#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 4.31 0.46 0.00 2.02 -1.26 -5.05 118.70 119.19 1s6i s GLU 2 Ca 0.00 1.11 0.05 0.00 0.02 0.00 0.00 54.97 56.14 1s6i s GLU 2 Cb 0.00 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 1s6i s GLU 2 CO 0.00 -0.37 0.06 -0.98 0.02 0.00 0.00 175.26 173.99 1s6i s ARG 3 N 2.27 2.11 0.00 1.61 1.04 -1.26 -5.11 118.95 119.62 1s6i s ARG 3 Ca 0.40 -2.19 0.00 0.00 -1.04 0.00 0.00 55.73 52.90 1s6i s ARG 3 Cb -0.17 -1.67 0.00 0.00 -2.04 0.00 0.00 34.95 31.07 1s6i s ARG 3 CO 0.12 -0.23 0.00 -0.11 -0.04 0.00 0.00 175.30 175.05 1s6i n LEU 4 N -1.18 0.00 -0.10 -1.89 7.94 -1.26 -5.06 117.00 115.45 1s6i n LEU 4 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 1s6i n LEU 4 Cb 0.66 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.61 1s6i n LEU 4 CO 0.43 0.00 0.05 -1.54 -1.11 0.00 0.00 177.39 175.22 1s6i n SER 5 N -0.70 0.00 -2.82 1.96 3.41 -1.26 -5.01 113.62 109.20 1s6i n SER 5 Ca 0.00 -0.36 -0.36 0.00 -0.26 0.00 0.00 58.87 57.89 1s6i n SER 5 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1s6i n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s6i n GLU 6 N 0.00 2.76 0.01 4.33 1.02 -1.26 -4.47 120.64 123.03 1s6i n GLU 6 Ca 0.00 -3.19 -0.05 0.00 -0.02 0.00 0.00 57.16 53.90 1s6i n GLU 6 Cb 0.18 -2.24 -0.11 0.00 -0.02 0.00 0.00 31.44 29.24 1s6i n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1s6i h GLU 7 N 3.06 0.00 0.00 3.49 4.81 -1.95 -3.20 114.58 120.79 1s6i h GLU 7 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1s6i h GLU 7 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1s6i h GLU 7 CO 1.26 0.45 0.00 0.39 -0.73 0.00 0.00 179.01 180.38 1s6i n GLU 8 N -3.02 0.00 0.22 1.92 -0.58 -1.26 -4.36 120.64 113.56 1s6i n GLU 8 Ca -0.12 0.26 0.18 0.00 -0.42 0.00 0.00 57.16 57.06 1s6i n GLU 8 Cb 0.96 -0.75 0.85 0.00 -0.57 0.00 0.00 31.44 31.93 1s6i n GLU 8 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1s6i h ILE 9 N 0.00 0.33 -1.92 -3.67 3.07 -1.88 -3.42 117.51 110.02 1s6i h ILE 9 Ca 0.00 0.00 -0.51 0.00 1.55 0.00 0.00 64.86 65.90 1s6i h ILE 9 Cb 0.00 0.80 -0.05 0.00 -0.27 0.00 0.00 36.82 37.29 1s6i h ILE 9 CO 0.00 0.00 -0.49 -0.83 -1.05 0.00 0.00 178.15 175.78 1s6i s GLY 10 N -3.96 1.77 0.00 0.16 0.00 -1.21 -4.62 107.32 99.46 1s6i s GLY 10 Ca -0.04 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1s6i s GLY 10 CO 0.49 -1.62 0.00 0.61 0.00 0.00 0.00 173.10 172.58 1s6i n GLY 11 N -1.26 1.14 0.18 0.20 0.00 -1.26 -4.62 105.19 99.57 1s6i n GLY 11 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1s6i n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6i h LEU 12 N 0.00 0.82 -1.69 0.99 3.38 -1.86 -0.06 115.31 116.89 1s6i h LEU 12 Ca 0.00 -0.76 0.11 0.00 0.09 0.00 0.00 57.88 57.32 1s6i h LEU 12 Cb 0.00 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1s6i h LEU 12 CO 0.00 1.48 0.40 0.50 0.09 0.00 0.00 178.44 180.92 1s6i h LYS 13 N 0.25 0.33 0.19 1.13 3.64 -1.92 0.38 116.57 120.57 1s6i h LYS 13 Ca -0.13 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 58.91 1s6i h LYS 13 Cb 1.66 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 33.42 1s6i h LYS 13 CO 0.19 0.22 -1.48 1.49 -2.27 0.00 0.00 179.45 177.60 1s6i h GLU 14 N 0.34 0.40 -0.03 1.90 4.81 -1.97 -3.21 114.58 116.83 1s6i h GLU 14 Ca 0.28 -0.68 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1s6i h GLU 14 Cb 0.65 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 1s6i h GLU 14 CO -0.07 1.31 0.03 1.25 -0.73 0.00 0.00 179.01 180.80 1s6i h LEU 15 N 0.11 0.00 -0.32 1.64 5.85 0.12 0.67 115.31 123.38 1s6i h LEU 15 Ca -0.24 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.30 1s6i h LEU 15 Cb 2.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.11 1s6i h LEU 15 CO 0.22 0.00 -0.50 0.15 -0.34 0.00 0.00 178.44 177.97 1s6i h PHE 16 N 0.00 1.12 0.00 1.25 3.57 -0.39 -2.75 116.94 119.73 1s6i h PHE 16 Ca 0.01 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1s6i h PHE 16 Cb 0.07 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1s6i h PHE 16 CO 0.00 1.22 -0.38 0.36 -2.23 0.00 0.00 178.31 177.27 1s6i n LYS 17 N -4.03 0.12 -0.04 1.11 2.85 -0.27 -3.07 118.16 114.83 1s6i n LYS 17 Ca -0.04 0.05 0.05 0.00 -1.05 0.00 0.00 58.31 57.32 1s6i n LYS 17 Cb 0.61 -1.59 0.41 0.00 -0.65 0.00 0.00 35.03 33.81 1s6i n LYS 17 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1s6i h MET 18 N 0.00 0.58 0.00 -1.58 4.05 0.58 -0.83 114.93 117.74 1s6i h MET 18 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1s6i h MET 18 Cb 0.60 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1s6i h MET 18 CO 0.00 0.38 -0.05 0.82 0.23 0.00 0.00 176.91 178.30 1s6i h ILE 19 N 0.60 0.00 -0.52 1.77 2.04 -1.51 -3.38 117.51 116.50 1s6i h ILE 19 Ca 0.19 -0.79 -0.72 0.00 1.00 0.00 0.00 64.86 64.54 1s6i h ILE 19 Cb 0.02 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.03 1s6i h ILE 19 CO -0.04 0.00 2.88 -0.67 0.00 0.00 0.00 178.15 180.32 1s6i n ASP 20 N -4.19 5.64 0.10 1.72 2.03 -1.10 -4.21 116.55 116.53 1s6i n ASP 20 Ca -0.01 -2.90 0.10 0.00 0.52 0.00 0.00 54.79 52.50 1s6i n ASP 20 Cb 0.02 -1.55 -0.00 0.00 -0.72 0.00 0.00 41.12 38.87 1s6i n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6i h THR 21 N 3.57 0.09 0.00 5.18 1.03 -1.33 -3.41 112.91 118.04 1s6i h THR 21 Ca 0.60 -1.