#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6i s GLU 2 N 0.00 2.40 0.11 0.00 -1.05 -1.26 -5.07 118.70 113.83 1s6i s GLU 2 Ca 0.00 -1.69 0.00 0.00 -0.15 0.00 0.00 54.97 53.13 1s6i s GLU 2 Cb 0.00 -2.22 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 1s6i s GLU 2 CO 0.00 -0.22 0.00 -2.13 0.95 0.00 0.00 175.26 173.86 1s6i n ARG 3 N -1.47 0.00 0.18 -4.83 0.63 -1.26 -5.07 116.66 104.83 1s6i n ARG 3 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1s6i n ARG 3 Cb 0.63 -0.30 0.00 0.00 0.45 0.00 0.00 32.46 33.24 1s6i n ARG 3 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1s6i n LEU 4 N -3.23 -2.87 -4.77 6.15 0.00 -1.26 -5.12 117.00 105.91 1s6i n LEU 4 Ca 0.00 0.67 -0.39 0.00 0.00 0.00 0.00 56.01 56.29 1s6i n LEU 4 Cb 0.12 2.78 -0.06 0.00 0.00 0.00 0.00 43.42 46.25 1s6i n LEU 4 CO 0.00 0.00 0.53 -0.94 0.00 0.00 0.00 177.39 176.98 1s6i s SER 5 N -2.49 7.44 0.82 1.96 1.04 -1.26 -5.04 113.70 116.16 1s6i s SER 5 Ca 0.00 1.72 -0.12 0.00 0.48 0.00 0.00 55.95 58.04 1s6i s SER 5 Cb 0.00 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.68 1s6i s SER 5 CO 0.00 0.18 1.15 -0.70 0.98 0.00 0.00 173.24 174.84 1s6i s GLU 6 N -1.24 1.72 -0.10 4.02 2.56 -1.26 -4.94 118.70 119.46 1s6i s GLU 6 Ca 0.38 1.51 -0.19 0.00 0.00 0.00 0.00 54.97 56.67 1s6i s GLU 6 Cb -0.23 -1.81 -0.16 0.00 2.00 0.00 0.00 34.13 33.93 1s6i s GLU 6 CO 0.27 -2.10 0.64 1.49 -0.56 0.00 0.00 175.26 175.00 1s6i h GLU 7 N -1.15 -0.07 -0.28 4.30 4.81 -1.97 -2.94 114.58 117.29 1s6i h GLU 7 Ca -0.45 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1s6i h GLU 7 Cb 1.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1s6i h GLU 7 CO 0.47 0.47 0.24 1.05 -0.73 0.00 0.00 179.01 180.52 1s6i h GLU 8 N -0.93 0.00 0.26 1.92 4.11 -1.94 -2.72 114.58 115.28 1s6i h GLU 8 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1s6i h GLU 8 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1s6i h GLU 8 CO 0.01 0.00 -0.13 0.82 0.07 0.00 0.00 179.01 179.79 1s6i h ILE 9 N 0.00 0.16 -3.59 -1.06 2.04 -1.96 -3.42 117.51 109.68 1s6i h ILE 9 Ca 0.13 -0.81 -0.67 0.00 1.00 0.00 0.00 64.86 64.51 1s6i h ILE 9 Cb 0.62 0.28 -0.26 0.00 -0.74 0.00 0.00 36.82 36.72 1s6i h ILE 9 CO -0.00 0.04 -0.63 -0.83 0.00 0.00 0.00 178.15 176.73 1s6i s GLY 10 N -3.16 1.76 0.00 5.37 0.00 -1.03 -4.64 107.32 105.63 1s6i s GLY 10 Ca -0.07 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1s6i s GLY 10 CO 0.22 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.54 1s6i n GLY 11 N 4.87 0.67 0.19 0.20 0.00 -1.25 -4.61 105.19 105.25 1s6i n GLY 11 Ca -0.15 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.00 0.99 5.85 -1.82 -2.30 115.31 118.03 1s6i h LEU 12 Ca 0.00 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1s6i h LEU 12 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1s6i h LEU 12 CO 0.00 0.00 -0.35 0.50 -0.34 0.00 0.00 178.44 178.26 1s6i h LYS 13 N 0.00 0.24 0.00 1.25 3.11 -1.97 0.34 116.57 119.54 1s6i h LYS 13 Ca 0.00 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.58 1s6i h LYS 13 Cb 0.95 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.25 1s6i h LYS 13 CO 0.00 0.97 0.00 1.49 -2.81 0.00 0.00 179.45 179.10 1s6i h GLU 14 N -0.38 0.00 0.19 1.90 4.81 -1.98 -2.13 114.58 117.00 1s6i h GLU 14 Ca -0.04 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.85 1s6i h GLU 14 Cb 1.09 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.48 1s6i h GLU 14 CO 0.07 0.00 -1.63 1.25 -0.73 0.00 0.00 179.01 177.97 1s6i h LEU 15 N 0.00 0.64 -0.77 1.64 7.12 -1.19 -0.98 115.31 121.77 1s6i h LEU 15 Ca 0.00 -0.85 0.05 0.00 0.13 0.00 0.00 57.88 57.21 1s6i h LEU 15 Cb 0.42 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.29 1s6i h LEU 15 CO 0.00 1.70 0.47 0.15 -0.13 0.00 0.00 178.44 180.63 1s6i h PHE 16 N 0.11 0.88 0.00 1.25 3.57 0.31 0.28 116.94 123.34 1s6i h PHE 16 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1s6i h PHE 16 Cb 2.10 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.56 1s6i h PHE 16 CO 0.10 0.47 -0.04 1.57 -2.23 0.00 0.00 178.31 178.18 1s6i h LYS 17 N 0.89 0.00 -0.21 1.11 2.10 -1.51 -2.84 116.57 116.10 1s6i h LYS 17 Ca 0.32 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.92 1s6i h LYS 17 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1s6i h LYS 17 CO -0.14 0.00 -0.10 1.98 -2.00 0.00 0.00 179.45 179.18 1s6i h MET 18 N 0.00 0.33 0.33 0.07 4.05 0.93 -1.56 114.93 119.08 1s6i h MET 18 Ca 0.00 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1s6i h MET 18 Cb 0.89 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1s6i h MET 18 CO 0.00 0.45 -0.16 0.82 0.23 0.00 0.00 176.91 178.25 1s6i h ILE 19 N 0.32 0.00 -0.78 1.77 1.08 -0.94 -3.32 117.51 115.63 1s6i h ILE 19 Ca 0.07 -0.44 -0.41 0.00 -0.39 0.00 0.00 64.86 63.68 1s6i h ILE 19 Cb 0.38 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.98 1s6i h ILE 19 CO 0.02 0.00 0.31 -0.90 -0.69 0.00 0.00 178.15 176.89 1s6i n ASP 20 N -4.43 6.32 0.23 1.72 5.68 -1.17 -3.49 116.55 121.42 1s6i n ASP 20 Ca -0.06 -3.08 0.15 0.00 -0.50 0.00 0.00 54.79 51.31 1s6i n ASP 20 Cb 0.18 -1.21 0.58 0.00 -1.14 0.00 0.00 41.12 39.53 1s6i n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s6i h THR 21 N 1.72 0.00 0.00 2.12 1.03 -1.39 -3.12 112.91 113.28 1s6i h THR 21 Ca 0.34 -0.48 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1s6i h THR 21 Cb 0.86 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 1s6i h THR 21 CO 0.76 0.00 -0.73 -0.90 -0.01 0.00 0.00 175.52 174.64 1s6i n ASP 22 N -2.84 0.81 0.00 0.00 5.75 -1.26 -4.85 116.55 114.16 1s6i n ASP 22 Ca 0.01 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1s6i n ASP 22 Cb 0.31 1.09 0.00 0.00 -1.03 0.00 0.00 41.12 41.49 1s6i n ASP 22 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1s6i n ASN 23 N -1.39 0.00 -0.02 -1.12 2.85 -1.18 -5.02 115.26 109.38 1s6i n ASN 23 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1s6i n ASN 23 Cb 0.21 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.23 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 -0.08 0.00 0.00 1.20 3.41 -1.25 -4.97 113.62 111.93 1s6i n SER 24 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 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 1.46 3.00 5.00 0.00 -1.23 -5.11 105.19 108.32 1s6i n GLY 25 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1s6i n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6i s THR 26 N -2.00 0.50 -0.45 2.61 -4.23 -1.26 -4.70 115.64 106.10 1s6i s THR 26 Ca 0.00 -0.55 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 1s6i s THR 26 Cb 0.00 -0.48 0.09 0.00 1.34 0.00 0.00 72.50 73.45 1s6i s THR 26 CO 0.00 -0.05 0.34 -0.63 -0.54 0.00 0.00 174.62 173.74 1s6i s ILE 27 N -0.58 4.67 0.24 2.99 1.01 0.51 -4.62 121.20 125.43 1s6i s ILE 27 Ca -0.02 -1.33 0.06 0.00 0.00 0.00 0.00 60.65 59.36 1s6i s ILE 27 Cb -0.05 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1s6i s ILE 27 CO 0.00 -0.59 0.29 0.42 0.00 0.00 0.00 174.94 175.05 1s6i s THR 28 N 1.51 4.91 0.35 2.92 -4.23 -1.25 0.20 115.64 120.04 1s6i s THR 28 Ca 0.04 -1.16 0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1s6i s THR 28 Cb -0.24 -3.66 0.42 0.00 1.34 0.00 0.00 72.50 70.36 1s6i s THR 28 CO 0.03 -0.33 1.13 0.33 -0.54 0.00 0.00 174.62 175.25 1s6i n PHE 29 N -1.27 0.35 -0.03 3.99 7.35 -1.01 0.13 117.46 126.96 1s6i n PHE 29 Ca -0.08 0.35 -0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1s6i n PHE 29 Cb 0.57 -0.74 -0.11 0.00 0.35 0.00 0.00 39.48 39.56 1s6i n PHE 29 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1s6i h ASP 30 N 0.00 -0.01 1.33 -2.13 3.32 -1.92 -3.24 116.42 113.77 1s6i h ASP 30 Ca 0.65 -0.65 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s6i h ASP 30 Cb 2.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.83 1s6i h ASP 30 CO -0.23 0.65 0.00 -0.62 -1.72 0.00 0.00 179.24 177.32 1s6i n GLU 31 N -4.78 0.25 -0.09 3.56 4.71 0.34 -2.38 120.64 122.25 1s6i n GLU 31 Ca -0.09 0.25 -0.06 0.00 -0.01 0.00 0.00 57.16 57.25 1s6i n GLU 31 Cb 0.33 -1.82 0.01 0.00 -1.01 0.00 0.00 31.44 28.95 1s6i n GLU 31 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1s6i h LEU 32 N 0.00 -0.07 0.02 -4.62 7.12 0.90 -2.28 115.31 116.38 1s6i h LEU 32 Ca 0.00 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 57.98 1s6i h LEU 32 Cb 0.67 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1s6i h LEU 32 CO 0.00 0.00 -0.47 0.07 -0.13 0.00 0.00 178.44 177.91 1s6i h LYS 33 N 0.13 0.04 -0.98 1.25 2.10 -1.64 -3.37 116.57 114.10 1s6i h LYS 33 Ca 0.15 -0.07 0.30 0.00 -2.00 0.00 0.00 60.65 59.03 1s6i h LYS 33 Cb 0.19 0.02 -0.18 0.00 -0.90 0.00 0.00 32.23 31.37 1s6i h LYS 33 CO -0.24 1.03 0.12 -0.25 -2.00 0.00 0.00 179.45 178.11 1s6i n ASP 34 N -4.48 -0.03 -0.10 7.07 8.00 -1.00 -0.81 116.55 125.20 1s6i n ASP 34 Ca -0.17 1.65 -0.06 0.00 0.71 0.00 0.00 54.79 56.92 1s6i n ASP 34 Cb 0.58 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1s6i n ASP 34 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1s6i h GLY 35 N 0.00 0.19 0.22 0.44 0.00 -1.44 0.48 103.07 102.97 1s6i h GLY 35 Ca 0.64 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 48.12 1s6i h GLY 35 CO -0.89 -0.15 -0.02 1.41 0.00 0.00 0.00 176.54 176.89 1s6i h LEU 36 N -0.05 -0.05 -1.44 3.11 3.38 -1.17 -2.36 115.31 116.72 1s6i h LEU 36 Ca 0.17 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1s6i h LEU 36 Cb 0.31 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1s6i h LEU 36 CO -0.38 0.66 0.16 0.07 0.09 0.00 0.00 178.44 179.04 1s6i h LYS 37 N -0.84 0.00 0.16 1.13 2.10 -1.27 0.30 116.57 118.14 1s6i h LYS 37 Ca -0.01 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.29 1s6i h LYS 37 Cb 0.67 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1s6i h LYS 37 CO 0.01 0.00 -1.83 -0.09 -2.00 0.00 0.00 179.45 175.54 1s6i h ARG 38 N 0.00 0.34 0.00 0.07 1.12 -0.83 -3.32 114.38 111.76 1s6i h ARG 38 Ca 0.00 -0.58 0.00 0.00 -1.11 0.00 0.00 59.98 58.29 1s6i h ARG 38 Cb 0.32 0.22 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1s6i h ARG 38 CO 0.00 1.26 0.00 1.55 -3.11 0.00 0.00 179.97 179.67 1s6i n VAL 39 N -3.54 0.89 0.00 0.20 3.14 0.93 -4.82 118.33 115.13 1s6i n VAL 39 Ca -0.27 0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1s6i n VAL 39 Cb 1.07 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 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 0.13 1.01 3.85 7.55 0.00 -0.73 -5.09 105.19 111.91 1s6i n GLY 40 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1s6i n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s6i s SER 41 N -1.40 6.21 -0.29 1.61 0.01 -0.46 -4.96 113.70 114.42 1s6i s SER 41 Ca 0.00 1.52 0.02 0.00 1.31 0.00 0.00 55.95 58.80 1s6i s SER 41 Cb 0.00 -2.49 0.08 0.00 0.21 0.00 0.00 66.02 63.82 1s6i s SER 41 CO 0.00 -0.88 0.01 -1.83 0.41 0.00 0.00 173.24 170.95 1s6i s GLU 42 N -4.73 1.51 0.36 12.44 -1.05 -1.26 -3.41 118.70 122.55 1s6i s GLU 42 Ca 0.57 -1.42 0.09 0.00 -0.15 0.00 0.00 54.97 54.06 1s6i s GLU 42 Cb -0.11 -2.79 -0.06 0.00 -0.44 0.00 0.00 34.13 30.73 1s6i s GLU 42 CO 0.46 -0.80 -0.01 -0.48 0.95 0.00 0.00 175.26 175.37 1s6i s LEU 43 N 1.18 2.88 0.22 1.83 0.05 -1.26 -5.07 118.68 118.51 1s6i s LEU 43 Ca 0.03 -1.13 0.11 0.00 0.05 0.00 0.00 54.13 53.19 1s6i s LEU 43 Cb -0.19 -1.16 -0.04 0.00 -2.05 0.00 0.00 46.19 42.75 1s6i s LEU 43 CO -0.10 -0.28 -0.18 0.00 -0.55 0.00 0.00 176.35 175.24 1s6i s MET 44 N -3.69 1.75 0.15 1.48 0.23 -1.26 -5.03 119.30 112.93 1s6i s MET 44 Ca 0.34 -1.51 -0.29 0.00 -1.03 0.00 0.00 55.69 53.21 1s6i s MET 44 Cb 0.03 -1.93 -0.03 0.00 -1.53 0.00 0.00 34.83 31.37 1s6i s MET 44 CO 0.18 0.39 1.56 1.49 -2.03 0.00 0.00 175.02 176.61 1s6i h GLU 45 N 2.81 -0.25 -0.61 3.16 4.81 -2.01 0.12 114.58 122.61 1s6i h GLU 45 Ca -0.45 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1s6i h GLU 45 Cb 1.22 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1s6i h GLU 45 CO 0.53 -0.17 0.67 0.77 -0.73 0.00 0.00 179.01 180.08 1s6i h SER 46 N -0.26 0.00 0.52 1.04 0.02 -2.00 0.74 113.55 113.61 1s6i h SER 46 Ca 0.14 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.93 