#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5r n GLY 2 N 0.00 4.21 0.00 -1.84 0.00 -1.26 -4.91 105.19 101.39 1n5r n GLY 2 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.30 1n5r n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n5r n ARG 3 N 0.00 0.96 -2.32 1.61 3.00 -1.26 -5.01 116.66 113.64 1n5r n ARG 3 Ca 0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.85 57.56 1n5r n ARG 3 Cb 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 32.46 31.13 1n5r n ARG 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1n5r s GLU 4 N -2.74 2.92 -0.23 5.56 2.02 -1.26 -4.98 118.70 119.99 1n5r s GLU 4 Ca 0.06 0.07 -0.28 0.00 0.02 0.00 0.00 54.97 54.84 1n5r s GLU 4 Cb 0.14 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1n5r s GLU 4 CO 0.75 -0.75 2.23 -3.47 0.02 0.00 0.00 175.26 174.04 1n5r n ASP 5 N -2.65 3.21 0.21 -0.19 -0.08 -1.26 -4.82 116.55 110.98 1n5r n ASP 5 Ca 0.05 0.19 0.15 0.00 -1.51 0.00 0.00 54.79 53.66 1n5r n ASP 5 Cb 0.57 -1.55 0.77 0.00 2.34 0.00 0.00 41.12 43.25 1n5r n ASP 5 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1n5r h PRO 6 N 15.14 0.00 -0.01 -0.67 0.13 -1.97 -2.00 132.00 142.63 1n5r h PRO 6 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1n5r h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1n5r h PRO 6 CO 0.96 0.00 -0.05 0.94 -0.23 0.00 0.00 178.00 179.63 1n5r n GLN 7 N -2.50 1.09 -0.12 0.86 -0.06 -1.26 -3.82 117.38 111.56 1n5r n GLN 7 Ca -0.02 -0.40 0.05 0.00 -2.00 0.00 0.00 57.00 54.63 1n5r n GLN 7 Cb 0.06 -1.49 0.12 0.00 -4.06 0.00 0.00 30.24 24.86 1n5r n GLN 7 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1n5r n LEU 8 N -0.60 2.61 -4.52 1.69 4.77 -0.75 -4.84 117.00 115.35 1n5r n LEU 8 Ca 0.19 -1.79 -0.36 0.00 -0.03 0.00 0.00 56.01 54.02 1n5r n LEU 8 Cb 0.25 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1n5r n LEU 8 CO 0.20 0.63 -0.27 -0.76 -1.33 0.00 0.00 177.39 175.85 1n5r s LEU 9 N -0.96 3.56 0.05 2.23 1.43 -1.25 -0.75 118.68 122.99 1n5r s LEU 9 Ca 0.19 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1n5r s LEU 9 Cb 0.10 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1n5r s LEU 9 CO 0.14 0.05 -0.05 -0.69 0.23 0.00 0.00 176.35 176.03 1n5r s VAL 10 N 1.09 0.33 -0.05 -1.59 1.01 -0.50 -5.00 120.40 115.69 1n5r s VAL 10 Ca 0.04 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 60.65 1n5r s VAL 10 Cb -0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1n5r s VAL 10 CO 0.03 -0.71 -0.24 -0.60 0.00 0.00 0.00 175.10 173.58 1n5r s ARG 11 N -2.74 2.39 0.38 2.72 3.52 -1.26 0.70 118.95 124.66 1n5r s ARG 11 Ca -0.02 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 54.78 1n5r s ARG 11 Cb -0.01 -2.04 -0.07 0.00 -1.56 0.00 0.00 34.95 31.27 1n5r s ARG 11 CO -0.04 0.37 0.04 0.14 -0.81 0.00 0.00 175.30 174.99 1n5r s VAL 12 N -0.15 1.53 0.44 7.11 -7.23 0.74 -4.87 120.40 117.97 1n5r s VAL 12 Ca -0.03 -2.00 0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1n5r s VAL 