#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5r s ASP 5 N 0.00 6.11 0.61 4.31 3.68 -1.26 -4.97 116.67 125.15 1n5r s ASP 5 Ca 0.00 -0.43 0.28 0.00 2.13 0.00 0.00 52.55 54.54 1n5r s ASP 5 Cb 0.00 -2.16 1.54 0.00 -1.45 0.00 0.00 42.92 40.85 1n5r s ASP 5 CO 0.00 -0.31 1.85 1.55 0.13 0.00 0.00 175.17 178.40 1n5r h PRO 6 N 8.51 0.00 0.00 4.34 0.13 -2.04 0.94 132.00 143.88 1n5r h PRO 6 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.75 1n5r h PRO 6 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1n5r h PRO 6 CO 0.67 0.00 -0.36 1.96 -0.23 0.00 0.00 178.00 180.04 1n5r h GLN 7 N 0.00 0.00 -0.44 0.86 1.08 -2.02 -3.17 115.11 111.42 1n5r h GLN 7 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1n5r h GLN 7 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1n5r h GLN 7 CO 0.00 0.36 0.00 1.28 -0.95 0.00 0.00 178.83 179.52 1n5r n LEU 8 N -3.23 3.26 -4.31 1.46 4.77 0.32 -4.84 117.00 114.42 1n5r n LEU 8 Ca 0.02 -1.47 -0.35 0.00 -0.03 0.00 0.00 56.01 54.18 1n5r n LEU 8 Cb 0.65 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1n5r n LEU 8 CO 0.38 0.73 -0.38 -0.76 -1.33 0.00 0.00 177.39 176.03 1n5r s LEU 9 N -1.37 2.91 0.10 2.23 1.43 -1.19 -0.20 118.68 122.60 1n5r s LEU 9 Ca 0.39 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1n5r s LEU 9 Cb 0.22 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1n5r s LEU 9 CO 0.31 -0.02 -0.11 -0.69 0.23 0.00 0.00 176.35 176.07 1n5r s VAL 10 N 1.48 1.01 -0.18 -1.59 1.01 -0.87 -4.97 120.40 116.29 1n5r s VAL 10 Ca 0.06 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.41 1n5r s VAL 10 Cb -0.14 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.88 1n5r s VAL 10 CO -0.03 -0.52 -0.20 -0.60 0.00 0.00 0.00 175.10 173.74 1n5r s ARG 11 N -2.74 3.00 0.46 2.72 3.52 -1.26 -0.70 118.95 123.94 1n5r s ARG 11 Ca 0.06 -0.83 0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1n5r s ARG 11 Cb -0.03 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 1n5r s ARG 11 CO 0.01 -0.19 0.21 0.14 -0.81 0.00 0.00 175.30 174.66 1n5r s VAL 12 N 1.25 2.01 0.50 7.11 -7.23 0.11 -4.88 120.40 119.27 1n5r s VAL 12 Ca 0.04 -1.68 0.25 0.00 -1.81 0.00 0.00 61.98 58.77 1n5r s VAL 12 Cb -0.13 -2.70 0.41 0.00 0.56 0.00 0.00 36.38 34.52 1n5r s VAL 12 CO -0.12 0.00 1.94 0.03 -0.31 0.00 0.00 175.10 176.64 1n5r h ARG 13 N 1.26 0.12 -0.00 4.82 3.08 -1.94 -0.69 114.38 121.02 1n5r h ARG 13 Ca -0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1n5r h ARG 13 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1n5r h ARG 13 CO 0.67 0.08 -0.26 0.41 -1.07 0.00 0.00 179.97 179.80 1n5r n GLY 14 N -1.63 -1.20 0.00 0.04 0.00 -1.26 -4.92 105.19 96.22 1n5r n GLY 14 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1n5r n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5r n GLY 15 N 1.44 0.76 3.86 -0.02 0.00 -0.27 -0.55 105.19 110.42 1n5r n GLY 15 Ca 0.08 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1n5r n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n5r s GLN 16 N -2.00 3.86 0.12 1.61 -0.21 -1.25 -0.71 119.66 121.08 1n5r s GLN 16 Ca 0.00 0.32 0.06 0.00 0.02 0.00 0.00 55.36 55.76 1n5r s GLN 16 Cb 0.00 -2.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 1n5r s GLN 16 CO 0.00 0.52 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.03 1n5r s LEU 17 N -1.95 2.38 -0.14 2.90 1.43 0.12 0.09 118.68 123.51 1n5r s LEU 17 Ca 0.35 -0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1n5r s LEU 17 Cb -0.14 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.54 1n5r s LEU 17 CO 0.19 -0.12 -0.08 -0.60 0.23 0.00 0.00 176.35 175.96 1n5r s ARG 18 N -2.52 1.63 0.00 1.70 3.52 -0.58 -2.06 118.95 120.65 1n5r s ARG 18 Ca 0.08 -0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1n5r s ARG 18 Cb -0.06 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1n5r s ARG 18 CO 0.03 -0.33 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1n5r n GLY 19 N 4.88 0.82 3.03 8.12 0.00 0.73 -0.35 105.19 122.42 1n5r n GLY 19 Ca -0.13 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 1n5r n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1n5r s ILE 20 N 0.62 0.58 -0.22 -0.61 2.07 -0.08 -4.76 121.20 118.81 1n5r s ILE 20 Ca 0.00 -0.69 -0.22 0.00 -1.41 0.00 0.00 60.65 58.34 1n5r s ILE 20 Cb 0.00 -0.56 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 1n5r s ILE 20 CO 0.00 -0.09 0.68 -0.60 -1.91 0.00 0.00 174.94 173.02 1n5r s ARG 21 N -0.86 4.19 0.17 3.50 3.52 -1.26 -0.78 118.95 127.42 1n5r s ARG 21 Ca -0.03 0.69 0.07 0.00 -0.13 0.00 0.00 55.73 56.33 1n5r s ARG 21 Cb -0.06 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1n5r s ARG 21 CO 0.00 -0.35 0.02 -0.51 -0.81 0.00 0.00 175.30 173.65 1n5r s LEU 22 N 2.27 3.38 -0.27 -0.88 1.43 0.67 -4.94 118.68 120.34 1n5r s LEU 22 Ca 0.30 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1n5r s LEU 22 Cb -0.16 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1n5r s LEU 22 CO 0.09 0.09 0.43 -0.75 0.23 0.00 0.00 176.35 176.45 1n5r s LYS 23 N -2.93 4.04 0.13 1.70 2.47 -1.26 -0.84 119.74 123.05 1n5r s LYS 23 Ca 0.28 0.15 0.07 0.00 -1.56 0.00 0.00 55.97 54.91 1n5r s LYS 23 Cb -0.09 -3.65 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 1n5r s LYS 23 CO 0.19 -0.31 -0.04 0.00 0.16 0.00 0.00 175.35 175.35 1n5r s ALA 24 N 2.16 3.12 0.31 3.13 0.00 0.77 -4.97 121.76 126.28 1n5r s ALA 24 Ca 0.17 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1n5r s ALA 24 Cb -0.16 -0.99 0.81 0.00 0.00 0.00 0.00 23.12 22.79 1n5r s ALA 24 CO 0.10 0.58 1.58 -1.35 0.00 0.00 0.00 175.76 176.67 1n5r h PRO 25 N 3.18 0.03 -0.31 0.00 0.11 -1.96 0.51 132.00 133.55 1n5r h PRO 25 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n5r h PRO 25 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1n5r h PRO 25 CO 0.56 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 1n5r n GLY 26 N -1.46 1.09 0.00 -0.55 0.00 -1.26 -5.04 105.19 97.98 1n5r n GLY 26 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1n5r n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5r n GLY 27 N 1.33 -1.11 3.85 -0.02 0.00 0.17 -5.09 105.19 104.30 1n5r n GLY 27 Ca 0.18 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 1n5r n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n5r s PRO 28 N -1.68 3.90 0.04 1.61 0.04 -1.26 -0.17 135.00 137.49 1n5r s PRO 28 Ca 0.00 0.92 0.01 0.00 0.04 0.00 0.00 61.00 61.96 1n5r s PRO 28 Cb 0.00 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1n5r s PRO 28 CO 0.00 -0.30 -0.05 0.14 0.04 0.00 0.00 177.00 176.83 1n5r s VAL 29 N -2.68 0.33 -0.16 -0.36 -7.23 -0.02 -3.42 120.40 106.86 1n5r s VAL 29 Ca 0.58 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 59.40 1n5r s VAL 29 Cb -0.10 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1n5r s VAL 29 CO 0.34 -0.60 0.21 -0.44 -0.31 0.00 0.00 175.10 174.30 1n5r s SER 30 N -1.94 6.35 -0.09 4.85 0.01 0.08 -0.24 113.70 122.72 1n5r s SER 30 Ca -0.07 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.62 1n5r s SER 30 Cb -0.05 -2.13 0.01 0.00 0.21 0.00 0.00 66.02 64.06 1n5r s SER 30 CO -0.03 0.18 -0.15 0.00 0.41 0.00 0.00 173.24 173.66 1n5r s ALA 31 N 0.16 1.60 -0.40 1.44 0.00 0.04 -0.77 121.76 123.83 1n5r s ALA 31 Ca 0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1n5r s ALA 31 Cb -0.12 -0.74 0.11 0.00 0.00 0.00 0.00 23.12 22.37 1n5r s ALA 31 CO 0.02 0.03 0.16 -0.06 0.00 0.00 0.00 175.76 175.92 1n5r s PHE 32 N 0.80 3.63 -0.02 0.00 0.40 0.99 -0.90 117.98 122.89 1n5r s PHE 32 Ca -0.11 -2.63 -0.00 0.00 -0.60 0.00 0.00 56.93 53.59 1n5r s PHE 32 Cb -0.16 -3.12 -0.04 0.00 0.51 0.00 0.00 43.02 40.21 1n5r s PHE 32 CO 0.02 -0.96 0.04 -0.51 0.70 0.00 0.00 175.22 174.51 1n5r s LEU 33 N 0.99 3.71 -0.52 -0.37 1.43 0.07 -0.69 118.68 123.30 1n5r s LEU 33 Ca 0.10 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 1n5r s LEU 33 Cb -0.22 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1n5r s LEU 33 CO -0.05 0.30 0.23 0.61 0.23 0.00 0.00 176.35 177.66 1n5r n GLY 34 N 1.44 0.29 3.70 -3.19 0.00 -1.13 -3.80 105.19 102.50 1n5r n GLY 34 Ca -0.15 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1n5r n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n5r s ILE 35 N -2.79 4.86 0.12 -0.61 1.01 -0.27 -4.80 121.20 118.72 1n5r s ILE 35 Ca 0.11 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.41 1n5r s ILE 35 Cb -0.05 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.09 1n5r s ILE 35 CO 0.14 0.11 1.06 -2.16 0.00 0.00 0.00 174.94 174.09 1n5r s PRO 36 N 1.42 4.59 0.00 2.79 0.04 -1.26 -0.22 135.00 142.36 1n5r s PRO 36 Ca 0.48 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1n5r s PRO 36 Cb -0.19 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1n5r s PRO 36 CO 0.22 0.05 0.52 1.97 0.04 0.00 0.00 177.00 179.79 1n5r n PHE 37 N 2.91 0.00 -3.71 0.56 1.16 -0.93 -4.85 117.46 112.61 1n5r n PHE 37 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.52 1n5r n PHE 37 Cb 0.48 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.29 1n5r n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1n5r s ALA 38 N -0.59 -0.70 0.26 1.98 0.00 -1.25 -2.96 121.76 118.50 1n5r s ALA 38 Ca 0.04 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.48 1n5r s ALA 38 Cb 0.03 0.61 -0.10 0.00 0.00 0.00 0.00 23.12 23.67 1n5r s ALA 38 CO 0.08 -0.59 1.45 -1.21 0.00 0.00 0.00 175.76 175.49 1n5r s GLU 39 N -3.78 4.25 -0.09 0.00 0.41 -0.09 -4.48 118.70 114.92 1n5r s GLU 39 Ca 0.03 2.34 -0.39 0.00 -0.41 0.00 0.00 54.97 56.54 1n5r s GLU 39 Cb 0.03 -3.09 -0.16 0.00 -1.78 0.00 0.00 34.13 29.12 1n5r s GLU 39 CO -0.11 -0.44 1.51 -2.30 -0.49 0.00 0.00 175.26 173.43 1n5r n PRO 40 N 2.16 1.07 -1.72 0.39 -0.02 -1.26 -4.66 135.00 130.96 1n5r n PRO 40 Ca 0.06 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 1n5r n PRO 40 Cb 0.40 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1n5r n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1n5r n PRO 41 N 3.72 3.60 -4.12 0.52 -0.04 -1.26 -4.91 135.00 132.51 1n5r n PRO 41 Ca 0.22 -2.75 -0.25 0.00 -0.04 0.00 0.00 63.50 60.68 1n5r n PRO 41 Cb 0.15 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 30.61 1n5r n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1n5r s VAL 42 N 1.60 2.31 0.00 0.52 -7.23 -1.26 -3.74 120.40 112.59 1n5r s VAL 42 Ca 0.56 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1n5r s VAL 42 Cb 0.16 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1n5r s VAL 42 CO -0.06 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 1n5r n GLY 43 N -1.24 3.40 0.00 2.32 0.00 -1.26 -0.52 105.19 107.88 1n5r n GLY 43 Ca -0.01 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.32 1n5r n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n5r n SER 44 N 7.41 0.01 -0.68 1.61 3.41 -1.26 -2.32 113.62 121.80 1n5r n SER 44 Ca 0.00 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1n5r n SER 44 Cb 0.00 -0.50 0.35 0.00 -0.26 0.00 0.00 64.21 63.80 1n5r n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n5r n ARG 45 N -1.51 1.91 -2.05 4.33 1.74 0.32 -4.83 116.66 116.57 1n5r n ARG 45 Ca 0.03 -1.35 -0.41 0.00 -0.77 0.00 0.00 57.85 55.35 1n5r n ARG 45 Cb 0.16 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1n5r n ARG 45 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1n5r s ARG 46 N -1.80 4.30 0.00 5.56 3.52 -0.98 -2.04 118.95 127.50 1n5r s ARG 46 Ca 0.34 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 58.22 1n5r s ARG 46 Cb 0.19 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 1n5r s ARG 46 CO 0.29 -0.29 0.00 1.19 -0.81 0.00 0.00 175.30 175.68 1n5r n PHE 47 N 1.17 0.00 -3.64 5.12 3.72 -1.26 -4.95 117.46 117.61 1n5r n PHE 47 Ca 0.02 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.17 1n5r n PHE 47 Cb 0.41 -0.48 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 1n5r n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1n5r s MET 48 N -0.24 3.49 0.68 -1.08 -1.94 -0.87 -4.36 119.30 114.98 1n5r s MET 48 Ca 0.00 -0.43 -0.17 0.00 -1.71 0.00 0.00 55.69 53.38 1n5r s MET 48 Cb 0.00 -2.79 -0.01 0.00 2.01 0.00 0.00 34.83 34.05 1n5r s MET 48 CO 0.00 0.32 1.09 -2.30 -0.01 0.00 0.00 175.02 174.12 1n5r n PRO 49 N -1.23 0.78 -2.63 2.03 -0.02 -1.26 -4.93 135.00 127.74 1n5r n PRO 49 Ca -0.06 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.40 1n5r n PRO 49 Cb 0.55 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1n5r n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1n5r s PRO 50 N -3.27 4.04 0.05 0.52 0.04 -1.26 -5.06 135.00 130.06 1n5r s PRO 50 Ca 0.77 1.34 0.05 0.00 0.04 0.00 0.00 61.00 63.20 1n5r s PRO 50 Cb -0.37 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1n5r s PRO 50 CO 0.46 -0.22 -0.06 -1.21 0.04 0.00 0.00 177.00 176.00 1n5r s GLU 51 N -2.98 2.43 0.40 4.56 2.02 -1.26 -5.02 118.70 118.85 1n5r s GLU 51 Ca 0.63 -0.84 -0.27 0.00 0.02 0.00 0.00 54.97 54.51 1n5r s GLU 51 Cb -0.16 -2.45 -0.10 0.00 0.10 0.00 0.00 34.13 31.52 1n5r s GLU 51 CO 0.20 0.56 1.43 -1.25 0.02 0.00 0.00 175.26 176.22 1n5r s PRO 52 N -1.87 3.97 0.20 0.39 0.04 -1.26 -0.91 135.00 135.56 1n5r s PRO 52 Ca 0.20 2.44 -0.32 0.00 0.04 0.00 0.00 61.00 63.37 1n5r s PRO 52 Cb -0.11 -2.85 -0.12 0.00 0.04 0.00 0.00 34.50 31.47 1n5r s PRO 52 CO 0.12 -0.60 1.69 0.21 0.04 0.00 0.00 177.00 178.47 1n5r s LYS 53 N -2.21 4.14 0.48 4.56 2.47 -1.16 -4.17 119.74 123.86 1n5r s LYS 53 Ca 0.56 2.57 -0.22 0.00 -1.56 0.00 0.00 55.97 57.31 1n5r s LYS 53 Cb -0.44 -3.09 -0.07 0.00 -1.46 0.00 0.00 37.83 32.78 1n5r s LYS 53 CO 0.58 -0.73 1.17 1.03 0.16 0.00 0.00 175.35 177.57 1n5r s ARG 54 N 1.13 3.62 0.57 4.03 0.52 -1.26 -4.93 118.95 122.63 1n5r s ARG 54 Ca 0.74 1.77 -0.20 0.00 -0.52 0.00 0.00 55.73 57.52 1n5r s ARG 54 Cb -0.49 -2.31 -0.06 0.00 0.52 0.00 0.00 34.95 32.62 1n5r s ARG 54 CO 0.32 -0.66 1.06 -2.30 0.02 0.00 0.00 175.30 173.74 1n5r n PRO 55 N -0.70 1.13 -4.47 3.54 -0.02 -1.26 -4.99 135.00 128.22 1n5r n PRO 55 Ca 0.08 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 1n5r n PRO 55 Cb 0.48 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 1n5r n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1n5r s TRP 56 N -1.43 2.19 0.21 6.00 -2.14 0.29 -5.04 118.94 119.02 1n5r s TRP 56 Ca 0.73 -0.46 0.01 0.00 2.66 0.00 0.00 56.10 59.04 1n5r s TRP 56 Cb -0.44 -1.09 -0.04 0.00 -3.10 0.00 0.00 33.47 28.81 1n5r s TRP 56 CO 0.49 0.57 0.38 -1.54 -2.66 0.00 0.00 176.95 174.18 1n5r s SER 57 N -3.50 6.35 0.51 -2.66 1.04 -1.26 -4.59 113.70 109.60 1n5r s SER 57 Ca 0.29 0.30 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1n5r s SER 57 Cb -0.01 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1n5r s SER 57 CO 0.14 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1n5r n GLY 58 N -0.90 0.17 3.31 7.32 0.00 -1.26 -4.65 105.19 109.18 1n5r n GLY 58 Ca -0.06 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1n5r n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n5r s VAL 59 N 0.00 3.66 0.06 1.61 1.01 -1.26 -3.74 120.40 121.74 1n5r s VAL 59 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 1n5r s VAL 59 Cb 0.00 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1n5r s VAL 59 CO 0.00 0.16 1.12 -0.22 0.00 0.00 0.00 175.10 176.16 1n5r s LEU 60 N 1.46 4.39 -0.39 3.92 2.96 0.11 -4.88 118.68 126.25 1n5r s LEU 60 Ca 0.02 1.93 -0.29 0.00 -0.22 0.00 0.00 54.13 55.57 1n5r s LEU 60 Cb -0.17 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.96 1n5r s LEU 60 CO 0.00 -0.37 1.23 -0.62 -1.32 0.00 0.00 176.35 175.27 1n5r s ASP 61 N 0.86 6.63 -0.49 3.68 3.68 -1.26 -1.52 116.67 128.24 1n5r s ASP 61 Ca 0.55 0.82 0.04 0.00 2.13 0.00 0.00 52.55 56.10 1n5r s ASP 61 Cb -0.27 -2.54 0.41 0.00 -1.45 0.00 0.00 42.92 39.07 1n5r s ASP 61 CO 0.30 -1.19 1.25 0.00 0.13 0.00 0.00 175.17 175.66 1n5r n ALA 62 N 7.84 5.28 0.48 3.66 0.00 0.53 -4.71 120.51 133.59 1n5r n ALA 62 Ca 0.14 -4.28 0.06 0.00 0.00 0.00 0.00 53.44 49.36 1n5r n ALA 62 Cb 0.48 -0.75 0.06 0.00 0.00 0.00 0.00 19.45 19.24 1n5r n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n5r n THR 63 N -0.50 0.04 -3.99 0.00 -2.24 -1.24 -0.75 114.28 105.60 1n5r n THR 63 Ca 0.41 -0.52 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1n5r n THR 63 Cb 0.61 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.95 1n5r n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1n5r s THR 64 N -1.01 0.20 0.39 4.28 -1.32 -1.25 -4.86 115.64 112.07 1n5r s THR 64 Ca 0.15 -0.87 -0.26 0.00 -1.21 0.00 0.00 61.69 59.49 1n5r s THR 64 Cb 0.10 -0.32 -0.09 0.00 -1.51 0.00 0.00 72.50 70.68 1n5r s THR 64 CO 0.15 -0.43 1.29 -0.36 -2.21 0.00 0.00 174.62 173.06 1n5r s PHE 65 N -1.32 2.89 0.50 9.09 0.08 -1.26 -3.34 117.98 124.62 1n5r s PHE 65 Ca -0.13 1.43 -0.06 0.00 0.12 0.00 0.00 56.93 58.28 1n5r s PHE 65 Cb -0.09 -3.64 0.11 0.00 -0.57 0.00 0.00 43.02 38.83 1n5r s PHE 65 CO -0.01 -1.96 0.69 1.04 -0.10 0.00 0.00 175.22 174.88 1n5r n GLN 66 N 0.24 -0.40 -1.78 0.44 1.13 -1.26 -4.89 117.38 110.85 1n5r n GLN 66 Ca 0.03 -1.30 -0.34 0.00 -1.94 0.00 0.00 57.00 53.45 1n5r n GLN 66 Cb 0.44 -0.63 0.05 0.00 0.11 0.00 0.00 30.24 30.20 1n5r n GLN 66 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1n5r s ASN 67 N -3.60 4.93 0.11 1.08 0.01 -1.26 -4.83 114.94 111.38 1n5r s ASN 67 Ca 0.41 2.22 -0.25 0.00 -0.71 0.00 0.00 52.86 54.53 1n5r s ASN 67 Cb -0.01 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.00 1n5r s ASN 67 CO 0.28 -1.76 0.75 -0.69 -1.51 0.00 0.00 177.10 174.18 1n5r s VAL 68 N -1.99 4.55 0.36 1.60 1.01 -0.05 -4.67 120.40 121.21 1n5r s VAL 68 Ca 0.72 1.63 -0.28 0.00 0.00 0.00 0.00 61.98 64.05 1n5r s VAL 68 Cb -0.26 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 31.90 1n5r s VAL 68 CO 0.39 0.46 1.41 0.00 0.00 0.00 0.00 175.10 177.35 1n5r n TYR 70 N 0.49 2.03 -3.61 0.00 9.36 -1.02 -4.68 117.16 119.74 1n5r n TYR 70 Ca 0.03 0.36 -0.09 0.00 3.32 0.00 0.00 57.90 61.53 1n5r n TYR 70 Cb 0.37 -2.49 -0.02 0.00 -0.63 0.00 0.00 39.34 36.58 1n5r n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1n5r s GLN 71 N 1.45 1.36 0.43 2.98 -2.07 -1.26 -4.67 119.66 117.88 1n5r s GLN 71 Ca 0.84 -0.63 -0.25 0.00 -1.82 0.00 0.00 55.36 53.50 1n5r s GLN 71 Cb -0.80 0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 31.58 1n5r s GLN 71 CO 0.45 -0.61 1.32 -0.47 -1.32 0.00 0.00 175.29 174.66 1n5r s TYR 72 N -3.66 2.70 -0.15 9.60 6.14 -1.26 -5.01 117.35 125.72 1n5r s TYR 72 Ca 0.06 1.39 -0.00 0.00 0.64 0.00 0.00 57.07 59.15 1n5r s TYR 72 Cb -0.03 -3.71 -0.01 0.00 0.42 0.00 0.00 41.96 38.64 1n5r s TYR 72 CO -0.05 -2.29 -0.14 0.08 0.64 0.00 0.00 175.55 