1s6i h SER 46 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1s6i h SER 46 CO -0.69 0.00 -0.70 -0.33 -1.14 0.00 0.00 176.83 173.97 1s6i h GLU 47 N 0.00 0.15 0.52 3.45 5.08 -1.17 -2.06 114.58 120.54 1s6i h GLU 47 Ca 0.29 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1s6i h GLU 47 Cb 1.62 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1s6i h GLU 47 CO -0.00 0.78 -0.25 0.82 -1.00 0.00 0.00 179.01 179.36 1s6i h ILE 48 N 0.10 0.00 -0.69 3.13 5.03 0.64 -1.70 117.51 124.03 1s6i h ILE 48 Ca -0.02 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.85 1s6i h ILE 48 Cb 1.24 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.98 1s6i h ILE 48 CO 0.10 0.00 0.46 0.50 -0.68 0.00 0.00 178.15 178.53 1s6i h LYS 49 N -0.70 0.42 0.27 2.37 3.64 -1.62 -2.46 116.57 118.48 1s6i h LYS 49 Ca -0.07 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1s6i h LYS 49 Cb 0.54 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1s6i h LYS 49 CO 0.11 0.27 -0.47 0.22 -2.27 0.00 0.00 179.45 177.31 1s6i h ASP 50 N 0.43 -1.37 0.42 4.20 3.58 -1.03 -0.23 116.42 122.42 1s6i h ASP 50 Ca 0.33 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.91 1s6i h ASP 50 Cb 0.69 0.48 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1s6i h ASP 50 CO -0.10 -0.55 0.00 0.00 -2.88 0.00 0.00 179.24 175.71 1s6i n LEU 51 N -5.21 0.65 -0.02 2.28 -0.00 -0.67 -1.54 117.00 112.49 1s6i n LEU 51 Ca -0.09 0.71 -0.00 0.00 -0.00 0.00 0.00 56.01 56.63 1s6i n LEU 51 Cb 0.40 -0.69 -0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1s6i n LEU 51 CO 0.19 -0.74 -0.01 0.24 -0.00 0.00 0.00 177.39 177.06 1s6i h MET 52 N 0.00 0.00 0.00 1.47 2.86 -0.82 0.81 114.93 119.25 1s6i h MET 52 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6i h MET 52 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1s6i h MET 52 CO 0.00 0.00 -0.02 0.22 1.06 0.00 0.00 176.91 178.17 1s6i h ASP 53 N -0.42 0.00 0.10 1.22 1.82 -1.12 1.04 116.42 119.07 1s6i h ASP 53 Ca 0.00 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.28 1s6i h ASP 53 Cb 0.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 1s6i h ASP 53 CO 0.00 0.02 -2.03 0.00 -1.61 0.00 0.00 179.24 175.61 1s6i n ALA 54 N -2.17 0.95 -0.05 -0.78 0.00 -0.59 -4.76 120.51 113.11 1s6i n ALA 54 Ca -0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 1s6i n ALA 54 Cb 0.12 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1s6i n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 55 N -3.06 2.01 -1.53 0.00 0.00 0.20 -4.92 120.51 113.21 1s6i n ALA 55 Ca -0.34 -0.43 -0.34 0.00 0.00 0.00 0.00 53.44 52.33 1s6i n ALA 55 Cb 1.03 0.31 -0.09 0.00 0.00 0.00 0.00 19.45 20.70 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 -3.09 1.30 -0.46 0.00 -0.08 0.36 -4.70 116.55 109.87 1s6i n ASP 56 Ca -0.19 -0.38 0.39 0.00 -1.51 0.00 0.00 54.79 53.10 1s6i n ASP 56 Cb 0.67 -1.29 0.64 0.00 2.34 0.00 0.00 41.12 43.48 1s6i n ASP 56 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1s6i n ILE 57 N 7.74 -0.21 -2.59 5.18 5.41 -1.26 -0.72 119.36 132.91 1s6i n ILE 57 Ca 0.50 1.63 -0.11 0.00 1.00 0.00 0.00 62.75 65.77 1s6i n ILE 57 Cb 0.33 -2.68 0.03 0.00 -0.71 0.00 0.00 39.64 36.61 1s6i n ILE 57 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1s6i n ASP 58 N -4.46 2.55 -2.64 4.38 5.68 -1.26 -5.05 116.55 115.74 1s6i n ASP 58 Ca 0.38 -2.82 -0.14 0.00 -0.50 0.00 0.00 54.79 51.71 1s6i n ASP 58 Cb 1.50 -0.47 -0.13 0.00 -1.14 0.00 0.00 41.12 40.88 1s6i n ASP 58 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1s6i n LYS 59 N -0.40 0.00 -0.10 0.11 0.00 0.10 -4.61 118.16 113.26 1s6i n LYS 59 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.55 1s6i n LYS 59 Cb 0.81 -0.61 0.08 0.00 0.00 0.00 0.00 35.03 35.30 1s6i n LYS 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s6i n SER 60 N 3.47 1.79 0.00 3.14 3.41 -1.26 -4.95 113.62 119.23 1s6i n SER 60 Ca 0.40 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 1s6i n SER 60 Cb 0.08 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 -0.91 0.55 3.33 5.00 0.00 -1.26 -5.03 105.19 106.87 1s6i n GLY 61 Ca 0.09 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1s6i n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6i s THR 62 N -2.00 -0.21 -0.11 2.61 2.01 -1.22 -2.40 115.64 114.32 1s6i s THR 62 Ca 0.00 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 1s6i s THR 62 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1s6i s THR 62 CO 0.00 0.04 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.24 1s6i s ILE 63 N 1.78 3.36 0.37 1.82 1.01 0.54 -4.84 121.20 125.25 1s6i s ILE 63 Ca -0.08 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1s6i s ILE 63 Cb -0.09 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 1s6i s ILE 63 CO -0.14 0.54 0.38 -1.81 0.00 0.00 0.00 174.94 173.91 1s6i s ASP 64 N -0.04 5.36 0.24 3.58 1.11 -1.26 -0.36 116.67 125.30 1s6i s ASP 64 Ca -0.01 -0.52 -0.03 0.00 0.18 0.00 0.00 52.55 52.17 1s6i s ASP 64 Cb -0.14 -0.84 0.50 0.00 1.07 0.00 0.00 42.92 43.52 1s6i s ASP 64 CO 0.03 -0.51 1.29 0.00 1.18 0.00 0.00 175.17 177.16 1s6i n TYR 65 N -1.53 0.41 0.40 4.23 9.36 -1.26 0.11 117.16 128.88 1s6i n TYR 65 Ca 0.01 1.00 -0.16 0.00 3.32 0.00 0.00 57.90 62.08 1s6i n TYR 65 Cb 0.60 -1.05 -0.08 0.00 -0.63 0.00 0.00 39.34 38.18 1s6i n TYR 65 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1s6i h GLY 66 N 0.00 -1.09 0.28 2.98 0.00 -2.01 -2.79 103.07 100.45 1s6i h GLY 66 Ca 0.45 0.41 0.25 0.00 0.00 0.00 0.00 47.33 48.43 1s6i h GLY 66 CO -0.82 -0.40 0.62 0.83 0.00 0.00 0.00 176.54 176.77 1s6i h GLU 67 N -1.27 0.01 -0.28 4.80 5.08 -1.37 0.44 114.58 121.99 1s6i h GLU 67 Ca -0.11 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1s6i h GLU 67 Cb 0.81 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1s6i h GLU 67 CO 0.18 0.00 0.15 0.35 -1.00 0.00 0.00 179.01 178.68 1s6i h PHE 68 N 0.01 0.39 0.00 4.33 3.57 -0.12 -1.75 116.94 123.37 1s6i h PHE 68 Ca 0.41 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.90 1s6i h PHE 68 Cb 1.63 