#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 1.03 0.15 0.00 -1.05 -1.26 -5.17 118.70 112.40 1s6i s GLU 2 Ca 0.00 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 1s6i s GLU 2 Cb 0.00 -0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.41 1s6i s GLU 2 CO 0.00 -0.08 0.00 2.89 0.95 0.00 0.00 175.26 179.02 1s6i n ARG 3 N -0.18 1.63 0.00 -4.83 0.00 -1.26 -5.07 116.66 106.95 1s6i n ARG 3 Ca -0.08 -1.08 0.00 0.00 -0.00 0.00 0.00 57.85 56.69 1s6i n ARG 3 Cb 0.62 0.28 0.00 0.00 -0.00 0.00 0.00 32.46 33.37 1s6i n ARG 3 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1s6i n LEU 4 N 0.00 0.00 0.20 2.89 -0.00 -1.26 -5.03 117.00 113.79 1s6i n LEU 4 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 1s6i n LEU 4 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1s6i n LEU 4 CO 0.10 0.18 0.00 -1.54 -0.00 0.00 0.00 177.39 176.13 1s6i n SER 5 N 0.00 -3.51 -3.67 1.45 3.41 -1.26 -5.11 113.62 104.93 1s6i n SER 5 Ca 0.00 0.76 -0.27 0.00 -0.26 0.00 0.00 58.87 59.10 1s6i n SER 5 Cb 0.19 3.34 -0.17 0.00 -0.26 0.00 0.00 64.21 67.31 1s6i n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1s6i s GLU 6 N -1.80 0.37 -0.18 4.33 2.02 -1.26 -4.99 118.70 117.19 1s6i s GLU 6 Ca 0.00 -0.28 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 1s6i s GLU 6 Cb 0.00 -1.96 -0.21 0.00 0.10 0.00 0.00 34.13 32.05 1s6i s GLU 6 CO 0.00 -0.67 0.29 1.49 0.02 0.00 0.00 175.26 176.39 1s6i h GLU 7 N 8.33 0.06 0.00 1.61 4.81 -1.99 -3.16 114.58 124.24 1s6i h GLU 7 Ca -0.16 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 1s6i h GLU 7 Cb 1.13 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1s6i h GLU 7 CO 0.32 1.05 -0.57 1.49 -0.73 0.00 0.00 179.01 180.57 1s6i h GLU 8 N -0.78 0.00 0.00 1.92 4.81 -2.04 -3.37 114.58 115.13 1s6i h GLU 8 Ca -0.34 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1s6i h GLU 8 Cb 1.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.82 1s6i h GLU 8 CO -0.13 0.35 -0.13 0.82 -0.73 0.00 0.00 179.01 179.18 1s6i h ILE 9 N -1.00 0.64 -1.83 2.32 1.08 -1.97 -3.44 117.51 113.32 1s6i h ILE 9 Ca -0.09 -0.56 -0.49 0.00 -0.39 0.00 0.00 64.86 63.33 1s6i h ILE 9 Cb 0.67 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.74 1s6i h ILE 9 CO -0.06 0.13 -0.44 -0.83 -0.69 0.00 0.00 178.15 176.27 1s6i s GLY 10 N -4.20 1.78 0.00 5.37 0.00 -1.19 -4.62 107.32 104.46 1s6i s GLY 10 Ca -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1s6i s GLY 10 CO 0.60 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.74 1s6i n GLY 11 N -1.40 2.39 0.17 0.20 0.00 -1.26 -4.52 105.19 100.77 1s6i n GLY 11 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.36 0.11 0.99 3.38 -1.88 -0.74 115.31 117.53 1s6i h LEU 12 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1s6i h LEU 12 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1s6i h LEU 12 CO 0.00 0.90 -0.05 0.50 0.09 0.00 0.00 178.44 179.88 1s6i h LYS 13 N 0.23 -0.15 0.00 1.13 3.64 -1.90 0.49 116.57 120.00 1s6i h LYS 13 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s6i h LYS 13 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1s6i h LYS 13 CO 0.10 0.10 0.00 1.49 -2.27 0.00 0.00 179.45 178.88 1s6i h GLU 14 N -0.39 0.00 0.25 1.90 4.81 -1.97 -1.62 114.58 117.57 1s6i h GLU 14 Ca -0.02 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.88 1s6i h GLU 14 Cb 0.32 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.74 1s6i h GLU 14 CO 0.03 0.00 -1.45 1.25 -0.73 0.00 0.00 179.01 178.10 1s6i h LEU 15 N 0.00 0.83 -0.66 1.64 7.12 -0.12 0.27 115.31 124.39 1s6i h LEU 15 Ca 0.00 -0.92 0.05 0.00 0.13 0.00 0.00 57.88 57.14 1s6i h LEU 15 Cb 0.25 -0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.06 1s6i h LEU 15 CO 0.00 1.70 0.38 0.15 -0.13 0.00 0.00 178.44 180.54 1s6i h PHE 16 N 0.11 0.70 0.00 1.25 3.57 0.90 0.29 116.94 123.76 1s6i h PHE 16 Ca -0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1s6i h PHE 16 Cb 2.14 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.66 1s6i h PHE 16 CO 0.13 0.36 -0.11 0.36 -2.23 0.00 0.00 178.31 176.82 1s6i n LYS 17 N -4.76 0.14 -0.12 1.11 2.85 -0.96 -3.12 118.16 113.30 1s6i n LYS 17 Ca 0.08 0.10 -0.12 0.00 -1.05 0.00 0.00 58.31 57.32 1s6i n LYS 17 Cb 0.14 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 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 0.71 0.76 -1.58 4.05 0.17 -3.17 114.93 115.87 1s6i h MET 18 Ca 0.00 -0.29 -0.04 0.00 -0.28 0.00 0.00 59.70 59.09 1s6i h MET 18 Cb 0.63 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1s6i h MET 18 CO 0.00 0.89 -0.37 0.82 0.23 0.00 0.00 176.91 178.48 1s6i h ILE 19 N 0.49 0.20 -0.78 1.77 2.04 -1.15 -3.32 117.51 116.76 1s6i h ILE 19 Ca 0.08 -0.09 -0.48 0.00 1.00 0.00 0.00 64.86 65.37 1s6i h ILE 19 Cb 0.66 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1s6i h ILE 19 CO 0.04 0.01 1.41 -0.62 0.00 0.00 0.00 178.15 178.99 1s6i s ASP 20 N -4.33 5.89 0.17 1.72 2.15 -1.20 -3.94 116.67 117.13 1s6i s ASP 20 Ca -0.18 -1.61 0.20 0.00 0.43 0.00 0.00 52.55 51.40 1s6i s ASP 20 Cb 0.03 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1s6i s ASP 20 CO 0.58 -2.12 1.01 0.00 -0.17 0.00 0.00 175.17 174.47 1s6i h THR 21 N 6.40 0.21 0.00 1.71 1.03 -1.68 -3.42 112.91 117.16 1s6i h THR 21 Ca 0.25 -1.