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 1s6i h THR 21 Cb 0.53 1.62 0.00 0.00 -1.07 0.00 0.00 68.15 69.23 1s6i h THR 21 CO 1.75 0.05 0.00 -0.90 -0.01 0.00 0.00 175.52 176.41 1s6i n ASP 22 N -2.74 0.12 0.00 0.00 5.75 -1.26 -4.99 116.55 113.43 1s6i n ASP 22 Ca -0.01 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1s6i n ASP 22 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 -0.03 0.00 -0.05 -1.12 5.15 -1.26 -5.01 115.26 112.94 1s6i n ASN 23 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1s6i n ASN 23 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1s6i n SER 24 N -0.48 0.00 0.00 1.20 3.41 -1.26 -4.97 113.62 111.52 1s6i n SER 24 Ca 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1s6i n SER 24 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s6i n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6i n GLY 25 N 0.00 1.42 3.27 5.00 0.00 -1.26 -5.11 105.19 108.50 1s6i n GLY 25 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.11 -0.39 2.61 -4.23 -1.26 -4.84 115.64 105.64 1s6i s THR 26 Ca 0.00 -1.08 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 1s6i s THR 26 Cb 0.00 -1.41 0.09 0.00 1.34 0.00 0.00 72.50 72.52 1s6i s THR 26 CO 0.00 -0.49 0.18 -0.63 -0.54 0.00 0.00 174.62 173.14 1s6i s ILE 27 N -3.87 3.58 0.24 2.99 1.01 -0.06 -4.50 121.20 120.59 1s6i s ILE 27 Ca 0.07 -1.67 0.09 0.00 0.00 0.00 0.00 60.65 59.14 1s6i s ILE 27 Cb 0.04 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1s6i s ILE 27 CO -0.09 -0.51 -0.01 0.42 0.00 0.00 0.00 174.94 174.75 1s6i s THR 28 N 1.27 3.48 0.48 2.92 -4.23 -1.25 0.15 115.64 118.46 1s6i s THR 28 Ca 0.04 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1s6i s THR 28 Cb -0.22 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1s6i s THR 28 CO -0.01 -0.29 0.72 0.33 -0.54 0.00 0.00 174.62 174.83 1s6i n PHE 29 N -0.63 0.00 0.06 3.99 -0.00 -1.03 0.29 117.46 120.14 1s6i n PHE 29 Ca -0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.16 1s6i n PHE 29 Cb 0.58 -0.00 -0.15 0.00 -0.00 0.00 0.00 39.48 39.91 1s6i n PHE 29 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1s6i h ASP 30 N 0.00 0.54 0.39 -2.13 3.58 -1.92 -3.38 116.42 113.49 1s6i h ASP 30 Ca 0.00 -0.86 -0.31 0.00 0.42 0.00 0.00 57.03 56.28 1s6i h ASP 30 Cb 1.45 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 1s6i h ASP 30 CO -0.00 1.73 -1.81 -0.62 -2.88 0.00 0.00 179.24 175.66 1s6i n GLU 31 N -3.54 0.66 -0.36 0.28 4.71 0.82 -3.99 120.64 119.23 1s6i n GLU 31 Ca -0.24 0.27 0.03 0.00 -0.01 0.00 0.00 57.16 57.21 1s6i n GLU 31 Cb 1.07 -1.76 0.10 0.00 -1.01 0.00 0.00 31.44 29.84 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 0.01 -1.09 -0.32 -4.62 7.12 -0.10 0.58 115.31 116.90 1s6i h LEU 32 Ca -0.33 0.30 -0.19 0.00 0.13 0.00 0.00 57.88 57.79 1s6i h LEU 32 Cb 2.03 0.66 0.00 0.00 -0.53 0.00 0.00 40.66 42.82 1s6i h LEU 32 CO 0.08 -0.31 -0.57 0.07 -0.13 0.00 0.00 178.44 177.58 1s6i h LYS 33 N -0.00 0.83 -0.84 1.25 2.10 -1.75 -3.25 116.57 114.90 1s6i h LYS 33 Ca 0.42 -0.54 0.20 0.00 -2.00 0.00 0.00 60.65 58.73 1s6i h LYS 33 Cb 0.67 0.07 -0.15 0.00 -0.90 0.00 0.00 32.23 31.92 1s6i h LYS 33 CO -0.99 1.17 -0.03 0.22 -2.00 0.00 0.00 179.45 177.81 1s6i h ASP 34 N 0.63 -0.47 -0.81 7.07 1.82 0.01 0.12 116.42 124.78 1s6i h ASP 34 Ca 0.01 0.23 0.19 0.00 -0.39 0.00 0.00 57.03 57.07 1s6i h ASP 34 Cb 1.17 0.42 -0.14 0.00 0.68 0.00 0.00 39.33 41.46 1s6i h ASP 34 CO 0.12 -0.25 0.03 1.23 -1.61 0.00 0.00 179.24 178.76 1s6i h GLY 35 N 0.06 0.96 0.18 -0.78 0.00 -1.43 0.41 103.07 102.47 1s6i h GLY 35 Ca 0.47 0.11 -0.37 0.00 0.00 0.00 0.00 47.33 47.53 1s6i h GLY 35 CO -0.78 -0.33 -2.12 1.04 0.00 0.00 0.00 176.54 174.35 1s6i n LEU 36 N -5.36 2.44 0.29 3.11 7.99 -0.37 -3.38 117.00 121.72 1s6i n LEU 36 Ca 0.16 0.18 0.16 0.00 -0.01 0.00 0.00 56.01 56.50 1s6i n LEU 36 Cb 0.54 -0.96 0.87 0.00 -0.11 0.00 0.00 43.42 43.76 1s6i n LEU 36 CO 0.03 0.71 1.07 0.07 -1.51 0.00 0.00 177.39 177.75 1s6i h LYS 37 N -0.39 0.00 0.00 3.23 2.10 -0.77 0.57 116.57 121.31 1s6i h LYS 37 Ca -0.52 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 57.98 1s6i h LYS 37 Cb 1.76 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.07 1s6i h LYS 37 CO -0.14 0.00 -1.42 -2.13 -2.00 0.00 0.00 179.45 173.77 1s6i n ARG 38 N -2.76 0.62 0.12 0.07 0.63 0.13 -4.24 116.66 111.22 1s6i n ARG 38 Ca -0.02 0.19 -0.20 0.00 -0.92 0.00 0.00 57.85 56.89 1s6i n ARG 38 Cb 0.22 -1.79 -0.15 0.00 0.45 0.00 0.00 32.46 31.19 1s6i n ARG 38 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 1s6i h VAL 39 N 0.00 1.35 0.00 5.15 3.04 0.09 -3.49 116.25 122.39 1s6i h VAL 39 Ca -0.15 -2.86 0.00 0.00 -1.01 0.00 0.00 66.70 62.68 1s6i h VAL 39 Cb 1.52 2.97 0.00 0.00 -2.01 0.00 0.00 31.29 33.77 1s6i h VAL 39 CO 0.04 0.85 0.00 0.61 -1.01 0.00 0.00 177.57 178.06 1s6i n GLY 40 N 1.64 2.57 3.37 3.17 0.00 -0.52 -5.10 105.19 110.32 1s6i n GLY 40 Ca -0.14 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 -0.49 -0.15 1.61 0.01 -1.22 -4.94 113.70 108.53 1s6i s SER 41 Ca 0.00 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.13 1s6i s SER 41 Cb 0.00 -1.31 0.06 0.00 0.21 0.00 0.00 66.02 64.97 1s6i s SER 41 CO 0.00 -5.02 0.09 -1.61 0.41 0.00 0.00 173.24 167.11 1s6i s GLU 42 N -5.04 0.04 0.34 12.44 2.02 -1.26 -4.02 118.70 123.22 1s6i s GLU 42 Ca 0.69 0.03 0.08 0.00 0.02 0.00 0.00 54.97 55.79 1s6i s GLU 42 Cb -0.14 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 1s6i s GLU 42 CO 0.59 -0.60 0.25 -0.51 0.02 0.00 0.00 175.26 175.01 1s6i s LEU 43 N 2.16 3.47 0.30 1.80 1.43 -1.26 -5.07 118.68 121.50 1s6i s LEU 43 Ca 0.03 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 52.61 1s6i s LEU 43 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1s6i s LEU 43 CO -0.08 -0.36 0.06 0.00 0.23 0.00 0.00 176.35 176.20 1s6i s MET 44 N -3.96 2.35 0.28 1.70 0.23 -1.26 -4.99 119.30 113.66 1s6i s MET 44 Ca 0.40 -1.46 0.20 0.00 -1.03 0.00 0.00 55.69 53.80 1s6i s MET 44 Cb -0.04 -2.18 1.04 0.00 -1.53 0.00 0.00 34.83 32.12 1s6i s MET 44 CO 0.25 0.26 1.60 0.39 -2.03 0.00 0.00 175.02 175.50 1s6i n GLU 45 N -1.01 0.13 0.09 3.16 1.02 -1.26 -0.54 120.64 122.23 1s6i n GLU 45 Ca -0.05 0.61 0.12 0.00 -0.02 0.00 0.00 57.16 57.82 1s6i n GLU 45 Cb 0.60 -1.91 0.13 0.00 -0.02 0.00 0.00 31.44 30.24 1s6i n GLU 45 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s6i h SER 46 N 0.00 0.00 0.05 1.62 0.87 -1.98 -3.17 113.55 110.93 1s6i h SER 46 Ca 0.00 -0.11 -0.30 0.00 -1.23 0.00 0.00 61.79 60.15 1s6i h SER 46 Cb 0.02 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1s6i h SER 46 CO 0.00 0.06 -1.62 -0.62 -0.53 0.00 0.00 176.83 174.12 1s6i n GLU 47 N -2.41 0.64 -0.13 2.24 1.02 0.30 -2.79 120.64 119.50 1s6i n GLU 47 Ca 0.02 0.44 -0.05 0.00 -0.02 0.00 0.00 57.16 57.56 1s6i n GLU 47 Cb 0.48 -1.72 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 1s6i n GLU 47 