27 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 37.87 1s6i s ILE 177 CO 0.34 -0.83 -0.01 -1.61 0.00 0.00 0.00 174.94 172.83 1s6i s GLU 178 N 3.20 0.53 7.07 2.79 2.02 -1.26 -5.07 118.70 127.97 1s6i s GLU 178 Ca 0.24 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.26 1s6i s GLU 178 Cb -0.15 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.39 1s6i s GLU 178 CO 0.18 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.72 1s6i n GLY 179 N 4.33 2.06 0.00 -1.39 0.00 -1.26 -4.58 105.19 104.36 1s6i n GLY 179 Ca -0.21 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1s6i n GLY 179 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1s6i n TYR 180 N 13.05 0.00 -3.23 1.61 0.18 -1.26 -5.15 117.16 122.35 1s6i n TYR 180 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 1s6i n TYR 180 Cb 0.00 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.98 1s6i n TYR 180 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1s6i s PHE 181 N 0.00 3.10 0.00 -3.48 5.36 -1.26 -5.30 117.98 116.40 1s6i s PHE 181 Ca 0.00 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1s6i s PHE 181 Cb 0.00 -2.17 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 1s6i s PHE 181 CO 0.00 -0.21 0.00 1.63 -1.46 0.00 0.00 175.22 175.18