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.24 1s6i h THR 21 Cb 0.95 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 1s6i h THR 21 CO 1.33 0.12 0.00 -0.90 -0.01 0.00 0.00 175.52 176.07 1s6i n ASP 22 N -2.80 0.03 0.00 0.00 5.68 -1.26 -5.00 116.55 113.20 1s6i n ASP 22 Ca -0.03 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 1s6i n ASP 22 Cb 0.66 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.68 1s6i n ASP 22 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1s6i n ASN 23 N -0.04 0.00 -0.01 -1.12 4.05 -1.26 -4.99 115.26 111.89 1s6i n ASN 23 Ca 0.00 0.05 0.00 0.00 0.45 0.00 0.00 54.58 55.08 1s6i n ASN 23 Cb 0.10 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.11 1s6i n ASN 23 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1s6i n SER 24 N -0.12 0.00 0.00 1.20 3.41 -1.26 -4.96 113.62 111.88 1s6i n SER 24 Ca 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 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 1.88 3.11 5.00 0.00 -1.26 -5.12 105.19 108.79 1s6i n GLY 25 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.36 2.61 -4.23 -1.26 -4.75 115.64 105.75 1s6i s THR 26 Ca 0.00 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1s6i s THR 26 Cb 0.00 -0.62 0.08 0.00 1.34 0.00 0.00 72.50 73.31 1s6i s THR 26 CO 0.00 -0.48 0.11 -0.63 -0.54 0.00 0.00 174.62 173.08 1s6i s ILE 27 N -1.91 3.07 0.25 2.99 1.01 0.13 -4.49 121.20 122.24 1s6i s ILE 27 Ca -0.11 -1.81 0.06 0.00 0.00 0.00 0.00 60.65 58.79 1s6i s ILE 27 Cb -0.05 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1s6i s ILE 27 CO -0.01 -0.44 0.29 0.42 0.00 0.00 0.00 174.94 175.20 1s6i s THR 28 N 1.16 4.89 0.34 2.92 -4.23 -1.25 0.22 115.64 119.68 1s6i s THR 28 Ca 0.03 -1.17 0.26 0.00 -1.18 0.00 0.00 61.69 59.64 1s6i s THR 28 Cb -0.21 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.37 1s6i s THR 28 CO -0.03 -0.33 1.12 0.33 -0.54 0.00 0.00 174.62 175.16 1s6i n PHE 29 N -1.32 0.38 0.01 3.99 -0.00 -1.06 0.21 117.46 119.68 1s6i n PHE 29 Ca -0.08 0.39 -0.18 0.00 -0.00 0.00 0.00 57.45 57.58 1s6i n PHE 29 Cb 0.57 -0.78 -0.13 0.00 -0.00 0.00 0.00 39.48 39.15 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 0.40 1.01 -2.13 1.82 -1.92 -3.28 116.42 112.32 1s6i h ASP 30 Ca 0.64 -0.86 -0.06 0.00 -0.39 0.00 0.00 57.03 56.36 1s6i h ASP 30 Cb 2.20 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 42.08 1s6i h ASP 30 CO -0.26 1.22 -0.30 -0.33 -1.61 0.00 0.00 179.24 177.97 1s6i h GLU 31 N -0.36 0.00 -0.22 0.28 3.07 0.22 -2.27 114.58 115.30 1s6i h GLU 31 Ca -0.09 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.83 1s6i h GLU 31 Cb 1.36 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.20 1s6i h GLU 31 CO 0.11 0.30 -0.31 1.25 -1.40 0.00 0.00 179.01 178.95 1s6i h LEU 32 N 0.00 -0.99 0.17 1.33 7.12 0.12 -0.37 115.31 122.69 1s6i h LEU 32 Ca -0.00 0.16 -0.31 0.00 0.13 0.00 0.00 57.88 57.85 1s6i h LEU 32 Cb 0.88 0.44 0.03 0.00 -0.53 0.00 0.00 40.66 41.48 1s6i h LEU 32 CO 0.04 -0.34 -1.34 0.07 -0.13 0.00 0.00 178.44 176.74 1s6i h LYS 33 N -0.34 0.53 -1.08 1.25 2.10 -1.68 -2.50 116.57 114.86 1s6i h LYS 33 Ca 0.12 -0.81 0.30 0.00 -2.00 0.00 0.00 60.65 58.25 1s6i h LYS 33 Cb 0.53 0.29 -0.10 0.00 -0.90 0.00 0.00 32.23 32.05 1s6i h LYS 33 CO -0.41 1.38 0.69 0.22 -2.00 0.00 0.00 179.45 179.33 1s6i h ASP 34 N 0.19 0.42 0.00 7.07 3.58 -0.92 0.38 116.42 127.14 1s6i h ASP 34 Ca -0.21 0.10 -0.36 0.00 0.42 0.00 0.00 57.03 56.98 1s6i h ASP 34 Cb 2.03 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 43.06 1s6i h ASP 34 CO 0.25 0.03 -1.94 0.61 -2.88 0.00 0.00 179.24 175.31 1s6i n GLY 35 N -1.47 -0.63 0.15 -0.78 0.00 -0.19 -3.55 105.19 98.71 1s6i n GLY 35 Ca 0.28 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1s6i n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s6i h LEU 36 N -0.96 -0.29 0.00 0.99 7.12 -1.22 0.08 115.31 121.02 1s6i h LEU 36 Ca -0.53 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.51 1s6i h LEU 36 Cb 1.49 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1s6i h LEU 36 CO -0.31 -0.16 0.00 1.17 -0.13 0.00 0.00 178.44 179.01 1s6i n LYS 37 N -5.23 0.03 0.07 1.25 0.00 0.13 -2.32 118.16 112.09 1s6i n LYS 37 Ca -0.06 0.28 -0.11 0.00 0.00 0.00 0.00 58.31 58.41 1s6i n LYS 37 Cb 0.15 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.55 1s6i n LYS 37 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1s6i h ARG 38 N 0.00 0.12 0.00 1.64 1.12 -1.03 -3.18 114.38 113.04 1s6i h ARG 38 Ca 0.00 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.67 1s6i h ARG 38 Cb 0.18 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 1s6i h ARG 38 CO 0.00 1.06 0.00 1.33 -3.11 0.00 0.00 179.97 179.25 1s6i n VAL 39 N -3.41 0.00 0.00 0.20 0.24 -0.98 -4.75 118.33 109.63 1s6i n VAL 39 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1s6i n VAL 39 Cb 0.98 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 1s6i n VAL 39 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s6i n GLY 40 N 0.61 1.41 3.92 7.63 0.00 -1.22 -5.12 105.19 112.42 1s6i n GLY 40 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 6.38 -0.24 1.61 0.01 -1.21 -5.02 113.70 113.22 1s6i s SER 41 Ca 0.00 0.66 -0.04 0.00 1.31 0.00 0.00 55.95 57.89 1s6i s SER 41 Cb 0.00 -2.12 0.10 0.00 0.21 0.00 0.00 66.02 64.20 1s6i s SER 41 CO 0.00 -0.28 0.17 -1.61 0.41 0.00 0.00 173.24 171.94 1s6i s GLU 42 N -3.94 0.19 0.23 12.44 2.02 -1.26 -4.14 118.70 124.24 1s6i s GLU 42 Ca 0.43 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 55.26 1s6i s GLU 42 Cb -0.10 -1.23 -0.05 0.00 0.10 0.00 0.00 34.13 32.85 1s6i s GLU 42 CO 0.34 -0.86 -0.00 -0.51 0.02 0.00 0.00 175.26 174.24 1s6i s LEU 43 N 2.21 2.19 0.34 1.80 1.43 -1.26 -5.10 118.68 120.29 1s6i s LEU 43 Ca 0.07 -1.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.03 1s6i s LEU 43 Cb -0.16 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 1s6i s LEU 43 CO -0.24 -0.51 0.34 -0.04 0.23 0.00 0.00 176.35 176.12 1s6i s MET 44 N -3.86 2.79 0.11 1.70 -1.94 -1.26 -4.90 119.30 111.93 1s6i s MET 44 Ca 0.28 -1.26 -0.31 0.00 -1.71 0.00 0.00 55.69 52.69 1s6i s MET 44 Cb 0.06 -2.54 -0.12 0.00 2.01 0.00 0.00 34.83 34.24 1s6i s MET 44 CO 0.09 0.06 1.51 0.93 -0.01 0.00 0.00 175.02 177.60 1s6i h GLU 45 N 1.16 -0.49 0.00 2.03 3.07 -1.99 0.36 114.58 118.72 1s6i h GLU 45 Ca -0.45 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1s6i h GLU 45 Cb 1.26 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1s6i h GLU 45 CO 0.57 -0.33 0.48 1.03 -1.40 0.00 0.00 179.01 179.36 1s6i h SER 46 N -0.51 0.00 0.01 1.42 0.87 -1.99 0.25 113.55 113.61 1s6i h SER 46 Ca 0.04 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.33 1s6i h SER 46 Cb 0.62 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1s6i h SER 46 CO -0.44 0.00 -1.47 -0.62 -0.53 0.00 0.00 176.83 173.77 1s6i n GLU 47 N -2.33 0.59 0.01 2.24 1.02 0.10 -3.87 120.64 118.41 1s6i n GLU 47 Ca -0.01 0.51 -0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1s6i n GLU 47 Cb 0.50 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.87 0.09 -1.53 -3.67 5.03 0.17 0.26 117.51 117.00 1s6i h ILE 48 Ca -0.39 0.00 0.50 0.00 -0.12 0.00 0.00 64.86 64.85 1s6i h ILE 48 Cb 1.42 0.09 -0.13 0.00 -3.03 0.00 0.00 36.82 35.18 1s6i h ILE 48 CO -0.19 0.00 1.02 1.17 -0.68 0.00 0.00 178.15 179.46 1s6i n LYS 49 N -5.44 -0.03 0.05 2.37 4.81 0.02 0.84 118.16 120.78 1s6i n LYS 49 Ca -0.05 1.22 -0.13 0.00 -0.87 0.00 0.00 58.31 58.48 1s6i n LYS 49 Cb 0.37 -2.49 -0.08 0.00 0.02 0.00 0.00 35.03 32.85 1s6i n LYS 49 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1s6i h ASP 50 N 0.00 -0.07 -0.59 3.14 1.82 -0.58 0.68 116.42 120.82 1s6i h ASP 50 Ca 0.90 -0.19 0.10 0.00 -0.39 0.00 0.00 57.03 57.45 1s6i h ASP 50 Cb 3.07 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 43.07 1s6i h ASP 50 CO -0.36 0.15 0.40 0.25 -1.61 0.00 0.00 179.24 178.07 1s6i h LEU 51 N -0.30 0.33 0.00 2.28 5.85 0.58 0.99 115.31 125.04 1s6i h LEU 51 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s6i h LEU 51 Cb 0.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1s6i h LEU 51 CO 0.01 0.19 -0.13 -0.03 -0.34 0.00 0.00 178.44 178.15 1s6i h MET 52 N 0.36 0.00 -0.54 1.25 4.05 -1.08 -2.88 114.93 116.09 1s6i h MET 52 Ca 0.28 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 1s6i h MET 52 Cb 0.60 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 1s6i h MET 52 CO -0.07 0.00 0.36 0.38 0.23 0.00 0.00 176.91 177.81 1s6i h ASP 53 N -0.35 0.49 0.82 1.39 2.03 0.32 1.06 116.42 122.18 1s6i h ASP 53 Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s6i h ASP 53 Cb 0.13 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1s6i h ASP 53 CO 0.00 0.33 -1.03 0.00 -1.03 0.00 0.00 179.24 177.51 1s6i n ALA 54 N -2.48 2.73 0.00 4.15 0.00 0.34 -4.58 120.51 120.66 1s6i n ALA 54 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1s6i n ALA 54 Cb 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.08 2.36 -1.51 0.00 0.00 -0.96 -4.75 120.51 113.56 1s6i n ALA 55 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1s6i n ALA 55 Cb 0.52 0.40 -0.08 0.00 0.00 0.00 0.00 19.45 20.29 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 -2.52 1.48 0.24 0.00 2.03 0.36 -4.54 116.55 113.60 1s6i n ASP 56 Ca 0.00 -0.08 0.09 0.00 0.52 0.00 0.00 54.79 55.32 1s6i n ASP 56 Cb 0.40 -1.27 0.46 0.00 -0.72 0.00 0.00 41.12 40.00 1s6i n ASP 56 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s6i h ILE 57 N 7.71 0.00 -0.82 5.18 2.04 -1.82 -0.81 117.51 129.00 1s6i h ILE 57 Ca -0.17 0.00 -0.43 0.00 1.00 0.00 0.00 64.86 65.27 1s6i h ILE 57 Cb 1.30 0.38 -0.41 0.00 -0.74 0.00 0.00 36.82 37.34 1s6i h ILE 57 CO 1.23 0.00 -0.96 0.47 0.00 0.00 0.00 178.15 178.88 1s6i n ASP 58 N -2.35 3.23 -2.92 1.72 8.00 -1.26 -4.53 116.55 118.43 1s6i n ASP 58 Ca -0.01 -3.01 -0.11 0.00 0.71 0.00 0.00 54.79 52.37 1s6i n ASP 58 Cb 0.42 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 1s6i n ASP 58 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1s6i n LYS 59 N -0.53 0.00 -0.22 -1.24 0.00 -0.31 -4.53 118.16 111.33 1s6i n LYS 59 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 58.31 58.62 1s6i n LYS 59 Cb 0.84 -0.67 0.08 0.00 0.00 0.00 0.00 35.03 35.27 1s6i n LYS 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1s6i n SER 60 N 3.50 1.39 -0.94 3.14 7.64 -1.26 -4.94 113.62 122.15 1s6i n SER 60 Ca 0.33 -2.57 -0.12 0.00 1.01 0.00 0.00 58.87 57.52 1s6i n SER 60 Cb 0.16 -0.31 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 1s6i n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6i n GLY 61 N -0.82 1.16 3.44 0.23 0.00 -1.26 -4.97 105.19 102.97 1s6i n GLY 61 Ca 0.09 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.45 -0.01 -0.09 2.61 2.01 -1.22 -2.56 115.64 113.92 1s6i s THR 62 Ca 0.00 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1s6i s THR 62 Cb 0.00 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1s6i s THR 62 CO 0.00 0.01 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.19 1s6i s ILE 63 N 1.14 3.16 0.38 1.82 1.01 0.59 -4.79 121.20 124.52 1s6i s ILE 63 Ca -0.07 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.01 1s6i s ILE 63 Cb -0.06 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1s6i s ILE 63 CO -0.11 0.56 0.34 -1.81 0.00 0.00 0.00 174.94 173.91 1s6i s ASP 64 N -0.17 5.14 0.24 3.58 1.01 -1.26 -0.70 116.67 124.51 1s6i s ASP 64 Ca 0.00 -0.64 0.01 0.00 0.71 0.00 0.00 52.55 52.62 1s6i s ASP 64 Cb -0.13 -0.74 0.58 0.00 1.01 0.00 0.00 42.92 43.64 1s6i s ASP 64 CO 0.03 -0.52 1.24 0.00 0.21 0.00 0.00 175.17 176.12 1s6i n TYR 65 N -1.47 0.48 0.04 4.23 9.36 -1.26 0.56 117.16 129.10 1s6i n TYR 65 Ca 0.01 0.95 -0.11 0.00 3.32 0.00 0.00 57.90 62.08 1s6i n TYR 65 Cb 0.61 -1.08 -0.08 0.00 -0.63 0.00 0.00 39.34 38.16 1s6i n TYR 65 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1s6i h GLY 66 N 0.00 -0.20 0.80 2.98 0.00 -2.01 -2.88 103.07 101.77 1s6i h GLY 66 Ca 0.47 0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.99 1s6i h GLY 66 CO -0.75 -0.07 0.49 0.83 0.00 0.00 0.00 176.54 177.03 1s6i h GLU 67 N -0.83 0.00 0.28 4.80 5.08 -1.11 -1.90 114.58 120.90 1s6i h GLU 67 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1s6i h GLU 67 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1s6i h GLU 67 CO 0.03 0.00 -0.13 0.35 -1.00 0.00 0.00 179.01 178.26 1s6i h PHE 68 N 0.00 -0.35 -0.75 4.33 3.57 0.21 -2.50 116.94 121.45 1s6i h PHE 68 Ca 0.19 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.86 1s6i h PHE 68 Cb 1.16 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 39.89 1s6i h PHE 68 CO 0.00 -0.22 0.09 0.82 -2.23 0.00 0.00 178.31 176.77 1s6i h ILE 69 N -0.55 0.40 -0.03 1.41 2.04 -1.14 0.02 117.51 119.65 1s6i h ILE 69 Ca -0.04 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1s6i h ILE 69 Cb 0.29 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1s6i h ILE 69 CO 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 178.15 178.22 1s6i h ALA 70 N 1.68 0.01 -0.69 1.87 0.00 -1.55 0.17 119.26 120.75 1s6i h ALA 70 Ca 0.42 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.49 1s6i h ALA 70 Cb 0.76 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1s6i h ALA 70 CO -0.61 -0.51 0.47 0.00 0.00 0.00 0.00 179.25 178.60 1s6i h ALA 71 N 1.01 2.15 0.00 0.00 0.00 -0.56 -1.68 119.26 120.18 1s6i h ALA 71 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1s6i h ALA 71 Cb 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s6i h ALA 71 CO -0.04 -0.33 -0.25 1.79 0.00 0.00 0.00 179.25 180.42 1s6i h THR 72 N 0.36 0.07 0.00 0.00 1.35 -0.67 -3.32 112.91 110.70 1s6i h THR 72 Ca 0.34 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1s6i h THR 72 Cb 0.81 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1s6i h THR 72 CO -0.09 0.02 0.34 0.58 -0.25 0.00 0.00 175.52 176.12 1s6i h VAL 73 N -1.00 0.00 0.00 6.82 2.07 -0.63 0.49 116.25 124.00 1s6i h VAL 73 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1s6i h VAL 73 Cb 0.27 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1s6i h VAL 73 CO -0.00 0.00 -0.03 -0.74 0.02 0.00 0.00 177.57 176.82 1s6i h HIS 74 N 0.00 0.03 0.00 1.57 6.17 -1.43 -3.17 115.15 118.32 1s6i h HIS 74 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1s6i h HIS 74 Cb 0.67 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.60 1s6i h HIS 74 CO 0.00 0.83 0.00 -0.07 0.71 0.00 0.00 177.93 179.40 1s6i h LEU 75 N -0.78 0.00 -7.30 0.26 3.38 -0.69 -3.38 115.31 106.79 1s6i h LEU 75 Ca -0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1s6i h LEU 75 Cb 0.83 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.18 1s6i h LEU 75 CO 0.01 0.00 -0.68 0.20 0.09 0.00 0.00 178.44 178.06 1s6i s ASN 76 N -4.64 4.17 0.15 -0.43 -0.87 0.14 -5.07 114.94 108.38 1s6i s ASN 76 Ca 0.09 -2.71 -0.25 0.00 -1.57 0.00 0.00 52.86 48.42 1s6i s ASN 76 Cb 0.11 -1.42 0.06 0.00 -0.02 0.00 0.00 41.25 39.98 1s6i s ASN 76 CO 0.56 -0.27 0.91 -1.59 -2.57 0.00 0.00 177.10 174.14 1s6i s LYS 77 N 0.16 1.22 0.00 -0.60 -2.85 -1.22 -4.29 119.74 112.15 1s6i s LYS 77 Ca 0.16 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 1s6i s LYS 77 Cb -0.24 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1s6i s LYS 77 CO -0.02 -0.55 1.67 1.47 0.10 0.00 0.00 175.35 178.02 1s6i n LEU 78 N -0.44 4.58 -4.30 2.77 -0.00 -1.26 -4.81 117.00 113.54 1s6i n LEU 78 Ca -0.07 -2.11 -0.16 0.00 -0.00 0.00 0.00 56.01 53.68 1s6i n LEU 78 Cb 0.61 -0.93 -0.10 0.00 -0.00 0.00 0.00 43.42 43.00 1s6i n LEU 78 CO 0.13 0.84 -0.34 -1.61 -0.00 0.00 0.00 177.39 176.42 1s6i s GLU 79 N 0.01 1.26 0.16 1.47 0.41 -1.26 -5.17 118.70 115.59 1s6i s GLU 79 Ca 0.00 -1.62 0.07 0.00 -0.41 0.00 0.00 54.97 53.01 1s6i s GLU 79 Cb 0.00 -0.53 -0.04 0.00 -1.78 0.00 0.00 34.13 31.78 1s6i s GLU 79 CO 0.00 -0.09 -0.16 -0.98 -0.49 0.00 0.00 175.26 173.54 1s6i s ARG 80 N -3.87 1.20 0.45 1.61 3.03 -1.26 -5.04 118.95 115.07 1s6i s ARG 80 Ca 0.27 -1.40 -0.22 0.00 2.03 0.00 0.00 55.73 56.40 1s6i s ARG 80 Cb 0.05 -1.11 -0.08 0.00 -1.03 0.00 0.00 34.95 32.78 1s6i s ARG 80 CO 0.07 0.21 1.10 -1.83 -1.13 0.00 0.00 175.30 173.72 1s6i s GLU 81 N -3.01 3.86 0.00 3.89 1.03 -1.26 -5.06 118.70 118.15 1s6i s GLU 81 Ca 0.15 1.60 0.00 0.00 0.03 0.00 0.00 54.97 56.75 1s6i s GLU 81 Cb -0.04 -2.36 0.00 0.00 -0.80 0.00 0.00 34.13 30.94 1s6i s GLU 81 CO 0.05 -0.42 0.00 0.39 -1.33 0.00 0.00 175.26 173.95 1s6i n GLU 82 N -0.51 3.87 -0.04 -4.83 -0.58 -1.26 -5.08 120.64 112.20 1s6i n GLU 82 Ca 0.07 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.77 1s6i n GLU 82 Cb 0.50 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.31 1s6i n GLU 82 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1s6i n ASN 83 N 0.00 3.09 0.09 1.62 3.02 -1.26 -4.59 115.26 117.23 1s6i n ASN 83 Ca 0.00 -0.01 -0.04 0.00 -0.03 0.00 0.00 54.58 54.50 1s6i n ASN 83 Cb 0.00 0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1s6i n ASN 83 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1s6i h LEU 84 N 0.00 0.00 -2.02 3.41 7.12 -2.02 -3.21 115.31 118.59 1s6i h LEU 84 Ca -0.21 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.80 1s6i h LEU 84 Cb 1.46 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.59 1s6i h LEU 84 CO 0.00 0.82 0.28 1.62 -0.13 0.00 0.00 178.44 181.03 1s6i h VAL 85 N 0.00 0.00 -0.76 1.05 3.04 -1.99 -2.69 116.25 114.91 1s6i h VAL 85 Ca -0.01 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.83 1s6i h VAL 85 Cb 1.57 0.67 -0.14 0.00 -2.01 0.00 0.00 31.29 31.38 1s6i h VAL 85 CO 0.11 0.00 -0.23 0.28 -1.01 0.00 0.00 177.57 176.72 1s6i h SER 86 N 0.00 -0.84 0.04 3.17 0.02 -1.85 0.27 113.55 114.36 1s6i h SER 86 Ca 0.00 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1s6i h SER 86 Cb 0.57 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1s6i h SER 86 CO 0.00 -0.27 -0.02 0.00 -1.14 0.00 0.00 176.83 175.41 1s6i h ALA 87 N 1.61 -0.05 -1.16 3.77 0.00 -1.77 -1.87 119.26 119.79 1s6i h ALA 87 Ca 0.35 -0.33 0.34 0.00 0.00 0.00 0.00 54.91 55.26 1s6i h ALA 87 Cb 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1s6i h ALA 87 CO -0.79 -0.15 1.09 0.35 0.00 0.00 0.00 179.25 179.75 1s6i h PHE 88 N -0.81 0.00 0.00 0.00 3.57 -1.45 1.41 116.94 119.66 1s6i h PHE 88 Ca -0.01 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1s6i h PHE 88 Cb 0.68 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1s6i h PHE 88 CO 0.16 0.00 -0.62 1.03 -2.23 0.00 0.00 178.31 176.66 1s6i h SER 89 N 0.00 0.00 0.00 0.41 0.87 -0.47 -3.34 113.55 111.03 1s6i h SER 89 Ca 0.55 -0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.94 1s6i h SER 89 Cb 2.72 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.67 1s6i h SER 89 CO -0.01 0.88 -0.43 0.22 -0.53 0.00 0.00 176.83 176.96 1s6i h TYR 90 N -1.00 0.00 0.35 2.24 3.20 -0.15 -3.31 116.97 118.30 1s6i h TYR 90 Ca -0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1s6i h TYR 90 Cb 0.63 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 1s6i h TYR 90 CO -0.14 0.69 -0.25 0.74 -1.64 0.00 0.00 178.16 177.56 1s6i h PHE 91 N -1.00 -0.67 0.00 -3.82 -1.00 0.16 -2.50 116.94 108.10 1s6i h PHE 