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1s6i h ILE 48 N -0.60 0.50 -0.02 -3.67 5.03 -1.42 0.48 117.51 117.81 1s6i h ILE 48 Ca -0.40 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.30 1s6i h ILE 48 Cb 1.59 0.50 -0.01 0.00 -3.03 0.00 0.00 36.82 35.88 1s6i h ILE 48 CO -0.11 0.00 -0.19 0.50 -0.68 0.00 0.00 178.15 177.66 1s6i h LYS 49 N -0.05 0.04 -0.10 2.37 3.64 -1.72 -2.83 116.57 117.92 1s6i h LYS 49 Ca 0.21 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1s6i h LYS 49 Cb 0.36 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1s6i h LYS 49 CO -0.46 0.23 0.03 0.22 -2.27 0.00 0.00 179.45 177.19 1s6i h ASP 50 N 0.03 0.14 0.03 4.20 3.58 0.05 -2.08 116.42 122.38 1s6i h ASP 50 Ca 0.01 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1s6i h ASP 50 Cb 0.36 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1s6i h ASP 50 CO 0.03 0.32 0.00 -0.07 -2.88 0.00 0.00 179.24 176.63 1s6i h LEU 51 N -0.04 0.00 0.00 2.28 3.38 -0.81 0.30 115.31 120.42 1s6i h LEU 51 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1s6i h LEU 51 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1s6i h LEU 51 CO -0.00 0.00 -0.19 0.24 0.09 0.00 0.00 178.44 178.58 1s6i h MET 52 N 0.00 0.00 0.00 1.13 2.86 -1.36 -0.13 114.93 117.42 1s6i h MET 52 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 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 -0.19 0.38 1.06 0.00 0.00 176.91 178.16 1s6i h ASP 53 N -0.48 0.00 0.50 1.22 3.04 -1.42 0.62 116.42 119.91 1s6i h ASP 53 Ca 0.00 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.54 1s6i h ASP 53 Cb 0.19 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.44 1s6i h ASP 53 CO 0.00 0.19 -1.68 0.00 -2.04 0.00 0.00 179.24 175.71 1s6i n ALA 54 N -2.30 1.67 0.00 4.15 0.00 0.09 -4.46 120.51 119.65 1s6i n ALA 54 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1s6i n ALA 54 Cb 0.31 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1s6i n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n ALA 55 N -2.51 2.39 -1.51 0.00 0.00 -1.00 -4.99 120.51 112.88 1s6i n ALA 55 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 1s6i n ALA 55 Cb 0.98 0.36 -0.08 0.00 0.00 0.00 0.00 19.45 20.72 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 -2.48 1.56 -0.21 0.00 2.03 0.22 -4.49 116.55 113.17 1s6i n ASP 56 Ca 0.00 -0.10 0.31 0.00 0.52 0.00 0.00 54.79 55.52 1s6i n ASP 56 Cb 0.36 -1.29 0.62 0.00 -0.72 0.00 0.00 41.12 40.10 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 7.70 0.16 -0.84 5.18 1.08 -1.81 -0.30 117.51 128.69 1s6i h ILE 57 Ca -0.18 0.00 -0.39 0.00 -0.39 0.00 0.00 64.86 63.90 1s6i h ILE 57 Cb 1.29 0.24 -0.41 0.00 -3.07 0.00 0.00 36.82 34.88 1s6i h ILE 57 CO 1.22 0.00 -1.03 -0.67 -0.69 0.00 0.00 178.15 176.98 1s6i n ASP 58 N -3.61 2.63 -2.72 1.72 2.03 -1.26 -5.06 116.55 110.29 1s6i n ASP 58 Ca 0.22 -2.81 -0.16 0.00 0.52 0.00 0.00 54.79 52.56 1s6i n ASP 58 Cb 1.30 -0.47 -0.13 0.00 -0.72 0.00 0.00 41.12 41.11 1s6i n ASP 58 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1s6i n LYS 59 N -0.43 0.00 -0.19 -0.67 0.00 -0.12 -4.60 118.16 112.14 1s6i n LYS 59 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.56 1s6i n LYS 59 Cb 0.81 -0.66 0.08 0.00 0.00 0.00 0.00 35.03 35.26 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 3.93 1.54 -0.41 3.14 3.41 -1.26 -4.55 113.62 119.42 1s6i n SER 60 Ca 0.41 -2.62 -0.05 0.00 -0.26 0.00 0.00 58.87 56.34 1s6i n SER 60 Cb 0.07 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 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 -0.90 0.76 3.09 5.00 0.00 -1.26 -4.98 105.19 106.90 1s6i n GLY 61 Ca 0.10 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.04 -0.11 -0.13 2.61 2.01 -1.22 -2.46 115.64 114.29 1s6i s THR 62 Ca 0.00 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 1s6i s THR 62 Cb 0.00 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1s6i s THR 62 CO 0.00 0.07 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.25 1s6i s ILE 63 N 1.51 3.20 0.38 1.82 1.01 0.41 -4.85 121.20 124.68 1s6i s ILE 63 Ca -0.07 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.04 1s6i s ILE 63 Cb -0.10 -2.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1s6i s ILE 63 CO -0.09 0.52 0.40 -1.81 0.00 0.00 0.00 174.94 173.96 1s6i s ASP 64 N 0.31 5.37 0.60 3.58 1.11 -1.26 -0.88 116.67 125.50 1s6i s ASP 64 Ca -0.09 -0.53 0.29 0.00 0.18 0.00 0.00 52.55 52.41 1s6i s ASP 64 Cb -0.15 -0.81 1.11 0.00 1.07 0.00 0.00 42.92 44.14 1s6i s ASP 64 CO 0.05 -0.55 1.45 0.22 1.18 0.00 0.00 175.17 177.53 1s6i h TYR 65 N 1.01 0.00 0.00 4.23 3.20 -1.94 0.35 116.97 123.82 1s6i h TYR 65 Ca -0.43 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 1s6i h TYR 65 Cb 1.26 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1s6i h TYR 65 CO 0.49 0.00 -0.09 0.78 -1.64 0.00 0.00 178.16 177.69 1s6i h GLY 66 N 0.00 0.00 1.47 1.82 0.00 -2.00 -3.16 103.07 101.20 1s6i h GLY 66 Ca 0.48 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.84 1s6i h GLY 66 CO -0.01 0.00 0.23 0.83 0.00 0.00 0.00 176.54 177.59 1s6i h GLU 67 N -1.00 0.00 0.26 4.80 5.08 -1.19 -2.28 114.58 120.25 1s6i h GLU 67 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1s6i h GLU 67 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1s6i h GLU 67 CO -0.00 0.00 -0.13 0.35 -1.00 0.00 0.00 179.01 178.23 1s6i h PHE 68 N 0.00 -0.32 -0.34 4.33 3.57 -0.55 -2.33 116.94 121.30 1s6i h PHE 68 Ca 0.06 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1s6i h PHE 68 Cb 0.51 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.28 1s6i h PHE 68 CO 0.00 -0.20 -0.49 0.82 -2.23 0.00 0.00 178.31 176.20 1s6i h ILE 69 N -0.54 0.05 -0.69 1.41 1.08 -1.43 -0.88 117.51 116.51 1s6i h ILE 69 Ca -0.04 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.56 1s6i h ILE 69 Cb 0.27 0.05 -0.13 0.00 -3.07 0.00 0.00 36.82 33.95 1s6i h ILE 69 CO 0.06 0.00 -0.31 0.00 -0.69 0.00 0.00 178.15 177.21 1s6i h ALA 70 N 0.11 0.11 -1.05 1.87 0.00 -1.54 0.52 119.26 119.29 1s6i h ALA 70 Ca 0.09 0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.49 1s6i