173.79 1n5r s VAL 73 N -1.27 2.83 0.16 3.14 1.01 -1.26 -4.90 120.40 120.11 1n5r s VAL 73 Ca 0.59 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 1n5r s VAL 73 Cb -0.39 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 1n5r s VAL 73 CO 0.49 0.51 1.38 -0.62 0.00 0.00 0.00 175.10 176.86 1n5r s ASP 74 N 0.67 6.82 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.23 1n5r s ASP 74 Ca -0.07 2.40 0.00 0.00 -0.52 0.00 0.00 52.55 54.36 1n5r s ASP 74 Cb -0.16 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 1n5r s ASP 74 CO 0.02 -0.63 0.48 0.35 0.52 0.00 0.00 175.17 175.92 1n5r n THR 75 N 3.37 0.20 -0.23 1.71 -2.24 -1.26 -4.84 114.28 110.99 1n5r n THR 75 Ca 0.09 -0.43 0.03 0.00 -2.27 0.00 0.00 64.05 61.48 1n5r n THR 75 Cb 0.42 1.14 0.14 0.00 -2.10 0.00 0.00 70.33 69.93 1n5r n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1n5r h LEU 76 N 0.00 -0.20 -6.30 3.22 5.85 -2.02 -3.28 115.31 112.58 1n5r h LEU 76 Ca 0.00 0.16 -0.59 0.00 0.84 0.00 0.00 57.88 58.29 1n5r h LEU 76 Cb 0.32 0.26 -0.41 0.00 0.37 0.00 0.00 40.66 41.21 1n5r h LEU 76 CO 0.00 -0.11 -0.79 -1.22 -0.34 0.00 0.00 178.44 175.98 1n5r n TYR 77 N -5.26 1.79 -1.66 1.25 4.01 -1.26 -5.11 117.16 110.93 1n5r n TYR 77 Ca 0.12 -3.90 -0.57 0.00 -0.16 0.00 0.00 57.90 53.40 1n5r n TYR 77 Cb 0.42 -0.40 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 1n5r n TYR 77 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1n5r n PRO 78 N 1.45 1.00 0.00 -0.72 -0.02 -1.24 -1.81 135.00 133.66 1n5r n PRO 78 Ca 0.26 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1n5r n PRO 78 Cb 0.45 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1n5r n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5r n GLY 79 N 3.46 2.16 3.66 -1.23 0.00 -1.26 -5.03 105.19 106.95 1n5r n GLY 79 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1n5r n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n5r s PHE 80 N -2.34 2.91 0.34 1.61 5.36 -0.75 -4.94 117.98 120.17 1n5r s PHE 80 Ca 0.00 1.06 0.05 0.00 -0.96 0.00 0.00 56.93 57.08 1n5r s PHE 80 Cb 0.00 -3.48 0.70 0.00 -0.34 0.00 0.00 43.02 39.90 1n5r s PHE 80 CO 0.00 -1.58 1.92 0.93 -1.46 0.00 0.00 175.22 175.03 1n5r h GLU 81 N 8.08 0.79 -0.84 10.12 5.08 -1.96 -0.19 114.58 135.66 1n5r h GLU 81 Ca -0.27 -0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.25 1n5r h GLU 81 Cb 1.11 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 1n5r h GLU 81 CO 0.96 0.53 0.57 0.78 -1.00 0.00 0.00 179.01 180.85 1n5r h GLY 82 N 0.82 0.58 0.00 -3.84 0.00 -1.92 -1.40 103.07 97.30 1n5r h GLY 82 Ca 0.37 -0.13 -0.34 0.00 0.00 0.00 0.00 47.33 47.23 1n5r h GLY 82 CO -0.14 0.01 -2.27 -1.30 0.00 0.00 0.00 176.54 172.83 1n5r n THR 83 N -4.44 1.28 0.26 4.70 -2.24 -0.81 -4.51 114.28 108.52 1n5r n THR 83 Ca 0.17 -0.48 0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1n5r n THR 83 Cb 0.71 -1.33 0.72 0.00 -2.10 0.00 0.00 70.33 68.33 1n5r n THR 83 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1n5r h GLU 84 N -0.07 0.00 0.00 -0.78 4.39 -0.92 -1.55 114.58 115.65 1n5r h GLU 84 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1n5r h GLU 84 Cb 1.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1n5r h GLU 84 CO -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.75 1n5r h MET 85 N 0.00 0.00 -0.00 2.33 -0.00 -1.49 -1.35 114.93 114.42 1n5r h MET 85 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1n5r h MET 85 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.64 1n5r h MET 85 CO -0.00 0.00 -0.84 0.91 -0.00 0.00 0.00 176.91 176.98 1n5r n TRP 86 N -2.88 0.00 -1.82 -0.10 7.02 -0.59 -4.78 117.44 114.30 1n5r n TRP 86 Ca -0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 1n5r n TRP 86 Cb 0.12 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.04 1n5r n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1n5r s ASN 87 N -2.81 5.65 0.35 -0.99 0.01 -0.51 -4.65 114.94 111.99 1n5r s ASN 87 Ca 0.11 1.69 -0.27 0.00 -0.71 0.00 0.00 52.86 53.67 1n5r s ASN 87 Cb 0.16 -2.51 -0.12 0.00 0.41 0.00 0.00 41.25 39.19 1n5r s ASN 87 CO 0.77 -1.26 1.24 -2.65 -1.51 0.00 0.00 177.10 173.69 1n5r n PRO 88 N -2.57 1.97 -0.13 -0.60 -0.02 -1.26 -4.90 135.00 127.49 1n5r n PRO 88 Ca 0.08 0.69 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 1n5r n PRO 88 Cb 0.53 -2.27 0.15 0.00 -0.02 0.00 0.00 33.50 31.89 1n5r n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1n5r n ASN 89 N 0.70 2.59 -4.04 2.55 6.94 -1.26 -4.99 115.26 117.75 1n5r n ASN 89 Ca 0.06 -2.93 -0.10 0.00 -0.02 0.00 0.00 54.58 51.58 1n5r n ASN 89 Cb 0.36 -0.40 -0.07 0.00 -2.36 0.00 0.00 39.78 37.32 1n5r n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1n5r s ARG 90 N -2.62 1.44 0.42 -3.83 1.81 -1.26 -5.08 118.95 109.83 1n5r s ARG 90 Ca 0.30 -1.40 -0.26 0.00 -1.72 0.00 0.00 55.73 52.65 1n5r s ARG 90 Cb 0.26 0.40 -0.10 0.00 -0.45 0.00 0.00 34.95 35.06 1n5r s ARG 90 CO 0.04 -0.56 1.44 0.39 -0.68 0.00 0.00 175.30 175.93 1n5r n GLU 91 N -0.35 2.39 -2.83 3.54 -0.58 -1.26 -4.49 120.64 117.06 1n5r n GLU 91 Ca -0.00 0.84 -0.37 0.00 -0.42 0.00 0.00 57.16 57.21 1n5r n GLU 91 Cb 0.63 -2.63 -0.06 0.00 -0.57 0.00 0.00 31.44 28.81 1n5r n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1n5r s LEU 92 N -2.35 4.40 -0.19 -4.62 1.43 -1.26 -0.87 118.68 115.22 1n5r s LEU 92 Ca 0.58 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 55.17 1n5r s LEU 92 Cb -0.46 -3.87 0.14 0.00 0.03 0.00 0.00 46.19 42.03 1n5r s LEU 92 CO 0.60 -0.01 1.07 -0.55 0.23 0.00 0.00 176.35 177.70 1n5r s SER 93 N -1.53 -0.30 0.29 2.29 0.15 -0.42 -4.89 113.70 109.29 1n5r s SER 93 Ca 0.47 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.72 1n5r s SER 93 Cb -0.20 0.26 0.85 0.00 -1.71 0.00 0.00 66.02 65.22 1n5r s SER 93 CO 0.25 -0.27 1.76 -0.33 1.20 0.00 0.00 173.24 175.84 1n5r h GLU 94 N 2.50 0.00 -5.17 5.44 5.08 -1.94 -2.71 114.58 117.78 1n5r h GLU 94 Ca -0.17 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.51 1n5r h GLU 94 Cb 1.17 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 1n5r h GLU 94 CO 0.29 0.00 1.02 0.34 -1.00 0.00 0.00 179.01 179.66 1n5r s ASP 95 N -4.83 6.67 0.00 1.42 -1.08 -1.26 -4.28 116.67 113.31 1n5r s ASP 95 Ca 0.07 -2.08 0.00 0.00 -0.52 0.00 0.00 52.55 50.02 1n5r s ASP 95 Cb 0.10 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1n5r s ASP 95 CO 0.54 -1.09 0.30 0.00 0.52 0.00 0.00 175.17 175.44 1n5r s LEU 97 N -0.01 3.77 0.08 0.00 1.43 -1.26 -4.62 118.68 118.06 1n5r s LEU 97 Ca 0.00 -2.24 0.03 0.00 -1.03 0.00 0.00 54.13 50.89 1n5r s LEU 97 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1n5r s LEU 97 CO 0.00 -1.25 -0.10 -0.31 0.23 0.00 0.00 176.35 174.92 1n5r s TYR 98 N 4.42 0.97 0.29 0.29 2.02 -1.26 -2.18 117.35 121.91 1n5r s TYR 98 Ca 0.52 -0.64 0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1n5r s TYR 98 Cb 0.03 -0.55 -0.06 0.00 -0.40 0.00 0.00 41.96 40.99 1n5r s TYR 98 CO 0.04 -0.03 -0.01 -0.48 -1.57 0.00 0.00 175.55 173.50 1n5r s LEU 99 N -2.28 2.36 0.05 -1.29 0.05 0.69 -1.35 118.68 116.92 1n5r s LEU 99 Ca 0.02 -1.26 0.06 0.00 0.05 0.00 0.00 54.13 53.01 1n5r s LEU 99 Cb -0.04 -0.50 -0.03 0.00 -2.05 0.00 0.00 46.19 43.57 1n5r s LEU 99 CO -0.00 -0.46 -0.18 0.20 -0.55 0.00 0.00 176.35 175.36 1n5r s ASN 100 N -3.44 2.12 -0.06 1.48 0.01 0.15 -1.11 114.94 114.10 1n5r s ASN 100 Ca 0.31 -0.52 0.01 0.00 -0.71 0.00 0.00 52.86 51.95 1n5r s ASN 100 Cb 0.06 -0.15 0.02 0.00 0.41 0.00 0.00 41.25 41.59 1n5r s ASN 100 CO 0.12 0.08 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.03 1n5r s VAL 101 N -0.90 0.81 -0.05 1.60 1.01 0.13 -1.34 120.40 121.66 1n5r s VAL 101 Ca 0.04 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1n5r s VAL 101 Cb -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1n5r s VAL 101 CO 0.02 0.29 -0.21 0.26 0.00 0.00 0.00 175.10 175.46 1n5r s TRP 102 N 0.90 2.52 0.11 5.22 0.51 -0.17 -0.00 118.94 128.02 1n5r s TRP 102 Ca -0.11 -0.42 -0.05 0.00 -2.12 0.00 0.00 56.10 53.39 1n5r s TRP 102 Cb -0.15 -1.59 -0.02 0.00 -0.81 0.00 0.00 33.47 30.90 1n5r s TRP 102 CO 0.01 -0.02 0.14 0.95 -0.51 0.00 0.00 176.95 177.52 1n5r s THR 103 N -0.48 0.13 0.70 2.01 -4.23 0.05 -1.45 115.64 112.37 1n5r s THR 103 Ca 0.06 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 58.89 1n5r s THR 103 Cb -0.11 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.07 1n5r s THR 103 CO 0.01 -0.59 1.12 -2.16 -0.54 0.00 0.00 174.62 172.46 1n5r s PRO 104 N -3.94 2.56 -0.21 3.99 0.04 -1.26 -0.74 135.00 135.43 1n5r s PRO 104 Ca 0.13 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.57 1n5r s PRO 104 Cb 0.06 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1n5r s PRO 104 CO -0.05 -1.44 -0.15 -0.47 0.04 0.00 0.00 177.00 174.93 1n5r s TYR 105 N -2.42 2.96 0.80 0.56 5.04 -1.22 -2.42 117.35 120.64 1n5r s TYR 105 Ca 0.67 -1.75 -0.11 0.00 -2.44 0.00 0.00 57.07 53.43 1n5r s TYR 105 Cb -0.21 -1.96 0.07 0.00 0.35 0.00 0.00 41.96 40.22 1n5r s TYR 105 CO 0.45 -0.80 1.09 -1.25 -1.34 0.00 0.00 175.55 173.71 1n5r s PRO 106 N 1.26 2.02 0.31 4.97 0.04 -1.26 -4.76 135.00 137.59 1n5r s PRO 106 Ca 0.01 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.89 1n5r s PRO 106 Cb -0.15 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1n5r s PRO 106 CO -0.09 -1.79 1.22 0.54 0.04 0.00 0.00 177.00 176.92 1n5r n ARG 107 N -3.62 1.88 -1.49 4.56 1.74 -1.01 -4.86 116.66 113.86 1n5r n ARG 107 Ca 0.09 0.66 -0.47 0.00 -0.77 0.00 0.00 57.85 57.36 1n5r n ARG 107 Cb 0.53 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 29.75 1n5r n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1n5r n PRO 108 N 0.79 0.60 0.02 5.56 -0.02 -1.26 -4.92 135.00 135.76 1n5r n PRO 108 Ca 0.07 0.21 -0.16 0.00 -2.02 0.00 0.00 63.50 61.60 1n5r n PRO 108 Cb 0.34 -1.42 -0.06 0.00 -0.02 0.00 0.00 33.50 32.34 1n5r n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n5r h ALA 109 N 1.70 0.33 -2.37 3.55 0.00 -1.92 -3.45 119.26 117.10 1n5r h ALA 109 Ca -0.35 -0.64 -0.61 0.00 0.00 0.00 0.00 54.91 53.32 1n5r h ALA 109 Cb 1.39 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 1n5r h ALA 109 CO 0.60 0.71 -0.74 -1.54 0.00 0.00 0.00 179.25 178.28 1n5r s SER 110 N -7.12 3.78 -0.22 0.00 1.04 -1.26 -5.08 113.70 104.85 1n5r s SER 110 Ca -0.09 -0.91 -0.36 0.00 0.48 0.00 0.00 55.95 55.07 1n5r s SER 110 Cb 0.09 -0.42 -0.12 0.00 0.10 0.00 0.00 66.02 65.66 1n5r s SER 110 CO 0.89 0.05 1.95 -2.65 0.98 0.00 0.00 173.24 174.46 1n5r n PRO 111 N -0.53 1.59 -3.81 4.02 -0.02 -1.26 -4.87 135.00 130.13 1n5r n PRO 111 Ca -0.07 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 1n5r n PRO 111 Cb 0.59 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 1n5r n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1n5r s THR 112 N 5.02 5.41 0.43 3.45 2.01 -0.02 -4.65 115.64 127.30 1n5r s THR 112 Ca 0.99 0.28 -0.26 0.00 0.31 0.00 0.00 61.69 63.01 1n5r s THR 112 Cb -0.82 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 1n5r s THR 112 CO 0.54 0.57 1.44 -2.16 -0.69 0.00 0.00 174.62 174.32 1n5r s PRO 113 N -1.16 3.80 -0.14 4.92 0.04 -1.26 0.12 135.00 141.31 1n5r s PRO 113 Ca 0.18 2.45 -0.06 0.00 0.04 0.00 0.00 61.00 63.61 1n5r s PRO 113 Cb -0.13 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1n5r s PRO 113 CO 0.07 -0.73 0.07 0.08 0.04 0.00 0.00 177.00 176.53 1n5r s VAL 114 N -1.18 4.90 -0.17 -0.36 1.01 0.29 -3.30 120.40 121.59 1n5r s VAL 114 Ca 0.59 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1n5r s VAL 114 Cb -0.44 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1n5r s VAL 114 CO 0.58 0.53 -0.05 -0.76 0.00 0.00 0.00 175.10 175.40 1n5r s LEU 115 N -0.28 3.06 -0.22 3.92 1.43 -0.33 -0.37 118.68 125.88 1n5r s LEU 115 Ca 0.09 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1n5r s LEU 115 Cb -0.12 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1n5r s LEU 115 CO 0.01 0.11 -0.09 -0.63 0.23 0.00 0.00 176.35 175.98 1n5r s ILE 116 N 0.68 2.75 -0.00 -0.59 1.01 0.10 -0.55 121.20 124.61 1n5r s ILE 116 Ca -0.03 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 1n5r s ILE 116 Cb -0.15 -2.32 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 1n5r s ILE 116 CO 0.02 0.33 0.52 0.86 0.00 0.00 0.00 174.94 176.68 1n5r s TRP 117 N 1.34 3.70 -0.26 3.97 -0.11 0.66 -0.89 118.94 127.36 1n5r s TRP 117 Ca 0.02 1.12 0.01 0.00 1.22 0.00 0.00 56.10 58.47 1n5r s TRP 117 Cb -0.15 -2.49 0.07 0.00 -1.50 0.00 0.00 33.47 29.40 1n5r s TRP 117 CO -0.06 0.46 -0.03 0.42 -4.62 0.00 0.00 176.95 173.12 1n5r s ILE 118 N -0.53 1.58 0.88 5.86 1.01 -0.42 -3.82 121.20 125.76 1n5r s ILE 118 Ca 0.28 -1.40 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 1n5r s ILE 118 Cb -0.18 -1.92 0.12 0.00 0.01 0.00 0.00 42.46 40.50 1n5r s ILE 118 CO 0.16 -0.22 1.10 -0.72 0.00 0.00 0.00 174.94 175.26 1n5r s TYR 119 N 1.34 2.09 0.00 3.97 -0.85 -1.26 -3.61 117.35 119.03 1n5r s TYR 119 Ca -0.02 1.54 0.00 0.00 -0.52 0.00 0.00 57.07 58.07 1n5r s TYR 119 Cb -0.19 -3.18 0.00 0.00 0.38 0.00 0.00 41.96 38.98 1n5r s TYR 119 CO -0.08 -2.44 0.00 0.41 -1.52 0.00 0.00 175.55 171.91 1n5r n GLY 120 N -0.54 2.32 0.00 5.49 0.00 -1.21 -3.12 105.19 108.14 1n5r n GLY 120 Ca 0.09 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1n5r n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5r n GLY 121 N 5.00 0.36 2.29 -0.02 0.00 -1.26 -4.20 105.19 107.37 1n5r n GLY 121 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1n5r n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n5r n GLY 122 N 0.00 1.23 3.00 -0.02 0.00 -1.26 -1.15 105.19 106.99 1n5r n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n5r n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n5r n PHE 123 N -2.35 0.00 0.02 1.61 3.72 -1.26 -4.76 117.46 114.43 1n5r n PHE 123 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1n5r n PHE 123 Cb 0.56 -1.26 0.00 0.00 -0.94 0.00 0.00 39.48 37.84 1n5r n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1n5r n TYR 124 N -2.21 0.00 -3.83 1.38 0.18 -0.39 -0.52 117.16 111.76 1n5r n TYR 124 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1n5r n TYR 124 Cb 0.23 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.21 1n5r n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1n5r s SER 125 N -0.15 0.13 0.00 9.48 1.04 -0.30 -4.06 113.70 119.85 1n5r s SER 125 Ca 0.00 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1n5r s SER 125 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1n5r s SER 125 CO 0.01 -1.68 0.00 0.61 0.98 0.00 0.00 173.24 173.16 1n5r n GLY 126 N -0.54 2.33 3.55 7.32 0.00 -1.26 -4.04 105.19 112.54 1n5r n GLY 126 Ca -0.08 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 1n5r n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5r s ALA 127 N -2.22 -1.88 -1.84 4.61 0.00 -1.26 -4.67 121.76 114.51 1n5r s ALA 127 Ca 0.00 1.45 0.31 0.00 0.00 0.00 0.00 51.96 53.72 1n5r s ALA 127 Cb 0.00 -0.40 1.75 0.00 0.00 0.00 0.00 23.12 24.46 1n5r s ALA 127 CO 0.00 -0.37 2.15 0.00 0.00 0.00 0.00 175.76 177.54 1n5r n ALA 128 N 0.66 2.63 1.12 0.00 0.00 -1.26 -3.54 120.51 120.11 1n5r n ALA 128 Ca -0.12 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.24 1n5r n ALA 128 Cb 0.58 -1.49 0.18 0.00 0.00 0.00 0.00 19.45 18.72 1n5r n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n5r n SER 129 N -1.04 2.09 -4.73 0.00 3.41 -1.26 -4.85 113.62 107.23 1n5r n SER 129 Ca 0.21 -1.56 -0.37 0.00 -0.26 0.00 0.00 58.87 56.89 1n5r n SER 129 Cb 0.16 0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.37 1n5r n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n5r s LEU 130 N -2.25 3.60 0.38 1.04 1.43 -1.23 -4.91 118.68 116.73 1n5r s LEU 130 Ca 0.26 2.61 0.07 0.00 -1.03 0.00 0.00 54.13 56.04 1n5r s LEU 130 Cb 0.19 -4.60 0.76 0.00 0.03 0.00 0.00 46.19 42.57 1n5r s LEU 130 CO 0.44 -1.95 1.95 0.44 0.23 0.00 0.00 176.35 177.46 1n5r h ASP 131 N 0.63 0.39 0.39 2.29 3.32 -1.93 -2.17 116.42 119.33 1n5r h ASP 131 Ca -0.51 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1n5r h ASP 131 Cb 1.33 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1n5r h ASP 131 CO 0.54 0.42 0.00 1.33 -1.72 0.00 0.00 179.24 179.81 1n5r n VAL 132 N -4.35 1.20 -0.70 -1.35 0.24 -1.26 -2.15 118.33 109.97 1n5r n VAL 132 Ca 0.01 0.34 0.08 0.00 -2.04 0.00 0.00 64.34 62.74 1n5r n VAL 132 Cb 0.19 -1.21 0.28 0.00 -1.47 0.00 0.00 33.84 31.63 1n5r n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1n5r n TYR 133 N -1.70 1.09 -1.70 6.34 4.01 -0.82 -4.55 117.16 119.83 1n5r n TYR 133 Ca 0.02 -0.70 -0.42 0.00 -0.16 0.00 0.00 57.90 56.63 1n5r n TYR 133 Cb 0.13 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 38.88 1n5r n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1n5r s ASP 134 N -1.33 6.31 0.00 7.72 -1.08 -0.91 -4.88 116.67 122.49 1n5r s ASP 134 Ca 0.41 2.48 0.11 0.00 -0.52 0.00 0.00 52.55 55.03 1n5r s ASP 134 Cb 0.29 -2.