91 Ca -0.09 -0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.18 1s6i h PHE 91 Cb 0.74 0.25 0.02 0.00 3.61 0.00 0.00 35.95 40.57 1s6i h PHE 91 CO 0.07 -0.36 2.71 -3.47 -1.61 0.00 0.00 178.31 175.64 1s6i n ASP 92 N -3.86 4.66 -0.34 2.17 2.03 0.44 -4.64 116.55 117.02 1s6i n ASP 92 Ca -0.07 -2.47 0.14 0.00 0.52 0.00 0.00 54.79 52.90 1s6i n ASP 92 Cb 0.24 -1.19 0.34 0.00 -0.72 0.00 0.00 41.12 39.80 1s6i n ASP 92 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1s6i h LYS 93 N 6.55 0.71 0.00 -0.67 3.64 -1.53 0.37 116.57 125.64 1s6i h LYS 93 Ca 0.52 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.80 1s6i h LYS 93 Cb 0.33 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1s6i h LYS 93 CO 1.64 0.47 -0.30 -0.44 -2.27 0.00 0.00 179.45 178.55 1s6i h ASP 94 N 0.73 0.00 -6.57 4.20 3.32 -1.81 -3.41 116.42 112.88 1s6i h ASP 94 Ca 0.57 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 57.15 1s6i h ASP 94 Cb 0.93 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.50 1s6i h ASP 94 CO -0.36 0.30 -0.93 0.61 -1.72 0.00 0.00 179.24 177.13 1s6i n GLY 95 N 0.21 -1.09 0.13 2.75 0.00 0.13 -3.84 105.19 103.48 1s6i n GLY 95 Ca -0.00 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.52 1s6i n GLY 95 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6i n SER 96 N -2.41 2.22 0.00 1.61 3.41 -1.26 -4.85 113.62 112.34 1s6i n SER 96 Ca -0.17 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1s6i n SER 96 Cb 0.61 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.44 0.75 3.60 5.00 0.00 -1.26 -5.06 105.19 107.78 1s6i n GLY 97 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1s6i n GLY 97 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s6i s TYR 98 N -2.12 -0.54 -0.07 1.61 -0.85 -1.26 -1.95 117.35 112.16 1s6i s TYR 98 Ca 0.00 1.13 -0.03 0.00 -0.52 0.00 0.00 57.07 57.65 1s6i s TYR 98 Cb 0.00 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 1s6i s TYR 98 CO 0.00 -0.36 0.09 0.42 -1.52 0.00 0.00 175.55 174.17 1s6i s ILE 99 N -0.42 4.94 0.26 -3.49 1.01 0.38 -4.70 121.20 119.17 1s6i s ILE 99 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 60.65 60.61 1s6i s ILE 99 Cb -0.03 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1s6i s ILE 99 CO 0.01 0.53 0.06 0.42 0.00 0.00 0.00 174.94 175.95 1s6i s THR 100 N -1.05 3.77 0.38 2.92 -4.23 -1.26 0.99 115.64 117.16 1s6i s THR 100 Ca 0.17 -1.74 0.26 0.00 -1.18 0.00 0.00 61.69 59.20 1s6i s THR 100 Cb -0.12 -3.02 0.40 0.00 1.34 0.00 0.00 72.50 71.11 1s6i s THR 100 CO 0.07 -0.35 1.43 0.00 -0.54 0.00 0.00 174.62 175.22 1s6i n LEU 101 N -0.94 0.24 0.50 4.79 -0.00 -0.16 0.05 117.00 121.48 1s6i n LEU 101 Ca -0.07 1.36 -0.20 0.00 -0.00 0.00 0.00 56.01 57.10 1s6i n LEU 101 Cb 0.58 -0.66 -0.09 0.00 -0.00 0.00 0.00 43.42 43.25 1s6i n LEU 101 CO 0.41 -1.49 0.52 -0.78 -0.00 0.00 0.00 177.39 176.05 1s6i h ASP 102 N 0.00 -1.08 0.00 1.45 3.58 -1.94 0.16 116.42 118.59 1s6i h ASP 102 Ca 0.79 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 58.28 1s6i h ASP 102 Cb 2.38 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 43.71 1s6i h ASP 102 CO -0.53 -0.75 -0.00 -0.33 -2.88 0.00 0.00 179.24 174.75 1s6i h GLU 103 N -1.32 0.00 0.18 0.28 5.08 -0.75 -1.56 114.58 116.49 1s6i h GLU 103 Ca -0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1s6i h GLU 103 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1s6i h GLU 103 CO 0.21 0.00 -0.09 0.82 -1.00 0.00 0.00 179.01 178.96 1s6i h ILE 104 N 0.00 0.00 -0.66 3.13 2.04 -0.50 -0.80 117.51 120.71 1s6i h ILE 104 Ca -0.00 -0.68 0.13 0.00 1.00 0.00 0.00 64.86 65.31 1s6i h ILE 104 Cb 0.00 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.04 1s6i h ILE 104 CO 0.00 0.00 0.45 1.56 0.00 0.00 0.00 178.15 180.16 1s6i h GLN 105 N -0.93 0.36 0.00 2.37 1.08 -0.52 0.34 115.11 117.82 1s6i h GLN 105 Ca -0.03 -0.02 -0.18 0.00 -1.45 0.00 0.00 58.65 56.97 1s6i h GLN 105 Cb 0.19 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1s6i h GLN 105 CO 0.04 0.24 -0.89 1.96 -0.95 0.00 0.00 178.83 179.23 1s6i h GLN 106 N 0.37 0.00 0.00 1.46 4.20 -1.39 -3.16 115.11 116.59 1s6i h GLN 106 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1s6i h GLN 106 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1s6i h GLN 106 CO -0.09 0.84 0.00 0.00 -0.67 0.00 0.00 178.83 178.91 1s6i n ALA 107 N -2.32 1.69 -3.68 3.87 0.00 0.10 -3.74 120.51 116.43 1s6i n ALA 107 Ca -0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1s6i n ALA 107 Cb 0.89 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 1s6i n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i h LYS 109 N 5.39 -0.01 0.00 0.00 1.57 -1.83 -3.31 116.57 118.37 1s6i h LYS 109 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1s6i h LYS 109 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1s6i h LYS 109 CO 0.82 0.59 0.00 0.22 -0.57 0.00 0.00 179.45 180.51 1s6i h ASP 110 N -0.99 0.00 0.56 0.86 1.82 -1.94 -3.31 116.42 113.42 1s6i h ASP 110 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1s6i h ASP 110 Cb 0.61 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.62 1s6i h ASP 110 CO 0.00 0.00 -0.27 -0.26 -1.61 0.00 0.00 179.24 177.10 1s6i h PHE 111 N 0.00 -0.70 0.00 0.28 -1.00 -1.94 -3.48 116.94 110.10 1s6i h PHE 111 Ca 0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1s6i h PHE 111 Cb 0.69 0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.48 1s6i h PHE 111 CO 0.00 -0.38 0.00 0.41 -1.61 0.00 0.00 178.31 176.73 1s6i n GLY 112 N -0.93 1.12 2.30 -1.45 0.00 -1.25 -5.04 105.19 99.95 1s6i n GLY 112 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.45 -4.02 0.99 -0.00 -1.25 -4.94 117.00 108.24 1s6i n LEU 113 Ca 0.00 0.74 -0.11 0.00 -0.00 0.00 0.00 56.01 56.64 1s6i n LEU 113 Cb 0.00 -0.57 -0.04 0.00 -0.00 0.00 0.00 43.42 42.81 1s6i n LEU 113 CO 0.00 -0.81 0.18 -0.62 -0.00 0.00 0.00 177.39 176.14 1s6i s ASP 114 N 1.12 0.28 0.00 1.96 2.15 -1.26 -5.04 116.67 115.88 1s6i s ASP 114 Ca 0.63 -1.17 0.27 0.00 0.43 0.00 0.00 52.55 52.71 1s6i s ASP 114 Cb -0.89 0.63 1.26 0.00 -0.30 0.00 0.00 42.92 43.62 1s6i s ASP 114 