h ALA 70 Cb 0.61 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 1s6i h ALA 70 CO -0.55 -0.61 0.65 0.00 0.00 0.00 0.00 179.25 178.75 1s6i h ALA 71 N 1.23 2.10 0.00 0.00 0.00 -0.58 1.15 119.26 123.15 1s6i h ALA 71 Ca 0.28 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 55.06 1s6i h ALA 71 Cb 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1s6i h ALA 71 CO -0.75 -0.56 -1.91 -2.37 0.00 0.00 0.00 179.25 173.66 1s6i n THR 72 N -4.75 1.12 0.67 0.00 5.66 0.16 -4.15 114.28 112.99 1s6i n THR 72 Ca 0.27 -0.73 0.12 0.00 -3.05 0.00 0.00 64.05 60.66 1s6i n THR 72 Cb 0.88 -0.55 0.27 0.00 -1.55 0.00 0.00 70.33 69.38 1s6i n THR 72 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1s6i n VAL 73 N -2.75 0.34 -0.08 1.08 0.24 0.16 -3.72 118.33 113.60 1s6i n VAL 73 Ca -0.18 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 1s6i n VAL 73 Cb 0.94 -0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 33.04 1s6i n VAL 73 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1s6i h HIS 74 N 0.00 0.51 0.00 6.34 2.76 0.12 -0.42 115.15 124.45 1s6i h HIS 74 Ca 0.00 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1s6i h HIS 74 Cb 0.69 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1s6i h HIS 74 CO 0.00 0.70 0.00 1.28 -1.30 0.00 0.00 177.93 178.61 1s6i n LEU 75 N -4.56 0.21 -3.56 0.26 7.99 -1.24 -3.36 117.00 112.74 1s6i n LEU 75 Ca -0.04 0.56 -0.27 0.00 -0.01 0.00 0.00 56.01 56.25 1s6i n LEU 75 Cb 0.31 -0.55 -0.09 0.00 -0.11 0.00 0.00 43.42 42.97 1s6i n LEU 75 CO 0.39 -0.44 -0.02 -3.20 -1.51 0.00 0.00 177.39 172.61 1s6i n ASN 76 N -1.75 2.86 0.00 -1.43 5.15 -0.17 -4.86 115.26 115.05 1s6i n ASN 76 Ca 0.02 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 1s6i n ASN 76 Cb 0.14 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 1s6i n ASN 76 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1s6i n LYS 77 N 1.42 0.00 -3.27 1.20 5.02 -1.17 -4.80 118.16 116.56 1s6i n LYS 77 Ca 0.26 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.49 1s6i n LYS 77 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.38 1s6i n LYS 77 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1s6i s LEU 78 N -1.38 -0.95 0.37 -0.35 0.05 -1.26 -5.02 118.68 110.13 1s6i s LEU 78 Ca 0.00 -0.99 0.21 0.00 0.05 0.00 0.00 54.13 53.40 1s6i s LEU 78 Cb 0.00 1.40 1.34 0.00 -2.05 0.00 0.00 46.19 46.88 1s6i s LEU 78 CO 0.00 -0.22 1.57 -1.84 -0.55 0.00 0.00 176.35 175.30 1s6i n GLU 79 N 4.48 -0.06 -1.87 1.48 0.28 -1.26 -4.33 120.64 119.35 1s6i n GLU 79 Ca 0.10 1.37 -0.42 0.00 -0.16 0.00 0.00 57.16 58.05 1s6i n GLU 79 Cb 0.52 -2.46 -0.03 0.00 1.43 0.00 0.00 31.44 30.90 1s6i n GLU 79 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1s6i s ARG 80 N -5.50 4.17 0.36 3.44 1.70 -1.26 -4.99 118.95 116.86 1s6i s ARG 80 Ca -0.09 2.38 0.08 0.00 -0.47 0.00 0.00 55.73 57.63 1s6i s ARG 80 Cb 0.34 -3.87 -0.05 0.00 -0.57 0.00 0.00 34.95 30.80 1s6i s ARG 80 CO 0.77 -0.84 0.11 -1.21 -1.08 0.00 0.00 175.30 173.06 1s6i s GLU 81 N 3.56 2.24 -0.49 3.89 2.02 -1.26 -5.10 118.70 123.56 1s6i s GLU 81 Ca 0.78 -1.69 0.06 0.00 0.02 0.00 0.00 54.97 54.14 1s6i s GLU 81 Cb -0.39 -2.05 0.22 0.00 0.10 0.00 0.00 34.13 32.02 1s6i s GLU 81 CO 0.34 0.06 0.85 -1.91 0.02 0.00 0.00 175.26 174.63 1s6i n GLU 82 N -1.10 0.63 -3.56 1.61 4.07 -1.26 -5.14 120.64 115.89 1s6i n GLU 82 Ca -0.03 -1.77 -0.16 0.00 -0.06 0.00 0.00 57.16 55.14 1s6i n GLU 82 Cb 0.62 -1.36 -0.06 0.00 -0.06 0.00 0.00 31.44 30.58 1s6i n GLU 82 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1s6i s ASN 83 N -0.54 -0.64 0.21 4.31 2.20 -1.26 -5.04 114.94 114.19 1s6i s ASN 83 Ca 0.31 0.85 0.23 0.00 -0.94 0.00 0.00 52.86 53.31 1s6i s ASN 83 Cb 0.14 0.74 0.20 0.00 -2.00 0.00 0.00 41.25 40.32 1s6i s ASN 83 CO -0.16 -0.48 1.25 0.17 -2.94 0.00 0.00 177.10 174.94 1s6i h LEU 84 N 3.45 0.00 -2.01 3.54 -0.00 -2.01 -3.33 115.31 114.96 1s6i h LEU 84 Ca -0.27 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1s6i h LEU 84 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1s6i h LEU 84 CO 0.29 0.04 0.29 -0.37 -0.00 0.00 0.00 178.44 178.69 1s6i h VAL 85 N 0.00 0.00 -0.49 0.15 -1.51 -1.97 -2.57 116.25 109.86 1s6i h VAL 85 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.55 1s6i h VAL 85 Cb 0.90 0.67 -0.10 0.00 -2.13 0.00 0.00 31.29 30.63 1s6i h VAL 85 CO 0.00 0.00 -0.43 0.77 -1.23 0.00 0.00 177.57 176.68 1s6i h SER 86 N 0.00 -1.46 -0.21 4.19 4.64 -1.98 0.31 113.55 119.02 1s6i h SER 86 Ca 0.00 0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1s6i h SER 86 Cb 0.57 0.65 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1s6i h SER 86 CO 0.00 -0.35 -0.12 0.00 -0.87 0.00 0.00 176.83 175.49 1s6i h ALA 87 N 0.51 0.30 0.00 5.18 0.00 -1.78 -2.28 119.26 121.19 1s6i h ALA 87 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1s6i h ALA 87 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1s6i h ALA 87 CO -0.63 0.16 0.60 0.35 0.00 0.00 0.00 179.25 179.73 1s6i h PHE 88 N 0.16 0.00 0.00 0.00 3.57 -1.18 1.02 116.94 120.51 1s6i h PHE 88 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1s6i h PHE 88 Cb 0.62 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 1s6i h PHE 88 CO 0.07 0.00 -0.52 0.77 -2.23 0.00 0.00 178.31 176.40 1s6i h SER 89 N 0.00 0.00 0.21 0.41 0.02 0.09 -3.26 113.55 111.02 1s6i h SER 89 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1s6i h SER 89 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1s6i h SER 89 CO 0.00 0.77 -0.10 0.22 -1.14 0.00 0.00 176.83 176.59 1s6i h TYR 90 N -1.00 -0.26 0.17 3.45 5.03 -0.54 -2.76 116.97 121.07 1s6i h TYR 90 Ca -0.01 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.30 1s6i h TYR 90 Cb 0.52 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.85 1s6i h TYR 90 CO -0.20 -0.16 -0.50 0.74 -1.32 0.00 0.00 178.16 176.72 1s6i h PHE 91 N -0.78 -1.45 -0.42 -3.82 -1.00 0.73 -1.05 116.94 109.16 1s6i h PHE 91 Ca -0.03 0.03 -0.72 0.00 2.81 0.00 0.00 57.97 60.06 1s6i h PHE 91 Cb 0.21 0.61 -0.07 0.00 3.61 0.00 0.00 35.95 40.31 1s6i h PHE 91 CO 0.02 -0.58 2.83 -3.47 -1.61 0.00 0.00 178.31 