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.59 1n5r s ASP 134 CO 0.15 -1.20 1.28 0.61 0.52 0.00 0.00 175.17 176.54 1n5r n GLY 135 N 4.71 0.29 0.27 2.66 0.00 -1.26 -4.36 105.19 107.50 1n5r n GLY 135 Ca 0.21 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1n5r n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1n5r h ARG 136 N 1.71 0.93 0.28 1.61 0.11 -1.90 -2.27 114.38 114.85 1n5r h ARG 136 Ca 0.00 -0.30 -0.01 0.00 0.10 0.00 0.00 59.98 59.77 1n5r h ARG 136 Cb 0.39 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 1n5r h ARG 136 CO 0.00 0.95 -0.18 0.74 0.10 0.00 0.00 179.97 181.58 1n5r h PHE 137 N 0.80 -0.48 -0.90 4.08 0.04 -1.78 0.20 116.94 118.89 1n5r h PHE 137 Ca 0.15 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1n5r h PHE 137 Cb 0.54 0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.82 1n5r h PHE 137 CO 0.04 -0.29 0.58 -0.07 -0.60 0.00 0.00 178.31 177.97 1n5r h LEU 138 N -0.45 1.05 -0.16 1.54 3.38 -1.70 0.13 115.31 119.09 1n5r h LEU 138 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1n5r h LEU 138 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1n5r h LEU 138 CO 0.02 0.78 -0.00 0.00 0.09 0.00 0.00 178.44 179.32 1n5r h ALA 139 N 1.41 0.22 0.19 1.53 0.00 -1.10 -1.65 119.26 119.85 1n5r h ALA 139 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1n5r h ALA 139 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1n5r h ALA 139 CO -0.07 -0.07 -0.09 0.37 0.00 0.00 0.00 179.25 179.39 1n5r h GLN 140 N 0.03 -0.25 -0.12 0.00 -0.00 -0.35 -1.22 115.11 113.20 1n5r h GLN 140 Ca 0.05 0.02 -0.16 0.00 -0.00 0.00 0.00 58.65 58.55 1n5r h GLN 140 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.91 1n5r h GLN 140 CO 0.01 0.16 -0.62 0.28 0.00 0.00 0.00 178.83 178.66 1n5r h VAL 141 N -0.82 1.35 -0.01 2.39 2.07 -0.87 -3.31 116.25 117.05 1n5r h VAL 141 Ca -0.03 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1n5r h VAL 141 Cb 0.52 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1n5r h VAL 141 CO 0.04 0.59 -0.05 -0.62 0.02 0.00 0.00 177.57 177.55 1n5r n GLU 142 N -3.90 0.91 -1.97 1.57 -0.58 -0.64 -4.98 120.64 111.05 1n5r n GLU 142 Ca -0.03 -1.04 -0.15 0.00 -0.42 0.00 0.00 57.16 55.52 1n5r n GLU 142 Cb 0.64 -1.19 -0.03 0.00 -0.57 0.00 0.00 31.44 30.30 1n5r n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n5r n GLY 143 N 0.70 0.41 3.84 0.62 0.00 -0.46 -4.98 105.19 105.30 1n5r n GLY 143 Ca 0.06 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1n5r n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5r s ALA 144 N -2.67 3.18 -0.36 4.61 0.00 -1.09 -4.76 121.76 120.67 1n5r s ALA 144 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 1n5r s ALA 144 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1n5r s ALA 144 CO 0.00 0.17 0.32 0.08 0.00 0.00 0.00 175.76 176.33 1n5r s VAL 145 N -2.16 5.22 -0.11 0.00 1.01 -1.21 -4.10 120.40 119.04 1n5r s VAL 145 Ca 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1n5r s VAL 145 Cb -0.10 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1n5r s VAL 145 CO 0.18 -0.12 -0.08 -0.22 0.00 0.00 0.00 175.10 174.86 1n5r s LEU 146 N 1.88 3.07 -0.02 3.92 0.20 -0.53 -1.18 118.68 126.02 1n5r s LEU 146 Ca 0.09 -0.14 0.06 0.00 0.69 0.00 0.00 54.13 54.82 1n5r s LEU 146 Cb -0.17 -1.70 -0.01 0.00 -0.43 0.00 0.00 46.19 43.88 1n5r s LEU 146 CO 0.11 0.24 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.53 1n5r s VAL 147 N -0.09 1.57 -0.01 1.68 1.01 0.29 -1.00 120.40 123.86 1n5r s VAL 147 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1n5r s VAL 147 Cb -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1n5r s VAL 147 CO 0.03 0.45 0.00 -0.94 0.00 0.00 0.00 175.10 174.64 1n5r s SER 148 N -0.38 0.08 0.23 3.32 1.04 -0.45 -0.24 113.70 117.29 1n5r s SER 148 Ca 0.06 0.00 0.11 0.00 0.48 0.00 0.00 55.95 56.60 1n5r s SER 148 Cb -0.08 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 1n5r s SER 148 CO -0.00 -0.04 -0.20 0.00 0.98 0.00 0.00 173.24 173.98 1n5r s MET 149 N 0.34 1.54 0.07 4.02 0.23 -1.25 0.33 119.30 124.57 1n5r s MET 149 Ca -0.03 -1.63 -0.11 0.00 -1.03 0.00 0.00 55.69 52.90 1n5r s MET 149 Cb -0.04 -1.66 -0.06 0.00 -1.53 0.00 0.00 34.83 31.54 1n5r s MET 149 CO -0.01 0.33 0.41 -0.80 -2.03 0.00 0.00 175.02 172.91 1n5r s ASN 150 N -3.12 6.67 0.03 -1.18 -0.87 -0.46 -4.51 114.94 111.51 1n5r s ASN 150 Ca 0.24 0.83 0.01 0.00 -1.57 0.00 0.00 52.86 52.37 1n5r s ASN 150 Cb -0.05 -2.19 -0.02 0.00 -0.02 0.00 0.00 41.25 38.96 1n5r s ASN 150 CO 0.11 0.19 -0.05 -0.72 -2.57 0.00 0.00 177.10 174.07 1n5r s TYR 151 N -1.35 0.44 0.37 2.20 1.13 -1.26 -4.49 117.35 114.39 1n5r s TYR 151 Ca 0.32 -0.53 -0.28 0.00 -1.41 0.00 0.00 57.07 55.17 1n5r s TYR 151 Cb -0.14 -0.28 -0.11 0.00 -1.10 0.00 0.00 41.96 40.32 1n5r s TYR 151 CO 0.17 -0.15 1.47 1.03 -2.51 0.00 0.00 175.55 175.57 1n5r s ARG 152 N -1.58 4.13 0.45 -3.49 0.52 -1.26 -4.86 118.95 112.86 1n5r s ARG 152 Ca -0.13 2.54 0.03 0.00 -0.52 0.00 0.00 55.73 57.65 1n5r s ARG 152 Cb -0.10 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1n5r s ARG 152 CO -0.01 -0.51 0.05 0.14 0.02 0.00 0.00 175.30 175.00 1n5r s VAL 153 N -1.10 1.03 0.00 3.52 -7.23 -1.26 -4.21 120.40 111.15 1n5r s VAL 153 Ca 0.53 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1n5r s VAL 153 Cb -0.46 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1n5r s VAL 153 CO 0.62 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 1n5r n GLY 154 N -1.07 1.46 0.33 2.32 0.00 0.32 -2.09 105.19 106.46 1n5r n GLY 154 Ca -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.31 1n5r n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1n5r h THR 155 N 0.00 1.24 -0.59 2.61 1.35 -1.90 0.62 112.91 116.25 1n5r h THR 155 Ca 0.00 -0.59 0.07 0.00 -0.55 0.00 0.00 66.41 65.34 1n5r h THR 155 Cb 0.00 0.11 -0.03 0.00 -1.73 0.00 0.00 68.15 66.50 1n5r h THR 155 CO 0.00 0.27 0.39 -0.26 -0.25 0.00 0.00 175.52 175.67 1n5r h PHE 156 N 1.16 0.54 0.00 4.73 0.04 -1.87 -0.78 116.94 120.76 1n5r h PHE 156 Ca 0.30 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 61.01 1n5r h PHE 156 Cb 0.01 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 1n5r h PHE 156 CO 0.00 0.29 -2.05 0.41 -0.60 0.00 0.00 178.31 176.36 1n5r n GLY 157 N -1.49 -0.98 0.00 -1.45 0.00 -0.89 -4.12 105.19 96.26 1n5r n GLY 157 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1n5r n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n5r n PHE 158 N -2.34 0.00 -2.33 1.61 3.72 0.18 -1.26 117.46 117.05 1n5r n PHE 158 Ca -0.09 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 1n5r n PHE 158 Cb 0.67 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.17 1n5r n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1n5r s LEU 159 N -0.22 4.36 0.02 4.37 0.20 -0.31 -4.46 118.68 122.63 1n5r s LEU 159 Ca 0.00 2.10 0.01 0.00 0.69 0.00 0.00 54.13 56.93 1n5r s LEU 159 Cb 0.00 -3.58 -0.01 0.00 -0.43 0.00 0.00 46.19 42.17 1n5r s LEU 159 CO 0.00 -0.56 -0.04 0.00 -0.29 0.00 0.00 176.35 175.46 1n5r s ALA 160 N 1.32 0.27 -0.62 5.97 0.00 -1.26 -4.32 121.76 123.12 1n5r s ALA 160 Ca 0.61 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1n5r s ALA 160 Cb -0.31 0.03 0.16 0.00 0.00 0.00 0.00 23.12 23.00 1n5r s ALA 160 CO 0.29 -0.03 0.42 -0.51 0.00 0.00 0.00 175.76 175.92 1n5r s LEU 161 N -0.83 4.17 -0.04 0.00 1.43 0.09 -3.88 118.68 119.62 1n5r s LEU 161 Ca -0.07 -3.52 -0.40 0.00 -1.03 0.00 0.00 54.13 49.11 1n5r s LEU 161 Cb -0.06 -1.45 -0.19 0.00 0.03 0.00 0.00 46.19 44.52 1n5r s LEU 161 CO -0.00 -0.13 1.17 -2.65 0.23 0.00 0.00 176.35 174.96 1n5r n PRO 162 N 2.39 0.17 0.00 1.29 -0.02 -1.26 -0.75 135.00 136.82 1n5r n PRO 162 Ca 0.17 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1n5r n PRO 162 Cb 0.36 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1n5r n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5r n GLY 163 N 1.92 3.12 3.70 -1.23 0.00 -1.26 -5.04 105.19 106.39 1n5r n GLY 163 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1n5r n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n5r s SER 164 N -0.34 3.27 -0.10 1.61 1.04 0.07 -4.97 113.70 114.27 1n5r s SER 164 Ca 0.00 1.59 0.12 0.00 0.48 0.00 0.00 55.95 58.14 1n5r s SER 164 Cb 0.00 -2.25 -0.24 0.00 0.10 0.00 0.00 66.02 63.63 1n5r s SER 164 CO 0.00 -2.78 0.45 -1.14 0.98 0.00 0.00 173.24 170.74 1n5r n ARG 165 N -3.99 0.66 0.15 4.02 0.63 -1.26 -4.06 116.66 112.81 1n5r n ARG 165 Ca 0.07 0.21 0.11 0.00 -0.92 0.00 0.00 57.85 57.32 1n5r n ARG 165 Cb 0.55 -1.70 0.07 0.00 0.45 0.00 0.00 32.46 31.82 1n5r n ARG 165 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1n5r h GLU 166 N 0.01 0.00 -1.29 -0.14 3.07 -1.93 -3.40 114.58 110.90 1n5r h GLU 166 Ca -0.38 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.06 1n5r h GLU 166 Cb 2.07 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 29.68 1n5r h GLU 166 CO 0.06 0.03 -0.91 0.00 -1.40 0.00 0.00 179.01 176.80 1n5r n ALA 167 N -2.16 1.04 0.29 3.43 0.00 -1.26 -4.11 120.51 117.75 1n5r n ALA 167 Ca 0.01 -2.70 0.14 0.00 0.00 0.00 0.00 53.44 50.90 1n5r n ALA 167 Cb 0.56 -1.00 0.67 0.00 0.00 0.00 0.00 19.45 19.68 1n5r n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1n5r h PRO 168 N 3.56 0.00 0.00 0.00 0.13 -1.76 0.30 132.00 134.23 1n5r h PRO 168 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1n5r h PRO 168 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1n5r h PRO 168 CO 0.39 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.57 1n5r n GLY 169 N -0.56 0.24 2.57 1.56 0.00 -1.26 -4.64 105.19 103.10 1n5r n GLY 169 Ca -0.00 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 1n5r n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n5r n ASN 170 N -0.85 -5.29 0.25 1.61 3.02 -1.26 -4.86 115.26 107.87 1n5r n ASN 170 Ca 0.00 0.44 0.10 0.00 -0.03 0.00 0.00 54.58 55.09 1n5r n ASN 170 Cb 0.00 -4.51 0.64 0.00 -0.61 0.00 0.00 39.78 35.30 1n5r n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1n5r h VAL 171 N 0.00 0.80 -0.23 2.41 -1.51 -1.83 -0.56 116.25 115.33 1n5r h VAL 171 Ca -0.36 -0.57 -0.07 0.00 -1.23 0.00 0.00 66.70 64.47 1n5r h VAL 171 Cb 1.26 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.74 1n5r h VAL 171 CO 0.53 0.14 -0.14 1.23 -1.23 0.00 0.00 177.57 178.10 1n5r h GLY 172 N 0.70 0.41 1.67 5.19 0.00 -1.40 0.18 103.07 109.82 1n5r h GLY 172 Ca -0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 1n5r h GLY 172 CO 0.02 0.26 -0.76 1.41 0.00 0.00 0.00 176.54 177.47 1n5r h LEU 173 N 0.35 0.39 -1.10 3.11 3.38 -1.41 -2.39 115.31 117.64 1n5r h LEU 173 Ca 0.07 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1n5r h LEU 173 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1n5r h LEU 173 CO 0.03 1.01 -0.37 -0.07 0.09 0.00 0.00 178.44 179.13 1n5r h LEU 174 N 0.21 0.15 -0.41 1.67 3.38 -0.38 -0.52 115.31 119.41 1n5r h LEU 174 Ca -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1n5r h LEU 174 Cb 1.34 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1n5r h LEU 174 CO 0.12 0.52 0.19 0.44 0.09 0.00 0.00 178.44 179.80 1n5r h ASP 175 N 0.13 0.54 -0.59 -0.43 3.32 -0.38 0.09 116.42 119.10 1n5r h ASP 175 Ca 0.01 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1n5r h ASP 175 Cb 0.71 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1n5r h ASP 175 CO 0.05 0.53 0.34 1.56 -1.72 0.00 0.00 179.24 180.00 1n5r h GLN 176 N 0.52 0.82 -0.84 3.56 4.20 -0.93 -2.11 115.11 120.33 1n5r h GLN 176 Ca 0.14 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 1n5r h GLN 176 Cb 0.13 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1n5r h GLN 176 CO -0.02 0.62 0.41 -0.09 -0.67 0.00 0.00 178.83 179.08 1n5r h ARG 177 N 0.80 1.21 -0.79 1.46 2.43 -0.67 -1.35 114.38 117.47 1n5r h ARG 177 Ca 0.21 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1n5r h ARG 177 Cb 0.02 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1n5r h ARG 177 CO -0.04 0.92 0.30 1.25 -1.51 0.00 0.00 179.97 180.89 1n5r h LEU 178 N 1.19 1.10 -1.28 3.80 5.85 -0.60 0.11 115.31 125.49 1n5r h LEU 178 Ca 0.29 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1n5r h LEU 178 Cb 0.11 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1n5r h LEU 178 CO -0.04 0.99 -0.06 0.00 -0.34 0.00 0.00 178.44 178.99 1n5r h ALA 179 N 1.16 1.41 -0.50 1.25 0.00 -0.85 0.16 119.26 121.90 1n5r h ALA 179 Ca 0.26 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1n5r h ALA 179 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1n5r h ALA 179 CO -0.02 0.41 -0.14 -0.07 0.00 0.00 0.00 179.25 179.43 1n5r h LEU 180 N 0.40 0.97 -0.67 0.00 4.07 -0.19 -1.28 115.31 118.62 1n5r h LEU 180 Ca 0.08 -0.33 -0.09 0.00 0.08 0.00 0.00 57.88 57.62 1n5r h LEU 180 Cb 0.36 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1n5r h LEU 180 CO 0.02 1.10 0.04 1.56 -1.08 0.00 0.00 178.44 180.08 1n5r h GLN 181 N 0.85 1.07 -0.85 1.13 4.20 -0.25 -2.18 115.11 119.09 1n5r h GLN 181 Ca 0.13 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1n5r h GLN 181 Cb 0.70 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1n5r h GLN 181 CO 0.05 1.02 0.48 2.35 -0.67 0.00 0.00 178.83 182.07 1n5r h TRP 182 N 0.99 1.14 -0.33 2.96 7.01 -0.34 -1.46 115.95 125.92 1n5r h TRP 182 Ca 0.18 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1n5r h TRP 182 Cb 0.51 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1n5r h TRP 182 CO 0.04 0.78 0.11 0.28 -2.79 0.00 0.00 178.44 176.85 1n5r h VAL 183 N 1.18 1.21 -0.44 2.65 2.07 -0.86 0.16 116.25 122.21 1n5r h VAL 183 Ca 0.30 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1n5r h VAL 183 Cb -0.00 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1n5r h VAL 183 CO -0.05 0.23 0.10 1.56 0.02 0.00 0.00 177.57 179.42 1n5r h GLN 184 N 0.39 0.23 0.00 1.57 1.08 -0.81 0.24 115.11 117.81 1n5r h GLN 184 Ca 0.11 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 1n5r h GLN 184 Cb 0.25 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1n5r h GLN 184 CO -0.00 0.15 -0.48 0.93 -0.95 0.00 0.00 178.83 178.48 1n5r h GLU 185 N 0.24 0.00 0.00 1.46 5.08 -1.12 -3.40 114.58 116.83 1n5r h GLU 185 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1n5r h GLU 185 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1n5r h GLU 185 CO -0.27 0.48 -0.41 0.09 -1.00 0.00 0.00 179.01 177.89 1n5r n ASN 186 N -3.42 2.07 0.26 1.42 3.02 0.03 -4.84 115.26 113.80 1n5r n ASN 186 Ca 0.00 -0.15 0.09 0.00 -0.03 0.00 0.00 54.58 54.49 1n5r n ASN 186 Cb 0.62 0.72 0.65 0.00 -0.61 0.00 0.00 39.78 41.16 1n5r n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1n5r h ILE 187 N 0.00 0.95 -0.58 2.41 6.09 -1.10 -1.84 117.51 123.44 1n5r h ILE 187 Ca 0.00 -0.11 0.06 0.00 -1.37 0.00 0.00 64.86 63.44 1n5r h ILE 187 Cb 0.00 1.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.32 1n5r h ILE 187 CO 0.00 0.03 0.39 0.00 -3.07 0.00 0.00 178.15 175.50 1n5r h ALA 188 N 1.97 1.84 0.00 0.18 0.00 -1.79 0.24 119.26 121.71 1n5r h ALA 188 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n5r h ALA 188 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n5r h ALA 188 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1n5r h ALA 189 N 1.69 1.00 -0.06 0.00 0.00 -1.63 0.90 119.26 121.15 1n5r h ALA 189 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1n5r h ALA 189 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1n5r h ALA 189 CO -0.07 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.37 1n5r n PHE 190 N -2.71 0.05 -0.35 0.00 3.01 -0.01 -4.86 117.46 112.59 1n5r n PHE 190 Ca -0.02 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1n5r n PHE 190 Cb 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1n5r n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n5r n GLY 191 N 1.10 0.82 3.89 1.37 0.00 0.31 -4.51 105.19 108.16 1n5r n GLY 191 Ca 0.12 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1n5r n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n5r s GLY 192 N -2.09 2.10 -0.45 -0.02 0.00 -0.67 -0.84 107.32 105.34 1n5r s GLY 192 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 44.72 44.14 1n5r s GLY 192 CO 0.00 -0.29 0.44 -0.35 0.00 0.00 0.00 173.10 172.90 1n5r s ASP 193 N -2.72 6.17 0.12 1.64 -1.08 0.12 -3.35 116.67 117.57 1n5r s ASP 193 Ca 0.46 -0.99 0.14 0.00 -0.52 0.00 0.00 52.55 51.63 1n5r s ASP 193 Cb -0.11 -2.21 0.63 0.00 -1.46 0.00 0.00 42.92 39.76 1n5r s ASP 193 CO 0.25 -0.65 1.42 -0.81 0.52 0.00 0.00 175.17 175.91 1n5r n PRO 194 N 5.50 0.07 -0.05 4.34 -0.04 -1.26 -1.37 135.00 142.19 1n5r n PRO 194 Ca -0.10 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1n5r n PRO 194 Cb 0.46 -1.67 0.44 0.00 -0.04 0.00 0.00 33.50 32.69 1n5r n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1n5r n MET 195 N -1.81 1.69 -3.40 0.54 2.81 -1.26 -4.42 117.12 111.27 1n5r n MET 195 Ca 0.01 -1.02 -0.27 0.00 -1.81 0.00 0.00 57.70 54.61 1n5r n MET 195 Cb 0.11 -1.43 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 1n5r n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1n5r s SER 196 N -1.73 1.47 -0.19 7.83 0.15 -0.47 -4.93 113.70 115.83 1n5r s SER 196 Ca 0.35 -3.06 -0.01 0.00 0.70 0.00 0.00 55.95 53.92 1n5r s SER 196 Cb 0.19 -0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1n5r s SER 196 CO 0.29 -0.17 -0.11 -0.69 1.20 0.00 0.00 173.24 173.76 1n5r s VAL 197 N 0.06 2.88 -0.18 4.45 1.01 -1.26 -0.54 120.40 126.82 1n5r s VAL 197 Ca 0.33 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1n5r s VAL 197 Cb 0.03 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1n5r s VAL 197 CO -0.20 0.48 -0.06 -0.89 0.00 0.00 0.00 175.10 174.43 1n5r s THR 198 N 1.18 3.44 -0.01 3.92 2.01 0.50 -0.69 115.64 125.98 1n5r s THR 198 Ca 0.02 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 1n5r s THR 198 Cb -0.14 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 1n5r s THR 198 CO -0.04 0.47 0.44 -0.76 -0.69 0.00 0.00 174.62 174.04 1n5r s LEU 199 N 0.85 4.45 0.02 4.42 1.43 -0.80 0.03 118.68 129.07 1n5r s LEU 199 Ca -0.02 0.98 -0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1n5r s LEU 199 Cb -0.15 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 1n5r s LEU 199 CO 0.01 0.26 -0.02 0.72 0.23 0.00 0.00 176.35 177.55 1n5r s PHE 200 N -0.77 0.23 0.09 0.29 -0.71 -0.07 -0.40 117.98 116.64 1n5r s PHE 200 Ca 0.25 -0.47 -0.26 0.00 -1.04 0.00 0.00 56.93 55.40 1n5r s PHE 200 Cb -0.17 -0.17 0.08 0.00 -1.21 0.00 0.00 43.02 41.55 1n5r s PHE 200 CO 0.14 -0.17 0.90 0.20 -1.34 0.00 0.00 175.22 174.95 1n5r s GLY 201 N -1.33 -0.35 0.05 1.99 0.00 -1.10 -1.30 107.32 105.29 1n5r s GLY 201 Ca -0.15 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.15 1n5r s GLY 201 CO -0.01 0.15 -0.18 1.85 0.00 0.00 0.00 173.10 174.91 1n5r s GLU 202 N -3.25 1.20 6.54 2.90 -6.30 -1.24 -1.19 118.70 117.36 1n5r s GLU 202 Ca 0.09 -0.89 0.00 0.00 -2.50 0.00 0.00 54.97 51.66 1n5r s GLU 202 Cb -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 34.13 32.83 1n5r s GLU 202 CO -0.03 0.32 0.00 0.45 0.02 0.00 0.00 175.26 176.02 1n5r n SER 203 N 1.80 0.00 0.08 -1.70 2.88 0.46 -0.33 113.62 116.81 1n5r n SER 203 Ca -0.18 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.53 1n5r n SER 203 Cb 0.54 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.69 1n5r n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n5r h ALA 204 N -0.82 2.32 -0.37 -1.46 0.00 -1.86 0.44 119.26 117.51 1n5r h ALA 204 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1n5r h ALA 204 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n5r h ALA 204 CO 0.00 -0.47 -0.19 0.78 0.00 0.00 0.00 179.25 179.37 1n5r h GLY 205 N 0.00 0.75 0.91 0.00 0.00 -0.62 0.19 103.07 104.31 1n5r h GLY 205 Ca 0.18 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 1n5r h GLY 205 CO -0.00 0.56 -0.18 0.00 0.00 0.00 0.00 176.54 176.92 1n5r h ALA 206 N 1.17 0.40 -0.97 3.60 0.00 -0.13 -0.96 119.26 122.37 1n5r h ALA 206 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n5r h ALA 206 Cb 0.67 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1n5r h ALA 206 CO 0.05 0.31 0.62 0.00 0.00 0.00 0.00 179.25 180.23 1n5r h ALA 207 N 0.73 1.27 -0.20 0.00 0.00 -0.63 -0.12 119.26 120.30 1n5r h ALA 207 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n5r h ALA 207 Cb 0.71 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1n5r