CO 0.45 -1.23 1.89 0.47 -0.17 0.00 0.00 175.17 176.57 1s6i n ASP 115 N -0.83 0.00 -0.02 -0.34 9.92 -1.26 -2.22 116.55 121.79 1s6i n ASP 115 Ca -0.01 0.14 -0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1s6i n ASP 115 Cb 0.62 -0.37 -0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1s6i n ASP 115 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1s6i h ILE 116 N 0.00 0.00 0.00 0.53 2.04 -1.97 -3.40 117.51 114.72 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 0.33 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1s6i h ILE 116 CO 0.00 0.00 -0.05 1.41 0.00 0.00 0.00 178.15 179.51 1s6i n HIS 117 N -3.26 0.05 0.30 1.37 8.25 -1.26 -4.24 115.22 116.43 1s6i n HIS 117 Ca -0.01 0.02 0.15 0.00 -0.26 0.00 0.00 57.72 57.62 1s6i n HIS 117 Cb 0.02 -0.22 0.78 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.07 0.00 0.24 1.59 2.04 -1.89 -1.39 117.51 118.03 1s6i h ILE 118 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1s6i h ILE 118 Cb 0.05 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1s6i h ILE 118 CO 0.00 0.00 -0.12 -0.78 0.00 0.00 0.00 178.15 177.25 1s6i h ASP 119 N 0.00 -0.27 0.10 1.72 3.58 -1.65 -2.90 116.42 116.99 1s6i h ASP 119 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1s6i h ASP 119 Cb 0.54 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1s6i h ASP 119 CO 0.00 -0.06 0.00 -2.24 -2.88 0.00 0.00 179.24 174.06 1s6i h ASP 120 N -0.59 0.00 -0.31 2.28 3.04 -1.67 0.19 116.42 119.35 1s6i h ASP 120 Ca -0.03 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.75 1s6i h ASP 120 Cb 0.25 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.52 1s6i h ASP 120 CO 0.05 0.00 0.17 -0.03 -2.04 0.00 0.00 179.24 177.39 1s6i h MET 121 N 0.00 0.48 -0.64 4.15 4.05 -1.14 2.00 114.93 123.84 1s6i h MET 121 Ca 0.00 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1s6i h MET 121 Cb 0.05 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.71 1s6i h MET 121 CO 0.00 0.38 0.39 0.82 0.23 0.00 0.00 176.91 178.72 1s6i h ILE 122 N 0.49 1.06 0.00 1.77 2.04 -0.43 0.41 117.51 122.85 1s6i h ILE 122 Ca 0.12 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1s6i h ILE 122 Cb 0.05 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1s6i h ILE 122 CO -0.02 0.14 -0.41 0.29 0.00 0.00 0.00 178.15 178.15 1s6i n LYS 123 N -4.73 0.18 0.13 2.37 4.01 -0.09 -1.18 118.16 118.84 1s6i n LYS 123 Ca 0.06 0.07 0.03 0.00 -0.51 0.00 0.00 58.31 57.97 1s6i n LYS 123 Cb 0.10 -1.64 0.03 0.00 -0.51 0.00 0.00 35.03 33.01 1s6i n LYS 123 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1s6i h GLU 124 N 0.00 0.00 0.00 1.97 4.57 0.58 -3.33 114.58 118.37 1s6i h GLU 124 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1s6i h GLU 124 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1s6i h GLU 124 CO 0.00 0.40 -1.33 -0.89 -1.18 0.00 0.00 179.01 176.01 1s6i n ILE 125 N -3.15 0.00 -1.88 2.32 5.41 0.12 -4.86 119.36 117.32 1s6i n ILE 125 Ca 0.01 -0.20 -0.22 0.00 1.00 0.00 0.00 62.75 63.33 1s6i n ILE 125 Cb 0.72 0.35 -0.07 0.00 -0.71 0.00 0.00 39.64 39.92 1s6i n ILE 125 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1s6i s ASP 126 N -2.91 4.49 0.00 4.38 2.15 -0.33 -4.67 116.67 119.77 1s6i s ASP 126 Ca -0.03 -1.03 0.27 0.00 0.43 0.00 0.00 52.55 52.20 1s6i s ASP 126 Cb 0.06 -2.58 0.94 0.00 -0.30 0.00 0.00 42.92 41.03 1s6i s ASP 126 CO 0.36 -3.55 1.70 0.00 -0.17 0.00 0.00 175.17 173.51 1s6i n GLN 127 N 8.46 0.18 0.00 4.34 6.02 -1.26 -4.44 117.38 130.67 1s6i n GLN 127 Ca 0.43 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1s6i n GLN 127 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1s6i n GLN 127 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1s6i n ASP 128 N -1.35 3.33 0.00 1.08 5.75 -1.25 -4.83 116.55 119.28 1s6i n ASP 128 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1s6i n ASP 128 Cb 0.32 0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 -1.52 0.00 -0.80 -1.12 2.04 -1.26 -4.96 115.26 107.64 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 0.33 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.58 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 -0.24 0.57 -3.47 0.53 9.92 -1.26 -4.70 116.55 117.90 1s6i n ASP 130 Ca 0.00 -0.52 -0.25 0.00 -0.53 0.00 0.00 54.79 53.49 1s6i n ASP 130 Cb 0.00 -0.13 0.03 0.00 -0.64 0.00 0.00 41.12 40.38 1s6i n ASP 130 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s6i n GLY 131 N 0.67 -0.51 3.39 0.44 0.00 -1.26 -4.37 105.19 103.54 1s6i n GLY 131 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.16 1.48 -0.15 1.61 -2.07 -1.26 -0.99 119.66 112.13 1s6i s GLN 132 Ca 0.49 -1.78 -0.01 0.00 -1.82 0.00 0.00 55.36 52.24 1s6i s GLN 132 Cb -0.23 -0.78 0.04 0.00 -1.09 0.00 0.00 33.01 30.94 1s6i s GLN 132 CO 0.60 -0.11 -0.05 0.42 -1.32 0.00 0.00 175.29 174.83 1s6i s ILE 133 N -3.32 1.03 0.34 3.63 1.01 0.28 -3.99 121.20 120.17 1s6i s ILE 133 Ca 0.32 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1s6i s ILE 133 Cb 0.06 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 1s6i s ILE 133 CO 0.12 0.18 0.47 1.51 0.00 0.00 0.00 174.94 177.21 1s6i s ASP 134 N 1.68 5.92 0.62 3.58 -4.77 -1.26 0.15 116.67 122.58 1s6i s ASP 134 Ca 0.02 -0.22 0.23 0.00 -3.30 0.00 0.00 52.55 49.28 1s6i s ASP 134 Cb -0.15 -1.18 1.02 0.00 -1.09 0.00 0.00 42.92 41.52 1s6i s ASP 134 CO -0.08 -0.45 1.52 0.22 0.70 0.00 0.00 175.17 177.08 1s6i h TYR 135 N 0.90 0.00 0.23 2.11 3.20 -1.77 1.79 116.97 123.43 1s6i h TYR 135 Ca -0.45 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.07 1s6i h TYR 135 Cb 1.26 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.55 1s6i h TYR 135 CO 0.43 0.00 -1.61 0.78 -1.64 0.00 0.00 178.16 176.12 1s6i h GLY 136 N 0.00 0.55 0.51 1.82 0.00 -1.90 -2.95 103.07 101.10 1s6i h GLY 136 Ca 0.23 -1.