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1s6i h PHE 68 CO -0.00 0.33 0.00 0.82 -2.23 0.00 0.00 178.31 177.24 1s6i h ILE 69 N 0.32 0.00 0.00 1.41 2.04 -0.64 0.27 117.51 120.91 1s6i h ILE 69 Ca 0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1s6i h ILE 69 Cb 0.08 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1s6i h ILE 69 CO -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.12 1s6i h ALA 70 N 2.00 1.02 -0.13 1.87 0.00 -1.24 -1.12 119.26 121.65 1s6i h ALA 70 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1s6i h ALA 70 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s6i h ALA 70 CO 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 179.25 178.89 1s6i h ALA 71 N 1.98 1.11 0.00 0.00 0.00 -0.55 0.32 119.26 122.12 1s6i h ALA 71 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s6i h ALA 71 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1s6i h ALA 71 CO 0.00 0.58 0.00 1.79 0.00 0.00 0.00 179.25 181.62 1s6i h THR 72 N 0.24 0.00 0.00 0.00 1.35 -1.32 -2.21 112.91 110.97 1s6i h THR 72 Ca 0.03 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1s6i h THR 72 Cb 0.79 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1s6i h THR 72 CO 0.06 0.00 -0.74 0.52 -0.25 0.00 0.00 175.52 175.11 1s6i n VAL 73 N -2.61 0.25 -0.23 6.82 0.31 -0.22 -3.90 118.33 118.76 1s6i n VAL 73 Ca 0.04 -0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.08 1s6i n VAL 73 Cb 0.42 0.03 0.04 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.88 0.00 3.52 6.17 0.21 0.51 115.15 126.44 1s6i h HIS 74 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1s6i h HIS 74 Cb 0.71 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 30.35 1s6i h HIS 74 CO 0.00 0.63 0.00 1.28 0.71 0.00 0.00 177.93 180.55 1s6i n LEU 75 N -4.54 0.00 -3.70 0.26 4.32 -1.25 -3.82 117.00 108.27 1s6i n LEU 75 Ca 0.05 0.31 -0.29 0.00 -0.02 0.00 0.00 56.01 56.06 1s6i n LEU 75 Cb 0.09 -0.31 -0.09 0.00 -1.62 0.00 0.00 43.42 41.48 1s6i n LEU 75 CO 0.37 -0.08 0.08 -3.20 -1.22 0.00 0.00 177.39 173.34 1s6i n ASN 76 N -1.31 3.57 -2.69 -1.43 4.05 0.18 -4.91 115.26 112.71 1s6i n ASN 76 Ca 0.10 -3.32 -0.32 0.00 0.45 0.00 0.00 54.58 51.48 1s6i n ASN 76 Cb 0.19 -0.76 0.01 0.00 1.23 0.00 0.00 39.78 40.46 1s6i n ASN 76 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1s6i n LYS 77 N 1.45 3.23 0.02 1.20 5.02 -1.20 -4.73 118.16 123.13 1s6i n LYS 77 Ca 0.25 -4.16 0.03 0.00 -2.02 0.00 0.00 58.31 52.41 1s6i n LYS 77 Cb 0.38 -2.26 0.16 0.00 -0.02 0.00 0.00 35.03 33.28 1s6i n LYS 77 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s6i n LEU 78 N -0.48 0.06 -4.89 -0.35 4.77 -1.26 -4.65 117.00 110.20 1s6i n LEU 78 Ca 0.44 0.52 -0.21 0.00 -0.03 0.00 0.00 56.01 56.74 1s6i n LEU 78 Cb 0.48 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1s6i n LEU 78 CO 0.40 -0.45 0.03 -1.61 -1.33 0.00 0.00 177.39 174.43 1s6i s GLU 79 N -3.05 2.49 0.08 3.23 8.01 -1.26 -5.14 118.70 123.07 1s6i s GLU 79 Ca 0.02 -1.59 0.08 0.00 0.01 0.00 0.00 54.97 53.49 1s6i s GLU 79 Cb 0.04 -2.37 -0.04 0.00 -4.31 0.00 0.00 34.13 27.45 1s6i s GLU 79 CO 0.11 -0.28 -0.16 1.03 0.01 0.00 0.00 175.26 175.97 1s6i s ARG 80 N -4.18 1.98 0.03 1.61 0.52 -1.26 -5.14 118.95 112.51 1s6i s ARG 80 Ca 0.47 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 1s6i s ARG 80 Cb -0.03 -2.19 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 1s6i s ARG 80 CO 0.28 0.51 -0.08 -1.21 0.02 0.00 0.00 175.30 174.81 1s6i s GLU 81 N -1.90 0.57 -0.28 3.54 2.02 -1.26 -5.15 118.70 116.24 1s6i s GLU 81 Ca 0.18 -0.65 -0.18 0.00 0.02 0.00 0.00 54.97 54.34 1s6i s GLU 81 Cb -0.11 -0.43 0.09 0.00 0.10 0.00 0.00 34.13 33.79 1s6i s GLU 81 CO 0.09 0.09 0.77 -1.83 0.02 0.00 0.00 175.26 174.41 1s6i s GLU 82 N -1.23 0.65 0.36 1.61 -1.05 -1.26 -5.18 118.70 112.60 1s6i s GLU 82 Ca -0.06 1.04 -0.04 0.00 -0.15 0.00 0.00 54.97 55.76 1s6i s GLU 82 Cb -0.08 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1s6i s GLU 82 CO 0.00 -0.12 0.55 0.09 0.95 0.00 0.00 175.26 176.73 1s6i n ASN 83 N 3.84 -1.55 -0.03 0.83 3.02 -1.26 -5.08 115.26 115.03 1s6i n ASN 83 Ca -0.18 -2.83 -0.02 0.00 -0.03 0.00 0.00 54.58 51.51 1s6i n ASN 83 Cb 0.58 2.80 -0.01 0.00 -0.61 0.00 0.00 39.78 42.54 1s6i n ASN 83 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1s6i n LEU 84 N 0.00 0.82 0.23 3.41 0.00 -1.26 -4.39 117.00 115.81 1s6i n LEU 84 Ca -0.01 0.42 0.09 0.00 0.00 0.00 0.00 56.01 56.51 1s6i n LEU 84 Cb 0.59 -0.67 0.53 0.00 0.00 0.00 0.00 43.42 43.87 1s6i n LEU 84 CO 0.29 -0.49 0.84 -0.37 0.00 0.00 0.00 177.39 177.66 1s6i h VAL 85 N -0.45 0.74 -0.22 1.96 -1.51 -1.99 -2.41 116.25 112.37 1s6i h VAL 85 Ca 0.00 -0.97 0.06 0.00 -1.23 0.00 0.00 66.70 64.56 1s6i h VAL 85 Cb 0.23 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 1s6i h VAL 85 CO 0.00 0.23 0.33 0.28 -1.23 0.00 0.00 177.57 177.18 1s6i h SER 86 N 0.00 0.00 0.00 4.19 0.02 -1.99 -0.32 113.55 115.45 1s6i h SER 86 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1s6i h SER 86 Cb 0.58 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1s6i h SER 86 CO 0.03 0.00 -0.56 0.00 -1.14 0.00 0.00 176.83 175.16 1s6i h ALA 87 N 1.55 0.11 -1.30 3.77 0.00 -1.63 -1.75 119.26 120.01 1s6i h ALA 87 Ca 0.10 -0.78 0.46 0.00 0.00 0.00 0.00 54.91 54.69 1s6i h ALA 87 Cb 0.76 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.75 1s6i h ALA 87 CO -0.00 0.32 0.83 0.34 0.00 0.00 0.00 179.25 180.74 1s6i n PHE 88 N -4.54 0.72 -0.08 0.00 7.35 -0.18 0.16 117.46 120.88 1s6i n PHE 88 Ca -0.19 0.72 -0.12 0.00 -0.76 0.00 0.00 57.45 57.11 1s6i n PHE 88 Cb 0.53 -1.16 -0.06 0.00 0.35 0.00 0.00 39.48 39.14 1s6i n PHE 88 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1s6i h SER 89 N 0.00 0.00 0.13 -2.13 0.87 -1.52 -3.30 113.55 107.60 1s6i h SER 89 Ca 0.85 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 61.16 1s6i h SER 89 Cb 2.