#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s ARG 2 N 0.00 2.50 0.36 1.61 0.52 -0.32 -5.06 118.95 118.56 1n8r s ARG 2 Ca 0.00 -1.52 -0.28 0.00 -0.52 0.00 0.00 55.73 53.40 1n8r s ARG 2 Cb 0.00 -2.31 -0.11 0.00 0.52 0.00 0.00 34.95 33.06 1n8r s ARG 2 CO 0.00 -0.05 1.41 1.03 0.02 0.00 0.00 175.30 177.71 1n8r s ARG 3 N -4.01 4.20 0.81 3.54 1.81 -1.26 -4.79 118.95 119.25 1n8r s ARG 3 Ca 0.43 2.43 -0.12 0.00 -1.72 0.00 0.00 55.73 56.75 1n8r s ARG 3 Cb -0.03 -3.00 0.09 0.00 -0.45 0.00 0.00 34.95 31.56 1n8r s ARG 3 CO 0.26 -0.40 1.18 0.96 -0.68 0.00 0.00 175.30 176.62 1n8r s ILE 4 N -1.13 2.03 0.20 1.52 -4.36 -1.26 -4.89 121.20 113.30 1n8r s ILE 4 Ca 0.51 -0.03 -0.11 0.00 -0.26 0.00 0.00 60.65 60.76 1n8r s ILE 4 Cb -0.44 -3.00 0.12 0.00 1.25 0.00 0.00 42.46 40.40 1n8r s ILE 4 CO 0.59 0.00 1.85 -0.61 0.24 0.00 0.00 174.94 177.00 1n8r h GLN 5 N -1.06 0.80 0.00 0.37 4.15 -1.95 -1.87 115.11 115.55 1n8r h GLN 5 Ca -0.46 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1n8r h GLN 5 Cb 1.32 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.83 1n8r h GLN 5 CO 0.63 0.53 0.23 0.78 -1.93 0.00 0.00 178.83 179.06 1n8r h GLY 6 N 0.82 0.00 0.60 2.39 0.00 -1.99 0.33 103.07 105.22 1n8r h GLY 6 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.25 1n8r h GLY 6 CO -0.09 0.00 -1.99 -1.06 0.00 0.00 0.00 176.54 173.40 1n8r n GLN 7 N -2.37 0.67 0.06 4.80 6.02 -0.71 -4.00 117.38 121.85 1n8r n GLN 7 Ca -0.01 0.21 -0.12 0.00 -0.01 0.00 0.00 57.00 57.06 1n8r n GLN 7 Cb 0.26 -1.69 -0.07 0.00 1.02 0.00 0.00 30.24 29.77 1n8r n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n8r h ARG 8 N 0.01 -0.06 -0.97 -1.09 -0.00 -0.82 -3.09 114.38 108.36 1n8r h ARG 8 Ca -0.40 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.19 1n8r h ARG 8 Cb 2.06 0.01 -0.13 0.00 0.00 0.00 0.00 29.97 31.92 1n8r h ARG 8 CO 0.05 -0.04 -0.52 0.54 0.00 0.00 0.00 179.97 180.00 1n8r n ARG 9 N -5.13 -0.38 0.00 0.04 1.74 -0.83 -0.96 116.66 111.15 1n8r n ARG 9 Ca -0.07 1.47 0.22 0.00 -0.77 0.00 0.00 57.85 58.70 1n8r n ARG 9 Cb 0.06 -2.17 0.56 0.00 -1.02 0.00 0.00 32.46 29.89 1n8r n ARG 9 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1n8r h GLY 10 N 0.00 0.00 2.00 -0.13 0.00 -1.67 0.11 103.07 103.38 1n8r h GLY 10 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 1n8r h GLY 10 CO -0.92 0.00 -0.19 3.21 0.00 0.00 0.00 176.54 178.64 1n8r h ARG 11 N 0.00 0.00 -4.29 4.80 3.08 -1.17 -3.47 114.38 113.33 1n8r h ARG 11 Ca 0.29 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.10 1n8r h ARG 11 Cb 1.92 0.00 0.10 0.00 0.08 0.00 0.00 29.97 32.08 1n8r h ARG 11 CO -0.00 0.19 -0.48 0.41 -1.07 0.00 0.00 179.97 179.02 1n8r n GLY 12 N -0.35 -0.06 3.94 0.04 0.00 0.38 -5.03 105.19 104.11 1n8r n GLY 12 Ca -0.01 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1n8r n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n8r s THR 13 N -3.22 2.16 0.15 2.61 -4.23 -1.26 -4.81 115.64 107.04 1n8r s THR 13 Ca 0.17 -0.22 -0.26 0.00 -1.18 0.00 0.00 61.69 60.20 1n8r s THR 13 Cb -0.07 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.84 1n8r s THR 13 CO 0.48 0.00 1.58 -1.28 -0.54 0.00 0.00 174.62 174.86 1n8r h SER 14 N -0.88 -1.28 -1.30 3.99 0.87 -1.96 -1.23 113.55 111.76 1n8r h SER 14 Ca -0.43 0.20 0.39 0.00 -1.23 0.00 0.00 61.79 60.71 1n8r h SER 14 Cb 1.29 0.56 -0.10 0.00 -0.44 0.00 0.00 62.40 63.72 1n8r h SER 14 CO 0.53 -0.36 0.87 0.74 -0.53 0.00 0.00 176.83 178.08 1n8r h THR 15 N -0.33 0.27 -0.04 2.23 2.02 -2.00 -0.14 112.91 114.91 1n8r h THR 15 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1n8r h THR 15 Cb 0.58 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1n8r h THR 15 CO -0.52 0.03 0.00 0.49 0.37 0.00 0.00 175.52 175.88 1n8r n PHE 16 N -4.48 0.03 -2.49 3.16 3.01 -0.52 -4.39 117.46 111.78 1n8r n PHE 16 Ca 0.33 -0.01 -0.27 0.00 1.01 0.00 0.00 57.45 58.50 1n8r n PHE 16 Cb 1.32 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.81 1n8r n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1n8r s ARG 17 N -1.73 3.21 -0.07 -1.08 0.52 -0.07 -4.34 118.95 115.40 1n8r s ARG 17 Ca 0.25 0.10 -0.12 0.00 -0.52 0.00 0.00 55.73 55.44 1n8r s ARG 17 Cb 0.18 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 33.28 1n8r s ARG 17 CO 0.26 -0.48 0.30 0.00 0.02 0.00 0.00 175.30 175.40 1n8r s ALA 18 N -2.89 3.74 -0.14 2.13 0.00 -1.26 -4.35 121.76 119.00 1n8r s ALA 18 Ca 0.51 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 1n8r s ALA 18 Cb -0.10 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 1n8r s ALA 18 CO 0.45 0.46 1.19 -0.35 0.00 0.00 0.00 175.76 177.51 1n8r n PRO 19 N 2.20 0.50 -0.33 0.00 -0.04 -1.26 -4.63 135.00 131.43 1n8r n PRO 19 Ca -0.16 -0.47 0.15 0.00 -0.04 0.00 0.00 63.50 62.98 1n8r n PRO 19 Cb 0.53 -1.85 0.29 0.00 -0.04 0.00 0.00 33.50 32.43 1n8r n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n8r n SER 20 N 3.79 -0.10 0.11 3.54 7.64 -1.26 0.13 113.62 127.47 1n8r n SER 20 Ca 0.11 1.62 0.07 0.00 1.01 0.00 0.00 58.87 61.68 1n8r n SER 20 Cb 0.10 -0.60 0.39 0.00 -1.01 0.00 0.00 64.21 63.09 1n8r n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n8r n HIS 21 N -5.41 0.48 0.88 1.43 1.44 -1.26 -0.16 115.22 112.61 1n8r n HIS 21 Ca 0.23 0.25 0.09 0.00 -2.01 0.00 0.00 57.72 56.28 1n8r n HIS 21 Cb 0.75 -0.88 -0.06 0.00 0.12 0.00 0.00 29.99 29.92 1n8r n HIS 21 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1n8r n ARG 22 N -2.00 1.14 -2.37 -1.40 0.63 0.12 -4.98 116.66 107.80 1n8r n ARG 22 Ca -0.01 -0.45 -0.33 0.00 -0.92 0.00 0.00 57.85 56.14 1n8r n ARG 22 Cb 0.05 -1.38 -0.02 0.00 0.45 0.00 0.00 32.46 31.55 1n8r n ARG 22 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1n8r s TYR 23 N -2.50 3.14 -0.09 -0.14 4.12 0.77 -4.92 117.35 117.73 1n8r s TYR 23 Ca 0.11 1.53 -0.04 0.00 0.02 0.00 0.00 57.07 58.70 1n8r s TYR 23 Cb 0.15 -2.95 -0.01 0.00 -1.52 0.00 0.00 41.96 37.62 1n8r s TYR 23 CO 0.63 -0.73 -0.08 0.87 0.02 0.00 0.00 175.55 176.27 1n8r h LYS 24 N 1.07 0.00 -3.30 -0.62 1.57 -1.94 -3.50 116.57 109.84 1n8r h LYS 24 Ca -0.48 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 1n8r h LYS 24 Cb 1.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.36 1n8r h LYS 24 CO 0.59 0.00 -0.19 0.00 -0.57 0.00 0.00 179.45 179.28 1n8r s ALA 25 N -2.74 -0.77 -0.82 3.86 0.00 -1.26 -5.08 121.76 114.95 1n8r s ALA 25 Ca -0.06 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 1n8r s ALA 25 Cb 0.01 0.42 0.13 0.00 0.00 0.00 0.00 23.12 23.68 1n8r s ALA 25 CO 0.10 -0.48 1.00 0.34 0.00 0.00 0.00 175.76 176.71 1n8r s ASP 26 N -2.28 6.50 -0.07 0.00 -1.08 -1.26 -4.99 116.67 113.48 1n8r s ASP 26 Ca -0.02 -1.85 -0.29 0.00 -0.52 0.00 0.00 52.55 49.86 1n8r s ASP 26 Cb 0.00 -2.37 -0.07 0.00 -1.46 0.00 0.00 42.92 39.03 1n8r s ASP 26 CO -0.06 -1.08 1.95 -0.76 0.52 0.00 0.00 175.17 175.74 1n8r s LEU 27 N 2.64 4.11 -0.06 -1.34 1.43 -1.26 -4.95 118.68 119.24 1n8r s LEU 27 Ca 0.26 2.29 -0.10 0.00 -1.03 0.00 0.00 54.13 55.56 1n8r s LEU 27 Cb -0.10 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1n8r s LEU 27 CO -0.04 -1.30 0.24 -1.61 0.23 0.00 0.00 176.35 173.87 1n8r s GLU 28 N 4.92 0.41 0.47 1.70 2.02 -1.26 -4.94 118.70 122.02 1n8r s GLU 28 Ca 0.88 0.07 -0.25 0.00 0.02 0.00 0.00 54.97 55.69 1n8r s GLU 28 Cb -0.37 0.19 -0.08 0.00 0.10 0.00 0.00 34.13 33.97 1n8r s GLU 28 CO 0.37 -0.08 1.40 -1.01 0.02 0.00 0.00 175.26 175.95 1n8r s HIS 29 N -0.50 2.47 0.70 1.61 3.76 -1.00 -4.97 115.29 117.35 1n8r s HIS 29 Ca -0.06 1.30 -0.14 0.00 -0.15 0.00 0.00 55.06 56.02 1n8r s HIS 29 Cb -0.04 -3.86 0.02 0.00 1.11 0.00 0.00 32.58 29.81 1n8r s HIS 29 CO 0.01 -2.82 1.11 1.03 -0.85 0.00 0.00 174.74 173.22 1n8r s ARG 30 N -2.52 2.58 -0.14 1.40 0.52 -1.26 -4.77 118.95 114.75 1n8r s ARG 30 Ca 0.63 1.34 -0.14 0.00 -0.52 0.00 0.00 55.73 57.03 1n8r s ARG 30 Cb -0.42 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.08 1n8r s ARG 30 CO 0.53 -1.41 0.32 0.15 0.02 0.00 0.00 175.30 174.91 1n8r s LYS 31 N -4.34 4.22 -0.09 3.54 1.02 -1.26 -5.07 119.74 117.76 1n8r s LYS 31 Ca 0.65 0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.82 1n8r s LYS 31 Cb -0.20 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1n8r s LYS 31 CO 0.46 0.27 -0.18 0.08 -0.92 0.00 0.00 175.35 175.07 1n8r s VAL 32 N 0.35 1.60 0.18 3.17 1.01 -1.26 -5.01 120.40 120.43 1n8r s VAL 32 Ca 0.18 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 1n8r s VAL 32 Cb -0.13 -1.42 0.12 0.00 0.00 0.00 0.00 36.38 34.95 1n8r s VAL 32 CO 0.05 0.46 1.64 -0.33 0.00 0.00 0.00 175.10 176.92 1n8r h GLU 33 N 6.94 -0.05 0.00 2.72 3.07 -2.00 -3.48 114.58 121.79 1n8r h GLU 33 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1n8r h GLU 33 Cb 1.21 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1n8r h GLU 33 CO 0.48 -0.04 0.00 -3.47 -1.40 0.00 0.00 179.01 174.58 1n8r n ASP 34 N -5.36 0.00 0.00 1.42 -0.08 -1.26 -5.04 116.55 106.23 1n8r n ASP 34 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1n8r n ASP 34 Cb 0.27 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.73 1n8r n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n8r n GLY 35 N -1.00 2.23 2.49 0.27 0.00 -1.26 -4.45 105.19 103.46 1n8r n GLY 35 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1n8r n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n8r n ASP 36 N 1.34 0.00 -0.32 1.61 2.03 -1.26 -4.47 116.55 115.48 1n8r n ASP 36 Ca 0.00 0.00 0.27 0.00 0.52 0.00 0.00 54.79 55.58 1n8r n ASP 36 Cb 0.00 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 40.85 1n8r n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1n8r n VAL 37 N -2.00 -0.16 -1.70 5.18 0.24 -1.26 -4.33 118.33 114.30 1n8r n VAL 37 Ca 0.00 1.18 -0.56 0.00 -2.04 0.00 0.00 64.34 62.92 1n8r n VAL 37 Cb 0.00 -1.93 -0.07 0.00 -1.47 0.00 0.00 33.84 30.37 1n8r n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1n8r n ILE 38 N -3.95 0.32 -4.02 1.34 2.08 -1.26 -4.92 119.36 108.95 1n8r n ILE 38 Ca 0.27 -0.06 -0.10 0.00 0.56 0.00 0.00 62.75 63.42 1n8r n ILE 38 Cb 1.06 -1.30 -0.08 0.00 -0.75 0.00 0.00 39.64 38.58 1n8r n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n8r s ALA 39 N 3.34 0.22 0.34 -1.39 0.00 -1.26 -1.39 121.76 121.62 1n8r s ALA 39 Ca 0.96 -1.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 1n8r s ALA 39 Cb -1.00 0.94 0.06 0.00 0.00 0.00 0.00 23.12 23.11 1n8r s ALA 39 CO 0.62 -0.64 0.83 0.20 0.00 0.00 0.00 175.76 176.77 1n8r s GLY 40 N -3.00 0.28 -0.00 0.00 0.00 -0.82 -1.80 107.32 101.97 1n8r s GLY 40 Ca 0.21 -0.63 0.07 0.00 0.00 0.00 0.00 44.72 44.37 1n8r s GLY 40 CO 0.02 0.20 -0.21 -1.59 0.00 0.00 0.00 173.10 171.52 1n8r s THR 41 N -2.41 1.70 -0.53 0.90 2.01 0.76 -1.92 115.64 116.14 1n8r s THR 41 Ca 0.16 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.92 1n8r s THR 41 Cb -0.05 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1n8r s THR 41 CO 0.10 0.43 1.78 -0.69 -0.69 0.00 0.00 174.62 175.55 1n8r s VAL 42 N -0.56 3.45 -0.38 3.82 1.01 0.21 -0.90 120.40 127.05 1n8r s VAL 42 Ca 0.08 0.34 0.23 0.00 0.00 0.00 0.00 61.98 62.64 1n8r s VAL 42 Cb -0.08 -3.93 0.22 0.00 0.00 0.00 0.00 36.38 32.59 1n8r s VAL 42 CO -0.00 -0.81 1.42 0.58 0.00 0.00 0.00 175.10 176.28 1n8r h VAL 43 N 6.80 0.00 -1.02 2.92 2.07 -1.52 0.13 116.25 125.64 1n8r h VAL 43 Ca -0.28 -0.99 0.36 0.00 0.82 0.00 0.00 66.70 66.62 1n8r h VAL 43 Cb 1.15 1.82 -0.18 0.00 -1.52 0.00 0.00 31.29 32.56 1n8r h VAL 43 CO 1.17 0.00 0.99 -0.62 0.02 0.00 0.00 177.57 179.13 1n8r s ASP 44 N -5.89 -0.00 -0.17 0.57 2.15 -1.18 -4.90 116.67 107.25 1n8r s ASP 44 Ca 0.05 -0.00 0.01 0.00 0.43 0.00 0.00 52.55 53.04 1n8r s ASP 44 Cb 0.07 0.01 0.02 0.00 -0.30 0.00 0.00 42.92 42.71 1n8r s ASP 44 CO 0.71 -0.01 -0.20 -0.63 -0.17 0.00 0.00 175.17 174.87 1n8r s ILE 45 N -2.01 2.05 0.37 4.11 -1.09 -1.26 0.01 121.20 123.38 1n8r s ILE 45 Ca 0.13 -0.94 0.09 0.00 -2.23 0.00 0.00 60.65 57.70 1n8r s ILE 45 Cb 0.03 -1.85 -0.07 0.00 -1.58 0.00 0.00 42.46 39.00 1n8r s ILE 45 CO -0.04 0.54 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.57 1n8r s GLU 46 N 1.20 1.93 -0.13 2.79 2.02 0.21 -4.90 118.70 121.83 1n8r s GLU 46 Ca 0.03 -1.95 -0.19 0.00 0.02 0.00 0.00 54.97 52.88 1n8r s GLU 46 Cb -0.13 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.31 1n8r s GLU 46 CO -0.11 0.07 0.54 -1.58 0.02 0.00 0.00 175.26 174.19 1n8r s HIS 47 N -2.62 3.48 -0.45 1.61 5.65 -1.26 0.11 115.29 121.82 1n8r s HIS 47 Ca 0.34 0.93 -0.18 0.00 0.25 0.00 0.00 55.06 56.40 1n8r s HIS 47 Cb 0.04 -2.64 0.03 0.00 -1.18 0.00 0.00 32.58 28.84 1n8r s HIS 47 CO 0.18 0.07 0.49 0.34 -0.65 0.00 0.00 174.74 175.18 1n8r s ASP 48 N 0.80 6.21 0.61 9.88 2.15 -0.42 -4.89 116.67 131.01 1n8r s ASP 48 Ca 0.28 -0.75 0.31 0.00 0.43 0.00 0.00 52.55 52.82 1n8r s ASP 48 Cb -0.16 -2.24 1.80 0.00 -0.30 0.00 0.00 42.92 42.02 1n8r s ASP 48 CO 0.11 -0.67 2.15 -0.65 -0.17 0.00 0.00 175.17 175.94 1n8r h PRO 49 N 8.80 0.00 0.00 4.34 0.11 -1.91 0.23 132.00 143.57 1n8r h PRO 49 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1n8r h PRO 49 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n8r h PRO 49 CO 0.85 0.00 -0.95 0.00 -0.21 0.00 0.00 178.00 177.69 1n8r h ALA 50 N 1.79 0.56 0.00 -0.75 0.00 -1.91 -3.40 119.26 115.55 1n8r h ALA 50 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n8r h ALA 50 Cb 0.37 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1n8r h ALA 50 CO -0.00 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.89 1n8r n ARG 51 N -2.74 -0.27 -1.79 0.00 1.74 -0.39 -4.98 116.66 108.23 1n8r n ARG 51 Ca -0.01 -0.50 -0.14 0.00 -0.77 0.00 0.00 57.85 56.43 1n8r n ARG 51 Cb 0.58 -0.87 -0.04 0.00 -1.02 0.00 0.00 32.46 31.11 1n8r n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1n8r n SER 52 N -0.06 -3.85 -4.25 0.55 7.64 0.68 -4.76 113.62 109.57 1n8r n SER 52 Ca 0.00 0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.98 1n8r n SER 52 Cb 0.11 -3.45 -0.11 0.00 -1.01 0.00 0.00 64.21 59.75 1n8r n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n8r s ALA 53 N -2.36 1.53 0.75 -0.43 0.00 -1.24 -4.95 121.76 115.07 1n8r s ALA 53 Ca 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.46 1n8r s ALA 53 Cb 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1n8r s ALA 53 CO 0.00 0.04 1.12 -1.25 0.00 0.00 0.00 175.76 175.67 1n8r s PRO 54 N -3.06 2.23 -0.05 0.00 0.04 -1.26 -1.31 135.00 131.60 1n8r s PRO 54 Ca 0.12 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.48 1n8r s PRO 54 Cb -0.02 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1n8r s PRO 54 CO 0.03 -1.69 0.15 0.54 0.04 0.00 0.00 177.00 176.06 1n8r s VAL 55 N -2.56 0.01 -0.23 -0.36 0.11 0.31 -4.24 120.40 113.44 1n8r s VAL 55 Ca 0.66 -0.10 -0.10 0.00 -2.93 0.00 0.00 61.98 59.50 1n8r s VAL 55 Cb -0.21 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1n8r s VAL 55 CO 0.50 -0.06 0.16 0.00 -3.33 0.00 0.00 175.10 172.37 1n8r s ALA 56 N -0.13 3.63 -0.02 1.54 0.00 -0.20 0.65 121.76 127.22 1n8r s ALA 56 Ca -0.02 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1n8r s ALA 56 Cb -0.02 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1n8r s ALA 56 CO 0.00 -0.13 0.98 0.00 0.00 0.00 0.00 175.76 176.61 1n8r s ALA 57 N 0.92 3.20 0.05 0.00 0.00 0.10 0.22 121.76 126.24 1n8r s ALA 57 Ca 0.08 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1n8r s ALA 57 Cb -0.13 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1n8r s ALA 57 CO 0.03 -0.28 -0.15 0.08 0.00 0.00 0.00 175.76 175.45 1n8r s VAL 58 N 1.14 1.18 -0.27 0.00 1.01 -0.57 -1.27 120.40 121.62 1n8r s VAL 58 Ca 0.51 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1n8r s VAL 58 Cb -0.21 -1.07 0.03 0.00 0.00 0.00 0.00 36.38 35.13 1n8r s VAL 58 CO 0.26 -0.01 -0.02 -1.61 0.00 0.00 0.00 175.10 173.73 1n8r s GLU 59 N -1.24 2.83 0.47 2.72 2.02 -0.08 -1.99 118.70 123.42 1n8r s GLU 59 Ca 0.02 -1.00 -0.06 0.00 0.02 0.00 0.00 54.97 53.96 1n8r s GLU 59 Cb -0.08 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1n8r