h ALA 207 CO 0.05 0.66 0.11 0.77 0.00 0.00 0.00 179.25 180.84 1n5r h SER 208 N 1.32 0.25 -0.58 0.00 0.02 -0.39 -0.17 113.55 113.99 1n5r h SER 208 Ca 0.35 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 1n5r h SER 208 Cb -0.11 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.30 1n5r h SER 208 CO -0.07 0.25 0.24 0.58 -1.14 0.00 0.00 176.83 176.69 1n5r h VAL 209 N 0.23 0.83 -0.74 2.27 2.07 -0.46 -0.99 116.25 119.46 1n5r h VAL 209 Ca 0.07 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1n5r h VAL 209 Cb 0.05 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 1n5r h VAL 209 CO -0.01 0.08 0.49 1.23 0.02 0.00 0.00 177.57 179.38 1n5r h GLY 210 N 0.45 1.03 2.00 2.17 0.00 -0.52 -1.35 103.07 106.85 1n5r h GLY 210 Ca 0.28 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 1n5r h GLY 210 CO -0.26 0.34 -0.46 -0.33 0.00 0.00 0.00 176.54 175.83 1n5r h MET 211 N 0.95 0.00 -0.10 4.80 2.86 0.20 -1.63 114.93 122.01 1n5r h MET 211 Ca 0.28 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.77 1n5r h MET 211 Cb -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1n5r h MET 211 CO -0.07 0.46 -0.59 0.45 1.06 0.00 0.00 176.91 178.22 1n5r h HIS 212 N 0.00 0.42 -0.43 -0.22 3.86 -0.21 -1.65 115.15 116.92 1n5r h HIS 212 Ca -0.00 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.02 1n5r h HIS 212 Cb 0.92 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 1n5r h HIS 212 CO 0.00 0.84 0.17 0.82 0.86 0.00 0.00 177.93 180.62 1n5r h ILE 213 N 0.25 1.17 -0.44 2.45 2.04 -0.76 -2.85 117.51 119.36 1n5r h ILE 213 Ca -0.00 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1n5r h ILE 213 Cb 1.11 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1n5r h ILE 213 CO 0.10 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.63 1n5r n LEU 214 N -4.37 2.81 -3.96 1.44 4.77 -0.67 -4.77 117.00 112.26 1n5r n LEU 214 Ca 0.03 -1.33 -0.31 0.00 -0.03 0.00 0.00 56.01 54.38 1n5r n LEU 214 Cb 0.15 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 1n5r n LEU 214 CO 0.37 0.66 -0.40 -0.55 -1.33 0.00 0.00 177.39 176.15 1n5r s SER 215 N -1.21 4.22 0.26 -1.43 0.15 -0.66 -4.77 113.70 110.26 1n5r s SER 215 Ca 0.36 -1.52 -0.09 0.00 0.70 0.00 0.00 55.95 55.41 1n5r s SER 215 Cb 0.20 -1.33 0.41 0.00 -1.71 0.00 0.00 66.02 63.58 1n5r s SER 215 CO 0.27 -0.28 1.47 -0.11 1.20 0.00 0.00 173.24 175.78 1n5r n LEU 216 N 4.54 -0.37 0.33 3.45 7.94 -1.26 -0.23 117.00 131.40 1n5r n LEU 216 Ca -0.07 1.62 0.21 0.00 -1.11 0.00 0.00 56.01 56.65 1n5r n LEU 216 Cb 0.43 -0.48 1.10 0.00 0.53 0.00 0.00 43.42 45.01 1n5r n LEU 216 CO 0.19 -1.54 1.17 -0.65 -1.11 0.00 0.00 177.39 175.45 1n5r h PRO 217 N 0.00 0.00 0.00 1.96 0.11 -1.94 -1.37 132.00 130.76 1n5r h PRO 217 Ca 0.44 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.34 1n5r h PRO 217 Cb 0.67 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 1n5r h PRO 217 CO -0.96 0.00 -1.14 0.77 -0.21 0.00 0.00 178.00 176.45 1n5r h SER 218 N 0.00 0.00 -0.39 -2.05 0.02 -0.85 -3.38 113.55 106.91 1n5r h SER 218 Ca 0.01 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.07 1n5r h SER 218 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1n5r h SER 218 CO -0.00 0.86 0.38 0.03 -1.14 0.00 0.00 176.83 176.96 1n5r h ARG 219 N 0.00 0.00 -0.18 3.45 2.47 -1.18 0.10 114.38 119.04 1n5r h ARG 219 Ca -0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1n5r h ARG 219 Cb 1.74 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.06 1n5r h ARG 219 CO 0.10 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.50 1n5r n SER 220 N -3.85 1.44 -0.35 7.04 3.41 -1.26 -3.79 113.62 116.25 1n5r n SER 220 Ca 0.07 -1.74 0.09 0.00 -0.26 0.00 0.00 58.87 57.02 1n5r n SER 220 Cb 0.56 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1n5r n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n5r n LEU 221 N 0.20 1.63 -3.86 1.04 4.77 0.35 -5.01 117.00 116.11 1n5r n LEU 221 Ca 0.14 -0.73 -0.09 0.00 -0.03 0.00 0.00 56.01 55.30 1n5r n LEU 221 Cb 0.28 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1n5r n LEU 221 CO 0.11 0.31 0.17 0.72 -1.33 0.00 0.00 177.39 177.38 1n5r s PHE 222 N -2.13 0.13 -0.01 -1.77 -0.71 -1.25 -4.87 117.98 107.38 1n5r s PHE 222 Ca 0.14 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.55 1n5r s PHE 222 Cb 0.14 0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 42.16 1n5r s PHE 222 CO 0.48 -0.89 0.02 0.72 -1.34 0.00 0.00 175.22 174.22 1n5r n HIS 223 N -0.32 0.00 -4.14 3.49 8.25 0.13 -4.93 115.22 117.72 1n5r n HIS 223 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 1n5r n HIS 223 Cb 0.62 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.59 1n5r n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1n5r s ARG 224 N -2.07 1.04 -0.04 -0.41 0.52 -1.13 -4.29 118.95 112.57 1n5r s ARG 224 Ca -0.01 -1.45 -0.17 0.00 -0.52 0.00 0.00 55.73 53.58 1n5r s ARG 224 Cb 0.01 0.27 0.03 0.00 0.52 0.00 0.00 34.95 35.78 1n5r s ARG 224 CO 0.06 -0.32 0.38 0.00 0.02 0.00 0.00 175.30 175.43 1n5r s ALA 225 N -4.07 -0.97 -0.08 2.13 0.00 -1.06 -1.91 121.76 115.80 1n5r s ALA 225 Ca 0.27 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1n5r s ALA 225 Cb 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1n5r s ALA 225 CO 0.04 -0.27 -0.10 0.08 0.00 0.00 0.00 175.76 175.51 1n5r s VAL 226 N -1.11 1.07 -0.26 0.00 1.01 0.46 -1.19 120.40 120.39 1n5r s VAL 226 Ca -0.11 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1n5r s VAL 226 Cb -0.04 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.38 1n5r s VAL 226 CO 0.05 0.35 -0.10 -0.76 0.00 0.00 0.00 175.10 174.64 1n5r s LEU 227 N 0.99 3.28 -0.30 3.92 1.02 -0.06 -2.70 118.68 124.82 1n5r s LEU 227 Ca -0.09 -1.36 -0.11 0.00 0.02 0.00 0.00 54.13 52.60 1n5r s LEU 227 Cb -0.15 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 1n5r s LEU 227 CO -0.00 -0.20 0.19 -1.10 0.02 0.00 0.00 176.35 175.26 1n5r s GLN 228 N 1.16 3.67 -1.53 1.70 -0.21 -0.33 -2.55 119.66 121.57 1n5r s GLN 228 Ca -0.08 -0.51 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 1n5r s GLN 228 Cb -0.20 -3.67 0.08 0.00 1.00 0.00 0.00 33.01 30.22 1n5r s GLN 228 CO -0.05 -0.31 0.83 0.43 -2.12 0.00 0.00 175.29 174.06 1n5r n SER 229 N 5.05 -3.38 -3.59 5.90 7.64 0.23 -0.40 113.62 125.06 1n5r n SER 229 Ca -0.14 -0.87 -0.07 0.00 1.01 0.00 0.00 58.87 58.81 1n5r n SER 229 Cb 0.51 -3.54 -0.04 0.00 -1.01 0.00 0.00 64.21 60.13 1n5r n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1n5r s GLY 230 N -3.59 -0.18 0.09 0.23 0.00 -1.26 -3.27 107.32 99.34 1n5r s GLY 230 Ca 0.51 2.12 -0.11 0.00 0.00 0.00 0.00 44.72 47.24 1n5r s GLY 230 CO 0.86 0.91 0.26 -0.51 0.00 0.00 0.00 173.10 174.63 1n5r s THR 231 N -1.46 0.11 0.19 0.90 -4.23 -1.26 -4.18 115.64 105.71 1n5r s THR 231 Ca 0.04 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1n5r s THR 231 Cb -0.01 -1.23 -0.12 0.00 1.34 0.00 0.00 72.50 72.49 1n5r s THR 231 CO -0.03 -0.52 1.43 1.55 -0.54 0.00 0.00 174.62 176.52 1n5r h PRO 232 N 2.72 0.17 -7.75 3.99 0.13 -1.83 -3.40 132.00 126.03 1n5r h PRO 232 Ca -0.34 -0.17 -0.45 0.00 -0.87 0.00 0.00 66.00 64.18 1n5r h PRO 232 Cb 1.22 0.04 0.16 0.00 0.13 0.00 0.00 31.00 32.54 1n5r h PRO 232 CO 0.52 0.88 0.39 0.54 -0.23 0.00 0.00 178.00 180.10 1n5r s ASN 233 N -6.90 3.23 0.00 1.44 4.22 -1.26 -4.54 114.94 111.14 1n5r s ASN 233 Ca -0.03 0.19 0.00 0.00 -2.14 0.00 0.00 52.86 50.89 1n5r s ASN 233 Cb 0.11 -0.26 0.00 0.00 1.28 0.00 0.00 41.25 42.37 1n5r s ASN 233 CO 0.81 -2.65 0.00 0.61 -2.04 0.00 0.00 177.10 173.83 1n5r n GLY 234 N -3.67 1.89 0.25 0.45 0.00 -1.26 -4.72 105.19 98.12 1n5r n GLY 234 Ca 0.15 -2.05 0.16 0.00 0.00 0.00 0.00 46.02 44.29 1n5r n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n5r h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.87 -3.38 132.00 128.48 1n5r h PRO 235 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1n5r h PRO 235 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1n5r h PRO 235 CO 0.00 0.00 -1.02 -2.67 -0.23 0.00 0.00 178.00 174.08 1n5r n TRP 236 N -2.89 0.00 0.29 1.56 4.27 -1.26 -4.78 117.44 114.64 1n5r n TRP 236 Ca 0.01 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.78 1n5r n TRP 236 Cb 0.27 -0.01 0.60 0.00 -1.36 0.00 0.00 31.31 30.80 1n5r n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1n5r h ALA 237 N 0.03 1.00 -2.37 -1.67 0.00 -1.84 -3.43 119.26 110.98 1n5r h ALA 237 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1n5r h ALA 237 Cb 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.75 1n5r h ALA 237 CO 0.00 0.00 -0.62 0.95 0.00 0.00 0.00 179.25 179.58 1n5r s THR 238 N -3.56 0.15 0.07 0.00 -4.23 -1.26 -3.69 115.64 103.13 1n5r s THR 238 Ca 0.02 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1n5r s THR 238 Cb 0.09 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.12 1n5r s THR 238 CO 0.54 -0.69 -0.06 0.68 -0.54 0.00 0.00 174.62 174.55 1n5r s VAL 239 N -3.98 0.54 0.82 2.29 -7.23 -0.84 -4.99 120.40 107.01 1n5r s VAL 239 Ca 0.15 -1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 58.55 1n5r s VAL 239 Cb 0.07 -1.33 0.09 0.00 0.56 0.00 0.00 36.38 35.77 1n5r s VAL 239 CO -0.04 -0.77 1.10 -0.94 -0.31 0.00 0.00 175.10 174.14 1n5r s SER 240 N -2.60 4.21 0.20 4.85 1.04 -1.26 -1.48 113.70 118.66 1n5r s SER 240 Ca 0.04 1.36 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 1n5r s SER 240 Cb 0.02 -2.08 0.16 0.00 0.10 0.00 0.00 66.02 64.21 1n5r s SER 240 CO -0.04 -2.15 1.85 0.00 0.98 0.00 0.00 173.24 173.88 1n5r h ALA 241 N -1.21 0.88 -0.41 5.32 0.00 -1.94 -1.52 119.26 120.36 1n5r h ALA 241 Ca -0.48 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1n5r h ALA 241 Cb 1.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1n5r h ALA 241 CO 0.58 0.23 0.27 0.78 0.00 0.00 0.00 179.25 181.11 1n5r h GLY 242 N 0.87 0.58 1.77 0.00 0.00 -1.92 -1.22 103.07 103.15 1n5r h GLY 242 Ca 0.26 -0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 1n5r h GLY 242 CO -0.09 0.21 -0.46 -2.09 0.00 0.00 0.00 176.54 174.11 1n5r h GLU 243 N 0.55 0.25 -0.37 4.80 4.57 -1.87 -1.45 114.58 121.06 1n5r h GLU 243 Ca 0.15 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 1n5r h GLU 243 Cb -0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1n5r h GLU 243 CO -0.04 0.67 -0.09 0.00 -1.18 0.00 0.00 179.01 178.37 1n5r h ALA 244 N 1.32 0.51 -0.36 2.92 0.00 -0.96 -1.16 119.26 121.53 1n5r h ALA 244 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1n5r h ALA 244 Cb 0.89 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1n5r h ALA 244 CO 0.07 0.37 0.23 -0.09 0.00 0.00 0.00 179.25 179.84 1n5r h ARG 245 N 0.52 0.47 -0.32 0.00 2.43 -1.07 -0.56 114.38 115.86 1n5r h ARG 245 Ca 0.09 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1n5r h ARG 245 Cb 0.61 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1n5r h ARG 245 CO 0.04 0.33 0.09 -0.09 -1.51 0.00 0.00 179.97 178.83 1n5r h ARG 246 N 0.48 0.21 -0.23 0.20 2.43 -1.06 -0.09 114.38 116.32 1n5r h ARG 246 Ca 0.13 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1n5r h ARG 246 Cb -0.04 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1n5r h ARG 246 CO -0.03 0.14 -0.29 0.00 -1.51 0.00 0.00 179.97 178.29 1n5r h ARG 247 N 0.22 0.46 -0.04 0.20 3.08 -0.90 -1.32 114.38 116.08 1n5r h ARG 247 Ca 0.14 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1n5r h ARG 247 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1n5r h ARG 247 CO -0.17 0.71 -0.03 0.00 -1.07 0.00 0.00 179.97 179.42 1n5r h ALA 248 N 1.29 0.06 -0.48 0.04 0.00 -0.66 -0.82 119.26 118.69 1n5r h ALA 248 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1n5r h ALA 248 Cb 0.71 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1n5r h ALA 248 CO 0.05 -0.19 0.06 1.79 0.00 0.00 0.00 179.25 180.96 1n5r h THR 249 N -0.31 1.23 -0.48 0.00 1.35 -0.97 0.24 112.91 113.96 1n5r h THR 249 Ca 0.01 -0.88 -0.08 0.00 -0.55 0.00 0.00 66.41 64.91 1n5r h THR 249 Cb 0.48 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 1n5r h THR 249 CO 0.01 0.32 -0.02 0.25 -0.25 0.00 0.00 175.52 175.82 1n5r h LEU 250 N 0.73 0.79 -0.53 3.87 5.85 -1.17 -0.24 115.31 124.59 1n5r h LEU 250 Ca 0.15 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1n5r h LEU 250 Cb 0.36 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1n5r h LEU 250 CO 0.01 0.87 -0.06 0.25 -0.34 0.00 0.00 178.44 179.16 1n5r h LEU 251 N 0.75 0.98 0.05 2.25 5.85 -0.37 -0.92 115.31 123.90 1n5r h LEU 251 Ca 0.14 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1n5r h LEU 251 Cb 0.49 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1n5r h LEU 251 CO 0.02 1.08 -0.15 0.00 -0.34 0.00 0.00 178.44 179.06 1n5r h ALA 252 N 0.93 -0.21 -0.06 1.25 0.00 -0.56 -2.45 119.26 118.16 1n5r h ALA 252 Ca 0.14 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1n5r h ALA 252 Cb 0.62 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1n5r h ALA 252 CO 0.04 -0.65 -0.25 -0.09 0.00 0.00 0.00 179.25 178.29 1n5r h ARG 253 N -0.27 -0.35 -0.28 0.00 2.43 -0.75 0.99 114.38 116.15 1n5r h ARG 253 Ca 0.03 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1n5r h ARG 253 Cb 0.31 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1n5r h ARG 253 CO -0.11 -0.23 0.39 -0.07 -1.51 0.00 0.00 179.97 178.44 1n5r h LEU 254 N -0.36 0.00 -3.25 3.80 3.38 -0.73 -0.60 115.31 117.55 1n5r h LEU 254 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n5r h LEU 254 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1n5r h LEU 254 CO -0.26 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.60 1n5r n VAL 255 N -3.50 2.17 -0.92 1.22 0.24 -0.58 -4.96 118.33 112.00 1n5r n VAL 255 Ca 0.04 -1.66 0.00 0.00 -2.04 0.00 0.00 64.34 60.68 1n5r n VAL 255 Cb 0.53 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1n5r n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n5r n GLY 256 N -0.11 0.51 3.39 7.63 0.00 -0.23 -5.06 105.19 111.31 1n5r n GLY 256 Ca 0.21 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1n5r n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5r n PRO 258 N 2.54 0.00 -1.82 0.00 -0.04 -1.26 -2.52 135.00 131.89 1n5r n PRO 258 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1n5r n PRO 258 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1n5r n PRO 258 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1n5r n ASN 265 N 0.00 -4.97 -0.07 3.54 2.85 -1.26 -5.08 115.26 110.27 1n5r n ASN 265 Ca 0.00 1.23 -0.09 0.00 -0.11 0.00 0.00 54.58 55.61 1n5r n ASN 265 Cb 0.00 -3.50 -0.02 0.00 1.24 0.00 0.00 39.78 37.50 1n5r n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1n5r h ASP 266 N 3.62 0.19 -0.67 1.20 3.32 -2.00 -3.00 116.42 119.09 1n5r h ASP 266 Ca 0.00 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.20 1n5r h ASP 266 Cb 0.00 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 39.42 1n5r h ASP 266 CO 0.00 0.15 0.11 0.74 -1.72 0.00 0.00 179.24 178.52 1n5r h THR 267 N 0.27 0.54 -0.26 0.35 2.02 -2.01 0.03 112.91 113.85 1n5r h THR 267 Ca 0.10 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1n5r h THR 267 Cb 0.03 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1n5r h THR 267 CO -0.07 0.04 0.05 -0.33 0.37 0.00 0.00 175.52 175.59 1n5r h GLU 268 N 0.22 0.42 0.13 6.66 5.08 -1.97 -0.10 114.58 125.02 1n5r h GLU 268 Ca 0.36 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1n5r h GLU 268 Cb 0.59 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1n5r h GLU 268 CO -0.49 0.53 -0.12 1.25 -1.00 0.00 0.00 179.01 179.18 1n5r h LEU 269 N 0.24 -0.32 -0.74 1.33 6.46 -1.20 -1.24 115.31 119.85 1n5r h LEU 269 Ca 0.08 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1n5r h LEU 269 Cb 0.30 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1n5r h LEU 269 CO 0.00 -0.19 0.27 0.40 -0.62 0.00 0.00 178.44 178.31 1n5r h ILE 270 N -0.27 1.26 -0.88 4.05 2.04 -0.99 -0.55 117.51 122.16 1n5r h ILE 270 Ca 0.00 -0.83 0.07 0.00 1.00 0.00 0.00 64.86 65.11 1n5r h ILE 270 Cb 0.26 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 1n5r h ILE 270 CO -0.03 0.33 0.54 0.00 0.00 0.00 0.00 178.15 179.00 1n5r h ALA 271 N 1.13 1.24 -0.19 1.87 0.00 -0.73 0.65 119.26 123.23 1n5r h ALA 271 Ca 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1n5r h ALA 271 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n5r h ALA 271 CO -0.02 0.25 -0.49 0.00 0.00 0.00 0.00 179.25 179.00 1n5r h LEU 273 N 0.41 1.01 -2.12 0.00 3.38 -0.02 -2.10 115.31 115.86 1n5r h LEU 273 Ca 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1n5r h LEU 273 Cb 1.01 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1n5r h LEU 273 CO 0.09 0.87 0.00 0.03 0.09 0.00 0.00 178.44 179.52 1n5r h ARG 274 N 1.07 0.00 -0.00 1.13 3.08 -0.64 -1.58 114.38 117.45 1n5r h ARG 274 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1n5r h ARG 274 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1n5r h ARG 274 CO -0.03 0.00 -0.36 0.25 -1.07 0.00 0.00 179.97 178.76 1n5r n THR 275 N -2.74 0.00 -3.00 2.04 -2.24 -0.79 -4.90 114.28 102.64 1n5r n THR 275 Ca -0.02 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 1n5r n THR 275 Cb 0.10 0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1n5r n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1n5r s ARG 276 N -2.87 4.46 0.52 -0.78 1.81 -0.60 -5.02 118.95 116.47 1n5r s ARG 276 Ca 0.15 1.07 -0.23 0.00 -1.72 0.00 0.00 55.73 55.01 1n5r s ARG 276 Cb 0.18 -3.07 -0.06 0.00 -0.45 0.00 0.00 34.95 31.55 1n5r s ARG 276 CO 0.63 0.48 1.38 -2.14 -0.68 0.00 0.00 175.30 174.97 1n5r s PRO 277 N -1.54 3.28 0.22 3.54 0.02 -1.26 -4.90 135.00 134.37 1n5r s PRO 277 Ca 0.40 2.30 -0.08 0.00 0.02 0.00 0.00 61.00 63.63 1n5r s PRO 277 Cb -0.20 -2.37 0.35 0.00 0.02 0.00 0.00 34.50 32.30 1n5r s PRO 277 CO 0.24 -1.10 1.70 0.00 -0.33 0.00 0.00 177.00 177.51 1n5r h ALA 278 N 1.69 0.79 0.00 -1.55 0.00 -1.97 -0.90 119.26 117.32 1n5r h ALA 278 Ca -0.51 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1n5r h ALA 278 Cb 1.29 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1n5r h ALA 278 CO 0.58 -0.31 -0.02 0.37 0.00 0.00 0.00 179.25 179.87 1n5r h GLN 279 N 0.26 0.00 -0.40 0.00 5.75 -1.99 -1.99 115.11 116.74 1n5r h GLN 279 Ca 0.35 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.74 1n5r h GLN 279 Cb 0.55 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1n5r h GLN 279 CO -0.44 0.02 -0.16 -0.44 -2.65 0.00 0.00 178.83 175.16 1n5r h ASP 280 N 0.00 0.83 -0.05 -0.69 5.19 -1.51 -0.18 116.42 120.01 1n5r h ASP 280 Ca -0.00 -0.39 -0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1n5r h ASP 280 Cb 0.25 