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.65 1s6i h SER 89 CO -0.48 1.06 -0.06 0.22 -0.53 0.00 0.00 176.83 177.04 1s6i h TYR 90 N -1.00 -0.16 0.40 2.24 3.20 -0.02 -3.17 116.97 118.45 1s6i h TYR 90 Ca -0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 1s6i h TYR 90 Cb 0.83 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 1s6i h TYR 90 CO -0.06 -0.10 -0.24 0.74 -1.64 0.00 0.00 178.16 176.86 1s6i h PHE 91 N -0.66 -0.64 0.00 -3.82 -1.00 0.15 -2.79 116.94 108.19 1s6i h PHE 91 Ca -0.02 -0.01 -0.49 0.00 2.81 0.00 0.00 57.97 60.27 1s6i h PHE 91 Cb 0.14 0.23 0.02 0.00 3.61 0.00 0.00 35.95 39.94 1s6i h PHE 91 CO 0.02 -0.36 3.08 -3.47 -1.61 0.00 0.00 178.31 175.97 1s6i n ASP 92 N -3.79 6.38 -0.34 2.17 -0.08 0.19 -4.50 116.55 116.58 1s6i n ASP 92 Ca -0.07 -2.42 0.15 0.00 -1.51 0.00 0.00 54.79 50.94 1s6i n ASP 92 Cb 0.25 -1.27 0.35 0.00 2.34 0.00 0.00 41.12 42.78 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1s6i h LYS 93 N 5.82 0.57 0.00 -0.67 1.63 -1.46 0.30 116.57 122.76 1s6i h LYS 93 Ca 0.64 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.39 1s6i h LYS 93 Cb 0.21 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1s6i h LYS 93 CO 1.58 0.38 -0.09 0.22 -3.45 0.00 0.00 179.45 178.08 1s6i h ASP 94 N 0.58 0.00 -6.11 4.20 3.58 -1.84 -3.48 116.42 113.35 1s6i h ASP 94 Ca 0.60 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.79 1s6i h ASP 94 Cb 1.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1s6i h ASP 94 CO -0.46 0.09 -0.68 0.61 -2.88 0.00 0.00 179.24 175.92 1s6i n GLY 95 N 0.40 -1.10 0.00 -0.78 0.00 0.11 -4.89 105.19 98.92 1s6i n GLY 95 Ca 0.01 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.78 0.19 0.00 1.61 3.41 -1.26 -4.99 113.62 110.79 1s6i n SER 96 Ca -0.14 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1s6i n SER 96 Cb 0.60 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1s6i n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 97 N 0.19 0.94 3.14 5.00 0.00 -1.26 -5.04 105.19 108.15 1s6i n GLY 97 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1s6i n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s6i s TYR 98 N -2.00 0.24 -0.26 1.61 1.51 -1.26 -0.74 117.35 116.44 1s6i s TYR 98 Ca 0.00 -0.62 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1s6i s TYR 98 Cb 0.00 -0.16 0.08 0.00 -0.11 0.00 0.00 41.96 41.78 1s6i s TYR 98 CO 0.00 -0.43 0.07 0.42 -1.11 0.00 0.00 175.55 174.50 1s6i s ILE 99 N -3.25 0.71 0.49 2.71 1.01 0.97 -4.69 121.20 119.15 1s6i s ILE 99 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 1s6i s ILE 99 Cb 0.03 -1.39 -0.07 0.00 0.01 0.00 0.00 42.46 41.03 1s6i s ILE 99 CO -0.08 -0.48 1.13 0.42 0.00 0.00 0.00 174.94 175.93 1s6i s THR 100 N 1.73 3.26 0.29 2.92 -4.23 -1.26 0.36 115.64 118.70 1s6i s THR 100 Ca 0.05 0.87 0.17 0.00 -1.18 0.00 0.00 61.69 61.60 1s6i s THR 100 Cb -0.17 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.55 1s6i s THR 100 CO -0.19 -0.08 1.17 0.00 -0.54 0.00 0.00 174.62 174.98 1s6i n LEU 101 N -0.78 0.24 0.13 4.79 -0.00 -0.47 0.16 117.00 121.07 1s6i n LEU 101 Ca 0.09 1.19 -0.13 0.00 -0.00 0.00 0.00 56.01 57.16 1s6i n LEU 101 Cb 0.50 -0.58 -0.06 0.00 -0.00 0.00 0.00 43.42 43.27 1s6i n LEU 101 CO 0.45 -1.33 0.68 0.44 -0.00 0.00 0.00 177.39 177.63 1s6i h ASP 102 N 0.00 -0.76 -0.54 1.45 5.19 -1.88 0.13 116.42 120.00 1s6i h ASP 102 Ca 0.64 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 1s6i h ASP 102 Cb 1.76 0.28 -0.03 0.00 0.18 0.00 0.00 39.33 41.53 1s6i h ASP 102 CO -0.53 -0.37 0.34 -0.33 -3.12 0.00 0.00 179.24 175.24 1s6i h GLU 103 N -0.50 0.73 0.32 3.56 5.08 0.13 0.22 114.58 124.11 1s6i h GLU 103 Ca 0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1s6i h GLU 103 Cb 0.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1s6i h GLU 103 CO -0.14 0.51 -0.23 0.82 -1.00 0.00 0.00 179.01 178.97 1s6i h ILE 104 N 0.73 0.00 0.39 3.13 2.04 -0.85 -1.47 117.51 121.48 1s6i h ILE 104 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 1s6i h ILE 104 Cb -0.05 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1s6i h ILE 104 CO -0.04 0.00 -0.23 1.56 0.00 0.00 0.00 178.15 179.44 1s6i h GLN 105 N -0.53 -0.55 -1.42 2.37 4.20 -0.76 -2.87 115.11 115.56 1s6i h GLN 105 Ca -0.04 0.04 0.44 0.00 0.06 0.00 0.00 58.65 59.15 1s6i h GLN 105 Cb 0.44 0.12 -0.11 0.00 0.30 0.00 0.00 27.48 28.23 1s6i h GLN 105 CO 0.02 -0.37 0.95 0.37 -0.67 0.00 0.00 178.83 179.13 1s6i h GLN 106 N -0.57 0.08 0.23 1.46 4.15 -0.66 -1.13 115.11 118.66 1s6i h GLN 106 Ca -0.05 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1s6i h GLN 106 Cb 0.45 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1s6i h GLN 106 CO 0.06 0.05 -0.18 0.00 -1.93 0.00 0.00 178.83 176.83 1s6i h ALA 107 N 1.47 -0.95 -1.87 3.38 0.00 -1.02 -3.42 119.26 116.83 1s6i h ALA 107 Ca 0.80 -0.08 -0.64 0.00 0.00 0.00 0.00 54.91 55.00 1s6i h ALA 107 Cb 2.71 0.37 0.08 0.00 0.00 0.00 0.00 17.79 20.95 1s6i h ALA 107 CO -0.29 -0.95 0.36 0.00 0.00 0.00 0.00 179.25 178.36 1s6i h LYS 109 N 3.65 0.00 0.00 0.00 1.79 -1.85 -3.39 116.57 116.78 1s6i h LYS 109 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1s6i h LYS 109 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1s6i h LYS 109 CO 0.72 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.84 1s6i n ASP 110 N -4.41 0.00 -0.34 0.86 8.00 -1.26 -4.04 116.55 115.35 1s6i n ASP 110 Ca -0.06 -0.38 0.36 0.00 0.71 0.00 0.00 54.79 55.42 1s6i n ASP 110 Cb 0.22 -0.15 0.74 0.00 -0.02 0.00 0.00 41.12 41.91 1s6i n ASP 110 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1s6i h PHE 111 N 0.00 0.00 -4.95 1.24 -0.00 -1.94 -3.45 116.94 107.84 1s6i h PHE 111 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.97 57.63 1s6i h PHE 111 Cb 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 35.95 36.18 1s6i h PHE 111 CO 0.00 0.00 -0.57 0.41 -0.00 0.00 0.00 178.31 178.15 1s6i n GLY 112 N -1.77 -0.34 2.03 6.09 0.00 -1.26 -4.80 105.19 105.15 1s6i n GLY 112 Ca 0.27 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.23 -0.03 -3.89 0.99 0.00 -1.26 -4.95 117.00 103.63 1s6i n LEU 113 Ca -0.01 0.67 -0.09 0.00 0.00 0.00 0.00 56.01 56.58 1s6i n LEU 113 Cb 0.56 -0.54 -0.01 0.00 0.00 0.00 0.00 43.42 43.44 