12 Cb -0.13 -2.84 0.48 0.00 0.56 0.00 0.00 36.38 34.45 1n5r s VAL 12 CO 0.03 0.00 1.66 -0.09 -0.31 0.00 0.00 175.10 176.39 1n5r h ARG 13 N 1.91 0.14 -0.00 4.82 9.65 -1.95 0.15 114.38 129.09 1n5r h ARG 13 Ca -0.42 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 1n5r h ARG 13 Cb 1.25 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1n5r h ARG 13 CO 0.75 0.09 -0.42 0.41 2.80 0.00 0.00 179.97 183.59 1n5r n GLY 14 N -1.54 -0.96 0.00 2.80 0.00 -1.26 -4.88 105.19 99.34 1n5r n GLY 14 Ca 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.43 0.15 3.81 -0.02 0.00 0.51 -0.80 105.19 110.28 1n5r n GLY 15 Ca 0.08 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 4.20 0.09 1.61 -0.21 -1.25 -0.19 119.66 121.91 1n5r s GLN 16 Ca 0.00 0.73 0.08 0.00 0.02 0.00 0.00 55.36 56.19 1n5r s GLN 16 Cb 0.00 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 1n5r s GLN 16 CO 0.00 0.63 -0.20 -0.51 -2.12 0.00 0.00 175.29 173.10 1n5r s LEU 17 N -1.15 2.28 -0.17 2.90 1.43 0.22 0.17 118.68 124.35 1n5r s LEU 17 Ca 0.29 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1n5r s LEU 17 Cb -0.19 -0.83 0.03 0.00 0.03 0.00 0.00 46.19 45.23 1n5r s LEU 17 CO 0.19 0.05 -0.14 -0.60 0.23 0.00 0.00 176.35 176.08 1n5r s ARG 18 N -1.77 2.39 0.00 1.70 3.52 -0.48 -1.41 118.95 122.89 1n5r s ARG 18 Ca 0.05 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.91 1n5r s ARG 18 Cb -0.10 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 1n5r s ARG 18 CO 0.04 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 1n5r n GLY 19 N 4.70 1.10 3.01 8.12 0.00 0.07 -0.05 105.19 122.13 1n5r n GLY 19 Ca -0.17 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 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 0.80 0.53 -0.27 -0.61 2.07 0.18 -4.76 121.20 119.13 1n5r s ILE 20 Ca 0.00 -0.61 -0.22 0.00 -1.41 0.00 0.00 60.65 58.41 1n5r s ILE 20 Cb 0.00 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 1n5r s ILE 20 CO 0.00 -0.08 0.70 -0.60 -1.91 0.00 0.00 174.94 173.05 1n5r s ARG 21 N -0.76 4.05 0.19 3.50 3.52 -1.26 -0.78 118.95 127.42 1n5r s ARG 21 Ca -0.03 0.58 0.07 0.00 -0.13 0.00 0.00 55.73 56.23 1n5r s ARG 21 Cb -0.06 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1n5r s ARG 21 CO 0.00 -0.52 0.07 -0.51 -0.81 0.00 0.00 175.30 173.53 1n5r s LEU 22 N 2.68 3.52 -0.22 -0.88 1.43 0.55 -4.93 118.68 120.83 1n5r s LEU 22 Ca 0.29 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 1n5r s LEU 22 Cb -0.15 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1n5r s LEU 22 CO 0.10 0.06 0.39 -0.75 0.23 0.00 0.00 176.35 176.37 1n5r s LYS 23 N -3.17 4.13 0.21 1.70 2.36 -1.26 -0.64 119.74 123.06 1n5r s LYS 23 Ca 0.30 0.15 0.09 0.00 -2.55 0.00 0.00 55.97 53.96 1n5r s LYS 23 Cb -0.09 -3.57 -0.04 0.00 -1.05 0.00 0.00 37.83 33.08 1n5r s LYS 23 CO 0.21 -0.10 -0.06 0.00 1.55 0.00 0.00 175.35 176.95 1n5r s ALA 24 N 1.52 3.04 0.27 3.13 0.00 -0.00 -4.95 121.76 124.76 1n5r s ALA 24 Ca 0.18 