175.50 1s6i n ASP 92 N -5.33 4.45 0.20 2.17 2.03 -0.61 -4.23 116.55 115.23 1s6i n ASP 92 Ca -0.09 -2.92 0.09 0.00 0.52 0.00 0.00 54.79 52.40 1s6i n ASP 92 Cb 0.40 -1.60 0.49 0.00 -0.72 0.00 0.00 41.12 39.70 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1s6i h LYS 93 N 5.87 0.00 0.00 -0.67 3.64 -0.87 0.65 116.57 125.19 1s6i h LYS 93 Ca 0.53 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.76 1s6i h LYS 93 Cb 0.62 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1s6i h LYS 93 CO 1.80 0.00 -1.95 -0.25 -2.27 0.00 0.00 179.45 176.78 1s6i n ASP 94 N -2.27 0.22 0.00 4.20 8.00 -1.26 -4.50 116.55 120.94 1s6i n ASP 94 Ca -0.01 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1s6i n ASP 94 Cb 0.30 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.62 1s6i n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s6i n GLY 95 N 1.44 1.19 0.37 0.44 0.00 0.23 -4.76 105.19 104.10 1s6i n GLY 95 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.05 1s6i n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s6i h SER 96 N 0.00 0.00 0.00 1.61 4.64 -1.89 -3.43 113.55 114.48 1s6i h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s6i h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s6i h SER 96 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1s6i n GLY 97 N -1.38 0.71 3.22 -0.77 0.00 -1.26 -5.02 105.19 100.69 1s6i n GLY 97 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.40 1.68 -0.28 1.61 1.51 -1.26 -0.32 117.35 118.88 1s6i s TYR 98 Ca 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1s6i s TYR 98 Cb 0.00 -1.01 0.09 0.00 -0.11 0.00 0.00 41.96 40.93 1s6i s TYR 98 CO 0.00 0.07 0.07 0.42 -1.11 0.00 0.00 175.55 175.01 1s6i s ILE 99 N -0.78 0.90 0.53 2.71 1.01 0.49 -4.67 121.20 121.40 1s6i s ILE 99 Ca 0.06 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 1s6i s ILE 99 Cb -0.08 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.73 1s6i s ILE 99 CO 0.01 -0.55 0.95 0.42 0.00 0.00 0.00 174.94 175.78 1s6i s THR 100 N 1.62 4.66 0.28 2.92 -4.23 -1.26 0.12 115.64 119.75 1s6i s THR 100 Ca 0.07 0.92 0.16 0.00 -1.18 0.00 0.00 61.69 61.66 1s6i s THR 100 Cb -0.17 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.15 1s6i s THR 100 CO -0.20 -0.84 1.19 0.00 -0.54 0.00 0.00 174.62 174.22 1s6i n LEU 101 N -2.01 0.26 0.34 4.79 -0.00 -0.46 0.16 117.00 120.08 1s6i n LEU 101 Ca 0.05 1.24 -0.18 0.00 -0.00 0.00 0.00 56.01 57.12 1s6i n LEU 101 Cb 0.54 -0.60 -0.09 0.00 -0.00 0.00 0.00 43.42 43.27 1s6i n LEU 101 CO 0.51 -1.39 0.60 -0.78 -0.00 0.00 0.00 177.39 176.34 1s6i h ASP 102 N 0.00 -1.01 -0.23 1.45 1.82 -1.90 0.14 116.42 116.70 1s6i h ASP 102 Ca 0.64 0.06 0.01 0.00 -0.39 0.00 0.00 57.03 57.36 1s6i h ASP 102 Cb 1.70 0.30 -0.02 0.00 0.68 0.00 0.00 39.33 42.00 1s6i h ASP 102 CO -0.57 -0.60 0.11 -0.33 -1.61 0.00 0.00 179.24 176.23 1s6i h GLU 103 N -0.95 0.22 0.28 0.28 5.08 0.13 0.38 114.58 120.00 1s6i h GLU 103 Ca -0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1s6i h GLU 103 Cb 0.78 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1s6i h GLU 103 CO 0.06 0.15 -0.24 0.82 -1.00 0.00 0.00 179.01 178.79 1s6i h ILE 104 N 0.23 0.00 0.34 3.13 2.04 -0.85 -1.05 117.51 121.35 1s6i h ILE 104 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1s6i h ILE 104 Cb 0.03 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1s6i h ILE 104 CO -0.07 0.00 -0.25 1.56 0.00 0.00 0.00 178.15 179.40 1s6i h GLN 105 N -0.51 -0.54 -1.54 2.37 4.20 -0.71 -2.61 115.11 115.78 1s6i h GLN 105 Ca -0.04 0.04 0.47 0.00 0.06 0.00 0.00 58.65 59.18 1s6i h GLN 105 Cb 0.43 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.24 1s6i h GLN 105 CO -0.01 -0.36 1.06 0.37 -0.67 0.00 0.00 178.83 179.22 1s6i h GLN 106 N -0.56 0.05 0.15 1.46 4.15 -0.31 0.17 115.11 120.22 1s6i h GLN 106 Ca -0.04 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1s6i h GLN 106 Cb 0.46 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1s6i h GLN 106 CO 0.02 0.03 -0.23 0.00 -1.93 0.00 0.00 178.83 176.72 1s6i h ALA 107 N 1.36 -0.85 -2.78 3.38 0.00 -0.78 -3.41 119.26 116.18 1s6i h ALA 107 Ca 0.82 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 55.14 1s6i h ALA 107 Cb 2.95 0.55 0.07 0.00 0.00 0.00 0.00 17.79 21.36 1s6i h ALA 107 CO -0.21 -0.89 0.85 0.00 0.00 0.00 0.00 179.25 179.00 1s6i h LYS 109 N 4.95 0.06 0.00 0.00 3.64 -1.82 -3.37 116.57 120.03 1s6i h LYS 109 Ca -0.47 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1s6i h LYS 109 Cb 1.22 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1s6i h LYS 109 CO 0.79 1.05 0.00 -0.25 -2.27 0.00 0.00 179.45 178.77 1s6i n ASP 110 N -4.25 0.00 -0.17 4.20 8.00 -1.26 -4.06 116.55 119.01 1s6i n ASP 110 Ca -0.30 -0.47 0.29 0.00 0.71 0.00 0.00 54.79 55.02 1s6i n ASP 110 Cb 0.75 -0.17 0.67 0.00 -0.02 0.00 0.00 41.12 42.36 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 -5.07 1.24 -0.00 -1.92 -3.44 116.94 107.75 1s6i h PHE 111 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.97 57.57 1s6i h PHE 111 Cb 0.16 0.00 0.10 0.00 -0.00 0.00 0.00 35.95 36.21 1s6i h PHE 111 CO 0.00 0.00 -0.63 0.41 -0.00 0.00 0.00 178.31 178.09 1s6i n GLY 112 N -1.67 -0.51 2.11 6.09 0.00 -1.26 -4.76 105.19 105.20 1s6i n GLY 112 Ca 0.20 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.45 0.22 -3.82 0.99 0.00 -1.26 -4.83 117.00 103.84 1s6i n LEU 113 Ca -0.05 0.69 -0.08 0.00 0.00 0.00 0.00 56.01 56.57 1s6i n LEU 113 Cb 0.59 -0.54 0.02 0.00 0.00 0.00 0.00 43.42 43.49 1s6i n LEU 113 CO 0.55 -0.93 0.53 -0.62 0.00 0.00 0.00 177.39 176.92 1s6i s ASP 114 N 0.55 -0.05 0.00 1.96 2.15 -1.26 -5.01 116.67 115.01 1s6i s ASP 114 Ca 0.56 -1.03 0.26 0.00 0.43 0.00 0.00 52.55 52.77 1s6i s ASP 114 Cb -0.79 0.82 0.66 0.00 -0.30 0.00 0.00 42.92 43.31 1s6i s ASP 114 CO 0.38 -1.61 1.52 -0.90 -0.17 0.00 0.00 175.17 174.39 1s6i n ASP 115 N -1.22 0.63 -0.04 -0.34 5.68 -1.26 -1.71 116.55 118.29 1s6i n ASP 115 Ca -0.07 -0.42 -0.02 0.00 -0.50 0.00 0.00 54.79 53.77 1s6i n ASP 115 Cb 0.60 0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 40.73 1s6i n ASP 115 