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.53 1n5r h ASP 280 CO 0.00 1.04 0.01 -0.07 -3.12 0.00 0.00 179.24 177.10 1n5r h LEU 281 N 0.62 0.07 -1.50 1.55 4.07 -1.37 -2.88 115.31 115.87 1n5r h LEU 281 Ca 0.09 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 57.86 1n5r h LEU 281 Cb 0.71 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.40 1n5r h LEU 281 CO 0.05 0.28 0.38 0.58 -1.08 0.00 0.00 178.44 178.65 1n5r h VAL 282 N -0.14 1.07 -0.05 1.22 2.07 -1.39 -1.85 116.25 117.18 1n5r h VAL 282 Ca 0.01 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1n5r h VAL 282 Cb 0.24 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1n5r h VAL 282 CO 0.00 0.12 0.04 0.44 0.02 0.00 0.00 177.57 178.19 1n5r h ASP 283 N 0.65 0.00 -0.02 0.57 3.32 -0.80 -2.88 116.42 117.26 1n5r h ASP 283 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1n5r h ASP 283 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1n5r h ASP 283 CO -0.06 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.87 1n5r n HIS 284 N -4.36 0.00 -0.22 4.55 8.25 -0.85 -4.72 115.22 117.87 1n5r n HIS 284 Ca -0.02 -0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1n5r n HIS 284 Cb 0.14 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.31 1n5r n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1n5r h GLU 285 N 2.12 -0.03 0.00 -0.41 4.81 -1.13 -1.21 114.58 118.73 1n5r h GLU 285 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n5r h GLU 285 Cb 0.45 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1n5r h GLU 285 CO 0.00 -0.02 0.00 0.91 -0.73 0.00 0.00 179.01 179.17 1n5r n TRP 286 N -5.45 0.00 0.47 0.92 7.02 -1.26 -3.50 117.44 115.63 1n5r n TRP 286 Ca 0.08 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.61 1n5r n TRP 286 Cb 0.35 -0.29 0.19 0.00 -2.42 0.00 0.00 31.31 29.14 1n5r n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1n5r n HIS 287 N -1.29 0.74 0.53 -5.99 8.25 -0.46 -4.01 115.22 112.99 1n5r n HIS 287 Ca 0.11 -0.31 0.06 0.00 -0.26 0.00 0.00 57.72 57.32 1n5r n HIS 287 Cb 0.20 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.20 1n5r n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1n5r n VAL 288 N 0.54 0.00 -1.98 1.59 0.24 -1.23 -5.00 118.33 112.50 1n5r n VAL 288 Ca 0.14 -0.40 -0.41 0.00 -2.04 0.00 0.00 64.34 61.62 1n5r n VAL 288 Cb 0.49 1.17 -0.02 0.00 -1.47 0.00 0.00 33.84 34.01 1n5r n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1n5r s LEU 289 N -1.60 4.38 0.53 1.34 1.43 -1.26 -4.85 118.68 118.66 1n5r s LEU 289 Ca 0.11 2.77 0.29 0.00 -1.03 0.00 0.00 54.13 56.28 1n5r s LEU 289 Cb 0.10 -3.64 1.48 0.00 0.03 0.00 0.00 46.19 44.16 1n5r s LEU 289 CO 0.27 -0.71 2.07 1.55 0.23 0.00 0.00 176.35 179.75 1n5r h PRO 290 N 4.22 0.00 -4.17 1.29 0.13 -1.97 -3.45 132.00 128.05 1n5r h PRO 290 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 1n5r h PRO 290 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1n5r h PRO 290 CO 0.72 0.11 -0.43 -0.65 -0.23 0.00 0.00 178.00 177.52 1n5r s GLN 291 N -4.09 1.25 0.03 0.86 1.11 -1.26 -5.11 119.66 112.45 1n5r s GLN 291 Ca -0.02 -1.41 -0.30 0.00 0.01 0.00 0.00 55.36 53.64 1n5r s GLN 291 Cb 0.12 0.34 -0.05 0.00 -1.01 0.00 0.00 33.01 32.41 1n5r s GLN 291 CO 0.57 -0.45 1.25 -2.00 0.01 0.00 0.00 175.29 174.67 1n5r s GLU 292 N -4.07 4.38 0.29 2.91 2.12 -1.26 -4.96 118.70 118.12 1n5r s GLU 292 Ca 0.28 1.81 -0.19 0.00 0.36 0.00 0.00 54.97 57.23 1n5r s GLU 292 Cb 0.04 -3.42 0.06 0.00 0.26 0.00 0.00 34.13 31.07 1n5r s GLU 292 CO 0.07 -0.37 0.87 -1.54 -0.54 0.00 0.00 175.26 173.76 1n5r s SER 293 N 1.29 -0.04 0.17 -1.70 1.04 -1.26 -4.64 113.70 108.55 1n5r s SER 293 Ca 0.59 -0.87 0.03 0.00 0.48 0.00 0.00 55.95 56.18 1n5r s SER 293 Cb -0.29 0.70 -0.05 0.00 0.10 0.00 0.00 66.02 66.48 1n5r s SER 293 CO 0.27 -1.37 -0.05 0.27 0.98 0.00 0.00 173.24 173.34 1n5r s ILE 294 N -2.54 0.98 -1.44 -1.02 -4.36 -1.14 -4.82 121.20 106.84 1n5r s ILE 294 Ca 0.17 -2.02 -0.09 0.00 -0.26 0.00 0.00 60.65 58.45 1n5r s ILE 294 Cb -0.04 -2.00 0.05 0.00 1.25 0.00 0.00 42.46 41.72 1n5r s ILE 294 CO 0.08 -0.61 0.70 0.33 0.24 0.00 0.00 174.94 175.68 1n5r n PHE 295 N -0.24 -2.06 -4.11 1.37 -0.00 -1.26 -4.86 117.46 106.30 1n5r n PHE 295 Ca -0.09 0.63 -0.17 0.00 -0.00 0.00 0.00 57.45 57.83 1n5r n PHE 295 Cb 0.62 -3.90 -0.15 0.00 -0.00 0.00 0.00 39.48 36.05 1n5r n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 1n5r s ARG 296 N -6.06 0.46 -0.02 -4.13 6.06 -1.26 -4.73 118.95 109.28 1n5r s ARG 296 Ca 0.44 -0.12 0.05 0.00 -2.50 0.00 0.00 55.73 53.59 1n5r s ARG 296 Cb -0.21 -0.48 -0.01 0.00 0.06 0.00 0.00 34.95 34.30 1n5r s ARG 296 CO 0.54 0.03 -0.15 -0.06 -2.50 0.00 0.00 175.30 173.16 1n5r s PHE 297 N 0.25 1.40 0.11 5.12 0.08 -1.26 -5.07 117.98 118.62 1n5r s PHE 297 Ca -0.03 -0.29 -0.23 0.00 0.12 0.00 0.00 56.93 56.50 1n5r s PHE 297 Cb -0.06 -0.92 -0.08 0.00 -0.57 0.00 0.00 43.02 41.39 1n5r s PHE 297 CO -0.00 -0.05 1.69 0.77 -0.10 0.00 0.00 175.22 177.53 1n5r h SER 298 N 5.86 -0.34 -3.83 1.36 0.02 -1.89 -3.40 113.55 111.33 1n5r h SER 298 Ca -0.35 0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 59.99 1n5r h SER 298 Cb 1.16 0.15 -0.38 0.00 0.14 0.00 0.00 62.40 63.47 1n5r h SER 298 CO 0.49 -0.17 -0.79 -0.36 -1.14 0.00 0.00 176.83 174.86 1n5r s PHE 299 N -6.15 3.30 0.34 3.45 0.08 -1.26 -5.00 117.98 112.74 1n5r s PHE 299 Ca -0.14 -2.41 0.04 0.00 0.12 0.00 0.00 56.93 54.54 1n5r s PHE 299 Cb 0.08 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1n5r s PHE 299 CO 0.67 -0.89 0.17 0.14 -0.10 0.00 0.00 175.22 175.21 1n5r s VAL 300 N 1.09 0.35 0.40 -0.44 -7.23 -1.26 -4.52 120.40 108.78 1n5r s VAL 300 Ca -0.06 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.87 1n5r s VAL 300 Cb -0.20 -2.46 -0.11 0.00 0.56 0.00 0.00 36.38 34.17 1n5r s VAL 300 CO -0.06 0.00 0.98 -2.65 -0.31 0.00 0.00 175.10 173.06 1n5r n PRO 301 N -0.70 1.31 -4.91 4.82 -0.02 -1.24 -4.74 135.00 129.51 1n5r n PRO 301 Ca 0.00 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.62 1n5r n PRO 301 Cb 0.64 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 1n5r n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n5r s VAL 302 N -1.25 2.98 -0.73 -1.45 0.11 -1.26 -1.99 120.40 116.81 1n5r s VAL 302 Ca 0.62 -0.75 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 1n5r s VAL 302 Cb -0.59 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1n5r s VAL 302 CO 0.58 0.58 1.62 -0.69 -3.33 0.00 0.00 175.10 173.86 1n5r s VAL 303 N -0.61 3.55 -0.97 2.04 1.01 -0.55 -4.69 120.40 120.18 1n5r s VAL 303 Ca 0.09 0.11 0.22 0.00 0.00 0.00 0.00 61.98 62.39 1n5r s VAL 303 Cb -0.11 -4.41 -0.20 0.00 0.00 0.00 0.00 36.38 31.65 1n5r s VAL 303 CO 0.01 -1.36 0.96 -0.90 0.00 0.00 0.00 175.10 173.81 1n5r n ASP 304 N 11.30 0.91 0.00 3.32 5.75 -1.24 -3.68 116.55 132.91 1n5r n ASP 304 Ca 0.18 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1n5r n ASP 304 Cb 0.50 0.92 0.00 0.00 -1.03 0.00 0.00 41.12 41.52 1n5r n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n5r n GLY 305 N 1.49 0.44 0.00 6.12 0.00 0.61 -4.86 105.19 108.99 1n5r n GLY 305 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1n5r n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n5r n ASP 306 N -0.12 0.00 -0.12 1.61 2.03 -1.26 -4.55 116.55 114.14 1n5r n ASP 306 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1n5r n ASP 306 Cb 0.06 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.48 1n5r n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1n5r h PHE 307 N 0.00 0.29 -3.47 -0.67 3.04 -1.92 -3.30 116.94 110.91 1n5r h PHE 307 Ca 0.00 0.02 -0.71 0.00 3.98 0.00 0.00 57.97 61.26 1n5r h PHE 307 Cb 0.00 -0.07 -0.31 0.00 2.56 0.00 0.00 35.95 38.13 1n5r h PHE 307 CO 0.00 0.13 -0.51 -0.51 -2.02 0.00 0.00 178.31 175.40 1n5r s LEU 308 N -10.30 5.14 0.61 0.59 1.43 -1.26 -4.55 118.68 110.34 1n5r s LEU 308 Ca -0.13 -1.72 0.40 0.00 -1.03 0.00 0.00 54.13 51.65 1n5r s LEU 308 Cb 0.12 -1.91 2.01 0.00 0.03 0.00 0.00 46.19 46.45 1n5r s LEU 308 CO 0.72 -0.54 2.21 0.77 0.23 0.00 0.00 176.35 179.74 1n5r h SER 309 N 8.25 0.00 -3.04 2.29 4.64 -1.80 0.17 113.55 124.07 1n5r h SER 309 Ca -0.19 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.07 1n5r h SER 309 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1n5r h SER 309 CO 0.73 0.00 0.22 -0.67 -0.87 0.00 0.00 176.83 176.24 1n5r n ASP 310 N -3.05 -2.14 -4.73 4.97 -0.08 -1.26 -4.51 116.55 105.76 1n5r n ASP 310 Ca -0.02 -2.58 -0.35 0.00 -1.51 0.00 0.00 54.79 50.33 1n5r n ASP 310 Cb 0.15 3.60 0.08 0.00 2.34 0.00 0.00 41.12 47.28 1n5r n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1n5r s THR 311 N -2.20 2.35 0.34 5.18 -4.23 -1.26 -4.80 115.64 111.02 1n5r s THR 311 Ca 0.17 0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1n5r s THR 311 Cb -0.04 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.20 1n5r s THR 311 CO 0.13 -0.08 1.97 -0.65 -0.54 0.00 0.00 174.62 175.45 1n5r h PRO 312 N 0.10 0.84 -0.21 3.99 0.11 -1.98 -1.42 132.00 133.42 1n5r h PRO 312 Ca -0.49 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.62 1n5r h PRO 312 Cb 1.30 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1n5r h PRO 312 CO 0.51 0.55 -0.08 1.49 -0.21 0.00 0.00 178.00 180.27 1n5r h GLU 313 N 0.86 -0.04 -0.47 1.05 4.57 -1.90 0.02 114.58 118.67 1n5r h GLU 313 Ca 0.29 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.40 1n5r h GLU 313 Cb 0.08 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1n5r h GLU 313 CO -0.08 -0.03 0.03 0.00 -1.18 0.00 0.00 179.01 177.75 1n5r h ALA 314 N 1.15 0.63 -0.39 2.92 0.00 -1.77 -2.75 119.26 119.06 1n5r h ALA 314 Ca 0.11 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1n5r h ALA 314 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n5r h ALA 314 CO -0.24 0.41 -0.04 -0.07 0.00 0.00 0.00 179.25 179.31 1n5r h LEU 315 N 0.67 0.61 -0.18 0.00 3.38 -0.86 -2.08 115.31 116.85 1n5r h LEU 315 Ca 0.14 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n5r h LEU 315 Cb 0.46 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n5r h LEU 315 CO 0.02 0.71 0.00 0.16 0.09 0.00 0.00 178.44 179.41 1n5r h ILE 316 N 0.60 0.00 0.03 1.22 3.07 -0.96 -1.03 117.51 120.44 1n5r h ILE 316 Ca 0.12 -0.89 -0.22 0.00 1.55 0.00 0.00 64.86 65.42 1n5r h ILE 316 Cb 0.44 1.89 -0.02 0.00 -0.27 0.00 0.00 36.82 38.85 1n5r h ILE 316 CO 0.02 0.00 -1.03 0.78 -1.05 0.00 0.00 178.15 176.87 1n5r h ASN 317 N 0.00 0.10 -0.01 2.16 2.35 -1.12 -3.36 115.58 115.70 1n5r h ASN 317 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1n5r h ASN 317 Cb 0.91 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.25 1n5r h ASN 317 CO 0.00 1.06 -0.16 0.35 -1.65 0.00 0.00 177.43 177.03 1n5r n THR 318 N -3.41 0.00 -1.93 2.81 -2.24 -0.83 -5.03 114.28 103.65 1n5r n THR 318 Ca -0.02 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 1n5r n THR 318 Cb 0.94 1.20 0.02 0.00 -2.10 0.00 0.00 70.33 70.38 1n5r n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1n5r s GLY 319 N -1.39 1.91 -0.31 3.38 0.00 -0.39 -5.03 107.32 105.48 1n5r s GLY 319 Ca 0.12 0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.96 1n5r s GLY 319 CO 0.26 0.50 0.12 -0.35 0.00 0.00 0.00 173.10 173.62 1n5r s ASP 320 N -3.32 5.32 -0.30 1.64 2.15 -1.26 -4.87 116.67 116.03 1n5r s ASP 320 Ca 0.60 -0.76 0.08 0.00 0.43 0.00 0.00 52.55 52.90 1n5r s ASP 320 Cb -0.14 -1.92 0.47 0.00 -0.30 0.00 0.00 42.92 41.03 1n5r s ASP 320 CO 0.44 -0.24 1.39 0.49 -0.17 0.00 0.00 175.17 177.08 1n5r n PHE 321 N 4.90 1.37 -0.12 -5.34 3.72 -0.44 -4.85 117.46 116.70 1n5r n PHE 321 Ca -0.14 -1.83 -0.05 0.00 -0.05 0.00 0.00 57.45 55.38 1n5r n PHE 321 Cb 0.47 -0.47 0.01 0.00 -0.94 0.00 0.00 39.48 38.56 1n5r n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1n5r h GLN 322 N 1.34 -0.01 -1.98 -1.08 4.20 -1.71 -2.28 115.11 113.60 1n5r h GLN 322 Ca 0.23 0.00 -0.76 0.00 0.06 0.00 0.00 58.65 58.18 1n5r h GLN 322 Cb 1.42 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.93 1n5r h GLN 322 CO 0.47 -0.01 1.02 -0.25 -0.67 0.00 0.00 178.83 179.40 1n5r n ASP 323 N -5.31 7.47 -3.97 1.46 8.00 -1.26 -4.56 116.55 118.38 1n5r n ASP 323 Ca 0.02 -3.84 -0.19 0.00 0.71 0.00 0.00 54.79 51.49 1n5r n ASP 323 Cb 0.22 -1.05 -0.15 0.00 -0.02 0.00 0.00 41.12 40.12 1n5r n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1n5r s LEU 324 N -4.06 1.72 -0.09 0.64 2.96 -1.14 -5.00 118.68 113.71 1n5r s LEU 324 Ca 0.52 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1n5r s LEU 324 Cb 0.44 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.64 1n5r s LEU 324 CO -0.41 0.04 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.47 1n5r s GLN 325 N 0.29 2.94 -0.01 1.98 1.11 -1.26 -1.35 119.66 123.37 1n5r s GLN 325 Ca -0.04 -0.60 0.02 0.00 0.01 0.00 0.00 55.36 54.75 1n5r s GLN 325 Cb -0.09 -2.60 -0.00 0.00 -1.01 0.00 0.00 33.01 29.31 1n5r s GLN 325 CO 0.00 0.52 -0.05 0.08 0.01 0.00 0.00 175.29 175.85 1n5r s VAL 326 N -0.43 0.45 -0.16 1.09 1.01 0.94 -2.58 120.40 120.72 1n5r s VAL 326 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1n5r s VAL 326 Cb -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1n5r s VAL 326 CO 0.02 0.14 -0.12 -0.22 0.00 0.00 0.00 175.10 174.91 1n5r s LEU 327 N -0.00 2.65 0.05 3.92 2.96 -0.33 -0.91 118.68 127.01 1n5r s LEU 327 Ca 0.00 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1n5r s LEU 327 Cb -0.04 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1n5r s LEU 327 CO -0.00 0.10 -0.06 0.68 -1.32 0.00 0.00 176.35 175.75 1n5r s VAL 328 N 0.74 0.44 0.10 1.68 -7.23 0.25 -0.88 120.40 115.49 1n5r s VAL 328 Ca -0.05 -1.29 -0.26 0.00 -1.81 0.00 0.00 61.98 58.57 1n5r s VAL 328 Cb -0.15 -0.85 0.09 0.00 0.56 0.00 0.00 36.38 36.03 1n5r s VAL 328 CO 0.01 -0.58 1.13 -0.83 -0.31 0.00 0.00 175.10 174.52 1n5r s GLY 329 N -2.00 -0.11 0.21 2.32 0.00 -1.06 -1.56 107.32 105.13 1n5r s GLY 329 Ca -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.70 1n5r s GLY 329 CO -0.02 2.18 0.11 -1.34 0.00 0.00 0.00 173.10 174.03 1n5r s VAL 330 N -2.40 0.20 0.33 1.40 -7.23 -0.94 -0.60 120.40 111.16 1n5r s VAL 330 Ca 0.20 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1n5r s VAL 330 Cb -0.00 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 1n5r s VAL 330 CO 0.02 -0.03 0.36 0.68 -0.31 0.00 0.00 175.10 175.81 1n5r s VAL 331 N -4.01 3.77 0.52 1.32 -7.23 -1.26 -0.32 120.40 113.18 1n5r s VAL 331 Ca 0.38 -1.22 0.21 0.00 -1.81 0.00 0.00 61.98 59.53 1n5r s VAL 331 Cb 0.07 -3.28 0.28 0.00 0.56 0.00 0.00 36.38 34.01 1n5r s VAL 331 CO 0.12 -0.17 2.14 0.50 -0.31 0.00 0.00 175.10 177.38 1n5r h LYS 332 N 1.11 0.00 -2.07 4.82 3.64 -1.06 -3.31 116.57 119.69 1n5r h LYS 332 Ca -0.45 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.39 1n5r h LYS 332 Cb 1.25 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.67 1n5r h LYS 332 CO 0.56 0.05 -0.99 -0.25 -2.27 0.00 0.00 179.45 176.55 1n5r n ASP 333 N -4.22 1.61 -0.30 4.20 9.92 -0.39 -4.90 116.55 122.47 1n5r n ASP 333 Ca -0.03 -3.07 0.20 0.00 -0.53 0.00 0.00 54.79 51.36 1n5r n ASP 333 Cb 0.13 -0.63 0.48 0.00 -0.64 0.00 0.00 41.12 40.46 1n5r n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1n5r h GLU 334 N 3.52 0.45 0.00 -1.24 4.39 -1.75 -2.99 114.58 116.96 1n5r h GLU 334 Ca 0.11 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1n5r h GLU 334 Cb 0.82 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1n5r h GLU 334 CO 0.59 0.30 -0.90 0.41 -1.16 0.00 0.00 179.01 178.25 1n5r n GLY 335 N -1.46 -1.21 0.25 -3.84 0.00 -1.25 -4.27 105.19 93.40 1n5r n GLY 335 Ca 0.23 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1n5r n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n5r h SER 336 N 0.00 -0.66 -0.74 1.61 4.64 -1.74 -2.83 113.55 113.83 1n5r h SER 336 Ca 0.00 0.13 0.14 0.00 -0.47 0.00 0.00 61.79 61.59 1n5r h SER 336 Cb 0.66 0.33 -0.14 0.00 -0.31 0.00 0.00 62.40 62.94 1n5r h SER 336 CO 0.00 -0.24 -0.27 0.22 -0.87 0.00 0.00 176.83 175.67 1n5r h TYR 337 N -0.19 -0.68 0.00 4.77 3.20 -1.80 -1.87 116.97 120.40 1n5r h TYR 337 Ca 0.15 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1n5r h TYR 337 Cb 0.41 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1n5r h TYR 337 CO -0.38 -0.36 -0.05 0.74 -1.64 0.00 0.00 178.16 176.47 1n5r h PHE 338 N -0.06 0.00 -0.50 -3.82 -1.00 -1.79 -3.18 116.94 106.59 1n5r h PHE 338 Ca 0.32 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.05 1n5r h PHE 338 Cb 0.57 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 1n5r h PHE 338 CO -0.66 0.05 0.12 -0.07 -1.61 0.00 0.00 178.31 176.14 1n5r h LEU 339 N 0.00 0.71 0.00 1.54 3.38 -1.36 -2.47 115.31 117.12 1n5r h LEU 339 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1n5r h LEU 339 Cb 0.