s GLU 59 CO 0.02 -0.44 0.78 -0.06 0.02 0.00 0.00 175.26 175.57 1n8r s PHE 60 N 1.35 3.55 0.14 1.61 0.40 0.11 -0.17 117.98 124.98 1n8r s PHE 60 Ca -0.00 0.83 -0.23 0.00 -0.60 0.00 0.00 56.93 56.92 1n8r s PHE 60 Cb -0.17 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.06 1n8r s PHE 60 CO -0.02 -0.25 1.63 0.93 0.70 0.00 0.00 175.22 178.21 1n8r h GLU 61 N 0.36 -0.28 -1.22 0.44 5.08 -1.66 -1.60 114.58 115.70 1n8r h GLU 61 Ca -0.47 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1n8r h GLU 61 Cb 1.20 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1n8r h GLU 61 CO 0.62 -0.18 0.00 -0.40 -1.00 0.00 0.00 179.01 178.05 1n8r n ASP 62 N -5.38 1.28 0.00 1.42 5.75 -1.26 -4.77 116.55 113.59 1n8r n ASP 62 Ca -0.02 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1n8r n ASP 62 Cb 0.30 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1n8r n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n8r n GLY 63 N 0.61 2.89 3.70 6.12 0.00 -0.60 -5.01 105.19 112.89 1n8r n GLY 63 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1n8r n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 64 N 0.33 3.64 -4.15 1.61 8.00 -1.25 -4.69 116.55 120.03 1n8r n ASP 64 Ca 0.00 1.08 -0.34 0.00 0.71 0.00 0.00 54.79 56.24 1n8r n ASP 64 Cb 0.00 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 39.43 1n8r n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1n8r s ARG 65 N 0.87 2.65 0.01 -1.24 6.06 -1.26 0.05 118.95 126.09 1n8r s ARG 65 Ca 0.75 -1.10 -0.01 0.00 -2.50 0.00 0.00 55.73 52.87 1n8r s ARG 65 Cb -0.57 -2.94 -0.01 0.00 0.06 0.00 0.00 34.95 31.49 1n8r s ARG 65 CO 0.36 -0.45 0.01 1.03 -2.50 0.00 0.00 175.30 173.75 1n8r s ARG 66 N 1.26 0.29 0.63 5.12 0.52 -0.84 -4.99 118.95 120.93 1n8r s ARG 66 Ca -0.02 -0.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.60 1n8r s ARG 66 Cb -0.17 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 1n8r s ARG 66 CO -0.05 -0.05 1.04 -0.51 0.02 0.00 0.00 175.30 175.74 1n8r s LEU 67 N -1.21 3.28 -0.01 2.53 1.43 -1.26 -1.51 118.68 121.93 1n8r s LEU 67 Ca -0.13 1.55 -0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1n8r s LEU 67 Cb -0.08 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1n8r s LEU 67 CO -0.00 -1.06 0.10 -0.63 0.23 0.00 0.00 176.35 174.99 1n8r s ILE 68 N -2.97 0.05 -0.49 -0.59 1.01 0.13 -4.78 121.20 113.56 1n8r s ILE 68 Ca 0.58 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 60.52 1n8r s ILE 68 Cb -0.12 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 1n8r s ILE 68 CO 0.49 -0.24 2.16 -0.22 0.00 0.00 0.00 174.94 177.13 1n8r s LEU 69 N -0.79 3.38 -0.36 2.97 2.96 -1.26 -1.03 118.68 124.55 1n8r s LEU 69 Ca -0.09 0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 54.47 1n8r s LEU 69 Cb -0.05 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1n8r s LEU 69 CO 0.01 -2.53 1.07 0.00 -1.32 0.00 0.00 176.35 173.57 1n8r s ALA 70 N 10.37 3.42 0.63 5.97 0.00 -1.26 -4.89 121.76 136.00 1n8r s ALA 70 Ca 0.86 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 1n8r s ALA 70 Cb -0.17 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1n8r s ALA 70 CO 0.26 -1.64 1.03 -2.14 0.00 0.00 0.00 175.76 173.27 1n8r s PRO 71 N 3.78 3.52 0.53 0.00 0.02 -1.26 -2.09 135.00 139.49 1n8r s PRO 71 Ca 0.45 0.80 -0.21 0.00 0.02 0.00 0.00 61.00 62.05 1n8r s PRO 71 Cb -0.11 -2.07 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 1n8r s PRO 71 CO 0.19 -0.64 1.13 -1.91 -0.33 0.00 0.00 177.00 175.44 1n8r n GLU 72 N -2.74 1.35 -0.73 5.54 2.13 0.14 -3.17 120.64 123.16 1n8r n GLU 72 Ca 0.06 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1n8r n GLU 72 Cb 0.54 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1n8r n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n8r n GLY 73 N 1.05 0.64 3.78 8.31 0.00 -1.26 -4.82 105.19 112.90 1n8r n GLY 73 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1n8r n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 74 N -2.03 5.39 0.32 1.61 1.01 -1.19 -5.07 120.40 120.44 1n8r s VAL 74 Ca 0.00 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1n8r s VAL 74 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1n8r s VAL 74 CO 0.00 0.49 0.08 0.61 0.00 0.00 0.00 175.10 176.29 1n8r n GLY 75 N 2.88 3.53 3.73 4.51 0.00 -1.26 -5.05 105.19 113.53 1n8r n GLY 75 Ca -0.16 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 1n8r n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 76 N -2.60 3.84 0.00 1.61 1.01 -1.26 -3.36 120.40 119.65 1n8r s VAL 76 Ca 0.12 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1n8r s VAL 76 Cb 0.01 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1n8r s VAL 76 CO 0.08 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1n8r n GLY 77 N 2.64 3.11 3.46 4.51 0.00 0.46 -5.00 105.19 114.37 1n8r n GLY 77 Ca 0.06 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1n8r n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n8r n ASP 78 N 0.56 -0.86 -4.38 1.61 9.92 -1.21 -4.44 116.55 117.76 1n8r n ASP 78 Ca 0.00 0.88 -0.35 0.00 -0.53 0.00 0.00 54.79 54.80 1n8r n ASP 78 Cb 0.00 -1.13 -0.13 0.00 -0.64 0.00 0.00 41.12 39.22 1n8r n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1n8r s GLU 79 N -1.66 3.49 0.27 -1.24 2.12 -1.26 -0.62 118.70 119.79 1n8r s GLU 79 Ca 0.64 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 55.46 1n8r s GLU 79 Cb -0.57 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1n8r s GLU 79 CO 0.58 -0.04 0.16 -0.51 -0.54 0.00 0.00 175.26 174.91 1n8r s LEU 80 N 1.08 3.61 0.00 2.70 1.43 -0.81 -4.96 118.68 121.74 1n8r s LEU 80 Ca 0.01 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1n8r s LEU 80 Cb -0.15 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1n8r s LEU 80 CO 0.00 -0.08 0.03 -1.10 0.23 0.00 0.00 176.35 175.43 1n8r s GLN 81 N -3.82 0.27 -0.09 1.70 -0.21 -1.26 -1.95 119.66 114.30 1n8r s GLN 81 Ca 0.34 -0.36 -0.00 0.00 0.02 0.00 0.00 55.36 55.35 1n8r s GLN 81 Cb -0.07 0.11 0.02 0.00 1.00 0.00 0.00 33.01 34.07 1n8r s GLN 81 CO 0.24 -0.05 -0.05 0.08 -2.12 0.00 0.00 175.29 173.39 1n8r s VAL 82 N -1.00 0.77 0.00 1.09 1.01 -0.48 -1.93 120.40 119.85 1n8r s VAL 82 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1n8r s VAL 82 Cb -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1n8r s VAL 82 CO -0.00 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1n8r n GLY 83 N 4.86 3.00 0.37 4.51 0.00 -0.78 -4.09 105.19 113.06 1n8r n GLY 83 Ca -0.12 -1.11 0.19 0.00 0.00 0.00 0.00 46.02 44.98 1n8r n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n8r h VAL 84 N 1.00 0.75 -0.58 1.61 2.07 -1.87 -0.13 116.25 119.10 1n8r h VAL 84 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1n8r h VAL 84 Cb 0.00 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1n8r h VAL 84 CO 0.00 0.00 0.13 0.47 0.02 0.00 0.00 177.57 178.19 1n8r n ASP 85 N -4.38 4.73 -4.76 0.57 8.00 -1.26 -4.90 116.55 114.53 1n8r n ASP 85 Ca 0.09 -3.16 -0.41 0.00 0.71 0.00 0.00 54.79 52.02 1n8r n ASP 85 Cb 0.57 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1n8r n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8r s ALA 86 N -2.93 3.47 1.15 2.24 0.00 -0.06 -4.98 121.76 120.64 1n8r s ALA 86 Ca 0.52 1.14 -0.18 0.00 0.00 0.00 0.00 51.96 53.44 1n8r s ALA 86 Cb 0.42 -3.43 0.16 0.00 0.00 0.00 0.00 23.12 20.26 1n8r s ALA 86 CO 0.12 -0.49 0.23 -1.91 0.00 0.00 0.00 175.76 173.72 1n8r n GLU 87 N 1.12 -1.96 -3.09 0.00 2.13 -1.26 -4.90 120.64 112.69 1n8r n GLU 87 Ca 0.00 -0.56 -0.36 0.00 0.66 0.00 0.00 57.16 56.90 1n8r n GLU 87 Cb 0.43 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 30.33 1n8r n GLU 87 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1n8r n ILE 88 N -4.62 4.32 -4.39 6.31 5.41 -1.26 -4.91 119.36 120.22 1n8r n ILE 88 Ca 0.01 -5.70 -0.23 0.00 1.00 0.00 0.00 62.75 57.84 1n8r n ILE 88 Cb 0.60 -1.96 -0.11 0.00 -0.71 0.00 0.00 39.64 37.46 1n8r n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n8r s ALA 89 N -2.95 2.33 0.48 -1.39 0.00 -1.26 -5.10 121.76 113.88 1n8r s ALA 89 Ca 0.36 -1.