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1s6i h ILE 116 N 0.39 0.00 0.00 2.12 6.09 -1.97 -3.40 117.51 120.74 1s6i h ILE 116 Ca 0.00 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1s6i h ILE 116 Cb 0.49 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.78 1s6i h ILE 116 CO 0.00 0.00 -0.18 1.57 -3.07 0.00 0.00 178.15 176.47 1s6i n HIS 117 N -3.50 0.20 0.28 2.19 -0.00 -1.26 -3.90 115.22 109.23 1s6i n HIS 117 Ca -0.03 0.09 0.13 0.00 0.46 0.00 0.00 57.72 58.37 1s6i n HIS 117 Cb 0.12 -0.33 0.64 0.00 -0.12 0.00 0.00 29.99 30.29 1s6i n HIS 117 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1s6i h ILE 118 N -0.29 0.05 0.05 3.57 5.03 -1.87 0.11 117.51 124.15 1s6i h ILE 118 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1s6i h ILE 118 Cb 0.18 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 34.49 1s6i h ILE 118 CO 0.00 0.00 -0.02 -0.78 -0.68 0.00 0.00 178.15 176.67 1s6i h ASP 119 N 0.00 -0.05 0.00 1.72 1.82 -1.53 -2.88 116.42 115.49 1s6i h ASP 119 Ca 0.04 -0.62 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1s6i h ASP 119 Cb 1.06 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1s6i h ASP 119 CO -0.00 0.67 0.05 -0.78 -1.61 0.00 0.00 179.24 177.58 1s6i h ASP 120 N -0.87 0.00 -0.21 2.28 3.58 -0.95 0.43 116.42 120.68 1s6i h ASP 120 Ca -0.01 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1s6i h ASP 120 Cb 0.67 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 1s6i h ASP 120 CO 0.01 0.00 -0.13 -0.03 -2.88 0.00 0.00 179.24 176.21 1s6i h MET 121 N 0.00 0.46 -0.96 0.28 4.05 -1.13 1.46 114.93 119.09 1s6i h MET 121 Ca 0.00 -0.21 0.18 0.00 -0.28 0.00 0.00 59.70 59.39 1s6i h MET 121 Cb 0.11 -0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 30.80 1s6i h MET 121 CO 0.00 0.76 0.55 0.82 0.23 0.00 0.00 176.91 179.27 1s6i h ILE 122 N 0.15 0.71 0.00 1.77 2.04 -0.70 1.60 117.51 123.08 1s6i h ILE 122 Ca 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1s6i h ILE 122 Cb 0.64 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1s6i h ILE 122 CO 0.04 0.13 -0.46 0.29 0.00 0.00 0.00 178.15 178.15 1s6i n LYS 123 N -4.80 0.23 0.15 2.37 4.01 -1.03 -0.90 118.16 118.18 1s6i n LYS 123 Ca 0.21 0.09 0.09 0.00 -0.51 0.00 0.00 58.31 58.19 1s6i n LYS 123 Cb 0.53 -1.67 0.07 0.00 -0.51 0.00 0.00 35.03 33.45 1s6i n LYS 123 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1s6i h GLU 124 N 0.00 0.00 0.00 1.97 4.57 1.27 -3.33 114.58 119.06 1s6i h GLU 124 Ca 0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 1s6i h GLU 124 Cb 0.69 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 1s6i h GLU 124 CO 0.00 0.11 -2.02 -0.89 -1.18 0.00 0.00 179.01 175.04 1s6i n ILE 125 N -2.98 1.02 -1.54 2.32 5.41 0.29 -4.88 119.36 119.00 1s6i n ILE 125 Ca 0.01 -0.54 -0.28 0.00 1.00 0.00 0.00 62.75 62.95 1s6i n ILE 125 Cb 0.60 -0.82 -0.08 0.00 -0.71 0.00 0.00 39.64 38.63 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 -2.73 1.42 -0.01 4.38 2.03 -0.08 -4.74 116.55 116.83 1s6i n ASP 126 Ca -0.27 -0.73 0.13 0.00 0.52 0.00 0.00 54.79 54.43 1s6i n ASP 126 Cb 0.93 -1.40 0.34 0.00 -0.72 0.00 0.00 41.12 40.27 1s6i n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6i n GLN 127 N 8.47 0.03 0.00 -0.67 6.02 -1.26 -4.54 117.38 125.43 1s6i n GLN 127 Ca 0.48 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1s6i n GLN 127 Cb 0.39 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1s6i n GLN 127 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1s6i n ASP 128 N -1.47 3.12 0.00 1.08 -0.08 -1.26 0.10 116.55 118.04 1s6i n ASP 128 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1s6i n ASP 128 Cb 0.34 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1s6i n ASP 128 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1s6i n ASN 129 N -1.67 0.00 0.28 1.67 2.04 -1.26 -4.94 115.26 111.37 1s6i n ASN 129 Ca 0.00 0.00 0.14 0.00 -0.44 0.00 0.00 54.58 54.28 1s6i n ASN 129 Cb 0.33 0.00 0.80 0.00 -2.53 0.00 0.00 39.78 38.39 1s6i n ASN 129 CO 0.00 0.00 0.00 -0.78 -0.44 0.00 0.00 177.26 176.04 1s6i h ASP 130 N 0.00 0.00 -0.17 0.53 1.82 -1.96 -3.46 116.42 113.18 1s6i h ASP 130 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1s6i h ASP 130 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1s6i h ASP 130 CO 0.00 0.08 0.00 0.61 -1.61 0.00 0.00 179.24 178.32 1s6i n GLY 131 N -0.80 1.18 3.21 -0.78 0.00 -1.26 -4.84 105.19 101.91 1s6i n GLY 131 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 1s6i n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s6i s GLN 132 N -1.42 1.16 -0.05 1.61 -2.07 -1.26 -1.35 119.66 116.28 1s6i s GLN 132 Ca 0.00 -1.59 0.02 0.00 -1.82 0.00 0.00 55.36 51.97 1s6i s GLN 132 Cb 0.00 0.09 0.01 0.00 -1.09 0.00 0.00 33.01 32.02 1s6i s GLN 132 CO 0.00 -0.30 -0.10 0.42 -1.32 0.00 0.00 175.29 173.99 1s6i s ILE 133 N -3.98 0.91 0.30 3.63 -1.09 0.32 -4.24 121.20 117.04 1s6i s ILE 133 Ca 0.33 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.45 1s6i s ILE 133 Cb 0.07 -0.85 -0.02 0.00 -1.58 0.00 0.00 42.46 40.08 1s6i s ILE 133 CO 0.08 0.30 0.34 -0.62 -1.23 0.00 0.00 174.94 173.81 1s6i s ASP 134 N 0.63 5.75 0.41 3.58 -1.08 -1.26 0.18 116.67 124.87 1s6i s ASP 134 Ca -0.12 -0.24 0.24 0.00 -0.52 0.00 0.00 52.55 51.91 1s6i s ASP 134 Cb -0.14 -1.32 1.29 0.00 -1.46 0.00 0.00 42.92 41.29 1s6i s ASP 134 CO 0.02 -0.26 1.66 0.22 0.52 0.00 0.00 175.17 177.33 1s6i h TYR 135 N 1.18 0.66 0.14 -5.34 3.20 -0.93 1.02 116.97 116.90 1s6i h TYR 135 Ca -0.47 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.13 1s6i h TYR 135 Cb 1.25 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1s6i h TYR 135 CO 0.49 -0.17 -1.42 0.78 -1.64 0.00 0.00 178.16 176.19 1s6i h GLY 136 N 0.18 0.34 0.96 1.82 0.00 -1.83 -2.91 103.07 101.63 1s6i h GLY 136 Ca 0.76 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 1s6i h GLY 136 CO -0.46 0.76 -0.35 0.83 0.00 0.00 0.00 176.54 177.32 1s6i h GLU 137 N 0.08 -0.95 -0.96 4.80 5.08 0.14 0.26 114.58 123.04 1s6i h GLU 137 Ca -0.21 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1s6i h GLU 137 Cb 2.02 