1s6i n LEU 113 CO 0.53 -1.13 0.42 -0.62 0.00 0.00 0.00 177.39 176.59 1s6i s ASP 114 N -0.02 0.07 0.00 1.96 2.15 -1.26 -5.05 116.67 114.52 1s6i s ASP 114 Ca 0.52 -1.05 0.26 0.00 0.43 0.00 0.00 52.55 52.72 1s6i s ASP 114 Cb -0.73 0.76 0.73 0.00 -0.30 0.00 0.00 42.92 43.38 1s6i s ASP 114 CO 0.33 -1.49 1.56 0.47 -0.17 0.00 0.00 175.17 175.87 1s6i n ASP 115 N -1.07 0.67 -0.03 -0.34 8.00 -1.26 -2.54 116.55 119.98 1s6i n ASP 115 Ca -0.05 -0.49 -0.01 0.00 0.71 0.00 0.00 54.79 54.95 1s6i n ASP 115 Cb 0.60 0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.82 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1s6i h ILE 116 N 0.53 0.00 0.00 0.53 2.04 -1.96 -3.41 117.51 115.24 1s6i h ILE 116 Ca 0.00 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1s6i h ILE 116 Cb 0.49 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 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 -3.28 0.07 0.33 1.37 8.25 -1.26 -3.87 115.22 116.83 1s6i n HIS 117 Ca -0.02 0.03 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1s6i n HIS 117 Cb 0.06 -0.24 0.72 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.10 0.00 0.03 1.59 2.04 -1.90 0.19 117.51 119.37 1s6i h ILE 118 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1s6i h ILE 118 Cb 0.06 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1s6i h ILE 118 CO 0.00 0.00 -0.02 -0.78 0.00 0.00 0.00 178.15 177.35 1s6i h ASP 119 N 0.00 -0.04 0.45 1.72 3.58 -1.70 -2.86 116.42 117.57 1s6i h ASP 119 Ca 0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 1s6i h ASP 119 Cb 0.78 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1s6i h ASP 119 CO 0.00 0.70 0.00 0.44 -2.88 0.00 0.00 179.24 177.50 1s6i h ASP 120 N -0.84 0.00 -0.59 2.28 5.19 -0.93 -1.10 116.42 120.43 1s6i h ASP 120 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 1s6i h ASP 120 Cb 0.70 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1s6i h ASP 120 CO 0.01 0.00 0.08 -0.03 -3.12 0.00 0.00 179.24 176.18 1s6i h MET 121 N 0.00 0.98 -0.99 3.56 1.85 -0.60 2.20 114.93 121.93 1s6i h MET 121 Ca 0.00 -0.27 0.13 0.00 -0.61 0.00 0.00 59.70 58.95 1s6i h MET 121 Cb 0.23 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 32.06 1s6i h MET 121 CO 0.00 0.94 0.63 0.82 -0.40 0.00 0.00 176.91 178.89 1s6i h ILE 122 N 0.88 0.88 0.00 1.77 2.04 -0.97 1.34 117.51 123.45 1s6i h ILE 122 Ca 0.18 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1s6i h ILE 122 Cb 0.44 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1s6i h ILE 122 CO 0.01 0.17 -0.47 0.29 0.00 0.00 0.00 178.15 178.16 1s6i n LYS 123 N -4.63 0.23 0.03 2.37 4.76 -0.56 -2.46 118.16 117.90 1s6i n LYS 123 Ca 0.19 0.09 0.11 0.00 -2.87 0.00 0.00 58.31 55.84 1s6i n LYS 123 Cb 0.40 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 31.93 1s6i n LYS 123 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1s6i n GLU 124 N -2.01 0.30 -0.05 1.97 2.13 0.73 -4.43 120.64 119.28 1s6i n GLU 124 Ca 0.04 -0.01 -0.06 0.00 0.66 0.00 0.00 57.16 57.80 1s6i n GLU 124 Cb 0.42 -1.59 -0.06 0.00 0.27 0.00 0.00 31.44 30.48 1s6i n GLU 124 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1s6i n ILE 125 N -1.98 0.58 -1.58 6.31 5.41 0.37 -4.98 119.36 123.50 1s6i n ILE 125 Ca 0.02 -0.28 -0.53 0.00 1.00 0.00 0.00 62.75 62.96 1s6i n ILE 125 Cb 0.44 -0.83 -0.06 0.00 -0.71 0.00 0.00 39.64 38.48 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s6i n ASP 126 N -2.58 1.42 0.08 4.38 -0.08 -1.03 -4.89 116.55 113.85 1s6i n ASP 126 Ca -0.16 1.12 0.05 0.00 -1.51 0.00 0.00 54.79 54.30 1s6i n ASP 126 Cb 0.73 -1.15 -0.02 0.00 2.34 0.00 0.00 41.12 43.01 1s6i n ASP 126 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1s6i h GLN 127 N 4.38 0.00 0.00 -0.67 5.75 -1.92 -3.44 115.11 119.21 1s6i h GLN 127 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1s6i h GLN 127 Cb 1.35 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.90 1s6i h GLN 127 CO 0.76 0.18 -0.24 -0.40 -2.65 0.00 0.00 178.83 176.49 1s6i n ASP 128 N -2.86 1.12 0.00 -0.69 5.75 -1.26 -4.82 116.55 113.79 1s6i n ASP 128 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1s6i n ASP 128 Cb 0.70 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1s6i n ASN 129 N -1.10 0.00 0.00 -1.12 2.04 -1.26 -5.01 115.26 108.81 1s6i n ASN 129 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1s6i n ASN 129 Cb 0.12 0.00 0.03 0.00 -2.53 0.00 0.00 39.78 37.40 1s6i n ASN 129 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1s6i n ASP 130 N 0.00 0.00 -3.40 0.53 8.00 -1.26 -4.76 116.55 115.66 1s6i n ASP 130 Ca 0.00 -0.43 -0.25 0.00 0.71 0.00 0.00 54.79 54.82 1s6i n ASP 130 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.30 -0.51 3.45 0.44 0.00 -1.26 -4.48 105.19 102.53 1s6i n GLY 131 Ca 0.01 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.09 1.65 -0.04 1.61 -2.07 -1.26 -1.36 119.66 112.10 1s6i s GLN 132 Ca 0.46 -1.90 0.01 0.00 -1.82 0.00 0.00 55.36 52.10 1s6i s GLN 132 Cb -0.22 -0.92 0.02 0.00 -1.09 0.00 0.00 33.01 30.80 1s6i s GLN 132 CO 0.56 -0.16 -0.02 0.42 -1.32 0.00 0.00 175.29 174.77 1s6i s ILE 133 N -3.25 0.37 0.33 3.63 -1.09 0.16 -3.94 121.20 117.41 1s6i s ILE 133 Ca 0.36 -0.03 0.07 0.00 -2.23 0.00 0.00 60.65 58.81 1s6i s ILE 133 Cb 0.08 -0.43 -0.02 0.00 -1.58 0.00 0.00 42.46 40.52 1s6i s ILE 133 CO 0.15 0.19 0.41 -1.81 -1.23 0.00 0.00 174.94 172.64 1s6i s ASP 134 N 0.93 5.73 0.52 3.58 1.11 -1.26 0.32 116.67 127.61 1s6i s ASP 134 Ca -0.11 -0.30 0.34 0.00 0.18 0.00 0.00 52.55 52.66 1s6i s ASP 134 Cb -0.14 -1.14 1.49 0.00 1.07 0.00 0.00 42.92 44.20 1s6i s ASP 134 CO -0.01 -0.40 1.80 0.22 1.18 0.00 0.00 175.17 177.96 1s6i h TYR 135 N 1.02 0.10 0.00 4.23 3.20 -1.27 1.18 116.97 125.43 1s6i h TYR 135 Ca -0.45 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.26 1s6i h TYR 135 Cb 1.26 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1s6i h TYR 135 CO 0.46 0.00 -1.06 0.78 -1.64 0.00 0.00 178.16 176.71 1s6i h GLY 136 N 0.06 0.00 0.20 1.82 0.00 -1.82 -3.10 103.07 100.21 1s6i h GLY 136 Ca 