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1n5r h LEU 339 CO 0.01 0.70 0.00 1.33 0.09 0.00 0.00 178.44 180.57 1n5r n VAL 340 N -4.29 0.37 -0.98 1.22 0.24 -1.20 -1.74 118.33 111.95 1n5r n VAL 340 Ca 0.04 0.09 -0.17 0.00 -2.04 0.00 0.00 64.34 62.26 1n5r n VAL 340 Cb 0.22 -0.74 0.20 0.00 -1.47 0.00 0.00 33.84 32.05 1n5r n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1n5r n TYR 341 N -1.30 2.65 0.00 6.34 4.02 -0.93 -4.74 117.16 123.20 1n5r n TYR 341 Ca 0.10 -1.55 0.00 0.00 -0.01 0.00 0.00 57.90 56.44 1n5r n TYR 341 Cb 0.18 -0.82 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 1n5r n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n5r n GLY 342 N -0.73 -0.09 3.54 2.72 0.00 -1.20 -4.92 105.19 104.50 1n5r n GLY 342 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.11 1n5r n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n5r s VAL 343 N 0.00 5.23 0.13 1.61 1.01 -0.71 -4.99 120.40 122.67 1n5r s VAL 343 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 61.98 61.57 1n5r s VAL 343 Cb 0.00 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 1n5r s VAL 343 CO 0.00 -0.04 1.54 -2.65 0.00 0.00 0.00 175.10 173.95 1n5r n PRO 344 N 5.24 1.90 0.00 2.72 -0.02 -1.26 -1.79 135.00 141.79 1n5r n PRO 344 Ca -0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1n5r n PRO 344 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1n5r n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n5r n GLY 345 N 3.25 2.47 3.84 -1.23 0.00 -1.26 -4.94 105.19 107.32 1n5r n GLY 345 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1n5r n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n5r s PHE 346 N -2.45 3.50 -0.05 1.61 0.40 -0.74 -4.59 117.98 115.66 1n5r s PHE 346 Ca 0.00 0.44 -0.27 0.00 -0.60 0.00 0.00 56.93 56.50 1n5r s PHE 346 Cb 0.00 -1.89 0.06 0.00 0.51 0.00 0.00 43.02 41.70 1n5r s PHE 346 CO 0.00 0.67 0.59 0.45 0.70 0.00 0.00 175.22 177.64 1n5r s SER 347 N -1.10 -0.55 0.21 1.36 0.15 -1.26 -4.69 113.70 107.81 1n5r s SER 347 Ca 0.16 0.59 0.26 0.00 0.70 0.00 0.00 55.95 57.65 1n5r s SER 347 Cb -0.12 0.50 0.86 0.00 -1.71 0.00 0.00 66.02 65.56 1n5r s SER 347 CO 0.05 -0.56 1.77 2.29 1.20 0.00 0.00 173.24 177.99 1n5r n LYS 348 N 1.03 0.23 0.00 5.44 2.85 -1.26 -3.69 118.16 122.76 1n5r n LYS 348 Ca -0.19 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.43 1n5r n LYS 348 Cb 0.57 -1.80 0.30 0.00 -0.65 0.00 0.00 35.03 33.45 1n5r n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1n5r n ASP 349 N -2.21 0.91 -3.00 -5.58 8.00 -1.26 -4.36 116.55 109.04 1n5r n ASP 349 Ca 0.05 -0.72 -0.17 0.00 0.71 0.00 0.00 54.79 54.65 1n5r n ASP 349 Cb 0.39 0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 1n5r n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1n5r n ASN 350 N -0.92 -0.09 0.24 -2.24 0.23 -1.24 -5.04 115.26 106.20 1n5r n ASN 350 Ca 0.10 -2.79 0.16 0.00 -0.53 0.00 0.00 54.58 51.52 1n5r n ASN 350 Cb 0.35 1.23 0.75 0.00 -2.08 0.00 0.00 39.78 40.02 1n5r n ASN 350 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1n5r h GLU 351 N 0.00 0.00 -5.48 -3.83 4.39 -1.92 -3.44 114.58 104.30 1n5r h GLU 351 Ca -0.21 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.08 1n5r h GLU 351 Cb 0.99 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.72 1n5r h GLU 351 CO 0.32 0.00 -0.66 0.43 -1.16 0.00 0.00 179.01 177.93 1n5r n SER 352 N -2.75 -6.06 -4.68 1.42 7.64 -1.26 -4.92 113.62 103.02 1n5r n SER 352 Ca -0.00 -0.49 -0.42 0.00 1.01 0.00 0.00 58.87 58.97 1n5r n SER 352 Cb 0.19 -4.81 -0.03 0.00 -1.01 0.00 0.00 64.21 58.55 1n5r n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n5r s LEU 353 N -7.10 4.26 0.37 -3.43 1.43 -1.26 -4.74 118.68 108.21 1n5r s LEU 353 Ca 0.51 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.52 1n5r s LEU 353 Cb -0.23 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1n5r s LEU 353 CO 0.63 -0.65 0.17 0.27 0.23 0.00 0.00 176.35 177.00 1n5r s ILE 354 N 2.56 2.78 0.47 -0.59 -4.36 -1.24 -5.01 121.20 115.82 1n5r s ILE 354 Ca 0.57 -1.68 -0.01 0.00 -0.26 0.00 0.00 60.65 59.28 1n5r s ILE 354 Cb -0.25 -2.98 -0.00 0.00 1.25 0.00 0.00 42.46 40.48 1n5r s ILE 354 CO 0.21 -0.12 0.71 -0.94 0.24 0.00 0.00 174.94 175.04 1n5r s SER 355 N -3.88 5.78 0.33 4.36 1.04 -1.26 -4.02 113.70 116.05 1n5r s SER 355 Ca 0.39 0.34 0.04 0.00 0.48 0.00 0.00 55.95 57.20 1n5r s SER 355 Cb -0.01 -1.54 0.59 0.00 0.10 0.00 0.00 66.02 65.17 1n5r s SER 355 CO 0.23 -0.77 1.85 -0.09 0.98 0.00 0.00 173.24 175.45 1n5r h ARG 356 N 0.31 0.50 -0.60 4.02 2.43 -1.89 -1.07 114.38 118.08 1n5r h ARG 356 Ca -0.46 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.50 1n5r h ARG 356 Cb 1.25 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1n5r h ARG 356 CO 0.58 0.56 0.02 0.00 -1.51 0.00 0.00 179.97 179.61 1n5r h ALA 357 N 1.48 0.89 -0.16 2.80 0.00 -1.98 -1.64 119.26 120.65 1n5r h ALA 357 Ca 0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1n5r h ALA 357 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n5r h ALA 357 CO 0.02 0.66 -0.08 1.96 0.00 0.00 0.00 179.25 181.81 1n5r h GLN 358 N 0.96 0.25 -0.06 0.00 4.20 -1.74 -2.22 115.11 116.49 1n5r h GLN 358 Ca 0.17 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1n5r h GLN 358 Cb 0.53 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1n5r h GLN 358 CO 0.03 0.34 -0.02 0.35 -0.67 0.00 0.00 178.83 178.86 1n5r h PHE 359 N 0.24 0.14 -0.02 2.96 -0.00 -0.43 0.19 116.94 120.02 1n5r h PHE 359 Ca 0.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.95 1n5r h PHE 359 Cb 0.30 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 36.21 1n5r h PHE 359 CO 0.00 0.47 -0.17 -0.07 -0.00 0.00 0.00 178.31 178.55 1n5r h LEU 360 N -0.24 0.03 -0.08 0.59 3.38 -1.03 -1.29 115.31 116.67 1n5r h LEU 360 Ca 0.01 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.73 1n5r h LEU 360 Cb 0.43 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1n5r h LEU 360 CO 0.01 0.20 -0.97 0.00 0.09 0.00 0.00 178.44 177.77 1n5r h ALA 361 N 1.81 0.23 -0.81 1.53 0.00 -1.28 -3.09 119.26 117.65 1n5r h ALA 361 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1n5r h ALA 361 Cb 0.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1n5r h ALA 361 CO 0.02 0.72 0.34 0.78 0.00 0.00 0.00 179.25 181.12 1n5r h GLY 362 N 0.67 1.29 1.28 0.00 0.00 -0.33 -2.76 103.07 103.21 1n5r h GLY 362 Ca -0.10 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 1n5r h GLY 362 CO 0.19 0.64 0.42 -2.08 0.00 0.00 0.00 176.54 175.71 1n5r h VAL 363 N 1.17 1.20 0.00 4.60 2.07 -1.24 0.52 116.25 124.57 1n5r h VAL 363 Ca 0.27 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1n5r h VAL 363 Cb 0.19 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1n5r h VAL 363 CO -0.03 0.21 -0.31 0.03 0.02 0.00 0.00 177.57 177.49 1n5r h ARG 364 N 0.97 0.00 0.15 1.57 2.47 -1.41 0.68 114.38 118.81 1n5r h ARG 364 Ca 0.25 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.65 1n5r h ARG 364 Cb -0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1n5r h ARG 364 CO -0.05 0.31 -1.59 0.82 0.56 0.00 0.00 179.97 180.02 1n5r h ILE 365 N 0.00 1.10 0.00 2.04 2.04 -1.07 -3.03 117.51 118.59 1n5r h ILE 365 Ca -0.00 -2.70 -0.09 0.00 1.00 0.00 0.00 64.86 63.06 1n5r h ILE 365 Cb 0.66 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1n5r h ILE 365 CO 0.04 0.83 -0.45 1.23 0.00 0.00 0.00 178.15 179.80 1n5r h GLY 366 N 1.25 0.00 -5.86 5.37 0.00 0.19 -3.03 103.07 100.99 1n5r h GLY 366 Ca -0.27 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.50 1n5r h GLY 366 CO 0.18 0.00 -0.91 -0.62 0.00 0.00 0.00 176.54 175.18 1n5r n VAL 367 N -3.48 1.03 -0.14 4.60 0.31 0.21 -4.88 118.33 115.98 1n5r n VAL 367 Ca 0.00 -4.83 0.27 0.00 -0.01 0.00 0.00 64.34 59.78 1n5r n VAL 367 Cb 0.58 -1.34 0.72 0.00 -0.91 0.00 0.00 33.84 32.90 1n5r n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1n5r h PRO 368 N 3.48 0.00 -0.11 5.55 0.13 -1.61 -0.52 132.00 138.92 1n5r h PRO 368 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1n5r h PRO 368 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1n5r h PRO 368 CO 0.64 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.45 1n5r n GLN 369 N -4.23 1.67 -2.75 0.86 3.00 -1.26 -4.92 117.38 109.76 1n5r n GLN 369 Ca 0.17 -0.99 -0.41 0.00 -0.01 0.00 0.00 57.00 55.76 1n5r n GLN 369 Cb 0.91 -1.42 -0.04 0.00 0.00 0.00 0.00 30.24 29.69 1n5r n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1n5r s ALA 370 N -1.87 3.24 1.15 -1.58 0.00 -0.20 -5.06 121.76 117.44 1n5r s ALA 370 Ca 0.34 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1n5r s ALA 370 Cb 0.18 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 20.30 1n5r s ALA 370 CO 0.29 -0.06 1.12 -1.54 0.00 0.00 0.00 175.76 175.57 1n5r s SER 371 N 0.20 1.35 0.23 0.00 1.04 -1.26 -4.69 113.70 110.57 1n5r s SER 371 Ca 0.47 0.68 -0.03 0.00 0.48 0.00 0.00 55.95 57.55 1n5r s SER 371 Cb -0.23 -0.97 0.24 0.00 0.10 0.00 0.00 66.02 65.17 1n5r s SER 371 CO 0.29 -3.86 1.69 0.44 0.98 0.00 0.00 173.24 172.77 1n5r h ASP 372 N -2.40 0.79 -0.24 7.02 3.32 -1.99 -0.39 116.42 122.52 1n5r h ASP 372 Ca -0.46 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.30 1n5r h ASP 372 Cb 1.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1n5r h ASP 372 CO 0.38 0.92 -0.03 0.25 -1.72 0.00 0.00 179.24 179.05 1n5r h LEU 373 N 0.72 0.45 -0.75 1.55 5.85 -1.99 -1.11 115.31 120.02 1n5r h LEU 373 Ca 0.12 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1n5r h LEU 373 Cb 0.60 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1n5r h LEU 373 CO 0.04 0.68 0.43 0.00 -0.34 0.00 0.00 178.44 179.25 1n5r h ALA 374 N 0.78 0.96 -0.70 1.25 0.00 -1.88 -0.29 119.26 119.39 1n5r h ALA 374 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1n5r h ALA 374 Cb 0.46 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1n5r h ALA 374 CO 0.02 0.45 0.25 0.00 0.00 0.00 0.00 179.25 179.97 1n5r h ALA 375 N 1.23 0.91 -0.56 0.00 0.00 -0.94 -1.19 119.26 118.71 1n5r h ALA 375 Ca 0.27 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1n5r h ALA 375 Cb -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1n5r h ALA 375 CO -0.05 0.56 -0.02 1.49 0.00 0.00 0.00 179.25 181.23 1n5r h GLU 376 N 1.01 0.98 -0.87 0.00 4.57 -0.66 -0.78 114.58 118.83 1n5r h GLU 376 Ca 0.23 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1n5r h GLU 376 Cb 0.25 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1n5r h GLU 376 CO -0.01 0.97 0.58 0.00 -1.18 0.00 0.00 179.01 179.36 1n5r h ALA 377 N 1.08 1.11 -0.26 2.92 0.00 -0.50 0.49 119.26 124.10 1n5r h ALA 377 Ca 0.16 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n5r h ALA 377 Cb 0.54 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n5r h ALA 377 CO 0.03 0.50 0.16 0.28 0.00 0.00 0.00 179.25 180.22 1n5r h VAL 378 N 1.18 1.10 -0.47 0.00 2.07 -0.59 -0.11 116.25 119.42 1n5r h VAL 378 Ca 0.32 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.62 1n5r h VAL 378 Cb -0.13 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1n5r h VAL 378 CO -0.07 0.09 0.31 0.58 0.02 0.00 0.00 177.57 178.50 1n5r h VAL 379 N 0.33 1.11 -0.18 2.57 2.07 -0.49 -0.77 116.25 120.89 1n5r h VAL 379 Ca 0.09 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 1n5r h VAL 379 Cb 0.01 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1n5r h VAL 379 CO -0.02 0.11 -0.27 -0.07 0.02 0.00 0.00 177.57 177.35 1n5r h LEU 380 N 0.63 0.34 -0.29 2.57 3.38 -0.67 0.90 115.31 122.17 1n5r h LEU 380 Ca 0.17 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1n5r h LEU 380 Cb -0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1n5r h LEU 380 CO -0.04 0.61 -0.60 -0.74 0.09 0.00 0.00 178.44 177.75 1n5r h HIS 381 N 0.30 1.06 0.00 1.13 2.76 -0.58 -3.30 115.15 116.52 1n5r h HIS 381 Ca 0.05 -0.40 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 1n5r h HIS 381 Cb 0.64 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1n5r h HIS 381 CO 0.01 1.22 -0.74 1.88 -1.30 0.00 0.00 177.93 179.00 1n5r h TYR 382 N 0.62 0.00 -3.73 5.26 -1.99 -0.93 -3.46 116.97 112.73 1n5r h TYR 382 Ca -0.00 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.20 1n5r h TYR 382 Cb 1.21 0.00 0.06 0.00 2.00 0.00 0.00 36.73 40.00 1n5r h TYR 382 CO 0.07 0.00 0.67 0.99 -0.00 0.00 0.00 178.16 179.90 1n5r s THR 383 N -3.25 2.71 -0.57 -2.88 2.01 0.29 -4.92 115.64 109.04 1n5r s THR 383 Ca 0.03 0.68 -0.20 0.00 0.31 0.00 0.00 61.69 62.51 1n5r s THR 383 Cb 0.11 -3.43 0.08 0.00 0.01 0.00 0.00 72.50 69.27 1n5r s THR 383 CO 0.75 0.14 0.74 -0.62 -0.69 0.00 0.00 174.62 174.94 1n5r s ASP 384 N -0.21 6.21 0.00 3.53 -1.08 -1.26 -4.92 116.67 118.93 1n5r s ASP 384 Ca 0.52 -1.06 0.03 0.00 -0.52 0.00 0.00 52.55 51.52 1n5r s ASP 384 Cb -0.40 -2.33 0.16 0.00 -1.46 0.00 0.00 42.92 38.89 1n5r s ASP 384 CO 0.50 -1.09 1.03 0.79 0.52 0.00 0.00 175.17 176.91 1n5r n TRP 385 N 6.60 0.00 0.04 -5.34 7.02 -1.26 -0.73 117.44 123.77 1n5r n TRP 385 Ca -0.06 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.37 1n5r n TRP 385 Cb 0.44 -0.40 -0.10 0.00 -2.42 0.00 0.00 31.31 28.84 1n5r n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1n5r h LEU 386 N 0.00 0.00 -5.70 -0.99 3.38 -2.03 -3.38 115.31 106.58 1n5r h LEU 386 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1n5r h LEU 386 Cb 0.05 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.39 1n5r h LEU 386 CO 0.00 0.84 -1.15 1.41 0.09 0.00 0.00 178.44 179.63 1n5r n HIS 387 N -3.13 0.76 0.19 1.13 8.25 0.09 -4.98 115.22 117.53 1n5r n HIS 387 Ca -0.07 -3.60 0.11 0.00 -0.26 0.00 0.00 57.72 53.89 1n5r n HIS 387 Cb 0.92 -0.41 0.57 0.00 1.12 0.00 0.00 29.99 32.19 1n5r n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1n5r h PRO 388 N 2.99 0.00 -0.01 -0.41 0.13 -1.32 -2.34 132.00 131.04 1n5r h PRO 388 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1n5r h PRO 388 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1n5r h PRO 388 CO 0.53 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.69 1n5r n GLU 389 N -2.28 -0.16 -1.94 0.86 1.02 -1.26 -4.85 120.64 112.03 1n5r n GLU 389 Ca -0.01 -0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 55.90 1n5r n GLU 389 Cb 0.16 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.49 1n5r n GLU 389 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1n5r s ASP 390 N -0.35 6.62 0.19 1.62 2.15 -0.88 -4.75 116.67 121.27 1n5r s ASP 390 Ca 0.04 2.33 -0.11 0.00 0.43 0.00 0.00 52.55 55.24 1n5r s ASP 390 Cb 0.03 -2.53 0.21 0.00 -0.30 0.00 0.00 42.92 40.32 1n5r s ASP 390 CO 0.04 -0.95 1.76 1.55 -0.17 0.00 0.00 175.17 177.40 1n5r h PRO 391 N 9.72 0.40 -0.47 4.34 0.13 -1.92 -0.77 132.00 143.44 1n5r h PRO 391 Ca -0.41 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1n5r h PRO 391 Cb 1.19 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1n5r h PRO 391 CO 0.95 0.27 0.31 1.15 -0.23 0.00 0.00 178.00 180.45 1n5r h THR 392 N 0.41 1.12 -0.44 1.56 2.02 -1.91 -0.55 112.91 115.13 1n5r h THR 392 Ca 0.27 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1n5r h THR 392 Cb 0.28 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1n5r h THR 392 CO -0.25 0.12 0.05 0.45 0.37 0.00 0.00 175.52 176.26 1n5r h HIS 393 N 0.63 0.79 -0.73 3.16 3.86 -1.83 -1.74 115.15 119.29 1n5r h HIS 393 Ca 0.17 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1n5r h HIS 393 Cb -0.07 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.16 1n5r h HIS 393 CO -0.04 0.76 0.32 -0.07 0.86 0.00 0.00 177.93 179.76 1n5r h LEU 394 N 0.59 0.96 0.10 2.43 3.38 -0.90 0.13 115.31 121.99 1n5r h LEU 394 Ca 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n5r h LEU 394 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1n5r h LEU 394 CO 0.01 0.83 -0.05 -0.09 0.09 0.00 0.00 178.44 179.24 1n5r h ARG 395 N 1.04 -0.12 0.00 1.13 1.12 -0.93 -1.23 114.38 115.39 1n5r h ARG 395 Ca 0.25 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.08 1n5r h ARG 395 Cb 0.15 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 1n5r h ARG 395 CO -0.03 0.15 -0.21 -0.44 -3.11 0.00 0.00 179.97 176.33 1n5r h ASP 396 N -0.40 0.00 -0.18 -3.80 3.32 -1.16 -2.31 116.42 111.89 1n5r h ASP 396 Ca -0.01 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.84 1n5r h ASP 396 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1n5r h ASP 396 CO 0.02 0.21 -0.66 0.00 -1.72 0.00 0.00 179.24 177.09 1n5r h ALA 397 N 1.79 0.42 -0.60 3.45 0.00 -0.53 -1.58 119.26 122.21 1n5r h ALA 397 Ca -0.00 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.36 1n5r h ALA 397 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1n5r h ALA 397 CO 0.03 0.69 0.40 1.98 0.00 0.00 0.00 179.25 182.34 1n5r h MET 398 N 0.58 0.80 -0.08 0.00 1.85 -0.84 0.14 114.93 117.37 1n5r h MET 398 Ca -0.02 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 1n5r h MET 398 Cb 1.27 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 33.12 1n5r h MET 398 CO 0.14 0.53 0.05 1.03 -0.40 0.00 0.00 176.91 178.26 1n5r h SER 399 N 0.82 0.10 -0.71 1.39 0.87 -1.32 -2.54 113.55 112.16 1n5r h SER 399 Ca 0.22 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1n5r h SER 399 Cb -0.09 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1n5r h SER 399 CO -0.05 0.10 0.45 0.00 -0.53 0.00 0.00 176.83 176.80 1n5r h ALA 400 N 1.00 0.93 -0.30 6.23 0.00 -0.77 -0.85 119.26 125.50 1n5r h ALA 400 Ca 0.03 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1n5r h ALA 400 Cb 0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1n5r h ALA 400 CO -0.01 0.22 0.06 0.28 0.00 0.00 0.00 179.25 179.81 1n5r h VAL 401 N 0.87 0.85 -0.38 0.00 2.07 -0.58 0.88 116.25 119.97 1n5r h VAL 401 Ca 0.29 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 1n5r h VAL 401 Cb 0.02 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1n5r h VAL 401 CO -0.11 0.03 -0.03 0.58 0.02 0.00 0.00 177.57 178.06 1n5r h VAL 402 N 0.17 1.27 -0.17 2.57 2.07 -1.02 -1.82 116.25 119.31 1n5r h VAL 402 Ca 0.14 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 1n5r h VAL 402 Cb 0.15 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1n5r h VAL 402 CO -0.19 0.35 -0.41 1.23 0.02 0.00 0.00 177.57 178.58 1n5r h GLY 403 N 0.50 0.43 0.42 2.17 0.00 -0.95 -2.23 103.07 103.41 1n5r h GLY 403 Ca 0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1n5r h GLY 403 CO 0.03 0.38 -0.03 -0.55 0.00 0.00 0.00 176.54 176.36 1n5r h ASP 404 N 0.33 0.05 -0.54 0.19 3.32 -0.77 0.23 116.42 119.23 1n5r h ASP 404 Ca 0.03 -0.61 0.03 0.00 0.02 0.00 0.00 57.03 56.50 1n5r h ASP 404 Cb 0.86 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 1n5r h ASP 404 CO 0.07 0.65 0.31 -0.74 -1.72 0.00 0.00 179.24 177.81 1n5r h HIS 405 N -0.55 0.57 0.05 4.55 2.76 -1.39 -0.65 115.15 120.49 1n5r h HIS 405 Ca -0.00 0.02 -0.30 0.00 -2.20 0.00 0.00 60.37 57.89 1n5r h HIS 405 Cb 0.65 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1n5r h HIS 405 CO 0.14 0.31 -1.66 -0.91 -1.30 0.00 0.00 177.93 174.51 1n5r h ASN 406 N 0.61 0.15 0.00 3.26 2.35 -1.45 -3.42 115.58 117.08 1n5r h ASN 406 Ca 0.22 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1n5r h ASN 406 Cb 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1n5r h ASN 406 CO -0.12 1.25 0.00 0.52 -1.65 0.00 0.00 177.43 177.44 1n5r n VAL 407 N -3.23 0.40 -0.04 2.81 0.31 -0.07 -4.68 118.33 113.82 1n5r n VAL 407 Ca -0.18 0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.20 1n5r n VAL 407 Cb 1.04 -0.99 -0.02 0.00 -0.91 0.00 0.00 33.84 32.96 1n5r n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1n5r h VAL 408 N 0.00 0.43 -0.34 2.52 2.07 -1.24 0.32 116.25 120.01 1n5r h VAL 408 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1n5r h VAL 408 Cb 0.00 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1n5r h VAL 408 CO 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.22 1n5r h PRO 410 N 0.66 0.42 -0.46 0.00 0.11 -1.56 0.11 132.00 131.26 1n5r h PRO 410 Ca 0.06 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 1n5r h PRO 410 Cb 0.93 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1n5r h PRO 410 CO 0.09 0.45 -0.25 0.28 -0.21 0.00 0.00 178.00 178.36 1n5r h VAL 411 N 0.41 1.27 -0.54 3.15 2.07 0.13 -0.86 116.25 121.88 1n5r h VAL 411 Ca 0.09 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1n5r h VAL 411 Cb 0.28 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1n5r h VAL 411 CO 0.01 0.49 0.27 0.00 0.02 0.00 0.00 177.57 178.36 1n5r h ALA 412 N 0.85 0.69 0.11 1.67 0.00 -0.40 0.64 