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.41 1n8r s ALA 89 Cb 0.12 -0.21 -0.08 0.00 0.00 0.00 0.00 23.12 22.95 1n8r s ALA 89 CO 0.02 0.24 1.17 -2.30 0.00 0.00 0.00 175.76 174.90 1n8r n PRO 90 N -0.15 1.55 0.00 0.00 -0.02 -1.26 -2.24 135.00 132.89 1n8r n PRO 90 Ca -0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1n8r n PRO 90 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1n8r n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8r n GLY 91 N 0.98 3.27 3.87 -1.23 0.00 -0.76 -4.98 105.19 106.34 1n8r n GLY 91 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1n8r n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n8r s ASN 92 N -0.61 6.66 -0.10 1.61 -0.87 -0.95 -4.69 114.94 115.99 1n8r s ASN 92 Ca 0.00 1.03 0.04 0.00 -1.57 0.00 0.00 52.86 52.35 1n8r s ASN 92 Cb 0.00 -2.27 -0.00 0.00 -0.02 0.00 0.00 41.25 38.96 1n8r s ASN 92 CO 0.00 -0.13 -0.23 -0.89 -2.57 0.00 0.00 177.10 173.28 1n8r s THR 93 N -1.90 2.17 0.03 1.60 2.01 -0.81 -1.65 115.64 117.09 1n8r s THR 93 Ca 0.49 -0.99 -0.28 0.00 0.31 0.00 0.00 61.69 61.23 1n8r s THR 93 Cb -0.11 -1.83 0.08 0.00 0.01 0.00 0.00 72.50 70.65 1n8r s THR 93 CO 0.21 0.56 0.68 -1.48 -0.69 0.00 0.00 174.62 173.90 1n8r s LEU 94 N 0.28 -0.59 0.39 4.42 2.34 -0.56 -1.87 118.68 123.10 1n8r s LEU 94 Ca -0.16 0.36 -0.25 0.00 0.06 0.00 0.00 54.13 54.14 1n8r s LEU 94 Cb -0.17 2.49 -0.12 0.00 -0.56 0.00 0.00 46.19 47.83 1n8r s LEU 94 CO 0.08 -0.74 0.94 -0.81 -1.06 0.00 0.00 176.35 174.76 1n8r n PRO 95 N 0.30 1.23 -0.02 1.48 -0.04 -1.26 -2.36 135.00 134.33 1n8r n PRO 95 Ca -0.17 0.44 0.24 0.00 -0.04 0.00 0.00 63.50 63.97 1n8r n PRO 95 Cb 0.61 -1.92 0.68 0.00 -0.04 0.00 0.00 33.50 32.83 1n8r n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1n8r h LEU 96 N 1.53 0.00 0.04 1.53 3.38 -0.51 -0.41 115.31 120.87 1n8r h LEU 96 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1n8r h LEU 96 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1n8r h LEU 96 CO 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 179.08 1n8r h ALA 97 N 1.28 -0.05 0.00 1.53 0.00 -1.61 -2.81 119.26 117.60 1n8r h ALA 97 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n8r h ALA 97 Cb 1.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1n8r h ALA 97 CO -0.00 -0.37 0.00 0.39 0.00 0.00 0.00 179.25 179.27 1n8r n GLU 98 N -4.96 0.30 -3.36 0.00 -0.58 -0.17 -4.72 120.64 107.14 1n8r n GLU 98 Ca -0.08 0.10 -0.38 0.00 -0.42 0.00 0.00 57.16 56.37 1n8r n GLU 98 Cb 0.18 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 1n8r n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1n8r s ILE 99 N -2.36 5.01 0.12 -3.67 -1.09 -1.06 -5.02 121.20 113.13 1n8r s ILE 99 Ca 0.17 0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 59.28 1n8r s ILE 99 Cb 0.10 -3.81 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 1n8r s ILE 99 CO 0.20 0.47 1.14 -2.16 -1.23 0.00 0.00 174.94 173.36 1n8r s PRO 100 N -0.40 4.51 0.73 2.79 0.04 -1.26 -4.99 135.00 136.42 1n8r s PRO 100 Ca 0.26 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.88 1n8r s PRO 100 Cb -0.17 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 1n8r s PRO 100 CO 0.14 -0.09 0.87 0.39 0.04 0.00 0.00 177.00 178.35 1n8r n GLU 101 N 3.15 0.44 -0.46 4.56 1.02 -1.26 -2.72 120.64 125.36 1n8r n GLU 101 Ca 0.06 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1n8r n GLU 101 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1n8r n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8r n GLY 102 N 1.20 0.97 3.81 0.62 0.00 0.12 -5.02 105.19 106.89 1n8r n GLY 102 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1n8r n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8r s VAL 103 N -3.04 5.44 0.18 1.61 1.01 -1.10 -4.92 120.40 119.58 1n8r s VAL 103 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1n8r s VAL 103 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 1n8r s VAL 103 CO 0.00 0.53 1.38 -2.84 0.00 0.00 0.00 175.10 174.17 1n8r s PRO 104 N -0.37 4.33 0.06 2.72 0.02 -1.26 -3.20 135.00 137.29 1n8r s PRO 104 Ca 0.13 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1n8r s PRO 104 Cb -0.12 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.18 1n8r s PRO 104 CO 0.02 -0.37 -0.05 0.08 -0.33 0.00 0.00 177.00 176.35 1n8r s VAL 105 N 0.46 0.41 0.15 3.83 1.01 -0.99 -0.08 120.40 125.19 1n8r s VAL 105 Ca 0.60 -1.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1n8r s VAL 105 Cb -0.38 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1n8r s VAL 105 CO 0.36 -0.73 0.06 0.00 0.00 0.00 0.00 175.10 174.78 1n8r n ASN 107 N -0.16 -3.65 -4.74 0.00 5.15 0.73 -1.52 115.26 111.06 1n8r n ASN 107 Ca -0.05 -1.02 -0.40 0.00 -0.60 0.00 0.00 54.58 52.51 1n8r n ASN 107 Cb 0.64 -3.23 -0.05 0.00 -0.53 0.00 0.00 39.78 36.61 1n8r n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1n8r s VAL 108 N -3.62 4.64 0.49 3.44 1.01 -0.45 -4.20 120.40 121.72 1n8r s VAL 108 Ca 0.32 1.73 -0.20 0.00 0.00 0.00 0.00 61.98 63.82 1n8r s VAL 108 Cb -0.12 -4.16 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1n8r s VAL 108 CO 0.87 0.37 1.05 -1.61 0.00 0.00 0.00 175.10 175.78 1n8r s GLU 109 N -0.17 3.77 -0.01 2.72 2.02 -0.82 0.46 118.70 126.67 1n8r s GLU 109 Ca 0.40 1.39 0.07 0.00 0.02 0.00 0.00 54.97 56.85 1n8r s GLU 109 Cb -0.21 -2.10 -0.24 0.00 0.10 0.00 0.00 34.13 31.68 1n8r s GLU 109 CO 0.25 -0.47 0.79 1.03 0.02 0.00 0.00 175.26 176.88 1n8r h SER 110 N 1.55 0.11 -3.44 -0.19 0.87 -1.92 -3.45 113.55 107.08 1n8r h SER 110 Ca -0.50 -0.18 -0.24 0.00 -1.23 0.00 0.00 61.79 59.64 1n8r h SER 110 Cb 1.22 -0.04 -0.31 0.00 -0.44 0.00 0.00 62.40 62.84 1n8r h SER 110 CO 0.59 1.16 -0.59 -0.94 -0.53 0.00 0.00 176.83 176.52 1n8r s SER 111 N -6.46 -0.12 -0.33 6.23 1.04 -1.26 -4.81 113.70 107.99 1n8r s SER 111 Ca -0.06 0.31 -0.32 0.00 0.48 0.00 0.00 55.95 56.36 1n8r s SER 111 Cb 0.08 0.20 -0.14 0.00 0.10 0.00 0.00 66.02 66.26 1n8r s SER 111 CO 0.82 -0.15 1.08 -0.81 0.98 0.00 0.00 173.24 175.17 1n8r n PRO 112 N 4.17 0.00 0.00 4.02 -0.04 -1.26 -1.61 135.00 140.28 1n8r n PRO 112 Ca -0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1n8r n PRO 112 Cb 0.52 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1n8r n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n8r n GLY 113 N 2.69 0.71 0.00 0.55 0.00 -1.26 -4.92 105.19 102.96 1n8r n GLY 113 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1n8r n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n8r n ASP 114 N 0.00 0.00 0.00 1.61 5.68 -0.63 -4.86 116.55 118.35 1n8r n ASP 114 Ca 0.00 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.40 1n8r n ASP 114 Cb 0.00 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.70 1n8r n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n8r n GLY 115 N -0.23 0.49 0.02 6.12 0.00 -1.26 -4.87 105.19 105.47 1n8r n GLY 115 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1n8r n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 116 N -2.90 -0.46 0.58 -0.02 0.00 -1.26 -2.38 105.19 98.74 1n8r n GLY 116 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1n8r n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n8r n LYS 117 N 1.53 0.00 -2.99 1.61 4.76 0.17 -4.84 118.16 118.40 1n8r n LYS 117 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1n8r n LYS 117 Cb 0.00 -0.59 -0.04 0.00 -1.84 0.00 0.00 35.03 32.56 1n8r n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1n8r s PHE 118 N -1.76 3.45 -0.08 2.13 2.99 -0.27 -4.72 117.98 119.72 1n8r s PHE 118 Ca 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 56.93 57.96 1n8r s PHE 118 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 43.02 40.60 1n8r s PHE 118 CO 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 175.22 175.21 1n8r n ALA 119 N -1.00 -2.37 -1.11 5.36 0.00 -1.26 -1.34 120.51 118.79 1n8r n ALA 119 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1n8r