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1n5r s ALA 24 Cb -0.15 -0.77 0.54 0.00 0.00 0.00 0.00 23.12 22.74 1n5r s ALA 24 CO 0.08 0.40 1.62 -1.35 0.00 0.00 0.00 175.76 176.52 1n5r h PRO 25 N 2.55 0.10 -0.41 0.00 0.11 -1.95 -1.36 132.00 131.04 1n5r h PRO 25 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1n5r h PRO 25 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n5r h PRO 25 CO 0.57 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 1n5r n GLY 26 N -1.43 1.11 0.00 -0.55 0.00 -1.26 -5.02 105.19 98.03 1n5r n GLY 26 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 1.26 0.75 3.83 -0.02 0.00 -0.51 -5.08 105.19 105.42 1n5r n GLY 27 Ca 0.16 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.62 3.50 0.07 1.61 0.04 -1.26 -0.82 135.00 136.52 1n5r s PRO 28 Ca 0.00 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.04 1n5r s PRO 28 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1n5r s PRO 28 CO 0.00 -0.65 -0.06 0.14 0.04 0.00 0.00 177.00 176.47 1n5r s VAL 29 N -2.76 0.56 -0.13 -0.36 -7.23 0.18 -3.66 120.40 107.00 1n5r s VAL 29 Ca 0.59 -1.63 -0.12 0.00 -1.81 0.00 0.00 61.98 59.02 1n5r s VAL 29 Cb -0.13 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 1n5r s VAL 29 CO 0.42 -0.73 0.25 -0.44 -0.31 0.00 0.00 175.10 174.29 1n5r s SER 30 N -2.54 6.45 -0.05 4.85 0.01 0.57 -0.33 113.70 122.66 1n5r s SER 30 Ca 0.04 0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.86 1n5r s SER 30 Cb 0.01 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1n5r s SER 30 CO -0.04 0.21 -0.14 0.00 0.41 0.00 0.00 173.24 173.68 1n5r s ALA 31 N -0.10 1.32 -0.35 1.44 0.00 0.04 -1.21 121.76 122.90 1n5r s ALA 31 Ca 0.16 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1n5r s ALA 31 Cb -0.13 -0.51 0.10 0.00 0.00 0.00 0.00 23.12 22.59 1n5r s ALA 31 CO 0.04 0.19 0.07 -0.06 0.00 0.00 0.00 175.76 176.00 1n5r s PHE 32 N 0.32 3.55 -0.03 0.00 0.40 0.66 -0.65 117.98 122.24 1n5r s PHE 32 Ca -0.08 -2.91 0.00 0.00 -0.60 0.00 0.00 56.93 53.34 1n5r s PHE 32 Cb -0.13 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 1n5r s PHE 32 CO 0.03 -0.93 0.01 -0.51 0.70 0.00 0.00 175.22 174.52 1n5r s LEU 33 N 0.90 3.58 -0.34 -0.37 1.43 0.23 -0.90 118.68 123.22 1n5r s LEU 33 Ca 0.11 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1n5r s LEU 33 Cb -0.19 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.05 1n5r s LEU 33 CO -0.09 0.31 0.21 0.61 0.23 0.00 0.00 176.35 177.63 1n5r n GLY 34 N 1.63 0.51 3.67 -3.19 0.00 -1.13 -3.74 105.19 102.94 1n5r n GLY 34 Ca -0.16 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.89 4.81 0.13 -0.61 1.01 -0.09 -4.79 121.20 118.78 1n5r s ILE 35 Ca 0.11 1.