119.26 122.82 1n5r h ALA 412 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1n5r h ALA 412 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1n5r h ALA 412 CO 0.07 0.24 -0.15 0.37 0.00 0.00 0.00 179.25 179.78 1n5r h GLN 413 N 0.72 -0.29 -0.27 0.00 5.75 -0.86 -1.35 115.11 118.81 1n5r h GLN 413 Ca 0.19 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1n5r h GLN 413 Cb 0.09 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1n5r h GLN 413 CO -0.03 -0.19 0.16 1.25 -2.65 0.00 0.00 178.83 177.37 1n5r h LEU 414 N -0.30 0.32 -0.54 -2.39 5.85 -0.84 -2.00 115.31 115.40 1n5r h LEU 414 Ca 0.01 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1n5r h LEU 414 Cb 0.30 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1n5r h LEU 414 CO -0.06 0.27 0.23 0.00 -0.34 0.00 0.00 178.44 178.54 1n5r h ALA 415 N 1.06 0.69 -0.32 1.25 0.00 -0.69 -0.80 119.26 120.44 1n5r h ALA 415 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1n5r h ALA 415 Cb 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1n5r h ALA 415 CO -0.02 -0.15 0.19 0.78 0.00 0.00 0.00 179.25 180.04 1n5r h GLY 416 N 0.44 0.48 0.98 0.00 0.00 -1.04 -1.34 103.07 102.58 1n5r h GLY 416 Ca 0.26 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1n5r h GLY 416 CO -0.23 0.20 -0.15 3.21 0.00 0.00 0.00 176.54 179.57 1n5r h ARG 417 N 0.41 0.76 -0.61 4.80 2.47 -1.03 -0.46 114.38 120.72 1n5r h ARG 417 Ca 0.11 -0.32 -0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1n5r h ARG 417 Cb 0.04 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 1n5r h ARG 417 CO -0.02 0.93 0.37 -0.07 0.56 0.00 0.00 179.97 181.74 1n5r h LEU 418 N 0.55 0.73 -0.24 3.04 3.38 -1.10 -0.09 115.31 121.58 1n5r h LEU 418 Ca 0.09 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1n5r h LEU 418 Cb 0.69 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1n5r h LEU 418 CO 0.05 0.57 -0.05 0.00 0.09 0.00 0.00 178.44 179.10 1n5r h ALA 419 N 1.19 0.34 -0.25 1.53 0.00 -1.18 0.19 119.26 121.08 1n5r h ALA 419 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n5r h ALA 419 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1n5r h ALA 419 CO -0.04 0.12 0.09 0.00 0.00 0.00 0.00 179.25 179.41 1n5r h ALA 420 N 0.77 1.68 -0.92 0.00 0.00 -0.89 -3.08 119.26 116.82 1n5r h ALA 420 Ca 0.06 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.31 1n5r h ALA 420 Cb 0.50 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 17.89 1n5r h ALA 420 CO 0.02 0.26 0.57 1.04 0.00 0.00 0.00 179.25 181.14 1n5r n GLN 421 N -4.42 2.57 0.00 0.00 6.02 -0.06 -4.93 117.38 116.57 1n5r n GLN 421 Ca 0.01 -3.28 0.00 0.00 -0.01 0.00 0.00 57.00 53.71 1n5r n GLN 421 Cb 0.14 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.18 1n5r n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n5r n GLY 422 N -0.99 3.31 3.82 1.08 0.00 -1.16 -1.32 105.19 109.93 1n5r n GLY 422 Ca 0.58 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.28 1n5r n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n5r s ALA 423 N -2.90 2.79 -0.25 4.61 0.00 0.04 -4.07 121.76 121.97 1n5r s ALA 423 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.97 1n5r s ALA 423 Cb 0.00 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1n5r s ALA 423 CO 0.00 -0.96 0.34 0.50 0.00 0.00 0.00 175.76 175.64 1n5r s ARG 424 N -4.72 4.06 -0.03 0.00 3.52 -0.45 -4.39 118.95 116.94 1n5r s ARG 424 Ca 0.59 0.01 0.05 0.00 -0.13 0.00 0.00 55.73 56.26 1n5r s ARG 424 Cb -0.14 -3.61 -0.01 0.00 -1.56 0.00 0.00 34.95 29.63 1n5r s ARG 424 CO 0.48 -0.17 -0.18 0.08 -0.81 0.00 0.00 175.30 174.70 1n5r s VAL 425 N 1.73 1.49 -0.04 7.11 1.01 -1.26 -0.04 120.40 130.39 1n5r s VAL 425 Ca 0.14 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.39 1n5r s VAL 425 Cb -0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1n5r s VAL 425 CO 0.09 0.42 -0.19 -0.31 0.00 0.00 0.00 175.10 175.11 1n5r s TYR 426 N -0.27 1.89 0.11 5.22 1.51 -0.09 0.10 117.35 125.83 1n5r s TYR 426 Ca 0.03 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.63 1n5r s TYR 426 Cb -0.09 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.47 1n5r s TYR 426 CO 0.00 -0.16 -0.15 0.00 -1.11 0.00 0.00 175.55 174.14 1n5r s ALA 427 N -0.08 1.51 0.16 3.71 0.00 -1.25 -0.58 121.76 125.22 1n5r s ALA 427 Ca -0.02 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 1n5r s ALA 427 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1n5r s ALA 427 CO 0.02 0.15 0.29 1.52 0.00 0.00 0.00 175.76 177.74 1n5r s TYR 428 N -1.88 0.35 -0.08 0.00 -0.85 -0.60 -1.94 117.35 112.35 1n5r s TYR 428 Ca 0.07 -0.72 0.01 0.00 -0.52 0.00 0.00 57.07 55.91 1n5r s TYR 428 Cb -0.06 -0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.27 1n5r s TYR 428 CO 0.03 -0.72 -0.07 -1.50 -1.52 0.00 0.00 175.55 171.77 1n5r s ILE 429 N -3.96 0.86 -0.26 -3.49 2.07 -0.27 -2.22 121.20 113.94 1n5r s ILE 429 Ca 0.16 -0.26 -0.17 0.00 -1.41 0.00 0.00 60.65 58.97 1n5r s ILE 429 Cb 0.03 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 1n5r s ILE 429 CO -0.01 0.32 0.48 0.12 -1.91 0.00 0.00 174.94 173.94 1n5r s PHE 430 N 1.24 3.27 -0.02 3.50 2.19 0.56 -0.31 117.98 128.41 1n5r s PHE 430 Ca -0.05 0.59 0.03 0.00 0.33 0.00 0.00 56.93 57.82 1n5r s PHE 430 Cb -0.14 -2.68 0.04 0.00 -1.31 0.00 0.00 43.02 38.93 1n5r s PHE 430 CO -0.02 -0.25 1.00 0.39 1.83 0.00 0.00 175.22 178.16 1n5r n GLU 431 N 5.43 2.63 -3.36 10.12 1.02 0.31 -0.73 120.64 136.07 1n5r n GLU 431 Ca -0.05 -1.60 -0.39 0.00 -0.02 0.00 0.00 57.16 55.10 1n5r n GLU 431 Cb 0.50 -1.04 -0.08 0.00 -0.02 0.00 0.00 31.44 30.79 1n5r n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1n5r s HIS 432 N -1.21 3.30 -0.26 -0.32 2.46 -1.25 -4.95 115.29 113.06 1n5r s HIS 432 Ca 0.04 0.53 -0.21 0.00 0.47 0.00 0.00 55.06 55.89 1n5r s HIS 432 Cb 0.04 -2.58 -0.01 0.00 -0.13 0.00 0.00 32.58 29.89 1n5r s HIS 432 CO 0.00 -0.16 0.67 0.50 -2.47 0.00 0.00 174.74 173.29 1n5r s ARG 433 N 1.83 4.09 0.15 2.88 3.52 -1.26 -4.93 118.95 125.23 1n5r s ARG 433 Ca 0.18 0.59 -0.34 0.00 -0.13 0.00 0.00 55.73 56.02 1n5r s ARG 433 Cb -0.15 -3.66 -0.15 0.00 -1.56 0.00 0.00 34.95 29.42 1n5r s ARG 433 CO 0.09 -0.47 1.36 0.00 -0.81 0.00 0.00 175.30 175.47 1n5r n ALA 434 N 5.82 0.00 0.26 6.12 0.00 -1.26 -4.85 120.51 126.60 1n5r n ALA 434 Ca 0.01 0.47 0.13 0.00 0.00 0.00 0.00 53.44 54.04 1n5r n ALA 434 Cb 0.49 -2.16 0.78 0.00 0.00 0.00 0.00 19.45 18.55 1n5r n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n5r h SER 435 N 4.51 0.00 -0.36 0.00 4.64 -1.95 -1.86 113.55 118.53 1n5r h SER 435 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1n5r h SER 435 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1n5r h SER 435 CO 0.78 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.09 1n5r n THR 436 N -4.15 0.47 -1.81 2.95 -2.24 -1.26 -4.96 114.28 103.27 1n5r n THR 436 Ca -0.02 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.81 1n5r n THR 436 Cb 0.14 0.39 -0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1n5r n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1n5r s LEU 437 N -1.21 4.32 0.00 3.22 2.96 -0.70 -4.92 118.68 122.35 1n5r s LEU 437 Ca 0.31 3.03 0.16 0.00 -0.22 0.00 0.00 54.13 57.41 1n5r s LEU 437 Cb 0.17 -3.67 -0.12 0.00 0.50 0.00 0.00 46.19 43.08 1n5r s LEU 437 CO 0.23 -0.86 0.73 0.35 -1.32 0.00 0.00 176.35 175.48 1n5r n THR 438 N 0.60 0.00 -2.14 3.68 -2.24 -1.26 -4.95 114.28 107.97 1n5r n THR 438 Ca 0.01 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 1n5r n THR 438 Cb 0.39 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 1n5r n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1n5r s TRP 439 N -2.30 3.28 1.02 4.78 0.52 -1.26 -4.92 118.94 120.06 1n5r s TRP 439 Ca 0.08 1.46 -0.11 0.00 0.02 0.00 0.00 56.10 57.55 1n5r s TRP 439 Cb 0.12 -2.87 0.20 0.00 -1.15 0.00 0.00 33.47 29.78 1n5r s TRP 439 CO 0.57 -0.74 1.09 -1.25 0.02 0.00 0.00 176.95 176.63 1n5r s PRO 440 N -4.29 0.24 0.33 4.98 0.04 -1.26 -4.92 135.00 130.12 1n5r s PRO 440 Ca 0.60 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.83 1n5r s PRO 440 Cb -0.13 -1.66 0.59 0.00 0.04 0.00 0.00 34.50 33.34 1n5r s PRO 440 CO 0.38 -3.04 1.92 -0.07 0.04 0.00 0.00 177.00 176.23 1n5r h LEU 441 N -2.15 0.62 -2.56 -3.56 3.38 -1.94 -2.82 115.31 106.29 1n5r h LEU 441 Ca -0.52 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1n5r h LEU 441 Cb 1.30 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1n5r h LEU 441 CO 0.47 0.58 0.00 4.11 0.09 0.00 0.00 178.44 183.69 1n5r h TRP 442 N 0.68 0.00 0.00 1.13 5.08 -1.93 -0.51 115.95 120.40 1n5r h TRP 442 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.13 1n5r h TRP 442 Cb 0.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 1n5r h TRP 442 CO 0.01 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.84 1n5r n MET 443 N -2.94 0.07 0.00 0.12 2.81 -1.06 -4.99 117.12 111.14 1n5r n MET 443 Ca -0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1n5r n MET 443 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1n5r n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n5r n GLY 444 N 1.42 3.69 3.22 3.03 0.00 -0.20 -3.78 105.19 112.57 1n5r n GLY 444 Ca 0.08 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1n5r n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n5r s VAL 445 N 0.00 4.40 0.72 1.61 1.01 -1.26 -4.86 120.40 122.02 1n5r s VAL 445 Ca 0.00 -2.03 -0.11 0.00 0.00 0.00 0.00 61.98 59.83 1n5r s VAL 445 Cb 0.00 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1n5r s VAL 445 CO 0.00 -0.83 1.09 -2.84 0.00 0.00 0.00 175.10 172.51 1n5r s PRO 446 N 1.01 2.70 -0.10 2.72 0.02 -1.25 -1.26 135.00 138.84 1n5r s PRO 446 Ca 0.09 0.60 -0.39 0.00 0.02 0.00 0.00 61.00 61.33 1n5r s PRO 446 Cb -0.23 -1.99 -0.16 0.00 0.02 0.00 0.00 34.50 32.13 1n5r s PRO 446 CO -0.02 -1.18 1.53 1.58 -0.33 0.00 0.00 177.00 178.58 1n5r n HIS 447 N -3.13 1.74 -0.02 6.54 -0.00 -1.25 -1.63 115.22 117.48 1n5r n HIS 447 Ca 0.07 0.61 0.00 0.00 -0.00 0.00 0.00 57.72 58.40 1n5r n HIS 447 Cb 0.56 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.17 1n5r n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1n5r n GLY 448 N 3.30 1.12 1.17 1.57 0.00 -1.26 -4.95 105.19 106.14 1n5r n GLY 448 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1n5r n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n5r n TYR 449 N -2.00 1.02 0.05 1.61 4.02 -0.65 -3.16 117.16 118.05 1n5r n TYR 449 Ca 0.00 -0.36 0.10 0.00 -0.01 0.00 0.00 57.90 57.62 1n5r n TYR 449 Cb 0.00 -0.29 -0.15 0.00 -0.02 0.00 0.00 39.34 38.89 1n5r n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1n5r n GLU 450 N 0.35 0.60 -0.11 -0.72 0.00 -1.26 -4.58 120.64 114.91 1n5r n GLU 450 Ca 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 57.16 57.08 1n5r n GLU 450 Cb 0.70 -1.45 0.02 0.00 0.00 0.00 0.00 31.44 30.71 1n5r n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1n5r h ILE 451 N 0.00 0.88 -0.23 3.84 2.04 -1.94 -1.55 117.51 120.54 1n5r h ILE 451 Ca 0.00 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1n5r h ILE 451 Cb 0.84 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1n5r h ILE 451 CO 0.00 0.05 0.16 1.05 0.00 0.00 0.00 178.15 179.41 1n5r h GLU 452 N 0.28 0.03 -0.06 2.37 4.11 -1.80 -1.38 114.58 118.12 1n5r h GLU 452 Ca 0.17 -0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.43 1n5r h GLU 452 Cb 0.16 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1n5r h GLU 452 CO -0.18 0.02 -0.61 0.74 0.07 0.00 0.00 179.01 179.05 1n5r h PHE 453 N 0.03 0.74 -0.77 2.06 0.04 -1.59 -1.62 116.94 115.84 1n5r h PHE 453 Ca 0.11 -0.36 -0.03 0.00 2.80 0.00 0.00 57.97 60.49 1n5r h PHE 453 Cb 0.39 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 1n5r h PHE 453 CO -0.00 1.16 0.36 0.82 -0.60 0.00 0.00 178.31 180.05 1n5r h ILE 454 N 0.11 1.24 0.00 -0.55 1.08 -0.82 -1.77 117.51 116.80 1n5r h ILE 454 Ca -0.06 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 1n5r h ILE 454 Cb 1.28 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1n5r h ILE 454 CO 0.12 0.30 0.00 0.49 -0.69 0.00 0.00 178.15 178.37 1n5r n PHE 455 N -4.31 0.00 -0.99 1.37 3.01 -0.58 -4.45 117.46 111.52 1n5r n PHE 455 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1n5r n PHE 455 Cb 0.15 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 1n5r n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n5r n GLY 456 N 1.29 0.44 0.35 1.37 0.00 -0.67 -4.09 105.19 103.88 1n5r n GLY 456 Ca 0.09 -0.99 0.08 0.00 0.00 0.00 0.00 46.02 45.19 1n5r n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n5r h LEU 457 N 0.00 0.63 -1.80 0.99 4.07 -1.55 -1.86 115.31 115.80 1n5r h LEU 457 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1n5r h LEU 457 Cb 0.07 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1n5r h LEU 457 CO 0.00 0.40 0.17 -0.65 -1.08 0.00 0.00 178.44 177.28 1n5r h PRO 458 N 0.71 0.00 0.00 1.13 0.11 -1.90 0.36 132.00 132.41 1n5r h PRO 458 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1n5r h PRO 458 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1n5r h PRO 458 CO -0.11 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.96 1n5r n LEU 459 N -2.57 0.00 -4.48 2.35 4.32 -0.70 -4.49 117.00 111.43 1n5r n LEU 459 Ca -0.02 0.42 -0.43 0.00 -0.02 0.00 0.00 56.01 55.96 1n5r n LEU 459 Cb 0.22 -0.42 -0.06 0.00 -1.62 0.00 0.00 43.42 41.54 1n5r n LEU 459 CO 0.12 -0.17 0.46 -0.62 -1.22 0.00 0.00 177.39 175.96 1n5r s ASP 460 N -2.85 6.27 0.39 -1.43 -1.08 0.11 -4.78 116.67 113.31 1n5r s ASP 460 Ca 0.12 -0.68 0.19 0.00 -0.52 0.00 0.00 52.55 51.66 1n5r s ASP 460 Cb 0.12 -2.33 1.14 0.00 -1.46 0.00 0.00 42.92 40.38 1n5r s ASP 460 CO 0.30 -0.97 1.74 -0.65 0.52 0.00 0.00 175.17 176.11 1n5r h PRO 461 N 9.07 0.34 0.00 4.34 0.11 -1.87 0.23 132.00 144.22 1n5r h PRO 461 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1n5r h PRO 461 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1n5r h PRO 461 CO 0.99 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.88 1n5r n SER 462 N -4.69 0.00 -0.07 -2.05 3.41 -1.26 -2.77 113.62 106.19 1n5r n SER 462 Ca 0.28 0.15 0.13 0.00 -0.26 0.00 0.00 58.87 59.17 1n5r n SER 462 Cb 0.97 -0.34 0.40 0.00 -0.26 0.00 0.00 64.21 64.98 1n5r n SER 462 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n5r n LEU 463 N -1.34 0.53 -2.38 1.04 4.77 0.07 -4.98 117.00 114.72 1n5r n LEU 463 Ca 0.07 0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1n5r n LEU 463 Cb 0.15 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1n5r n LEU 463 CO 0.14 0.11 -0.01 0.59 -1.33 0.00 0.00 177.39 176.89 1n5r n ASN 464 N -1.22 -5.14 -4.86 -1.43 3.02 -1.12 -5.02 115.26 99.50 1n5r n ASN 464 Ca 0.09 -0.22 -0.31 0.00 -0.03 0.00 0.00 54.58 54.11 1n5r n ASN 464 Cb 0.33 -3.99 -0.04 0.00 -0.61 0.00 0.00 39.78 35.46 1n5r n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1n5r s TYR 465 N -3.03 3.43 0.92 3.10 2.02 -1.26 -4.86 117.35 117.67 1n5r s TYR 465 Ca 0.23 1.16 -0.11 0.00 -0.37 0.00 0.00 57.07 57.98 1n5r s TYR 465 Cb -0.10 -2.52 0.14 0.00 -0.40 0.00 0.00 41.96 39.08 1n5r s TYR 465 CO 0.28 -0.06 1.10 0.95 -1.57 0.00 0.00 175.55 176.25 1n5r s THR 466 N -2.26 2.54 0.38 -0.71 -4.23 -1.26 -4.86 115.64 105.25 1n5r s THR 466 Ca 0.53 0.17 0.14 0.00 -1.18 0.00 0.00 61.69 61.35 1n5r s THR 466 Cb -0.10 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.39 1n5r s THR 466 CO 0.26 -0.23 1.86 0.00 -0.54 0.00 0.00 174.62 175.98 1n5r h THR 467 N -1.72 1.21 -0.27 3.99 1.03 -1.97 -2.21 112.91 112.97 1n5r h THR 467 Ca -0.48 -1.13 -0.14 0.00 -0.01 0.00 0.00 66.41 64.65 1n5r h THR 467 Cb 1.28 1.61 -0.01 0.00 -1.07 0.00 0.00 68.15 69.96 1n5r h THR 467 CO 0.49 0.32 -0.41 -0.33 -0.01 0.00 0.00 175.52 175.59 1n5r h GLU 468 N 0.00 0.64 -0.35 0.00 3.07 -2.00 -2.73 114.58 113.21 1n5r h GLU 468 Ca -0.00 -0.33 -0.06 0.00 -0.50 0.00 0.00 59.36 58.47 1n5r h GLU 468 Cb 0.59 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 1n5r h GLU 468 CO 0.04 0.93 -0.02 0.93 -1.40 0.00 0.00 179.01 179.50 1n5r h GLU 469 N 0.52 0.56 -0.46 2.33 5.08 -1.76 0.33 114.58 121.19 1n5r h GLU 469 Ca 0.04 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1n5r h GLU 469 Cb 0.93 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1n5r h GLU 469 CO 0.08 0.60 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.40 1n5r h ARG 470 N 0.53 0.93 -0.40 2.33 2.43 -1.31 0.93 114.38 119.82 1n5r h ARG 470 Ca 0.11 -0.39 -0.14 0.00 -0.81 0.00 0.00 59.98 58.76 1n5r h ARG 470 Cb 0.37 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1n5r h ARG 470 CO 0.01 1.05 -0.29 0.82 -1.51 0.00 0.00 179.97 180.05 1n5r h ILE 471 N 0.81 1.28 0.22 1.20 2.04 -1.14 -2.17 117.51 119.74 1n5r h ILE 471 Ca 0.11 -1.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 1n5r h ILE 471 Cb 0.77 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 1n5r h ILE 471 CO 0.06 0.49 -0.18 0.15 0.00 0.00 0.00 178.15 178.67 1n5r h PHE 472 N 0.73 -0.48 -0.80 1.37 3.57 -0.74 -1.73 116.94 118.87 1n5r h PHE 472 Ca 0.08 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.68 1n5r h PHE 472 Cb 0.87 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.72 1n5r h PHE 472 CO 0.06 -0.28 0.44 0.00 -2.23 0.00 0.00 178.31 176.30 1n5r h ALA 473 N 0.32 1.14 -0.78 2.41 0.00 -0.76 0.70 119.26 122.30 1n5r h ALA 473 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1n5r h ALA 473 Cb 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1n5r h ALA 473 CO -0.02 0.03 0.46 1.96 0.00 0.00 0.00 179.25 181.69 1n5r h GLN 474 N 0.72 1.05 -0.20 0.00 4.20 -1.00 -0.77 115.11 119.12 1n5r h GLN 474 Ca 0.40 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 1n5r h GLN 474 Cb 0.41 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1n5r h GLN 474 CO -0.27 0.74 0.12 0.00 -0.67 0.00 0.00 178.83 178.75 1n5r h ARG 475 N 1.07 0.27 -0.47 1.46 3.08 0.00 -2.39 114.38 117.41 1n5r h ARG 475 Ca 0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 1n5r h ARG 475 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1n5r h ARG 475 CO -0.05 0.22 0.26 -0.07 -1.07 0.00 0.00 179.97 179.27 1n5r h LEU 476 N 0.24 0.57 -1.49 3.04 3.38 -0.73 -1.41 115.31 118.92 1n5r h LEU 476 Ca 0.07 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1n5r h LEU 476 Cb 0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1n5r h LEU 476 CO -0.01 0.49 0.36 0.24 0.09 0.00 0.00 178.44 179.60 1n5r h MET 477 N 0.62 0.67 -0.28 1.13 2.86 -1.09 0.34 114.93 119.17 1n5r h MET 477 Ca 0.16 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1n5r h MET 477 Cb 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1n5r h MET 477 CO -0.03 0.44 -0.10 0.87 1.06 0.00 0.00 176.91 179.15 1n5r h LYS 478 N 0.69 0.57 0.13 1.72 1.79 -0.87 -0.99 116.57 119.61 1n5r h LYS 478 Ca 0.21 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1n5r h LYS 478 Cb -0.01 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1n5r h LYS 478 CO -0.05 0.79 -0.06 1.88 -1.08 0.00 0.00 179.45 180.93 1n5r h TYR 479 N 0.32 -0.17 -0.59 -1.35 0.05 -0.32 0.30 116.97 115.22 1n5r h TYR 479 Ca 0.07 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1n5r h TYR 479 Cb 0.60 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1n5r h TYR 479 CO 0.06 -0.09 0.36 -1.49 -1.05 0.00 0.00 178.16 175.95 1n5r h TRP 480 N -0.20 0.78 0.01 4.88 -0.00 -0.97 0.63 115.95 121.08 1n5r h TRP 480 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 58.89 58.68 1n5r h TRP 480 Cb 0.15 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.04 1n5r h TRP 480 CO -0.06 0.53 -0.89 1.79 -0.00 0.00 0.00 178.44 179.80 1n5r h THR 481 N 0.80 1.54 -0.47 1.49 1.35 -1.07 -0.10 112.91 116.46 1n5r h THR 481 Ca 0.21 -2.77 -0.06 0.00 -0.55 0.00 0.00 66.41 63.24 1n5r h THR 481 Cb -0.03 2.