n ALA 119 Cb 0.54 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1n8r n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n8r n ARG 120 N 1.17 0.00 -2.49 0.00 1.74 -1.26 0.26 116.66 116.07 1n8r n ARG 120 Ca -0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1n8r n ARG 120 Cb 0.36 -0.34 0.02 0.00 -1.02 0.00 0.00 32.46 31.49 1n8r n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n8r s ALA 121 N 0.00 3.36 -0.49 7.54 0.00 -1.26 -4.94 121.76 125.97 1n8r s ALA 121 Ca 0.00 -0.68 -0.46 0.00 0.00 0.00 0.00 51.96 50.83 1n8r s ALA 121 Cb 0.00 -2.57 -0.19 0.00 0.00 0.00 0.00 23.12 20.36 1n8r s ALA 121 CO 0.00 -0.66 1.77 0.43 0.00 0.00 0.00 175.76 177.30 1n8r n SER 122 N -2.47 1.14 -0.70 0.00 7.64 -1.26 -1.91 113.62 116.07 1n8r n SER 122 Ca 0.03 1.03 -0.09 0.00 1.01 0.00 0.00 58.87 60.85 1n8r n SER 122 Cb 0.57 -0.90 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 1n8r n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n8r n GLY 123 N 5.05 0.91 3.98 0.23 0.00 0.20 -4.54 105.19 111.02 1n8r n GLY 123 Ca 0.38 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1n8r n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n8r s VAL 124 N -1.87 2.41 -0.17 1.61 -7.23 -0.80 -4.69 120.40 109.67 1n8r s VAL 124 Ca 0.00 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1n8r s VAL 124 Cb 0.00 -2.80 0.13 0.00 0.56 0.00 0.00 36.38 34.27 1n8r s VAL 124 CO 0.00 0.00 1.00 0.54 -0.31 0.00 0.00 175.10 176.33 1n8r s ASN 125 N -4.56 -0.37 0.68 4.85 2.20 -1.26 -1.57 114.94 114.90 1n8r s ASN 125 Ca 0.61 0.42 -0.02 0.00 -0.94 0.00 0.00 52.86 52.94 1n8r s ASN 125 Cb -0.08 0.33 0.10 0.00 -2.00 0.00 0.00 41.25 39.59 1n8r s ASN 125 CO 0.41 -0.33 0.95 0.00 -2.94 0.00 0.00 177.10 175.19 1n8r s ALA 126 N -1.04 3.63 -0.19 3.54 0.00 0.68 -3.89 121.76 124.48 1n8r s ALA 126 Ca -0.01 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.42 1n8r s ALA 126 Cb -0.01 -2.13 0.06 0.00 0.00 0.00 0.00 23.12 21.04 1n8r s ALA 126 CO 0.01 -1.28 0.06 -1.14 0.00 0.00 0.00 175.76 173.41 1n8r s GLN 127 N -5.08 0.41 -0.22 0.00 2.00 -0.01 -2.35 119.66 114.40 1n8r s GLN 127 Ca 0.63 -0.29 -0.29 0.00 -2.00 0.00 0.00 55.36 53.41 1n8r s GLN 127 Cb -0.07 -2.00 -0.01 0.00 0.80 0.00 0.00 33.01 31.73 1n8r s GLN 127 CO 0.43 -0.66 1.32 -1.17 -0.50 0.00 0.00 175.29 174.71 1n8r s LEU 128 N 1.97 4.04 -0.08 3.68 2.96 -1.20 -0.95 118.68 129.10 1n8r s LEU 128 Ca 0.00 1.50 -0.09 0.00 -0.22 0.00 0.00 54.13 55.32 1n8r s LEU 128 Cb -0.17 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1n8r s LEU 128 CO -0.09 -0.94 -0.17 0.18 -1.32 0.00 0.00 176.35 174.02 1n8r n LEU 129 N 7.19 1.06 -4.64 -0.68 4.77 -0.19 -0.70 117.00 123.81 1n8r n LEU 129 Ca 0.15 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.98 1n8r n LEU 129 Cb 0.46 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1n8r n LEU 129 CO 0.60 -0.41 -0.36 -0.89 -1.33 0.00 0.00 177.39 175.00 1n8r s THR 130 N -2.03 3.88 0.27 -5.08 2.01 -1.15 -4.50 115.64 109.03 1n8r s THR 130 Ca -0.14 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1n8r s THR 130 Cb 0.02 -2.73 0.03 0.00 0.01 0.00 0.00 72.50 69.83 1n8r s THR 130 CO 0.21 0.34 0.21 1.41 -0.69 0.00 0.00 174.62 176.10 1n8r n HIS 131 N 1.33 -1.18 0.00 4.92 8.25 -1.26 -1.13 115.22 126.15 1n8r n HIS 131 Ca -0.14 -1.11 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1n8r n HIS 131 Cb 0.52 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1n8r n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1n8r n ASP 132 N -1.98 0.00 0.10 0.41 -0.08 -1.21 -4.82 116.55 108.98 1n8r n ASP 132 Ca -0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1n8r n ASP 132 Cb 0.30 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.76 1n8r n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1n8r n ARG 133 N -0.76 0.60 -0.07 -0.67 1.74 -1.26 -4.52 116.66 111.73 1n8r n ARG 133 Ca 0.00 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.06 1n8r n ARG 133 Cb 0.00 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.58 1n8r n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1n8r n ASN 134 N -2.65 1.55 -4.18 0.55 3.02 -1.26 -4.90 115.26 107.40 1n8r n ASN 134 Ca -0.00 0.10 -0.27 0.00 -0.03 0.00 0.00 54.58 54.38 1n8r n ASN 134 Cb 0.55 -0.34 -0.16 0.00 -0.61 0.00 0.00 39.78 39.22 1n8r n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1n8r s VAL 135 N -2.25 1.55 -0.27 2.41 0.11 -1.26 -4.24 120.40 116.46 1n8r s VAL 135 Ca -0.18 -0.81 -0.05 0.00 -2.93 0.00 0.00 61.98 58.01 1n8r s VAL 135 Cb 0.06 -1.31 0.01 0.00 -1.53 0.00 0.00 36.38 33.61 1n8r s VAL 135 CO 0.25 0.44 0.02 0.00 -3.33 0.00 0.00 175.10 172.49 1n8r s ALA 136 N -0.22 2.95 -0.31 1.54 0.00 0.29 -3.30 121.76 122.71 1n8r s ALA 136 Ca 0.02 -1.37 -0.19 0.00 0.00 0.00 0.00 51.96 50.42 1n8r s ALA 136 Cb -0.10 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 1n8r s ALA 136 CO 0.01 -0.76 0.57 0.08 0.00 0.00 0.00 175.76 175.66 1n8r s VAL 137 N 1.47 4.99 -0.10 0.00 1.01 -0.29 -0.06 120.40 127.42 1n8r s VAL 137 Ca 0.03 0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.78 1n8r s VAL 137 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1n8r s VAL 137 CO -0.00 -0.11 -0.23 -0.69 0.00 0.00 0.00 175.10 174.08 1n8r s VAL 138 N 2.49 1.97 -0.41 2.92 1.01 0.65 -1.02 120.40 128.01 1n8r s VAL 138 Ca 0.23 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 1n8r s VAL 138 Cb -0.15 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1n8r s VAL 138 CO 0.12 0.54 0.79 -0.75 0.00 0.00 0.00 175.10 175.80 1n8r s LYS 139 N 0.44 3.57 0.38 2.72 2.20 -0.13 -0.04 119.74 128.88 1n8r s LYS 139 Ca -0.17 0.10 -0.17 0.00 -0.36 0.00 0.00 55.97 55.37 1n8r s LYS 139 Cb -0.17 -3.88 -0.09 0.00 -1.51 0.00 0.00 37.83 32.17 1n8r s LYS 139 CO 0.07 -1.00 0.83 -0.51 -0.36 0.00 0.00 175.35 174.38 1n8r s LEU 140 N 3.23 3.96 0.60 5.43 1.43 -0.28 -0.83 118.68 132.22 1n8r s LEU 140 Ca 0.31 1.43 0.29 0.00 -1.03 0.00 0.00 54.13 55.13 1n8r s LEU 140 Cb -0.12 -4.27 1.01 0.00 0.03 0.00 0.00 46.19 42.84 1n8r s LEU 140 CO 0.20 -0.31 1.33 1.55 0.23 0.00 0.00 176.35 179.35 1n8r h PRO 141 N 1.92 0.00 0.00 1.29 0.13 -1.90 2.41 132.00 135.85 1n8r h PRO 141 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1n8r h PRO 141 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1n8r h PRO 141 CO 0.63 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.06 1n8r h SER 142 N 0.00 0.00 0.00 1.44 4.64 -1.93 -3.46 113.55 114.24 1n8r h SER 142 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1n8r h SER 142 Cb 3.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 65.13 1n8r h SER 142 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1n8r n GLY 143 N 0.45 0.52 3.78 -0.77 0.00 0.81 -5.08 105.19 104.91 1n8r n GLY 143 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1n8r n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n8r s GLU 144 N -0.93 4.48 -0.65 1.61 2.12 -1.17 -4.76 118.70 119.39 1n8r s GLU 144 Ca 0.00 1.43 -0.22 0.00 0.36 0.00 0.00 54.97 56.54 1n8r s GLU 144 Cb 0.00 -2.77 0.08 0.00 0.26 0.00 0.00 34.13 31.70 1n8r s GLU 144 CO 0.00 0.16 0.90 -1.64 -0.54 0.00 0.00 175.26 174.14 1n8r s MET 145 N -2.11 3.10 -0.20 4.30 -1.94 -1.26 -1.13 119.30 120.06 1n8r s MET 145 Ca 0.52 -0.98 -0.16 0.00 -1.71 0.00 0.00 55.69 53.36 1n8r s MET 145 Cb -0.21 -4.25 -0.04 0.00 2.01 0.00 0.00 34.83 32.34 1n8r s MET 145 CO 0.27 -1.75 0.42 0.21 -0.01 0.00 0.00 175.02 174.16 1n8r s LYS 146 N 3.68 4.18 -0.19 2.03 2.47 0.94 -4.91 119.74 127.95 1n8r s LYS 146 Ca 0.19 0.25 -0.21 0.00 -1.56 0.00 0.00 55.97 54.65 1n8r s LYS 146 Cb -0.19 -3.54 -0.03 0.00 -1.46 0.00 0.00 37.83 32.62 1n8r s LYS 146 CO 0.09 -0.05 0.62 1.03 0.16 0.00 0.00 175.35 177.19 1n8r s ARG 147 N 1.34 4.22 0.11 4.03 0.52 -1.26 -0.25 118.95 127.66 1n8r s ARG 147 Ca 0.20 0.60 0.06 0.00 -0.52 0.00 0.00 55.73 56.08 1n8r s ARG 147 Cb -0.15 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1n8r s ARG 147 CO 0.08 -0.21 -0.15 -0.51 