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.26 1n5r s ILE 35 Cb -0.05 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 1n5r s ILE 35 CO 0.13 -0.03 1.22 -2.16 0.00 0.00 0.00 174.94 174.10 1n5r s PRO 36 N 2.37 4.45 0.00 2.79 0.04 -1.26 0.16 135.00 143.54 1n5r s PRO 36 Ca 0.42 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1n5r s PRO 36 Cb -0.17 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1n5r s PRO 36 CO 0.12 -0.19 0.50 1.97 0.04 0.00 0.00 177.00 179.44 1n5r n PHE 37 N 3.21 0.00 -3.77 0.56 1.16 -1.03 -4.86 117.46 112.74 1n5r n PHE 37 Ca 0.07 -0.02 -0.10 0.00 -1.87 0.00 0.00 57.45 55.53 1n5r n PHE 37 Cb 0.45 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.25 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 -0.05 -0.52 0.30 1.98 0.00 -1.25 -2.88 121.76 119.35 1n5r s ALA 38 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 1n5r s ALA 38 Cb 0.00 0.52 -0.10 0.00 0.00 0.00 0.00 23.12 23.54 1n5r s ALA 38 CO 0.00 -0.53 1.19 -1.21 0.00 0.00 0.00 175.76 175.21 1n5r s GLU 39 N -3.61 4.51 -0.17 0.00 0.41 -0.03 -4.43 118.70 115.37 1n5r s GLU 39 Ca 0.03 1.99 -0.39 0.00 -0.41 0.00 0.00 54.97 56.19 1n5r s GLU 39 Cb 0.03 -3.13 -0.16 0.00 -1.78 0.00 0.00 34.13 29.09 1n5r s GLU 39 CO -0.10 0.03 1.63 -2.30 -0.49 0.00 0.00 175.26 174.03 1n5r n PRO 40 N 1.00 1.17 -1.34 0.39 -0.02 -1.26 -4.67 135.00 130.28 1n5r n PRO 40 Ca -0.01 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1n5r n PRO 40 Cb 0.43 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 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 4.60 3.46 -3.51 0.52 -0.04 -1.26 -4.91 135.00 133.86 1n5r n PRO 41 Ca 0.24 -2.14 -0.21 0.00 -0.04 0.00 0.00 63.50 61.35 1n5r n PRO 41 Cb 0.15 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 30.98 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 1.40 2.59 0.00 0.52 -7.23 -1.26 -3.54 120.40 112.88 1n5r s VAL 42 Ca 0.67 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1n5r s VAL 42 Cb 0.21 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 34.25 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 -1.62 3.49 0.08 2.32 0.00 -1.26 -0.02 105.19 108.18 1n5r n GLY 43 Ca 0.04 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 5.86 0.32 -0.34 1.61 3.41 -1.26 -2.02 113.62 121.20 1n5r n SER 44 Ca 0.00 0.62 0.14 0.00 -0.26 0.00 0.00 58.87 59.36 1n5r n SER 44 Cb 0.00 -0.67 0.48 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.89 1.22 -1.90 4.33 1.74 0.96 -4.83 116.66 116.29 1n5r n ARG 45 Ca 0.01 -0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 56.00 1n5r n ARG 45 Cb 0.09 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.25 4.19 0.00 5.56 3.52 -0.86 -1.62 118.95 127.49 1n5r s ARG 46 Ca 0.32 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.38 1n5r s ARG 46 Cb 0.20 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1n5r s ARG 46 CO 0.42 -0.45 0.00 1.19 -0.81 0.00 0.00 175.30 175.65 1n5r n PHE 47 N 0.97 0.00 -3.71 5.12 3.72 -1.26 -4.95 117.46 117.35 1n5r n PHE 47 Ca 0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.16 1n5r n PHE 47 Cb 0.40 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 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 -0.13 3.50 0.64 -1.08 -1.94 -0.64 -4.32 119.30 115.33 1n5r s MET 48 Ca 0.00 -0.42 -0.18 0.00 -1.71 0.00 0.00 55.69 53.39 1n5r s MET 48 Cb 0.00 -2.83 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1n5r s MET 48 CO 0.00 0.38 0.99 -2.30 -0.01 0.00 0.00 175.02 174.08 1n5r n PRO 49 N -0.89 0.81 -2.61 2.03 -0.02 -1.26 -4.94 135.00 128.12 1n5r n PRO 49 Ca -0.05 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 1n5r n PRO 49 Cb 0.55 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.96 3.98 -0.04 0.52 0.04 -1.26 -5.06 135.00 130.22 1n5r s PRO 50 Ca 0.77 1.18 0.02 0.00 0.04 0.00 0.00 61.00 63.00 1n5r s PRO 50 Cb -0.39 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1n5r s PRO 50 CO 0.46 -0.26 -0.07 -1.21 0.04 0.00 0.00 177.00 175.97 1n5r s GLU 51 N -3.41 2.67 0.42 4.56 2.02 -1.26 -5.03 118.70 118.68 1n5r s GLU 51 Ca 0.63 -0.62 -0.25 0.00 0.02 0.00 0.00 54.97 54.75 1n5r s GLU 51 Cb -0.12 -2.55 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 1n5r s GLU 51 CO 0.20 0.64 1.28 -2.30 0.02 0.00 0.00 175.26 175.10 1n5r n PRO 52 N 1.96 1.94 -1.76 0.39 -0.02 -1.26 -0.85 135.00 135.40 1n5r n PRO 52 Ca -0.17 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1n5r n PRO 52 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1n5r n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1n5r s LYS 53 N -2.23 4.14 0.34 -0.52 2.47 -1.14 -4.11 119.74 118.69 1n5r s LYS 53 Ca 0.61 2.58 -0.26 0.00 -1.56 0.00 0.00 55.97 57.33 1n5r s LYS 53 Cb -0.50 -3.08 -0.09 0.00 -1.46 0.00 0.00 37.83 32.69 1n5r s LYS 53 CO 0.58 -0.73 1.02 1.03 0.16 0.00 0.00 175.35 177.41 1n5r s ARG 54 N 1.12 4.44 0.51 4.03 0.52 -1.26 -4.92 118.95 123.39 1n5r s ARG 54 Ca 0.74 1.53 -0.21 0.00 -0.52 0.00 0.00 55.73 57.27 1n5r s ARG 54 Cb -0.49 -2.82 -0.08 0.00 0.52 0.00 0.00 34.95 32.08 1n5r s ARG 54 CO 0.32 0.11 0.85 -2.30 0.02 0.00 0.00 175.30 174.30 1n5r n PRO 55 N 0.51 0.96 -4.34 3.54 -0.02 -1.26 -5.00 135.00 129.39 1n5r n PRO 55 Ca 0.02 0.36 -0.26 0.00 -2.02 0.00 0.00 63.50 61.60 1n5r n PRO 55 Cb 0.48 -1.96 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 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 -1.47 2.56 0.14 6.00 -2.14 0.02 -5.04 118.94 119.02 1n5r s TRP 56 Ca 0.68 -0.55 0.05 0.00 2.66 0.00 0.00 56.10 58.94 1n5r s TRP 56 Cb -0.49 -1.74 -0.04 0.00 -3.10 0.00 0.00 33.47 28.10 1n5r s TRP 56 CO 0.53 0.36 0.05 -1.54 -2.66 0.00 0.00 176.95 173.70 1n5r s SER 57 N -3.78 5.14 0.00 -2.66 1.04 -1.26 -4.64 113.70 107.54 1n5r s SER 57 Ca 0.37 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1n5r s SER 57 Cb 0.04 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.92 1n5r s SER 57 CO 0.20 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.15 1n5r n GLY 58 N 0.06 -1.99 3.46 7.32 0.00 -1.26 -4.75 105.19 108.03 1n5r n GLY 58 Ca -0.09 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 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 4.95 0.08 1.61 1.01 -1.26 -3.84 120.40 122.95 1n5r s VAL 59 