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 1n5r h THR 481 CO -0.04 0.80 0.07 0.78 -0.25 0.00 0.00 175.52 176.88 1n5r h ASN 482 N 0.06 0.75 -0.51 5.36 2.35 -0.21 0.53 115.58 123.91 1n5r h ASN 482 Ca -0.04 -0.26 0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1n5r h ASN 482 Cb 1.54 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.68 1n5r h ASN 482 CO 0.13 0.82 0.34 0.15 -1.65 0.00 0.00 177.43 177.22 1n5r h PHE 483 N 0.65 0.64 -0.70 1.19 3.57 -0.68 0.74 116.94 122.35 1n5r h PHE 483 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1n5r h PHE 483 Cb 0.40 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1n5r h PHE 483 CO 0.03 0.40 0.39 0.00 -2.23 0.00 0.00 178.31 176.91 1n5r h ALA 484 N 1.19 0.90 -0.35 2.41 0.00 -0.57 0.40 119.26 123.24 1n5r h ALA 484 Ca 0.19 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1n5r h ALA 484 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1n5r h ALA 484 CO -0.04 0.41 -0.19 0.00 0.00 0.00 0.00 179.25 179.42 1n5r h ARG 485 N 0.97 0.75 0.00 0.00 3.08 -0.46 -3.40 114.38 115.32 1n5r h ARG 485 Ca 0.25 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1n5r h ARG 485 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1n5r h ARG 485 CO -0.04 0.95 -0.01 0.25 -1.07 0.00 0.00 179.97 180.06 1n5r n THR 486 N -4.29 0.00 -0.87 2.04 -2.24 0.22 -5.00 114.28 104.14 1n5r n THR 486 Ca -0.02 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1n5r n THR 486 Cb 0.42 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 1n5r n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n5r n GLY 487 N 0.90 0.52 3.04 3.38 0.00 0.14 -5.01 105.19 108.15 1n5r n GLY 487 Ca 0.00 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1n5r n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n5r s ASP 488 N -2.39 0.18 0.00 1.61 -1.08 -1.25 -4.88 116.67 108.86 1n5r s ASP 488 Ca 0.00 0.61 0.20 0.00 -0.52 0.00 0.00 52.55 52.84 1n5r s ASP 488 Cb 0.00 0.68 0.88 0.00 -1.46 0.00 0.00 42.92 43.02 1n5r s ASP 488 CO 0.00 -0.22 1.65 -0.81 0.52 0.00 0.00 175.17 176.30 1n5r n PRO 489 N 5.11 0.04 -2.40 4.34 -0.04 -1.26 -3.05 135.00 137.73 1n5r n PRO 489 Ca -0.10 0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 1n5r n PRO 489 Cb 0.50 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 1n5r n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1n5r s ASN 490 N -2.95 6.65 -0.43 3.54 0.01 -1.26 -4.42 114.94 116.08 1n5r s ASN 490 Ca 0.11 2.23 -0.29 0.00 -0.71 0.00 0.00 52.86 54.20 1n5r s ASN 490 Cb 0.13 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.20 1n5r s ASN 490 CO 0.36 -0.58 1.32 -0.62 -1.51 0.00 0.00 177.10 176.07 1n5r s ASP 491 N -1.28 6.45 0.00 -1.22 -1.08 -1.26 -4.89 116.67 113.39 1n5r s ASP 491 Ca 0.57 0.74 0.19 0.00 -0.52 0.00 0.00 52.55 53.52 1n5r s ASP 491 Cb -0.28 -2.54 1.10 0.00 -1.46 0.00 0.00 42.92 39.74 1n5r s ASP 491 CO 0.35 -1.36 1.54 -2.65 0.52 0.00 0.00 175.17 173.57 1n5r n PRO 492 N 7.96 0.52 -0.13 4.34 -0.02 -1.26 -2.87 135.00 143.53 1n5r n PRO 492 Ca 0.15 0.03 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 1n5r n PRO 492 Cb 0.48 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 1n5r n PRO 492 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n5r n ARG 493 N -1.07 0.59 -2.01 -0.52 3.00 -1.26 -4.93 116.66 110.47 1n5r n ARG 493 Ca 0.13 0.30 -0.40 0.00 -0.01 0.00 0.00 57.85 57.87 1n5r n ARG 493 Cb 0.08 -1.53 -0.01 0.00 0.00 0.00 0.00 32.46 31.00 1n5r n ARG 493 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1n5r s ASP 494 N -7.34 6.50 -0.17 0.55 2.15 -1.14 -4.93 116.67 112.28 1n5r s ASP 494 Ca -0.37 2.78 0.16 0.00 0.43 0.00 0.00 52.55 55.54 1n5r s ASP 494 Cb 0.13 -2.65 0.44 0.00 -0.30 0.00 0.00 42.92 40.54 1n5r s ASP 494 CO 0.52 -0.73 1.19 -0.24 -0.17 0.00 0.00 175.17 175.73 1n5r n SER 495 N 0.48 2.07 -2.83 -0.34 2.88 -1.26 -4.86 113.62 109.77 1n5r n SER 495 Ca 0.01 -3.18 0.01 0.00 -1.33 0.00 0.00 58.87 54.39 1n5r n SER 495 Cb 0.42 -0.43 0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1n5r n SER 495 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1n5r s LYS 496 N -2.50 0.32 0.00 -1.46 2.47 -1.26 -5.15 119.74 112.16 1n5r s LYS 496 Ca 0.38 -0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.65 1n5r s LYS 496 Cb 0.38 0.03 0.00 0.00 -1.46 0.00 0.00 37.83 36.77 1n5r s LYS 496 CO -0.07 -0.44 0.00 -1.13 0.16 0.00 0.00 175.35 173.86 1n5r n SER 497 N 3.64 0.00 -4.73 1.43 3.41 -1.26 -5.04 113.62 111.07 1n5r n SER 497 Ca 0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.36 1n5r n SER 497 Cb 0.62 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.67 1n5r n SER 497 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1n5r s PRO 498 N 0.00 2.06 0.37 4.33 0.04 -1.26 -4.87 135.00 135.67 1n5r s PRO 498 Ca 0.00 1.58 -0.26 0.00 0.04 0.00 0.00 61.00 62.36 1n5r s PRO 498 Cb 0.00 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1n5r s PRO 498 CO 0.00 -1.85 1.08 -0.65 0.04 0.00 0.00 177.00 175.61 1n5r s GLN 499 N -4.21 4.26 -0.49 4.56 -1.52 -1.26 -4.87 119.66 116.13 1n5r s GLN 499 Ca 0.70 1.63 -0.20 0.00 -1.95 0.00 0.00 55.36 55.54 1n5r s GLN 499 Cb -0.25 -2.72 0.05 0.00 -0.22 0.00 0.00 33.01 29.86 1n5r s GLN 499 CO 0.48 -0.08 0.67 -0.46 -0.25 0.00 0.00 175.29 175.65 1n5r s TRP 500 N -1.49 3.02 0.50 0.91 -0.11 -1.26 -4.94 118.94 115.56 1n5r s TRP 500 Ca 0.54 -0.34 -0.15 0.00 1.22 0.00 0.00 56.10 57.38 1n5r s TRP 500 Cb -0.26 -3.55 -0.07 0.00 -1.50 0.00 0.00 33.47 28.09 1n5r s TRP 500 CO 0.33 -1.03 0.95 -1.25 -4.62 0.00 0.00 176.95 171.32 1n5r s PRO 501 N 2.86 3.89 0.60 5.86 0.04 -1.26 -4.87 135.00 142.12 1n5r s PRO 501 Ca 0.19 0.85 -0.19 0.00 0.04 0.00 0.00 61.00 61.89 1n5r s PRO 501 Cb -0.17 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1n5r s PRO 501 CO 0.15 -0.25 1.24 -2.14 0.04 0.00 0.00 177.00 176.03 1n5r s PRO 502 N -4.11 2.92 0.06 0.56 0.02 -1.26 -4.70 135.00 128.49 1n5r s PRO 502 Ca 0.57 1.91 -0.26 0.00 0.02 0.00 0.00 61.00 63.24 1n5r s PRO 502 Cb -0.10 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 1n5r s PRO 502 CO 0.33 -1.27 0.81 -0.47 -0.33 0.00 0.00 177.00 176.07 1n5r s TYR 503 N -1.52 3.76 0.10 6.54 6.14 0.29 -4.52 117.35 128.13 1n5r s TYR 503 Ca 0.78 1.55 0.01 0.00 0.64 0.00 0.00 57.07 60.05 1n5r s TYR 503 Cb -0.33 -2.87 -0.04 0.00 0.42 0.00 0.00 41.96 39.14 1n5r s TYR 503 CO 0.36 0.27 -0.05 0.95 0.64 0.00 0.00 175.55 177.71 1n5r s THR 504 N -0.09 0.60 0.24 4.34 -4.23 -1.26 -4.42 115.64 110.83 1n5r s THR 504 Ca 0.40 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1n5r s THR 504 Cb -0.21 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1n5r s THR 504 CO 0.25 -0.85 1.61 0.71 -0.54 0.00 0.00 174.62 175.80 1n5r h THR 505 N 2.97 1.31 0.65 3.99 1.35 -1.91 0.26 112.91 121.55 1n5r h THR 505 Ca -0.35 -1.61 -0.03 0.00 -0.55 0.00 0.00 66.41 63.87 1n5r h THR 505 Cb 1.16 1.65 0.01 0.00 -1.73 0.00 0.00 68.15 69.24 1n5r h THR 505 CO 0.65 0.50 -0.31 0.00 -0.25 0.00 0.00 175.52 176.10 1n5r h ALA 506 N 1.18 -1.02 0.00 6.62 0.00 -2.00 -3.36 119.26 120.68 1n5r h ALA 506 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1n5r h ALA 506 Cb 0.91 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1n5r h ALA 506 CO 0.08 -0.96 -1.12 0.00 0.00 0.00 0.00 179.25 177.25 1n5r n ALA 507 N -2.57 2.40 -4.03 0.00 0.00 -1.24 -4.99 120.51 110.07 1n5r n ALA 507 Ca -0.11 -0.31 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 1n5r n ALA 507 Cb 0.35 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 1n5r n ALA 507 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1n5r n GLN 508 N -2.71 -3.96 -2.88 0.00 6.02 0.93 -4.34 117.38 110.43 1n5r n GLN 508 Ca -0.02 0.46 -0.40 0.00 -0.01 0.00 0.00 57.00 57.03 1n5r n GLN 508 Cb 0.62 -5.05 -0.06 0.00 1.02 0.00 0.00 30.24 26.77 1n5r n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1n5r s GLN 509 N -6.67 4.66 0.16 -1.09 -0.21 -1.26 -0.66 119.66 114.59 1n5r s GLN 509 Ca 0.46 1.28 -0.08 0.00 0.02 0.00 0.00 55.36 57.04 1n5r s GLN 509 Cb -0.24 -3.30 -0.01 0.00 1.00 0.00 0.00 33.01 30.46 1n5r s GLN 509 CO 0.88 0.47 0.27 1.52 -2.12 0.00 0.00 175.29 176.32 1n5r s TYR 510 N -0.86 0.43 0.19 0.91 1.13 -0.40 -3.92 117.35 114.84 1n5r s TYR 510 Ca 0.39 -0.80 0.10 0.00 -1.41 0.00 0.00 57.07 55.35 1n5r s TYR 510 Cb -0.24 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 1n5r s TYR 510 CO 0.28 -0.71 -0.14 0.14 -2.51 0.00 0.00 175.55 172.61 1n5r s VAL 511 N -3.98 2.94 -0.12 -3.49 -7.23 -0.82 -0.12 120.40 107.59 1n5r s VAL 511 Ca 0.18 -1.80 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 1n5r s VAL 511 Cb 0.03 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1n5r s VAL 511 CO 0.00 -0.13 0.45 -0.94 -0.31 0.00 0.00 175.10 174.17 1n5r s SER 512 N -2.85 6.65 -0.33 4.85 1.04 -0.73 -1.11 113.70 121.22 1n5r s SER 512 Ca 0.24 0.77 -0.08 0.00 0.48 0.00 0.00 55.95 57.36 1n5r s SER 512 Cb -0.08 -2.27 0.02 0.00 0.10 0.00 0.00 66.02 63.79 1n5r s SER 512 CO 0.14 0.01 0.12 -0.76 0.98 0.00 0.00 173.24 173.73 1n5r s LEU 513 N 0.61 4.20 0.00 2.42 1.43 0.58 -4.04 118.68 123.88 1n5r s LEU 513 Ca 0.25 -0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1n5r s LEU 513 Cb -0.15 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1n5r s LEU 513 CO 0.09 -0.28 0.29 -0.46 0.23 0.00 0.00 176.35 176.23 1n5r n ASN 514 N 4.88 -0.83 0.06 2.29 2.04 -1.26 -0.53 115.26 121.92 1n5r n ASN 514 Ca -0.13 -1.56 0.04 0.00 -0.44 0.00 0.00 54.58 52.49 1n5r n ASN 514 Cb 0.47 1.37 0.46 0.00 -2.53 0.00 0.00 39.78 39.55 1n5r n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1n5r h LEU 515 N 0.00 0.35-10.32 -4.53 3.38 -1.95 -3.43 115.31 98.80 1n5r h LEU 515 Ca -0.12 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.32 1n5r h LEU 515 Cb 0.45 -0.09 0.09 0.00 0.09 0.00 0.00 40.66 41.20 1n5r h LEU 515 CO 0.15 0.29 0.38 -0.54 0.09 0.00 0.00 178.44 178.81 1n5r s LYS 516 N -5.31 3.08 0.90 1.13 1.02 -1.26 -5.01 119.74 114.29 1n5r s LYS 516 Ca -0.07 0.95 -0.11 0.00 0.02 0.00 0.00 55.97 56.76 1n5r s LYS 516 Cb 0.17 -2.01 0.13 0.00 -0.52 0.00 0.00 37.83 35.60 1n5r s LYS 516 CO 0.72 -0.99 1.11 -2.30 -0.92 0.00 0.00 175.35 172.97 1n5r n PRO 517 N -2.95 -0.36 -1.59 -1.68 -0.02 -1.26 -4.86 135.00 122.28 1n5r n PRO 517 Ca 0.07 -0.04 -0.47 0.00 -2.02 0.00 0.00 63.50 61.05 1n5r n PRO 517 Cb 0.54 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1n5r n PRO 517 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1n5r n LEU 518 N -3.90 1.78 -4.11 2.45 4.77 -1.26 -4.94 117.00 111.78 1n5r n LEU 518 Ca 0.12 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.96 1n5r n LEU 518 Cb 0.52 -1.26 -0.17 0.00 -2.33 0.00 0.00 43.42 40.18 1n5r n LEU 518 CO 0.49 -1.24 -0.51 -0.70 -1.33 0.00 0.00 177.39 174.10 1n5r s GLU 519 N -0.72 2.42 -0.06 3.23 2.12 -1.26 -4.76 118.70 119.68 1n5r s GLU 519 Ca 0.68 -0.65 -0.22 0.00 0.36 0.00 0.00 54.97 55.14 1n5r s GLU 519 Cb -0.78 -1.94 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 1n5r s GLU 519 CO 0.54 0.05 0.66 0.08 -0.54 0.00 0.00 175.26 176.05 1n5r s VAL 520 N 0.65 5.04 0.28 3.70 1.01 -1.26 -1.78 120.40 128.04 1n5r s VAL 520 Ca -0.13 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.28 1n5r s VAL 520 Cb -0.16 -4.00 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1n5r s VAL 520 CO 0.04 0.29 -0.08 -0.13 0.00 0.00 0.00 175.10 175.21 1n5r s ARG 521 N 0.62 1.58 -0.03 2.72 0.52 0.84 -4.97 118.95 120.23 1n5r s ARG 521 Ca 0.35 -1.79 0.05 0.00 -0.52 0.00 0.00 55.73 53.82 1n5r s ARG 521 Cb -0.18 -1.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.00 1n5r s ARG 521 CO 0.17 0.09 -0.17 1.03 0.02 0.00 0.00 175.30 176.44 1n5r s ARG 522 N -3.68 1.65 0.00 3.54 0.52 -1.26 -1.27 118.95 118.45 1n5r s ARG 522 Ca 0.29 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 1n5r s ARG 522 Cb 0.02 -1.48 0.00 0.00 0.52 0.00 0.00 34.95 34.01 1n5r s ARG 522 CO 0.12 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.13 1n5r n GLY 523 N 3.00 -3.21 3.41 -3.53 0.00 0.16 -4.91 105.19 100.10 1n5r n GLY 523 Ca -0.17 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.76 1n5r n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n5r s LEU 524 N -0.01 5.49 -1.51 0.99 2.96 -1.26 -4.28 118.68 121.05 1n5r s LEU 524 Ca 0.00 -2.00 -0.10 0.00 -0.22 0.00 0.00 54.13 51.82 1n5r s LEU 524 Cb 0.00 -2.34 0.07 0.00 0.50 0.00 0.00 46.19 44.43 1n5r s LEU 524 CO 0.00 -0.98 0.75 0.54 -1.32 0.00 0.00 176.35 175.34 1n5r n ARG 525 N 5.97 -4.29 -0.18 1.98 5.12 -1.26 -4.71 116.66 119.29 1n5r n ARG 525 Ca 0.13 0.50 -0.03 0.00 -1.93 0.00 0.00 57.85 56.51 1n5r n ARG 525 Cb 0.47 -5.11 0.03 0.00 -1.16 0.00 0.00 32.46 26.69 1n5r n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n5r h ALA 526 N 0.91 0.17 0.04 7.54 0.00 -1.93 0.62 119.26 126.61 1n5r h ALA 526 Ca -0.60 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1n5r h ALA 526 Cb 1.37 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1n5r h ALA 526 CO 0.67 -0.55 -0.02 1.96 0.00 0.00 0.00 179.25 181.31 1n5r h GLN 527 N -0.10 -0.05 -0.71 0.00 1.08 -1.96 -2.13 115.11 111.24 1n5r h GLN 527 Ca 0.25 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.40 1n5r h GLN 527 Cb 0.49 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 1n5r h GLN 527 CO -0.61 0.30 0.22 1.15 -0.95 0.00 0.00 178.83 178.94 1n5r h THR 528 N -0.41 1.26 0.00 -0.54 2.02 -1.87 -2.38 112.91 110.99 1n5r h THR 528 Ca -0.01 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1n5r h THR 528 Cb 0.37 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1n5r h THR 528 CO 0.01 0.35 -0.21 0.00 0.37 0.00 0.00 175.52 176.04 1n5r h ALA 530 N 1.79 0.86 0.09 0.00 0.00 -0.89 0.66 119.26 121.77 1n5r h ALA 530 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1n5r h ALA 530 Cb 0.70 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1n5r h ALA 530 CO 0.03 0.65 -0.28 0.35 0.00 0.00 0.00 179.25 180.00 1n5r h PHE 531 N 0.87 -0.75 -0.28 0.00 3.57 -0.92 0.20 116.94 119.63 1n5r h PHE 531 Ca 0.14 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1n5r h PHE 531 Cb 0.62 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1n5r h PHE 531 CO 0.04 -0.38 -0.18 -1.49 -2.23 0.00 0.00 178.31 174.07 1n5r h TRP 532 N -0.47 0.72 0.00 0.41 4.06 -1.12 -0.46 115.95 119.08 1n5r h TRP 532 Ca 0.04 -0.19 -0.02 0.00 2.06 0.00 0.00 58.89 60.78 1n5r h TRP 532 Cb 0.52 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1n5r h TRP 532 CO -0.27 0.88 -0.70 -0.91 -3.56 0.00 0.00 178.44 173.88 1n5r h ASN 533 N 0.35 0.00 0.00 -3.49 2.35 0.38 -3.38 115.58 111.80 1n5r h ASN 533 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1n5r h ASN 533 Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1n5r h ASN 533 CO 0.05 0.06 -1.39 0.54 -1.65 0.00 0.00 177.43 175.03 1n5r n ARG 534 N -2.84 0.16 -0.06 0.81 1.74 0.68 -4.76 116.66 112.38 1n5r n ARG 534 Ca 0.01 0.06 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 1n5r n ARG 534 Cb 0.57 -0.88 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1n5r n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1n5r h PHE 535 N -0.17 0.00 -0.80 -1.55 3.57 -1.08 -3.29 116.94 113.62 1n5r h PHE 535 Ca -0.17 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.49 1n5r h PHE 535 Cb 1.18 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.82 1n5r h PHE 535 CO -0.01 0.44 0.32 -0.07 -2.23 0.00 0.00 178.31 176.76 1n5r h LEU 536 N -1.00 0.28 0.32 0.59 3.38 -1.26 -0.54 115.31 117.07 1n5r h LEU 536 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1n5r h LEU 536 Cb 0.45 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1n5r h LEU 536 CO -0.00 0.07 -0.39 -0.65 0.09 0.00 0.00 178.44 177.56 1n5r h PRO 537 N 0.43 -0.72 -1.01 1.13 0.11 -1.74 -0.95 132.00 129.24 1n5r h PRO 537 Ca 0.46 0.05 0.29 0.00 0.11 0.00 0.00 66.00 66.91 1n5r h PRO 537 Cb 0.75 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.98 1n5r h PRO 537 CO -0.45 -0.48 0.73 0.87 -0.21 0.00 0.00 178.00 178.46 1n5r h LYS 538 N -0.75 0.03 0.51 1.05 1.57 -1.35 -0.09 116.57 117.53 1n5r h LYS 538 Ca -0.02 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1n5r h LYS 538 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1n5r h LYS 538 CO -0.11 0.02 -0.24 1.25 -0.57 0.00 0.00 179.45 179.80 1n5r h LEU 539 N 0.03 -0.58 -1.41 2.94 5.85 0.16 -3.31 115.31 118.99 1n5r h LEU 539 Ca 0.49 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 59.13 1n5r h LEU 539 Cb 1.90 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 43.07 1n5r h LEU 539 CO -0.02 -0.17 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.79 1n5r h LEU 540 N -1.11 0.30 -5.95 2.25 3.38 -0.26 0.29 115.31 114.21 1n5r h LEU 540 Ca -0.07 -0.05 -0.74 0.00 0.09 0.00 0.00 57.88 57.11 1n5r h LEU 540 Cb 0.58 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 1n5r h LEU 540 CO 0.11 0.40 2.38 -1.54 0.09 0.00 0.00 178.44 179.88 1n5r n SER 541 N -4.31 6.70 0.00 -0.43 3.41 -0.18 -3.99 113.62 114.82 1n5r n SER 541 Ca 0.00 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 1n5r n SER 541 Cb 0.23 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1n5r n SER 541 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n5r n ALA 542 N 2.90 0.00 -0.55 7.33 0.00 -1.23 -4.90 120.51 124.06 1n5r n ALA 542 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1n5r n ALA 542 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1n5r n ALA 542 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75