0.02 0.00 0.00 175.30 174.53 1n8r s LEU 148 N 1.82 2.37 0.07 2.53 1.43 0.92 -4.92 118.68 122.89 1n8r s LEU 148 Ca 0.28 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 1n8r s LEU 148 Cb -0.16 -0.60 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 1n8r s LEU 148 CO 0.10 -0.10 1.71 -0.62 0.23 0.00 0.00 176.35 177.68 1n8r s ASP 149 N -2.28 6.56 0.48 2.29 -1.08 -1.26 0.10 116.67 121.48 1n8r s ASP 149 Ca 0.07 2.53 0.24 0.00 -0.52 0.00 0.00 52.55 54.87 1n8r s ASP 149 Cb -0.06 -2.56 1.28 0.00 -1.46 0.00 0.00 42.92 40.12 1n8r s ASP 149 CO 0.03 -0.93 1.69 1.55 0.52 0.00 0.00 175.17 178.03 1n8r h PRO 150 N 8.67 0.00 0.00 4.34 0.13 -1.89 0.22 132.00 143.46 1n8r h PRO 150 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1n8r h PRO 150 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1n8r h PRO 150 CO 0.94 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.65 1n8r n GLN 151 N -2.49 0.08 -2.01 0.86 -0.06 -1.26 -1.70 117.38 110.80 1n8r n GLN 151 Ca -0.02 0.13 -0.42 0.00 -2.00 0.00 0.00 57.00 54.69 1n8r n GLN 151 Cb 0.27 -1.60 -0.03 0.00 -4.06 0.00 0.00 30.24 24.82 1n8r n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1n8r s ARG 153 N 1.83 4.01 0.20 0.00 0.52 -1.26 -0.87 118.95 123.37 1n8r s ARG 153 Ca 0.70 0.87 -0.16 0.00 -0.52 0.00 0.00 55.73 56.63 1n8r s ARG 153 Cb -0.40 -2.24 0.02 0.00 0.52 0.00 0.00 34.95 32.85 1n8r s ARG 153 CO 0.31 -0.10 0.48 0.00 0.02 0.00 0.00 175.30 176.01 1n8r s ALA 154 N -2.36 -0.70 -0.12 2.13 0.00 -1.00 -1.95 121.76 117.76 1n8r s ALA 154 Ca 0.58 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.11 1n8r s ALA 154 Cb -0.10 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1n8r s ALA 154 CO 0.24 -0.78 -0.05 0.99 0.00 0.00 0.00 175.76 176.16 1n8r s THR 155 N -3.90 3.82 0.18 0.00 2.01 -0.57 -1.49 115.64 115.68 1n8r s THR 155 Ca 0.12 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1n8r s THR 155 Cb -0.00 -2.63 -0.08 0.00 0.01 0.00 0.00 72.50 69.80 1n8r s THR 155 CO -0.01 0.53 1.20 -0.63 -0.69 0.00 0.00 174.62 175.02 1n8r s ILE 156 N -0.06 3.59 0.00 1.82 1.01 -0.66 -0.14 121.20 126.75 1n8r s ILE 156 Ca 0.01 1.33 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1n8r s ILE 156 Cb -0.13 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1n8r s ILE 156 CO 0.03 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1n8r n GLY 157 N 2.22 1.31 3.85 6.18 0.00 0.89 -1.83 105.19 117.81 1n8r n GLY 157 Ca 0.04 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 1n8r n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n8r s VAL 158 N -1.51 5.11 0.30 1.61 -7.23 -1.26 -3.01 120.40 114.41 1n8r s VAL 158 Ca 0.00 -0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 1n8r s VAL 158 Cb 0.00 -3.36 -0.11 0.00 0.56 0.00 0.00 36.38 33.47 1n8r s VAL 158 CO 0.00 0.36 1.61 -0.69 -0.31 0.00 0.00 175.10 176.06 1n8r s VAL 159 N -1.24 2.00 1.24 1.32 1.01 -0.61 0.24 120.40 124.36 1n8r s VAL 159 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 1n8r s VAL 159 Cb -0.12 -3.00 0.30 0.00 0.00 0.00 0.00 36.38 33.56 1n8r s VAL 159 CO 0.15 0.00 0.68 0.61 0.00 0.00 0.00 175.10 176.54 1n8r n GLY 160 N 2.10 -3.29 2.65 4.51 0.00 -0.89 -1.02 105.19 109.26 1n8r n GLY 160 Ca 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1n8r n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 161 N -4.07 0.21 3.24 -0.02 0.00 -1.26 -0.63 105.19 102.66 1n8r n GLY 161 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1n8r n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 162 N -0.63 -3.13 2.72 -0.02 0.00 -1.26 -3.22 105.19 99.65 1n8r n GLY 162 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1n8r n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 163 N 2.49 0.48 0.26 -0.02 0.00 -1.26 -4.87 105.19 102.27 1n8r n GLY 163 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1n8r n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1n8r h ARG 164 N 1.22 0.50 0.00 1.61 2.43 -1.90 -0.68 114.38 117.57 1n8r h ARG 164 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1n8r h ARG 164 Cb 0.19 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1n8r h ARG 164 CO 0.00 0.33 -0.00 1.15 -1.51 0.00 0.00 179.97 179.94 1n8r h THR 165 N 0.52 0.03 0.00 0.20 2.02 -1.90 -3.16 112.91 110.61 1n8r h THR 165 Ca 0.36 -0.01 -0.04 0.00 0.77 0.00 0.00 66.41 67.48 1n8r h THR 165 Cb 0.44 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1n8r h THR 165 CO -0.31 0.00 -0.21 0.44 0.37 0.00 0.00 175.52 175.81 1n8r h ASP 166 N 0.00 0.00 -3.26 4.18 3.32 -1.52 -3.42 116.42 115.72 1n8r h ASP 166 Ca -0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1n8r h ASP 166 Cb 0.01 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1n8r h ASP 166 CO 0.00 0.21 -0.46 -0.75 -1.72 0.00 0.00 179.24 176.52 1n8r s LYS 167 N -4.46 4.18 0.49 3.56 2.20 -1.20 -5.08 119.74 119.43 1n8r s LYS 167 Ca -0.03 -0.16 -0.22 0.00 -0.36 0.00 0.00 55.97 55.19 1n8r s LYS 167 Cb 0.15 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 1n8r s LYS 167 CO 0.68 0.30 1.21 -1.25 -0.36 0.00 0.00 175.35 175.93 1n8r s PRO 168 N 0.34 3.58 0.50 4.03 0.04 -1.26 -4.92 135.00 137.30 1n8r s PRO 168 Ca 0.10 1.88 0.22 0.00 0.04 0.00 0.00 61.00 63.24 1n8r s PRO 168 Cb -0.11 -2.34 1.29 0.00 0.04 0.00 0.00 34.50 33.37 1n8r s PRO 168 CO -0.01 -0.73 2.05 0.74 0.04 0.00 0.00 177.00 179.09 1n8r h PHE 169 N 1.85 0.00 0.00 0.56 -1.00 -1.98 -3.45 116.94 112.92 1n8r h PHE 169 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1n8r h PHE 169 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 1n8r h PHE 169 CO 0.51 0.14 0.00 0.28 -1.61 0.00 0.00 178.31 177.63 1n8r n VAL 170 N -3.94 0.00 -3.96 -0.55 0.31 -1.26 -4.72 118.33 104.21 1n8r n VAL 170 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 1n8r n VAL 170 Cb 0.23 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.03 1n8r n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1n8r s LYS 171 N 0.00 0.18 0.30 5.55 -2.85 -1.26 -5.04 119.74 116.62 1n8r s LYS 171 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 55.97 54.75 1n8r s LYS 171 Cb 0.00 -0.08 0.67 0.00 -2.06 0.00 0.00 37.83 36.37 1n8r s LYS 171 CO 0.00 0.01 1.55 0.00 0.10 0.00 0.00 175.35 177.02 1n8r n ALA 172 N 2.64 0.43 -0.33 0.59 0.00 -1.26 0.00 120.51 122.58 1n8r n ALA 172 Ca -0.15 1.07 0.24 0.00 0.00 0.00 0.00 53.44 54.60 1n8r n ALA 172 Cb 0.58 -0.74 0.47 0.00 0.00 0.00 0.00 19.45 19.76 1n8r n ALA 172 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1n8r h GLY 173 N 0.00 1.97 1.37 0.00 0.00 -1.96 0.63 103.07 105.08 1n8r h GLY 173 Ca 0.57 -0.16 -0.23 0.00 0.00 0.00 0.00 47.33 47.50 1n8r h GLY 173 CO -0.96 -0.56 -0.91 3.43 0.00 0.00 0.00 176.54 177.54 1n8r h ASN 174 N 0.20 0.74 0.03 0.19 2.35 -0.71 -3.05 115.58 115.33 1n8r h ASN 174 Ca 0.73 -0.55 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1n8r h ASN 174 Cb 1.71 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.86 1n8r h ASN 174 CO -0.68 1.34 -0.01 0.11 -1.65 0.00 0.00 177.43 176.54 1n8r h LYS 175 N 0.36 -0.04 -0.10 0.81 1.79 -0.97 -2.85 116.57 115.57 1n8r h LYS 175 Ca -0.08 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1n8r h LYS 175 Cb 1.54 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 1n8r h LYS 175 CO 0.17 0.12 -0.06 1.58 -1.08 0.00 0.00 179.45 180.18 1n8r n HIS 176 N -5.04 -0.04 -0.21 -1.35 -0.00 0.01 -0.38 115.22 108.22 1n8r n HIS 176 Ca -0.08 0.12 0.18 0.00 0.46 0.00 0.00 57.72 58.41 1n8r n HIS 176 Cb 0.11 -0.39 0.53 0.00 -0.12 0.00 0.00 29.99 30.12 1n8r n HIS 176 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1n8r h HIS 177 N 0.00 0.47 0.32 1.57 3.86 -1.51 -0.63 115.15 119.24 1n8r h HIS 177 Ca 0.02 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1n8r h HIS 177 Cb 0.04 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1n8r h HIS 177 CO -0.68 0.15 -0.16 -0.22 0.86 0.00 0.00 177.93 177.88 1n8r h LYS 178 N 0.37 -0.42 -1.01 2.45 3.64 -0.53 -3.29 116.57 117.79 1n8r h LYS 178 Ca 0.43 0.03 0.28 0.00 -1.27 0.00 0.00 60.65 60.11 1n8r h LYS 178 Cb 1.09 0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.87 1n8r h LYS 178 CO -0.14 -0.11 0.59 1.98 -2.27 0.00 0.00 179.45 179.50 1n8r h MET 179 N -0.96 0.46 0.00 1.90 4.05 0.26 0.69 114.93 121.33 1n8r h MET 179 Ca -0.04 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1n8r h MET 179 Cb 0.51 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1n8r h MET 179 CO 0.07 0.30 0.02 -0.22 0.23 0.00 0.00 176.91 177.32 1n8r h LYS 180 N 0.47 0.00 -0.61 0.39 3.64 -1.21 -0.35 116.57 118.90 1n8r h LYS 180 Ca 0.68 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.06 1n8r h LYS 180 Cb 1.