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 31.41 1s6i h GLU 137 CO 0.19 -0.62 0.61 0.35 -1.00 0.00 0.00 179.01 178.55 1s6i h PHE 138 N -1.04 1.07 0.00 4.33 3.57 -0.35 0.14 116.94 124.66 1s6i h PHE 138 Ca -0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1s6i h PHE 138 Cb 0.77 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1s6i h PHE 138 CO -0.01 0.47 -0.14 0.00 -2.23 0.00 0.00 178.31 176.39 1s6i h ALA 139 N 1.53 1.27 0.07 2.41 0.00 -1.27 -2.81 119.26 120.47 1s6i h ALA 139 Ca 0.46 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.94 1s6i h ALA 139 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1s6i h ALA 139 CO -0.22 0.18 -1.60 0.00 0.00 0.00 0.00 179.25 177.62 1s6i h ALA 140 N 1.86 0.32 -0.17 0.00 0.00 0.13 -3.07 119.26 118.33 1s6i h ALA 140 Ca -0.00 -1.27 0.02 0.00 0.00 0.00 0.00 54.91 53.66 1s6i h ALA 140 Cb 0.40 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1s6i h ALA 140 CO 0.02 0.98 0.11 0.00 0.00 0.00 0.00 179.25 180.37 1s6i h MET 141 N -0.43 0.15 0.00 0.00 -0.00 -0.93 -1.42 114.93 112.31 1s6i h MET 141 Ca -0.37 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.70 59.11 1s6i h MET 141 Cb 1.69 -0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 33.23 1s6i h MET 141 CO -0.04 0.10 -1.30 1.98 -0.00 0.00 0.00 176.91 177.65 1s6i h MET 142 N 0.16 0.00 0.00 -0.10 -1.53 -1.67 -3.47 114.93 108.32 1s6i h MET 142 Ca 0.07 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.33 1s6i h MET 142 Cb 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1s6i h MET 142 CO -0.01 0.53 0.00 0.54 0.14 0.00 0.00 176.91 178.11 1s6i n ARG 143 N -3.08 0.00 -2.49 0.39 1.74 -0.54 -5.09 116.66 107.59 1s6i n ARG 143 Ca -0.08 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 1s6i n ARG 143 Cb 0.92 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.44 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 0.00 1.26 0.00 5.56 4.76 -1.18 -4.85 118.16 123.71 1s6i n LYS 144 Ca 0.00 -1.84 0.15 0.00 -2.87 0.00 0.00 58.31 53.75 1s6i n LYS 144 Cb 0.00 -0.13 0.83 0.00 -1.84 0.00 0.00 35.03 33.89 1s6i n LYS 144 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1s6i n ARG 145 N -1.04 0.73 -2.75 1.97 3.00 -1.26 -4.81 116.66 112.50 1s6i n ARG 145 Ca -0.11 0.01 -0.41 0.00 -0.00 0.00 0.00 57.85 57.34 1s6i n ARG 145 Cb 0.85 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.76 1s6i n ARG 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1s6i s LYS 146 N -2.24 4.75 0.00 -0.14 -2.85 -1.26 -4.96 119.74 113.05 1s6i s LYS 146 Ca 0.38 1.45 -0.25 0.00 -1.00 0.00 0.00 55.97 56.55 1s6i s LYS 146 Cb 0.20 -3.34 -0.18 0.00 -2.06 0.00 0.00 37.83 32.45 1s6i s LYS 146 CO 0.39 0.33 1.34 0.78 0.10 0.00 0.00 175.35 178.29 1s6i h GLY 147 N 5.05 -0.09 -4.83 0.59 0.00 -1.83 -3.45 103.07 98.52 1s6i h GLY 147 Ca -0.44 0.03 -0.42 0.00 0.00 0.00 0.00 47.33 46.51 1s6i h GLY 147 CO 0.70 -0.03 -0.79 0.21 0.00 0.00 0.00 176.54 176.64 1s6i s ASN 148 N -5.47 1.47 0.67 0.19 2.47 -1.26 -5.02 114.94 107.99 1s6i s ASN 148 Ca -0.15 -0.40 0.40 0.00 0.42 0.00 0.00 52.86 53.12 1s6i s ASN 148 Cb 0.03 -0.10 2.16 0.00 -1.45 0.00 0.00 41.25 41.89 1s6i s ASN 148 CO 0.64 0.03 2.22 1.23 -3.72 0.00 0.00 177.10 177.50 1s6i h GLY 149 N 5.11 0.00 0.99 1.21 0.00 -1.98 -1.91 103.07 106.50 1s6i h GLY 149 Ca -0.36 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 1s6i h GLY 149 CO 0.45 0.00 -0.43 -1.33 0.00 0.00 0.00 176.54 175.22 1s6i h GLY 150 N 0.00 0.76 -5.25 4.60 0.00 -1.95 -3.44 103.07 97.78 1s6i h GLY 150 Ca 0.00 -0.89 -0.58 0.00 0.00 0.00 0.00 47.33 45.86 1s6i h GLY 150 CO -0.00 0.80 -0.84 -0.42 0.00 0.00 0.00 176.54 176.08 1s6i s ILE 151 N -4.08 1.52 0.00 2.60 1.01 -0.72 -4.51 121.20 117.03 1s6i s ILE 151 Ca -0.12 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1s6i s ILE 151 Cb 0.08 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1s6i s ILE 151 CO 0.85 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.83 1s6i n GLY 152 N 3.16 0.89 2.64 6.18 0.00 0.11 -3.98 105.19 114.19 1s6i n GLY 152 Ca -0.18 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1s6i n GLY 152 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6i s ARG 153 N 0.47 1.52 0.05 1.61 1.81 -1.26 -4.65 118.95 118.50 1s6i s ARG 153 Ca 0.00 -2.50 0.03 0.00 -1.72 0.00 0.00 55.73 51.54 1s6i s ARG 153 Cb 0.00 -2.31 -0.04 0.00 -0.45 0.00 0.00 34.95 32.15 1s6i s ARG 153 CO 0.00 -1.30 0.03 0.50 -0.68 0.00 0.00 175.30 173.86 1s6i s ARG 154 N -0.38 2.77 0.60 3.54 3.52 -1.26 -2.08 118.95 125.66 1s6i s ARG 154 Ca 0.26 -0.70 0.34 0.00 -0.13 0.00 0.00 55.73 55.51 1s6i s ARG 154 Cb -0.06 -2.67 1.88 0.00 -1.56 0.00 0.00 34.95 32.54 1s6i s ARG 154 CO -0.14 0.58 2.05 1.15 -0.81 0.00 0.00 175.30 178.13 1s6i h THR 155 N 2.98 0.00 -0.50 4.11 2.02 -1.95 -0.95 112.91 118.62 1s6i h THR 155 Ca -0.48 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 1s6i h THR 155 Cb 1.17 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1s6i h THR 155 CO 0.61 0.00 -0.17 -0.03 0.37 0.00 0.00 175.52 176.30 1s6i h MET 156 N 0.00 1.01 0.00 6.66 -1.53 -2.02 -3.37 114.93 115.68 1s6i h MET 156 Ca 0.00 -0.41 0.00 0.00 -3.44 0.00 0.00 59.70 55.85 1s6i h MET 156 Cb 0.28 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 1s6i h MET 156 CO 0.00 1.09 -0.09 0.00 0.14 0.00 0.00 176.91 178.06 1s6i h ARG 157 N 0.87 0.00 -2.32 0.39 2.47 -1.60 -3.49 114.38 110.71 1s6i h ARG 157 Ca 0.12 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 1s6i h ARG 157 Cb 0.75 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 28.84 1s6i h ARG 157 CO 0.06 0.00 -0.08 0.21 0.56 0.00 0.00 179.97 180.72 1s6i s LYS 158 N -1.35 0.62 -0.16 0.04 2.47 -0.97 -5.05 119.74 115.35 1s6i s LYS 158 Ca -0.02 0.91 0.17 0.00 -1.56 0.00 0.00 55.97 55.46 1s6i s LYS 158 Cb 0.00 0.21 0.44 0.00 -1.46 0.00 0.00 37.83 37.02 1s6i s LYS 158 CO 0.04 -0.11 1.18 -2.37 0.16 0.00 0.00 175.35 174.25 1s6i n THR 159 N 3.47 1.38 -3.09 3.43 5.66 -1.26 -4.44 114.28 119.43 1s6i n THR 159 Ca -0.17 -2.59 -0.45 0.00 -3.05 0.00 0.00 64.05 57.79 1s6i n THR 159 Cb 0.57 0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 