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 1s6i h GLY 136 CO -0.05 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 177.28 1s6i h GLU 137 N 0.00 -0.10 0.00 4.80 5.08 0.91 -1.12 114.58 124.16 1s6i h GLU 137 Ca -0.10 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1s6i h GLU 137 Cb 1.58 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 1s6i h GLU 137 CO 0.07 0.43 -0.02 0.35 -1.00 0.00 0.00 179.01 178.84 1s6i h PHE 138 N -0.91 0.00 0.05 4.33 3.57 -0.51 0.39 116.94 123.85 1s6i h PHE 138 Ca -0.01 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.21 1s6i h PHE 138 Cb 0.57 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1s6i h PHE 138 CO 0.13 0.02 -1.51 0.00 -2.23 0.00 0.00 178.31 174.71 1s6i h ALA 139 N 1.98 0.50 0.00 2.41 0.00 -1.57 -3.37 119.26 119.20 1s6i h ALA 139 Ca -0.00 -1.22 -0.23 0.00 0.00 0.00 0.00 54.91 53.46 1s6i h ALA 139 Cb 0.06 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1s6i h ALA 139 CO 0.00 1.35 -1.53 0.00 0.00 0.00 0.00 179.25 179.08 1s6i h ALA 140 N 0.77 0.71 0.00 0.00 0.00 -0.38 -3.12 119.26 117.24 1s6i h ALA 140 Ca -0.22 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1s6i h ALA 140 Cb 1.96 0.36 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1s6i h ALA 140 CO 0.12 1.23 0.00 0.00 0.00 0.00 0.00 179.25 180.60 1s6i n MET 141 N -2.98 0.05 0.00 0.00 3.85 0.13 -2.47 117.12 115.70 1s6i n MET 141 Ca -0.13 0.48 0.00 0.00 -1.00 0.00 0.00 57.70 57.05 1s6i n MET 141 Cb 0.94 -1.63 0.00 0.00 -1.05 0.00 0.00 33.22 31.48 1s6i n MET 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6i n MET 142 N -1.72 1.68 -0.59 3.17 0.00 -1.26 -5.07 117.12 113.32 1s6i n MET 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1s6i n MET 142 Cb 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 33.22 32.34 1s6i n MET 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1s6i n ARG 143 N -1.47 1.84 0.00 3.17 1.74 -1.03 -5.12 116.66 115.78 1s6i n ARG 143 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1s6i n ARG 143 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1s6i n ARG 143 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1s6i n LYS 144 N -0.58 -0.92 -3.38 5.56 5.02 -1.26 -4.86 118.16 117.74 1s6i n LYS 144 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1s6i n LYS 144 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1s6i n LYS 144 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1s6i s ARG 145 N -2.91 3.95 -0.30 1.97 6.06 -1.26 -4.77 118.95 121.69 1s6i s ARG 145 Ca 0.00 -3.06 -0.26 0.00 -2.50 0.00 0.00 55.73 49.92 1s6i s ARG 145 Cb 0.00 -4.45 0.01 0.00 0.06 0.00 0.00 34.95 30.57 1s6i s ARG 145 CO 0.00 -1.25 0.90 0.15 -2.50 0.00 0.00 175.30 172.60 1s6i s LYS 146 N -0.95 4.04 0.00 5.12 -0.14 -1.26 -4.90 119.74 121.65 1s6i s LYS 146 Ca 0.27 0.84 0.25 0.00 -1.36 0.00 0.00 55.97 55.97 1s6i s LYS 146 Cb -0.10 -3.71 0.48 0.00 -1.68 0.00 0.00 37.83 32.82 1s6i s LYS 146 CO -0.09 -0.73 1.39 0.41 -0.76 0.00 0.00 175.35 175.58 1s6i n GLY 147 N 3.97 -0.39 3.66 -3.33 0.00 -1.26 -4.85 105.19 102.99 1s6i n GLY 147 Ca 0.07 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1s6i n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s6i s ASN 148 N -2.50 2.75 0.27 1.61 2.20 -1.26 -4.93 114.94 113.08 1s6i s ASN 148 Ca 0.22 2.10 -0.01 0.00 -0.94 0.00 0.00 52.86 54.23 1s6i s ASN 148 Cb 0.19 -2.54 0.37 0.00 -2.00 0.00 0.00 41.25 37.27 1s6i s ASN 148 CO 0.54 -3.20 1.78 1.23 -2.94 0.00 0.00 177.10 174.52 1s6i h GLY 149 N -1.93 0.85 -1.19 0.45 0.00 -1.92 -3.06 103.07 96.26 1s6i h GLY 149 Ca -0.45 -0.54 0.45 0.00 0.00 0.00 0.00 47.33 46.79 1s6i h GLY 149 CO 0.43 0.50 1.00 -1.33 0.00 0.00 0.00 176.54 177.14 1s6i h GLY 150 N 0.96 0.77 0.00 4.60 0.00 -1.91 -3.41 103.07 104.08 1s6i h GLY 150 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1s6i h GLY 150 CO 0.01 -0.22 0.00 4.51 0.00 0.00 0.00 176.54 180.84 1s6i n ILE 151 N -4.41 0.00 -1.21 2.60 3.06 -1.16 -5.00 119.36 113.24 1s6i n ILE 151 Ca 0.37 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.62 1s6i n ILE 151 Cb 1.54 -1.08 0.00 0.00 0.54 0.00 0.00 39.64 40.63 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 2.71 1.00 3.70 4.50 0.00 -1.26 -4.64 105.19 111.19 1s6i n GLY 152 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 1.84 -2.41 1.61 -4.01 -1.25 -4.46 116.66 107.98 1s6i n ARG 153 Ca 0.00 0.66 -0.41 0.00 -1.04 0.00 0.00 57.85 57.05 1s6i n ARG 153 Cb 0.13 -2.37 -0.03 0.00 -3.04 0.00 0.00 32.46 27.16 1s6i n ARG 153 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 1s6i s ARG 154 N -2.28 3.24 0.00 2.89 3.00 -1.26 -3.68 118.95 120.86 1s6i s ARG 154 Ca 0.63 0.31 0.00 0.00 -1.00 0.00 0.00 55.73 55.66 1s6i s ARG 154 Cb -0.50 -4.15 0.00 0.00 0.00 0.00 0.00 34.95 30.30 1s6i s ARG 154 CO 0.57 -2.03 0.00 2.41 0.00 0.00 0.00 175.30 176.25 1s6i n THR 155 N 6.78 0.00 -2.32 4.11 -1.04 -1.26 -4.41 114.28 116.13 1s6i n THR 155 Ca 0.11 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.11 1s6i n THR 155 Cb 0.49 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.02 1s6i n THR 155 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1s6i n MET 156 N -0.17 0.25 -1.20 -2.82 1.56 -1.26 -5.16 117.12 108.32 1s6i n MET 156 Ca 0.00 -0.28 -0.38 0.00 -0.27 0.00 0.00 57.70 56.78 1s6i n MET 156 Cb 0.00 0.20 0.01 0.00 2.15 0.00 0.00 33.22 35.58 1s6i n MET 156 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1s6i n ARG 157 N -0.28 0.00 -3.28 2.12 1.74 -1.24 -4.96 116.66 110.76 1s6i n ARG 157 Ca -0.05 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.97 1s6i n ARG 157 Cb 0.53 -0.96 -0.05 0.00 -1.02 0.00 0.00 32.46 30.97 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 -0.96 0.44 -0.38 5.56 2.20 -1.26 -5.09 119.74 120.24 1s6i s LYS 158 Ca 0.55 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 56.43 1s6i s LYS 158 Cb -0.49 -0.19 0.14 0.00 -1.51 0.00 0.00 37.83 35.78 1s6i s LYS 158 CO 0.63 -0.99 0.24 0.99 -0.36 0.00 0.00 175.35 175.86 1s6i s THR 159 N 2.60 0.47 -0.08 3.43 2.01 -1.26 -4.74 115.64 118.07 1s6i s THR 