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1n8r h LYS 180 CO -0.52 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 176.66 1n8r n ALA 181 N -1.97 2.76 -2.39 5.00 0.00 0.23 -4.75 120.51 119.39 1n8r n ALA 181 Ca -0.02 -1.51 -0.20 0.00 0.00 0.00 0.00 53.44 51.71 1n8r n ALA 181 Cb 0.08 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1n8r n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n8r s ARG 182 N -1.57 1.46 -1.33 0.00 1.81 -0.14 -4.71 118.95 114.46 1n8r s ARG 182 Ca 0.46 -1.73 -0.12 0.00 -1.72 0.00 0.00 55.73 52.62 1n8r s ARG 182 Cb 0.28 -0.97 0.11 0.00 -0.45 0.00 0.00 34.95 33.92 1n8r s ARG 182 CO 0.25 0.01 1.93 0.41 -0.68 0.00 0.00 175.30 177.21 1n8r n GLY 183 N -0.51 4.22 3.31 -3.53 0.00 -1.26 -4.57 105.19 102.86 1n8r n GLY 183 Ca -0.06 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1n8r n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n8r s THR 184 N 1.92 -0.00 -0.15 2.61 2.01 -1.26 -4.82 115.64 115.96 1n8r s THR 184 Ca 0.44 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.25 1n8r s THR 184 Cb 0.09 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1n8r s THR 184 CO -0.02 0.00 0.57 -0.75 -0.69 0.00 0.00 174.62 173.73 1n8r s LYS 185 N 0.25 4.29 -0.06 4.92 2.47 -1.26 -4.89 119.74 125.47 1n8r s LYS 185 Ca -0.00 0.56 -0.13 0.00 -1.56 0.00 0.00 55.97 54.84 1n8r s LYS 185 Cb -0.03 -3.51 0.03 0.00 -1.46 0.00 0.00 37.83 32.86 1n8r s LYS 185 CO 0.00 -0.04 0.31 -0.46 0.16 0.00 0.00 175.35 175.32 1n8r s TRP 186 N 1.24 -0.24 0.00 4.03 -0.00 -1.26 -4.77 118.94 117.95 1n8r s TRP 186 Ca 0.28 0.48 0.00 0.00 -0.00 0.00 0.00 56.10 56.86 1n8r s TRP 186 Cb -0.16 0.10 0.00 0.00 -0.00 0.00 0.00 33.47 33.41 1n8r s TRP 186 CO 0.11 -0.30 0.00 -0.35 -0.00 0.00 0.00 176.95 176.42 1n8r n PRO 187 N 1.93 -0.19 -4.31 5.86 -0.04 -1.26 -5.09 135.00 131.91 1n8r n PRO 187 Ca -0.18 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 1n8r n PRO 187 Cb 0.57 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.86 1n8r n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1n8r s ASN 188 N -1.32 2.38 -0.20 3.54 0.01 -1.26 -5.11 114.94 112.98 1n8r s ASN 188 Ca 0.00 -0.41 -0.14 0.00 -0.71 0.00 0.00 52.86 51.60 1n8r s ASN 188 Cb 0.00 -1.05 -0.04 0.00 0.41 0.00 0.00 41.25 40.57 1n8r s ASN 188 CO 0.00 -0.02 0.34 -0.69 -1.51 0.00 0.00 177.10 175.22 1n8r s VAL 189 N 1.16 5.25 0.23 1.60 1.01 -1.26 -5.04 120.40 123.34 1n8r s VAL 189 Ca -0.03 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1n8r s VAL 189 Cb -0.14 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1n8r s VAL 189 CO -0.04 0.29 1.50 -0.13 0.00 0.00 0.00 175.10 176.72 1n8r s ARG 190 N 1.14 4.23 0.22 2.72 0.52 -1.26 -4.91 118.95 121.61 1n8r s ARG 190 Ca 0.16 2.36 -0.11 0.00 -0.52 0.00 0.00 55.73 57.63 1n8r s ARG 190 Cb -0.14 -3.11 0.32 0.00 0.52 0.00 0.00 34.95 32.54 1n8r s ARG 190 CO 0.07 -0.50 1.64 0.78 0.02 0.00 0.00 175.30 177.30 1n8r h GLY 191 N 5.46 0.64 1.17 -3.53 0.00 -1.96 0.56 103.07 105.40 1n8r h GLY 191 Ca -0.45 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1n8r h GLY 191 CO 0.81 -0.25 0.00 -0.62 0.00 0.00 0.00 176.54 176.49 1n8r n VAL 192 N -5.36 0.28 1.00 4.60 0.31 -1.26 -0.87 118.33 117.04 1n8r n VAL 192 Ca 0.10 0.07 0.10 0.00 -0.01 0.00 0.00 64.34 64.60 1n8r n VAL 192 Cb 0.38 -1.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.24 1n8r n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n8r n ALA 193 N -1.08 4.38 -2.50 3.52 0.00 0.19 -4.60 120.51 120.42 1n8r n ALA 193 Ca 0.03 -0.61 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 1n8r n ALA 193 Cb 0.02 -0.79 0.05 0.00 0.00 0.00 0.00 19.45 18.73 1n8r n ALA 193 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1n8r n MET 194 N -1.06 0.41 -3.68 0.00 2.81 -0.05 -4.96 117.12 110.60 1n8r n MET 194 Ca 0.06 -1.14 -0.34 0.00 -1.81 0.00 0.00 57.70 54.47 1n8r n MET 194 Cb 0.37 -0.24 -0.05 0.00 -0.71 0.00 0.00 33.22 32.59 1n8r n MET 194 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1n8r s ASN 195 N -2.63 6.54 0.23 7.83 0.01 -1.26 -1.51 114.94 124.14 1n8r s ASN 195 Ca 0.27 0.64 -0.05 0.00 -0.71 0.00 0.00 52.86 53.01 1n8r s ASN 195 Cb -0.02 -2.12 0.42 0.00 0.41 0.00 0.00 41.25 39.95 1n8r s ASN 195 CO 0.18 0.17 1.25 0.00 -1.51 0.00 0.00 177.10 177.19 1n8r n ALA 196 N 0.76 0.24 0.18 0.60 0.00 -1.26 0.13 120.51 121.16 1n8r n ALA 196 Ca -0.08 0.87 0.18 0.00 0.00 0.00 0.00 53.44 54.42 1n8r n ALA 196 Cb 0.52 -0.55 0.81 0.00 0.00 0.00 0.00 19.45 20.23 1n8r n ALA 196 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1n8r h VAL 197 N 0.00 0.41 0.00 0.00 3.04 -1.93 -2.90 116.25 114.88 1n8r h VAL 197 Ca 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 1n8r h VAL 197 Cb 0.67 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1n8r h VAL 197 CO -0.81 0.00 -1.52 0.47 -1.01 0.00 0.00 177.57 174.70 1n8r n ASP 198 N -3.73 0.39 -3.64 3.17 8.00 0.34 -1.18 116.55 119.90 1n8r n ASP 198 Ca 0.03 -0.12 -0.07 0.00 0.71 0.00 0.00 54.79 55.34 1n8r n ASP 198 Cb 0.41 1.38 -0.07 0.00 -0.02 0.00 0.00 41.12 42.83 1n8r n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1n8r s HIS 199 N -3.36 -0.65 0.63 1.24 2.46 -1.09 -4.45 115.29 110.06 1n8r s HIS 199 Ca -0.02 1.42 0.20 0.00 0.47 0.00 0.00 55.06 57.13 1n8r s HIS 199 Cb 0.14 0.39 1.10 0.00 -0.13 0.00 0.00 32.58 34.08 1n8r s HIS 199 CO 0.86 -0.32 1.61 -1.00 -2.47 0.00 0.00 174.74 173.43 1n8r h PRO 200 N 5.39 0.00 0.00 2.88 0.13 -1.84 0.85 132.00 139.41 1n8r h PRO 200 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1n8r h PRO 200 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1n8r h PRO 200 CO 0.14 0.00 -0.77 1.19 -0.23 0.00 0.00 178.00 178.33 1n8r n PHE 201 N -2.72 0.09 -0.66 1.56 0.99 -1.26 -4.44 117.46 111.03 1n8r n PHE 201 Ca -0.01 0.03 -0.29 0.00 -0.00 0.00 0.00 57.45 57.18 1n8r n PHE 201 Cb 0.56 -0.26 0.23 0.00 -1.00 0.00 0.00 39.48 39.01 1n8r n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1n8r s GLY 202 N -3.20 1.56 0.00 1.37 0.00 0.30 -4.36 107.32 102.98 1n8r s GLY 202 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1n8r s GLY 202 CO 0.77 0.59 0.00 0.61 0.00 0.00 0.00 173.10 175.07 1n8r n GLY 203 N 0.45 -2.32 0.00 0.20 0.00 -0.57 -4.01 105.19 98.94 1n8r n GLY 203 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1n8r n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 204 N -0.31 0.92 0.01 -0.02 0.00 -1.26 -4.74 105.19 99.80 1n8r n GLY 204 Ca 0.00 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.35 1n8r n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 205 N 0.95 -1.31 3.24 -0.02 0.00 -1.26 -4.85 105.19 101.95 1n8r n GLY 205 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1n8r n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n8r s ARG 206 N -2.96 0.97 -0.54 1.61 1.70 -1.26 -5.13 118.95 113.35 1n8r s ARG 206 Ca 0.13 -1.15 -0.24 0.00 -0.47 0.00 0.00 55.73 54.01 1n8r s ARG 206 Cb 0.18 0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.93 1n8r s ARG 206 CO 0.62 -0.32 0.90 -0.65 -1.08 0.00 0.00 175.30 174.77 1n8r s GLN 207 N -3.94 3.32 0.01 3.89 -0.21 -1.26 -4.99 119.66 116.48 1n8r s GLN 207 Ca 0.13 -0.30 -0.28 0.00 0.02 0.00 0.00 55.36 54.93 1n8r s GLN 207 Cb 0.05 -4.05 0.08 0.00 1.00 0.00 0.00 33.01 30.09 1n8r s GLN 207 CO -0.04 -1.43 0.70 -3.38 -2.12 