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.14 1s6i h GLY 136 CO -0.00 1.23 -0.18 0.83 0.00 0.00 0.00 176.54 178.42 1s6i h GLU 137 N 0.13 -0.49 -0.02 4.80 5.08 0.24 -2.57 114.58 121.74 1s6i h GLU 137 Ca -0.30 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1s6i h GLU 137 Cb 2.14 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 31.49 1s6i h GLU 137 CO 0.23 -0.20 -0.07 0.35 -1.00 0.00 0.00 179.01 178.32 1s6i h PHE 138 N -1.01 -0.18 0.00 4.33 3.57 -0.88 0.27 116.94 123.04 1s6i h PHE 138 Ca -0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1s6i h PHE 138 Cb 0.52 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1s6i h PHE 138 CO 0.03 -0.11 0.00 0.00 -2.23 0.00 0.00 178.31 175.99 1s6i h ALA 139 N 0.89 1.00 0.00 2.41 0.00 -1.63 -2.90 119.26 119.03 1s6i h ALA 139 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1s6i h ALA 139 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1s6i h ALA 139 CO -0.09 0.00 -1.23 0.00 0.00 0.00 0.00 179.25 177.93 1s6i n ALA 140 N -2.05 0.76 0.52 0.00 0.00 -0.51 -4.19 120.51 115.04 1s6i n ALA 140 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 53.44 52.90 1s6i n ALA 140 Cb 0.08 -0.42 0.05 0.00 0.00 0.00 0.00 19.45 19.16 1s6i n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6i n MET 141 N -4.45 0.26 -0.03 0.00 3.85 0.83 -1.22 117.12 116.35 1s6i n MET 141 Ca -0.30 0.00 0.03 0.00 -1.00 0.00 0.00 57.70 56.43 1s6i n MET 141 Cb 0.63 -1.10 0.04 0.00 -1.05 0.00 0.00 33.22 31.74 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 -0.60 0.93 0.00 3.17 0.00 -1.11 -4.90 117.12 114.61 1s6i n MET 142 Ca 0.01 -1.18 0.00 0.00 0.00 0.00 0.00 57.70 56.53 1s6i n MET 142 Cb 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 33.22 32.11 1s6i n MET 142 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1s6i n ARG 143 N 0.21 0.00 0.01 3.17 0.63 -0.36 -5.11 116.66 115.21 1s6i n ARG 143 Ca 0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1s6i n ARG 143 Cb 0.21 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.12 1s6i n ARG 143 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1s6i n LYS 144 N -0.55 0.00 0.00 -0.14 5.02 -1.19 -5.09 118.16 116.22 1s6i n LYS 144 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1s6i n LYS 144 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.98 1s6i n LYS 144 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1s6i n ARG 145 N -2.61 0.00 -3.63 1.97 1.85 -1.25 -4.88 116.66 108.11 1s6i n ARG 145 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 1s6i n ARG 145 Cb 0.00 -0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.34 1s6i n ARG 145 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1s6i s LYS 146 N -1.92 0.34 0.03 2.89 -2.85 -1.26 -4.53 119.74 112.44 1s6i s LYS 146 Ca 0.00 0.31 -0.28 0.00 -1.00 0.00 0.00 55.97 55.00 1s6i s LYS 146 Cb 0.00 0.17 -0.17 0.00 -2.06 0.00 0.00 37.83 35.77 1s6i s LYS 146 CO 0.00 -0.06 1.28 0.78 0.10 0.00 0.00 175.35 177.45 1s6i h GLY 147 N 3.43 -0.87 -6.38 0.59 0.00 -1.95 -3.41 103.07 94.49 1s6i h GLY 147 Ca -0.25 0.32 -0.60 0.00 0.00 0.00 0.00 47.33 46.81 1s6i h GLY 147 CO 0.17 -0.32 0.48 -1.31 0.00 0.00 0.00 176.54 175.56 1s6i s ASN 148 N -4.58 6.65 0.30 0.19 0.01 -1.26 -4.90 114.94 111.35 1s6i s ASN 148 Ca -0.15 0.56 0.20 0.00 -0.71 0.00 0.00 52.86 52.76 1s6i s ASN 148 Cb 0.02 -2.43 1.10 0.00 0.41 0.00 0.00 41.25 40.35 1s6i s ASN 148 CO 0.51 -0.74 1.62 0.61 -1.51 0.00 0.00 177.10 177.58 1s6i n GLY 149 N 4.34 -0.84 0.13 0.66 0.00 -1.26 -2.46 105.19 105.76 1s6i n GLY 149 Ca 0.05 0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 1s6i n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6i n GLY 150 N -1.31 -0.55 0.00 -0.02 0.00 -1.26 -4.89 105.19 97.16 1s6i n GLY 150 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1s6i n GLY 150 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s6i n ILE 151 N -4.05 0.00 0.00 -0.61 2.08 -1.03 -5.07 119.36 110.68 1s6i n ILE 151 Ca -0.45 0.02 0.00 0.00 0.56 0.00 0.00 62.75 62.88 1s6i n ILE 151 Cb 0.87 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 1s6i n ILE 151 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1s6i n GLY 152 N 2.66 0.36 2.45 7.39 0.00 -1.18 -4.94 105.19 111.93 1s6i n GLY 152 Ca 0.00 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 0.78 0.07 1.61 3.00 -1.26 -4.69 118.95 118.45 1s6i s ARG 153 Ca 0.00 -1.75 0.06 0.00 0.00 0.00 0.00 55.73 54.04 1s6i s ARG 153 Cb 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 34.95 33.64 1s6i s ARG 153 CO 0.00 -1.32 -0.16 1.03 0.00 0.00 0.00 175.30 174.85 1s6i s ARG 154 N 0.49 0.96 0.34 3.54 0.52 -1.26 -3.75 118.95 119.79 1s6i s ARG 154 Ca 0.27 -0.95 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1s6i s ARG 154 Cb -0.06 -1.04 0.60 0.00 0.52 0.00 0.00 34.95 34.97 1s6i s ARG 154 CO -0.12 0.24 1.85 0.00 0.02 0.00 0.00 175.30 177.30 1s6i h THR 155 N 4.31 1.21 -1.28 0.02 1.03 -1.95 -3.32 112.91 112.93 1s6i h THR 155 Ca -0.41 -0.89 -0.39 0.00 -0.01 0.00 0.00 66.41 64.71 1s6i h THR 155 Cb 1.18 1.09 -0.35 0.00 -1.07 0.00 0.00 68.15 69.00 1s6i h THR 155 CO 0.41 0.29 -1.05 0.23 -0.01 0.00 0.00 175.52 175.39 1s6i n MET 156 N -4.24 1.05 -1.69 0.00 2.81 -1.26 -5.11 117.12 108.68 1s6i n MET 156 Ca 0.01 -3.06 -0.45 0.00 -1.81 0.00 0.00 57.70 52.39 1s6i n MET 156 Cb 0.28 -1.34 -0.04 0.00 -0.71 0.00 0.00 33.22 31.42 1s6i n MET 156 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1s6i n ARG 157 N 0.10 2.45 -3.67 0.03 0.00 -1.25 -4.98 116.66 109.34 1s6i n ARG 157 Ca 0.15 0.89 -0.15 0.00 -0.00 0.00 0.00 57.85 58.74 1s6i n ARG 157 Cb 0.74 -2.71 -0.08 0.00 0.00 0.00 0.00 32.46 30.40 1s6i n ARG 157 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1s6i s LYS 158 N 1.83 0.76 0.00 -0.14 2.20 -1.26 -5.08 119.74 118.05 1s6i s LYS 158 Ca 0.81 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1s6i s LYS 158 Cb -0.59 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1s6i s LYS 158 CO 0.38 -0.19 0.34 2.41 -0.36 0.00 0.00 175.35 177.93 1s6i n THR 159 N 1.62 0.00 -3.15 3.43 -1.04 -1.26 -4.95 114.28 108.94 1s6i n THR 159 Ca -0.18 0.77 0.05 0.00 -2.04 0.00 0.00 64.05 62.65 1s6i n THR 159 Cb 0.56 -1.64 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 1s6i n THR 159 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1s6i s LEU 160 N -0.78 -0.90 0.00 -4.42 2.96 -1.26 -5.11 118.68 109.17 1s6i s LEU 160 Ca 0.00 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 1s6i s LEU 160 Cb 0.00 1.72 0.00 0.00 0.50 0.00 0.00 46.19 48.41 1s6i s LEU 160 CO 0.00 -0.17 0.00 -3.20 -1.32 0.00 0.00 176.35 171.66 1s6i n ASN 161 N 5.42 0.00 -1.52 3.68 5.15 -1.26 -5.11 115.26 121.63 1s6i n ASN 161 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1s6i n ASN 161 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1s6i n ASN 161 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1s6i n LEU 162 N 0.00 0.00 -0.01 1.20 4.77 -1.26 -4.98 117.00 116.72 1s6i n LEU 162 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1s6i n LEU 162 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1s6i n LEU 162 CO 0.00 0.00 0.18 0.03 -1.33 0.00 0.00 177.39 176.27 1s6i h ARG 163 N 0.00 0.14 -5.69 3.23 2.47 -1.94 -3.45 114.38 109.14 1s6i h ARG 163 Ca 0.00 -0.24 -0.66 0.00 -1.26 0.00 0.00 59.98 57.82 1s6i h ARG 163 Cb 0.00 0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 28.28 1s6i h ARG 163 CO 0.00 1.12 -0.57 0.16 0.56 0.00 0.00 179.97 181.24 1s6i s ASP 164 N -6.61 5.62 -0.13 7.04 -4.77 -1.26 -5.10 116.67 111.47 1s6i s ASP 164 Ca -0.17 0.20 -0.02 0.00 -3.30 0.00 0.00 52.55 49.27 1s6i s ASP 164 Cb -0.01 -1.76 -0.03 0.00 -1.09 0.00 0.00 42.92 40.03 1s6i s ASP 164 CO 0.75 0.33 -0.06 0.00 0.70 0.00 0.00 175.17 176.89 1s6i s ALA 165 N -0.56 2.93 0.00 2.11 0.00 -1.26 -4.97 121.76 120.01 1s6i s ALA 165 Ca 0.10 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1s6i s ALA 165 Cb -0.12 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1s6i s ALA 165 CO 0.02 0.32 0.45 1.28 0.00 0.00 0.00 175.76 177.83 1s6i n LEU 166 N 3.19 0.91 0.00 0.00 4.77 -1.26 -5.10 117.00 119.50 1s6i n LEU 166 Ca -0.18 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 1s6i n LEU 166 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1s6i n LEU 166 CO 0.31 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1s6i n GLY 167 N 0.03 -1.20 3.46 -0.72 0.00 -1.26 -5.05 105.19 100.44 1s6i n GLY 167 Ca 0.00 -1.15 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 1s6i n GLY 167 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1s6i s LEU 168 N 0.00 4.86 -0.08 0.99 2.34 -1.26 -4.99 118.68 120.54 1s6i s LEU 168 Ca 0.00 -1.90 0.05 0.00 0.06 0.00 0.00 54.13 52.34 1s6i s LEU 168 Cb 0.00 -2.42 -0.00 0.00 -0.56 0.00 0.00 46.19 43.21 1s6i s LEU 168 CO 0.00 -1.14 -0.23 -0.69 -1.06 0.00 0.00 176.35 173.23 1s6i s VAL 169 N 3.01 1.97 0.00 1.48 1.01 -1.26 -4.99 120.40 121.63 1s6i s VAL 169 Ca 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1s6i s VAL 169 Cb -0.05 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1s6i s VAL 169 CO -0.08 0.55 0.00 0.47 0.00 0.00 0.00 175.10 176.04 1s6i n ASP 170 N 3.27 0.58 -2.17 3.32 8.00 -1.26 -4.83 116.55 123.46 1s6i n ASP 170 Ca -0.18 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.11 1s6i n ASP 170 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1s6i n ASP 170 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s6i n ASN 171 N -2.44 6.29 0.00 -2.24 4.13 -1.26 -4.85 115.26 114.89 1s6i n ASN 171 Ca 0.00 -3.04 0.00 0.00 1.68 0.00 0.00 54.58 53.22 1s6i n ASN 171 Cb 0.21 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.27 1s6i n ASN 171 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s6i n GLY 172 N 0.88 4.21 0.28 7.41 0.00 -1.26 -5.15 105.19 111.56 1s6i n GLY 172 Ca 0.39 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 1s6i n GLY 172 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s6i n SER 173 N 0.00 -0.26 -0.81 1.61 3.41 -1.26 -5.04 113.62 111.26 1s6i n SER 173 Ca 0.00 -0.92 -0.03 0.00 -0.26 0.00 0.00 58.87 57.67 1s6i n SER 173 Cb 0.00 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.85 1s6i n SER 173 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1s6i n ASN 174 N -3.08 -0.32 -4.54 4.04 2.04 -1.26 -5.03 115.26 107.11 1s6i n ASN 174 Ca 0.01 -1.62 -0.43 0.00 -0.44 0.00 0.00 54.58 52.10 1s6i n ASN 174 Cb 0.04 0.08 -0.06 0.00 -2.53 0.00 0.00 39.78 37.31 1s6i n ASN 174 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1s6i s GLN 175 N 0.00 3.41 0.23 -3.83 -0.21 -1.26 -5.03 119.66 112.97 1s6i s GLN 175 Ca 0.04 -0.12 -0.30 0.00 0.02 0.00 0.00 55.36 55.00 1s6i s GLN 175 Cb 0.04 -3.93 -0.09 0.00 1.00 0.00 0.00 33.01 30.03 1s6i s GLN 175 CO -0.02 -1.09 1.19 0.08 -2.12 0.00 0.00 175.29 173.33 1s6i s VAL 176 N 3.22 3.41 0.05 1.09 1.01 -1.26 -5.00 120.40 122.92 1s6i s VAL 176 Ca 0.29 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.56 1s6i s VAL 176 Cb -0.12 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1s6i s VAL 176 CO 0.22 0.24 0.09 0.27 0.00 0.00 0.00 175.10 175.92 1s6i s ILE 177 N -0.50 4.64 -0.13 2.22 -5.25 -1.26 -5.11 121.20 115.81 1s6i s ILE 177 Ca 0.50 -0.62 -0.07 0.00 -0.99 0.00 0.00 60.65 59.47 1s6i s ILE 177 Cb -0.34 -3.20 0.05 0.00 2.95 0.00 0.00 42.46 41.93 1s6i s ILE 177 CO 0.40 0.20 0.31 -1.83 -1.79 0.00 0.00 174.94 172.23 1s6i s GLU 178 N -2.17 0.27 0.00 0.37 -1.05 -1.26 -4.94 118.70 109.92 1s6i s GLU 178 Ca 0.27 0.64 0.00 0.00 -0.15 0.00 0.00 54.97 55.73 1s6i s GLU 178 Cb -0.12 -0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.49 1s6i s GLU 178 CO 0.20 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 176.65 1s6i n GLY 179 N 4.30 -1.24 0.50 -3.83 0.00 -1.26 -5.01 105.19 98.66 1s6i n GLY 179 Ca -0.24 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1s6i n GLY 179 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1s6i n TYR 180 N 0.46 0.00 -1.71 1.61 0.18 -1.26 -4.63 117.16 111.81 1s6i n TYR 180 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1s6i n TYR 180 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1s6i n TYR 180 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1s6i n PHE 181 N 0.19 0.00 -0.53 -3.48 7.35 -1.26 -5.34 117.46 114.39 1s6i n PHE 181 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1s6i n PHE 181 Cb 0.42 0.04 0.00 0.00 0.35 0.00 0.00 39.48 40.29 1s6i n PHE 181 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17