159 Ca 0.10 -2.05 0.03 0.00 0.31 0.00 0.00 61.69 60.08 1s6i s THR 159 Cb -0.12 -1.34 0.10 0.00 0.01 0.00 0.00 72.50 71.14 1s6i s THR 159 CO -0.28 -1.00 0.81 -0.11 -0.69 0.00 0.00 174.62 173.34 1s6i n LEU 160 N 3.75 -0.71 0.00 4.42 7.94 -1.26 -5.15 117.00 125.98 1s6i n LEU 160 Ca 0.14 -1.64 -0.21 0.00 -1.11 0.00 0.00 56.01 53.19 1s6i n LEU 160 Cb 0.38 0.18 0.01 0.00 0.53 0.00 0.00 43.42 44.52 1s6i n LEU 160 CO 0.16 1.23 0.08 0.59 -1.11 0.00 0.00 177.39 178.33 1s6i n ASN 161 N -0.37 2.35 -4.63 1.96 4.13 -1.26 -5.09 115.26 112.36 1s6i n ASN 161 Ca -0.14 -2.50 -0.42 0.00 1.68 0.00 0.00 54.58 53.19 1s6i n ASN 161 Cb 0.60 -0.06 -0.05 0.00 -1.54 0.00 0.00 39.78 38.73 1s6i n ASN 161 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1s6i s LEU 162 N 0.00 4.07 -0.54 3.41 0.20 -1.26 -5.01 118.68 119.56 1s6i s LEU 162 Ca 0.27 0.83 -0.23 0.00 0.69 0.00 0.00 54.13 55.69 1s6i s LEU 162 Cb -0.02 -3.13 0.05 0.00 -0.43 0.00 0.00 46.19 42.65 1s6i s LEU 162 CO 0.17 -0.58 0.86 -0.60 -0.29 0.00 0.00 176.35 175.91 1s6i s ARG 163 N 2.93 3.28 -0.05 1.98 6.06 -1.26 -5.01 118.95 126.88 1s6i s ARG 163 Ca 0.34 -0.42 0.01 0.00 -2.50 0.00 0.00 55.73 53.15 1s6i s ARG 163 Cb -0.14 -4.06 0.02 0.00 0.06 0.00 0.00 34.95 30.83 1s6i s ARG 163 CO 0.10 -1.41 -0.04 0.34 -2.50 0.00 0.00 175.30 171.80 1s6i s ASP 164 N 2.79 1.08 0.88 -2.12 -1.08 -1.26 -5.14 116.67 111.82 1s6i s ASP 164 Ca 0.26 -0.13 -0.12 0.00 -0.52 0.00 0.00 52.55 52.05 1s6i s ASP 164 Cb -0.14 -0.46 0.07 0.00 -1.46 0.00 0.00 42.92 40.94 1s6i s ASP 164 CO 0.17 -0.08 0.83 0.00 0.52 0.00 0.00 175.17 176.62 1s6i n ALA 165 N 4.24 -1.34 1.34 3.66 0.00 -1.26 -4.88 120.51 122.27 1s6i n ALA 165 Ca -0.22 -0.49 0.05 0.00 0.00 0.00 0.00 53.44 52.78 1s6i n ALA 165 Cb 0.51 -2.03 0.15 0.00 0.00 0.00 0.00 19.45 18.08 1s6i n ALA 165 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s6i n LEU 166 N -2.57 1.14 -1.09 0.00 4.32 -1.26 -4.96 117.00 112.58 1s6i n LEU 166 Ca 0.10 -0.56 0.00 0.00 -0.02 0.00 0.00 56.01 55.53 1s6i n LEU 166 Cb 0.52 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1s6i n LEU 166 CO 0.49 0.28 0.00 0.61 -1.22 0.00 0.00 177.39 177.55 1s6i n GLY 167 N 0.87 -2.41 3.51 -0.72 0.00 -1.26 -5.06 105.19 100.12 1s6i n GLY 167 Ca 0.09 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 3.18 -0.26 0.99 1.02 -1.26 -5.07 118.68 117.28 1s6i s LEU 168 Ca 0.00 -0.11 -0.29 0.00 0.02 0.00 0.00 54.13 53.75 1s6i s LEU 168 Cb 0.00 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.45 1s6i s LEU 168 CO 0.00 0.23 1.65 -0.69 0.02 0.00 0.00 176.35 177.56 1s6i s VAL 169 N -0.00 3.65 -0.36 -1.59 1.01 -1.26 -4.87 120.40 116.97 1s6i s VAL 169 Ca 0.00 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.76 1s6i s VAL 169 Cb -0.13 -3.72 0.60 0.00 0.00 0.00 0.00 36.38 33.12 1s6i s VAL 169 CO 0.03 -0.35 1.70 -0.90 0.00 0.00 0.00 175.10 175.57 1s6i n ASP 170 N 8.94 3.25 -0.02 3.32 5.68 -1.26 -4.33 116.55 132.13 1s6i n ASP 170 Ca 0.20 -3.65 0.02 0.00 -0.50 0.00 0.00 54.79 50.86 1s6i n ASP 170 Cb 0.46 -0.74 -0.08 0.00 -1.14 0.00 0.00 41.12 39.63 1s6i n ASP 170 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1s6i n ASN 171 N -1.06 2.75 0.00 -1.12 5.15 -1.26 -5.13 115.26 114.59 1s6i n ASN 171 Ca 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.44 1s6i n ASN 171 Cb 1.35 1.22 0.00 0.00 -0.53 0.00 0.00 39.78 41.83 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s6i n GLY 172 N 2.10 2.44 0.00 8.20 0.00 -1.26 -5.03 105.19 111.63 1s6i n GLY 172 Ca -0.06 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 0.00 -4.32 1.61 2.88 -1.26 -5.07 113.62 107.46 1s6i n SER 173 Ca 0.00 -0.25 -0.38 0.00 -1.33 0.00 0.00 58.87 56.91 1s6i n SER 173 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1s6i n SER 173 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1s6i s ASN 174 N 0.00 5.27 -0.58 -3.46 3.04 -1.26 -5.06 114.94 112.89 1s6i s ASN 174 Ca 0.00 -0.90 -0.23 0.00 0.04 0.00 0.00 52.86 51.77 1s6i s ASN 174 Cb 0.00 -1.89 0.06 0.00 -1.54 0.00 0.00 41.25 37.87 1s6i s ASN 174 CO 0.00 -0.26 0.89 -1.10 -3.04 0.00 0.00 177.10 173.58 1s6i s GLN 175 N 1.47 3.21 0.06 0.43 -1.52 -1.26 -5.03 119.66 117.02 1s6i s GLN 175 Ca 0.01 -0.60 -0.29 0.00 -1.95 0.00 0.00 55.36 52.53 1s6i s GLN 175 Cb -0.18 -4.13 -0.05 0.00 -0.22 0.00 0.00 33.01 28.43 1s6i s GLN 175 CO 0.03 -1.56 0.91 0.14 -0.25 0.00 0.00 175.29 174.57 1s6i s VAL 176 N 3.72 4.69 -0.10 1.09 -7.23 -1.26 -5.05 120.40 116.26 1s6i s VAL 176 Ca 0.24 1.95 0.02 0.00 -1.81 0.00 0.00 61.98 62.38 1s6i s VAL 176 Cb -0.16 -4.27 -0.02 0.00 0.56 0.00 0.00 36.38 32.50 1s6i s VAL 176 CO 0.14 0.28 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.42 1s6i s ILE 177 N 0.34 2.85 -0.05 -0.62 1.01 -1.26 -5.12 121.20 118.35 1s6i s ILE 177 Ca 0.46 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1s6i s ILE 177 Cb -0.22 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1s6i s ILE 177 CO 0.27 0.55 -0.09 -0.70 0.00 0.00 0.00 174.94 174.97 1s6i s GLU 178 N 0.04 1.30 1.22 2.79 2.56 -1.26 -5.15 118.70 120.21 1s6i s GLU 178 Ca -0.06 -0.30 -0.16 0.00 0.00 0.00 0.00 54.97 54.45 1s6i s GLU 178 Cb -0.15 -1.14 0.30 0.00 2.00 0.00 0.00 34.13 35.14 1s6i s GLU 178 CO 0.05 0.01 1.02 0.20 -0.56 0.00 0.00 175.26 175.98 1s6i s GLY 179 N 0.66 1.51 0.00 -1.50 0.00 -1.26 -5.05 107.32 101.68 1s6i s GLY 179 Ca -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1s6i s GLY 179 CO 0.02 0.32 0.00 -1.72 0.00 0.00 0.00 173.10 171.72 1s6i n TYR 180 N -4.99 0.00 -0.64 1.90 4.02 -1.26 -5.05 117.16 111.14 1s6i n TYR 180 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1s6i n TYR 180 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 1s6i n TYR 180 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 1s6i n PHE 181 N 0.00 0.00 1.83 -0.72 1.16 -1.26 -5.36 117.46 113.12 1s6i n PHE 181 Ca 0.00 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.73 1s6i n PHE 181 Cb 0.00 0.03 0.81 0.00 -1.61 0.00 0.00 39.48 38.70 1s6i n PHE 181 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52