0.00 0.00 175.29 169.02 1n8r s HIS 208 N 3.77 -0.58 0.51 0.91 -3.43 -1.26 -5.09 115.29 110.12 1n8r s HIS 208 Ca 0.29 0.79 -0.20 0.00 -0.80 0.00 0.00 55.06 55.13 1n8r s HIS 208 Cb -0.13 0.47 -0.07 0.00 -1.43 0.00 0.00 32.58 31.42 1n8r s HIS 208 CO 0.19 -0.65 1.11 -1.25 -2.00 0.00 0.00 174.74 172.14 1n8r s PRO 209 N -2.07 3.56 0.02 -0.38 0.04 -1.26 -4.88 135.00 130.03 1n8r s PRO 209 Ca -0.06 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 1n8r s PRO 209 Cb -0.00 -2.12 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 1n8r s PRO 209 CO 0.01 -0.67 1.10 0.78 0.04 0.00 0.00 177.00 178.26 1n8r h GLY 210 N 1.49 -0.87 0.00 0.56 0.00 -1.78 -3.46 103.07 99.01 1n8r h GLY 210 Ca -0.50 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1n8r h GLY 210 CO 0.58 -0.32 0.00 0.28 0.00 0.00 0.00 176.54 177.09 1n8r n LYS 211 N -4.79 1.31 -2.45 4.80 5.02 -1.26 -5.08 118.16 115.71 1n8r n LYS 211 Ca -0.10 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.82 1n8r n LYS 211 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.31 1n8r n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1n8r s PRO 212 N -1.71 3.97 0.46 1.97 0.04 -1.26 -4.96 135.00 133.51 1n8r s PRO 212 Ca 0.00 1.57 0.26 0.00 0.04 0.00 0.00 61.00 62.87 1n8r s PRO 212 Cb 0.00 -2.43 0.99 0.00 0.04 0.00 0.00 34.50 33.10 1n8r s PRO 212 CO 0.00 -0.32 1.85 0.87 0.04 0.00 0.00 177.00 179.44 1n8r h LYS 213 N 2.20 0.00 -6.29 4.56 1.57 -1.95 -3.43 116.57 113.23 1n8r h LYS 213 Ca -0.49 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.73 1n8r h LYS 213 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1n8r h LYS 213 CO 0.61 0.17 1.06 -1.12 -0.57 0.00 0.00 179.45 179.60 1n8r s SER 214 N -6.08 6.52 -0.01 0.86 0.01 -1.26 -1.36 113.70 112.38 1n8r s SER 214 Ca 0.01 1.54 -0.01 0.00 1.31 0.00 0.00 55.95 58.81 1n8r s SER 214 Cb 0.10 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1n8r s SER 214 CO 0.62 -1.15 0.10 -0.51 0.41 0.00 0.00 173.24 172.71 1n8r s ILE 215 N 4.76 4.85 0.54 1.44 1.10 0.28 -4.95 121.20 129.22 1n8r s ILE 215 Ca 0.66 -0.36 -0.20 0.00 -0.51 0.00 0.00 60.65 60.23 1n8r s ILE 215 Cb -0.23 -3.22 -0.05 0.00 0.15 0.00 0.00 42.46 39.10 1n8r s ILE 215 CO 0.26 0.35 1.19 -0.55 -2.11 0.00 0.00 174.94 174.09 1n8r s SER 216 N -1.76 5.61 0.54 4.50 0.15 -1.26 -0.76 113.70 120.73 1n8r s SER 216 Ca 0.23 2.35 0.22 0.00 0.70 0.00 0.00 55.95 59.46 1n8r s SER 216 Cb -0.12 -2.60 1.42 0.00 -1.71 0.00 0.00 66.02 63.01 1n8r s SER 216 CO 0.14 -1.31 2.10 0.03 1.20 0.00 0.00 173.24 175.41 1n8r h ARG 217 N 1.35 0.00 -0.00 5.44 2.47 -1.95 -1.25 114.38 120.44 1n8r h ARG 217 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1n8r h ARG 217 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1n8r h ARG 217 CO 0.57 0.00 -0.01 0.09 0.56 0.00 0.00 179.97 181.18 1n8r n ASN 218 N -4.30 0.02 -4.76 7.04 3.02 -1.26 -4.89 115.26 110.13 1n8r n ASN 218 Ca 0.02 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 1n8r n ASN 218 Cb 0.31 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1n8r n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n8r n ALA 219 N -1.35 2.45 -1.74 5.41 0.00 -0.47 -4.97 120.51 119.84 1n8r n ALA 219 Ca 0.12 0.35 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 1n8r n ALA 219 Cb 0.27 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.28 1n8r n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n8r s PRO 220 N -1.41 3.60 0.40 0.00 0.04 -1.26 -4.62 135.00 131.75 1n8r s PRO 220 Ca 0.58 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 62.48 1n8r s PRO 220 Cb -0.48 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 1n8r s PRO 220 CO 0.57 -0.57 1.48 -1.25 0.04 0.00 0.00 177.00 177.26 1n8r s PRO 221 N -3.97 3.97 0.00 0.56 0.04 -1.26 -1.05 135.00 133.29 1n8r s PRO 221 Ca 0.62 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.20 1n8r s PRO 221 Cb -0.14 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1n8r s PRO 221 CO 0.33 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1n8r n GLY 222 N 0.48 2.09 0.04 0.56 0.00 -1.26 -4.79 105.19 102.32 1n8r n GLY 222 Ca 0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 1n8r n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1n8r n ARG 223 N 0.00 1.35 -2.31 1.61 0.63 -0.22 -4.72 116.66 113.00 1n8r n ARG 223 Ca 0.00 -0.05 -0.37 0.00 -0.92 0.00 0.00 57.85 56.51 1n8r n ARG 223 Cb 0.00 -1.31 -0.03 0.00 0.45 0.00 0.00 32.46 31.56 1n8r n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1n8r s LYS 224 N -2.55 3.01 0.27 -0.14 2.20 -1.01 -4.89 119.74 116.63 1n8r s LYS 224 Ca -0.06 -0.27 -0.04 0.00 -0.36 0.00 0.00 55.97 55.25 1n8r s LYS 224 Cb 0.06 -4.73 -0.02 0.00 -1.51 0.00 0.00 37.83 31.63 1n8r s LYS 224 CO 0.52 -2.59 0.35 0.14 -0.36 0.00 0.00 175.35 173.41 1n8r s VAL 225 N 7.35 0.00 0.00 4.02 -7.23 -1.26 -5.00 120.40 118.28 1n8r s VAL 225 Ca 0.54 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1n8r s VAL 225 Cb -0.07 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1n8r s VAL 225 CO 0.06 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 1n8r n GLY 226 N -0.43 0.55 3.51 2.32 0.00 -1.26 -4.49 105.19 105.40 1n8r n GLY 226 Ca 0.01 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1n8r n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n8r s ASP 227 N -4.00 6.33 -0.13 1.61 1.01 -0.47 -4.95 116.67 116.07 1n8r s ASP 227 Ca 0.00 -0.41 -0.29 0.00 0.71 0.00 0.00 52.55 52.56 1n8r s ASP 227 Cb 0.00 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1n8r s ASP 227 CO 0.00 -1.17 1.36 -0.63 0.21 0.00 0.00 175.17 174.95 1n8r s ILE 228 N 3.75 4.09 -1.72 0.77 1.01 -1.26 -0.55 121.20 127.29 1n8r s ILE 228 Ca 0.28 1.32 -0.21 0.00 0.00 0.00 0.00 60.65 62.05 1n8r s ILE 228 Cb -0.13 -3.85 0.21 0.00 0.01 0.00 0.00 42.46 38.69 1n8r s ILE 228 CO 0.18 -0.11 0.52 0.00 0.00 0.00 0.00 174.94 175.53 1n8r n ALA 229 N 6.69 -1.16 -1.73 9.38 0.00 0.06 -4.80 120.51 128.96 1n8r n ALA 229 Ca 0.15 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1n8r n ALA 229 Cb 0.44 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1n8r n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n8r n SER 230 N -2.22 3.72 -0.06 0.00 3.41 -1.25 -4.86 113.62 112.35 1n8r n SER 230 Ca 0.08 1.12 0.14 0.00 -0.26 0.00 0.00 58.87 59.95 1n8r n SER 230 Cb 0.43 -1.56 0.57 0.00 -0.26 0.00 0.00 64.21 63.39 1n8r n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n8r n LYS 231 N 2.66 0.41 0.00 4.33 5.02 -1.26 -4.92 118.16 124.39 1n8r n LYS 231 Ca 0.11 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1n8r n LYS 231 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1n8r n LYS 231 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1n8r n ARG 232 N -1.19 0.00 -4.09 1.97 1.85 -1.26 -5.19 116.66 108.75 1n8r n ARG 232 Ca 0.11 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.84 1n8r n ARG 232 Cb 0.30 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.65 1n8r n ARG 232 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1n8r s THR 233 N -2.00 0.00 0.00 8.89 -4.23 -1.26 -5.12 115.64 111.92 1n8r s THR 233 Ca 0.00 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1n8r s THR 233 Cb 0.00 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1n8r s THR 233 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1n8r n GLY 234 N -0.44 -1.60 0.00 3.99 0.00 -1.26 -4.74 105.19 101.13 1n8r n GLY 234 Ca 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1n8r n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8r n ARG 235 N -0.05 3.37 -1.61 1.61 1.74 -1.26 -5.08 116.66 115.38 1n8r n ARG 235 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1n8r n ARG 235 Cb 0.00 -0.97 0.04 0.00 -1.02 0.00 0.00 32.46 30.50 1n8r n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 236 N 2.93 -0.34 3.26 -0.13 0.00 -1.26 -5.29 105.19 104.36 1n8r n GLY 236 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1n8r n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93