69.58 1s6i n THR 159 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1s6i s LEU 160 N -2.27 5.68 -0.29 1.09 2.96 -1.26 -4.90 118.68 119.69 1s6i s LEU 160 Ca 0.37 -2.20 -0.02 0.00 -0.22 0.00 0.00 54.13 52.06 1s6i s LEU 160 Cb 0.38 -2.32 0.19 0.00 0.50 0.00 0.00 46.19 44.94 1s6i s LEU 160 CO -0.08 -0.90 0.78 0.54 -1.32 0.00 0.00 176.35 175.37 1s6i s ASN 161 N 3.11 -1.12 -0.42 3.68 4.22 -1.26 -5.09 114.94 118.05 1s6i s ASN 161 Ca 0.25 0.20 0.04 0.00 -2.14 0.00 0.00 52.86 51.21 1s6i s ASN 161 Cb -0.09 1.74 0.17 0.00 1.28 0.00 0.00 41.25 44.35 1s6i s ASN 161 CO -0.08 -0.21 0.34 -0.22 -2.04 0.00 0.00 177.10 174.90 1s6i s LEU 162 N 2.88 1.53 -0.09 3.54 1.98 -1.26 -5.09 118.68 122.17 1s6i s LEU 162 Ca 0.16 -3.03 -0.05 0.00 -2.89 0.00 0.00 54.13 48.32 1s6i s LEU 162 Cb -0.08 -0.49 0.04 0.00 0.66 0.00 0.00 46.19 46.33 1s6i s LEU 162 CO -0.24 -0.18 0.22 -0.13 -1.89 0.00 0.00 176.35 174.14 1s6i s ARG 163 N 0.07 0.18 -0.21 1.98 1.81 -1.26 -5.11 118.95 116.41 1s6i s ARG 163 Ca 0.31 0.47 -0.28 0.00 -1.72 0.00 0.00 55.73 54.51 1s6i s ARG 163 Cb 0.01 -0.11 -0.05 0.00 -0.45 0.00 0.00 34.95 34.36 1s6i s ARG 163 CO -0.18 -0.15 2.04 -0.51 -0.68 0.00 0.00 175.30 175.82 1s6i s ASP 164 N 1.13 5.75 0.21 0.23 1.01 -1.26 -4.96 116.67 118.78 1s6i s ASP 164 Ca -0.08 1.83 0.08 0.00 0.71 0.00 0.00 52.55 55.09 1s6i s ASP 164 Cb -0.10 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1s6i s ASP 164 CO -0.07 -1.73 -0.15 0.00 0.21 0.00 0.00 175.17 173.42 1s6i s ALA 165 N 7.25 2.11 -0.02 5.23 0.00 -1.26 -5.04 121.76 130.04 1s6i s ALA 165 Ca 0.92 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1s6i s ALA 165 Cb -0.31 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1s6i s ALA 165 CO 0.35 0.10 0.87 1.47 0.00 0.00 0.00 175.76 178.55 1s6i n LEU 166 N -0.40 1.33 0.00 0.00 -0.00 -1.26 -5.12 117.00 111.55 1s6i n LEU 166 Ca -0.08 -1.48 0.00 0.00 -0.00 0.00 0.00 56.01 54.45 1s6i n LEU 166 Cb 0.60 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1s6i n LEU 166 CO 0.35 0.36 0.00 0.61 -0.00 0.00 0.00 177.39 178.71 1s6i n GLY 167 N -0.43 0.61 3.98 1.47 0.00 -1.26 -4.95 105.19 104.61 1s6i n GLY 167 Ca 0.02 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 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 2.97 0.08 0.99 2.01 -1.26 -5.06 118.68 118.41 1s6i s LEU 168 Ca 0.00 -0.22 -0.29 0.00 0.01 0.00 0.00 54.13 53.64 1s6i s LEU 168 Cb 0.00 -2.17 -0.05 0.00 0.01 0.00 0.00 46.19 43.98 1s6i s LEU 168 CO 0.00 -1.86 0.91 0.54 1.01 0.00 0.00 176.35 176.95 1s6i s VAL 169 N -3.18 4.60 0.52 -1.59 0.11 -1.26 -5.06 120.40 114.53 1s6i s VAL 169 Ca 0.66 1.95 0.04 0.00 -2.93 0.00 0.00 61.98 61.69 1s6i s VAL 169 Cb -0.06 -4.26 0.01 0.00 -1.53 0.00 0.00 36.38 30.54 1s6i s VAL 169 CO 0.45 0.32 0.24 -1.81 -3.33 0.00 0.00 175.10 170.96 1s6i s ASP 170 N 0.07 4.43 -0.40 3.54 1.01 -1.26 -5.03 116.67 119.03 1s6i s ASP 170 Ca 0.45 -1.38 0.03 0.00 0.71 0.00 0.00 52.55 52.36 1s6i s ASP 170 Cb -0.22 0.38 0.57 0.00 1.01 0.00 0.00 42.92 44.65 1s6i s ASP 170 CO 0.28 -0.96 1.81 0.59 0.21 0.00 0.00 175.17 177.09 1s6i n ASN 171 N -1.54 3.91 -3.63 0.27 3.02 -1.26 -4.84 115.26 111.20 1s6i n ASN 171 Ca -0.08 -3.41 -0.03 0.00 -0.03 0.00 0.00 54.58 51.04 1s6i n ASN 171 Cb 0.65 -0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 1s6i n ASN 171 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1s6i s GLY 172 N -1.01 -0.63 -0.02 7.41 0.00 -1.26 -5.03 107.32 106.79 1s6i s GLY 172 Ca 0.50 2.47 0.08 0.00 0.00 0.00 0.00 44.72 47.77 1s6i s GLY 172 CO 0.09 2.86 0.16 -1.14 0.00 0.00 0.00 173.10 175.06 1s6i n SER 173 N 4.98 3.13 -3.94 1.64 3.41 -1.26 -5.03 113.62 116.54 1s6i n SER 173 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.37 1s6i n SER 173 Cb 0.53 1.29 -0.11 0.00 -0.26 0.00 0.00 64.21 65.66 1s6i n SER 173 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1s6i s ASN 174 N -3.07 0.17 -0.29 4.04 2.47 -1.26 -5.13 114.94 111.87 1s6i s ASN 174 Ca -0.03 -0.40 -0.22 0.00 0.42 0.00 0.00 52.86 52.63 1s6i s ASN 174 Cb 0.05 0.13 -0.01 0.00 -1.45 0.00 0.00 41.25 39.97 1s6i s ASN 174 CO 0.34 -0.31 0.71 -1.10 -3.72 0.00 0.00 177.10 173.02 1s6i s GLN 175 N -1.38 3.98 -0.11 0.43 1.11 -1.26 -5.04 119.66 117.38 1s6i s GLN 175 Ca -0.15 0.51 0.02 0.00 0.01 0.00 0.00 55.36 55.74 1s6i s GLN 175 Cb -0.09 -3.71 0.01 0.00 -1.01 0.00 0.00 33.01 28.21 1s6i s GLN 175 CO -0.00 -0.59 -0.16 0.08 0.01 0.00 0.00 175.29 174.62 1s6i s VAL 176 N 2.76 1.61 0.30 1.09 1.01 -1.26 -5.12 120.40 120.78 1s6i s VAL 176 Ca 0.29 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1s6i s VAL 176 Cb -0.15 -1.46 -0.10 0.00 0.00 0.00 0.00 36.38 34.68 1s6i s VAL 176 CO 0.11 0.46 0.95 -0.63 0.00 0.00 0.00 175.10 175.99 1s6i s ILE 177 N 0.96 4.14 -0.61 2.22 1.01 -1.26 -4.98 121.20 122.67 1s6i s ILE 177 Ca -0.07 1.87 -0.27 0.00 0.00 0.00 0.00 60.65 62.18 1s6i s ILE 177 Cb -0.15 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1s6i s ILE 177 CO -0.02 0.24 1.44 -1.61 0.00 0.00 0.00 174.94 174.99 1s6i s GLU 178 N -1.81 3.19 0.00 2.79 8.01 -1.26 -4.53 118.70 125.09 1s6i s GLU 178 Ca 0.48 0.30 0.00 0.00 0.01 0.00 0.00 54.97 55.76 1s6i s GLU 178 Cb -0.21 -4.17 0.00 0.00 -4.31 0.00 0.00 34.13 25.44 1s6i s GLU 178 CO 0.27 -2.09 0.00 0.41 0.01 0.00 0.00 175.26 173.86 1s6i n GLY 179 N 5.34 0.00 1.04 -1.39 0.00 -1.26 -4.87 105.19 104.05 1s6i n GLY 179 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 1s6i n GLY 179 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s6i n TYR 180 N -0.35 0.49 -1.31 1.61 4.02 -1.26 -4.35 117.16 116.01 1s6i n TYR 180 Ca 0.00 -0.29 -0.26 0.00 -0.01 0.00 0.00 57.90 57.34 1s6i n TYR 180 Cb 0.00 -0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.46 1s6i n TYR 180 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1s6i n PHE 181 N 1.30 2.94 -0.49 -0.72 3.01 -1.26 -5.28 117.46 116.96 1s6i n PHE 181 Ca 0.18 -2.24 0.00 0.00 1.01 0.00 0.00 57.45 56.39 1s6i n PHE 181 Cb 0.55 -1.06 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 1s6i n PHE 181 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40