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1n5r s VAL 59 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1n5r s VAL 59 CO 0.00 -0.08 1.17 -0.22 0.00 0.00 0.00 175.10 175.97 1n5r s LEU 60 N 1.65 4.39 -0.30 3.92 0.20 0.13 -4.85 118.68 123.82 1n5r s LEU 60 Ca 0.05 2.02 -0.29 0.00 0.69 0.00 0.00 54.13 56.60 1n5r s LEU 60 Cb -0.18 -3.58 0.01 0.00 -0.43 0.00 0.00 46.19 42.01 1n5r s LEU 60 CO 0.08 -0.41 1.17 -0.62 -0.29 0.00 0.00 176.35 176.29 1n5r s ASP 61 N 0.81 6.84 -0.52 3.68 -1.08 -1.26 -1.38 116.67 123.76 1n5r s ASP 61 Ca 0.56 1.16 0.05 0.00 -0.52 0.00 0.00 52.55 53.80 1n5r s ASP 61 Cb -0.29 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.02 1n5r s ASP 61 CO 0.31 -0.94 1.13 0.00 0.52 0.00 0.00 175.17 176.18 1n5r n ALA 62 N 7.11 5.06 0.62 3.66 0.00 0.92 -4.73 120.51 133.15 1n5r n ALA 62 Ca 0.13 -4.44 0.07 0.00 0.00 0.00 0.00 53.44 49.20 1n5r n ALA 62 Cb 0.47 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 -0.41 0.00 -4.03 0.00 -2.24 -1.25 -0.60 114.28 105.77 1n5r n THR 63 Ca 0.38 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1n5r n THR 63 Cb 0.55 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.83 1n5r n THR 63 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n5r s THR 64 N -1.77 0.16 0.46 4.28 -4.23 -1.26 -4.86 115.64 108.43 1n5r s THR 64 Ca 0.11 -1.36 -0.24 0.00 -1.18 0.00 0.00 61.69 59.03 1n5r s THR 64 Cb 0.11 -0.93 -0.07 0.00 1.34 0.00 0.00 72.50 72.95 1n5r s THR 64 CO 0.37 -0.75 1.25 -0.36 -0.54 0.00 0.00 174.62 174.59 1n5r s PHE 65 N -2.76 2.75 0.63 3.99 0.08 -1.26 -3.45 117.98 117.97 1n5r s PHE 65 Ca -0.04 1.47 -0.02 0.00 0.12 0.00 0.00 56.93 58.46 1n5r s PHE 65 Cb -0.00 -3.56 0.13 0.00 -0.57 0.00 0.00 43.02 39.02 1n5r s PHE 65 CO -0.06 -1.95 0.87 1.04 -0.10 0.00 0.00 175.22 175.02 1n5r n GLN 66 N -0.36 -0.15 -1.32 0.44 1.13 -1.26 -4.90 117.38 110.97 1n5r n GLN 66 Ca 0.07 -2.17 -0.36 0.00 -1.94 0.00 0.00 57.00 52.59 1n5r n GLN 66 Cb 0.46 -0.64 0.07 0.00 0.11 0.00 0.00 30.24 30.24 1n5r n GLN 66 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n5r n ASN 67 N -3.04 -0.65 -4.86 1.08 3.02 -1.26 -4.82 115.26 104.73 1n5r n ASN 67 Ca 0.14 0.63 -0.36 0.00 -0.03 0.00 0.00 54.58 54.96 1n5r n ASN 67 Cb 0.49 -1.27 -0.06 0.00 -0.61 0.00 0.00 39.78 38.33 1n5r n ASN 67 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n5r s VAL 68 N -1.85 5.16 0.37 2.41 1.01 0.16 -4.73 120.40 122.92 1n5r s VAL 68 Ca 0.68 0.50 -0.28 0.00 0.00 0.00 0.00 61.98 62.89 1n5r s VAL 68 Cb -0.36 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 1n5r s VAL 68 CO 0.55 0.44 1.45 0.00 0.00 0.00 0.00 175.10 177.53 1n5r n TYR 70 N 0.46 2.00 -3.75 0.00 9.36 -0.96 -4.66 117.16 119.61 1n5r n TYR 70 Ca 0.01 0.38 -0.09 0.00 3.32 0.00 0.00 57.90 61.53 1n5r n TYR 70 Cb 0.40 -2.48 -0.03 0.00 -0.63 0.00 0.00 39.34 36.60 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 1.63 1.58 0.31 2.98 -2.07 -1.26 -4.68 119.66 118.15 1n5r s GLN 71 Ca 0.86 -0.87 -0.29 0.00 -1.82 0.00 0.00 55.36 53.24 1n5r s GLN 71 Cb -0.83 0.58 -0.10 0.00 -1.09 0.00 0.00 33.01 31.57 1n5r s GLN 71 CO 0.47 -0.71 1.27 -0.47 -1.32 0.00 0.00 175.29 174.53 1n5r s TYR 72 N -3.88 3.17 -0.19 9.60 6.14 -1.26 -5.02 117.35 125.91 1n5r s TYR 72 Ca 0.09 1.44 -0.04 0.00 0.64 0.00 0.00 57.07 59.20 1n5r s TYR 72 Cb -0.04 -3.60 -0.02 0.00 0.42 0.00 0.00 41.96 38.72 1n5r s TYR 72 CO 0.01 -1.63 -0.03 0.08 0.64 0.00 0.00 175.55 174.62 1n5r s VAL 73 N -0.99 3.73 0.07 3.14 1.01 -1.26 -4.91 120.40 121.18 1n5r s VAL 73 Ca 0.49 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1n5r s VAL 73 Cb -0.38 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1n5r s VAL 73 CO 0.49 0.44 1.40 -0.62 0.00 0.00 0.00 175.10 176.81 1n5r s ASP 74 N 0.96 6.83 -0.00 3.32 2.15 -1.26 -4.89 116.67 123.77 1n5r s ASP 74 Ca 0.01 2.25 0.01 0.00 0.43 0.00 0.00 52.55 55.25 1n5r s ASP 74 Cb -0.14 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.91 1n5r s ASP 74 CO 0.01 -0.68 0.84 0.35 -0.17 0.00 0.00 175.17 175.52 1n5r n THR 75 N 4.21 0.67 -0.23 1.71 -2.24 -1.26 -4.83 114.28 112.32 1n5r n THR 75 Ca 0.12 -0.69 0.03 0.00 -2.27 0.00 0.00 64.05 61.25 1n5r n THR 75 Cb 0.43 0.64 0.14 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.11 -6.54 3.22 5.85 -2.02 -3.27 115.31 112.44 1n5r h LEU 76 Ca 0.00 0.15 -0.60 0.00 0.84 0.00 0.00 57.88 58.27 1n5r h LEU 76 Cb 0.70 0.23 -0.41 0.00 0.37 0.00 0.00 40.66 41.55 1n5r h LEU 76 CO 0.00 -0.07 -0.75 -1.22 -0.34 0.00 0.00 178.44 176.06 1n5r n TYR 77 N -5.21 1.84 -1.66 1.25 4.01 -1.26 -5.10 117.16 111.03 1n5r n TYR 77 Ca 0.12 -3.93 -0.57 0.00 -0.16 0.00 0.00 57.90 53.36 1n5r n TYR 77 Cb 0.41 -0.36 -0.07 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.82 1.02 0.00 -0.72 -0.02 -1.24 -1.84 135.00 134.01 1n5r n PRO 78 Ca 0.25 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1n5r n PRO 78 Cb 0.42 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 3.50 2.03 3.66 -1.23 0.00 -1.26 -5.02 105.19 106.86 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 -2.42 3.17 0.35 1.61 5.36 -0.77 -4.95 117.98 120.34 1n5r s PHE 80 Ca 0.00 1.30 0.06 0.00 -0.96 0.00 0.00 56.93 57.33 1n5r s PHE 80 Cb 0.00 -3.38 0.72 0.00 -0.34 0.00 0.00 43.02 40.02 1n5r s PHE 80 CO 0.00 -0.88 1.92 1.49 -1.46 0.00 0.00 175.22 176.29 1n5r h GLU 81 N 7.75 0.77 -0.77 10.12 4.57 -1.96 -0.01 114.58 135.05 1n5r h GLU 81 Ca -0.21 -0.05 0.17 0.00 -1.18 0.00 0.00 59.36 58.09 1n5r h GLU 81 Cb 1.07 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.44 1n5r h GLU 81 CO 0.98 0.51 0.52 0.78 -1.18 0.00 0.00 179.01 180.63 1n5r h GLY 82 N 0.80 0.57 0.00 1.92 0.00 -1.92 -1.28 103.07 103.16 1n5r h GLY 82 Ca 0.37 -0.14 -0.31 0.00 0.00 0.00 0.00 47.33 47.25 1n5r h GLY 82 CO -0.14 0.03 -2.17 -1.30 0.00 0.00 0.00 176.54 172.96 1n5r n THR 83 N -4.45 1.17 -0.10 4.70 -2.24 -0.81 -4.57 114.28 107.98 1n5r n THR 83 Ca 0.15 -0.59 -0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1n5r n THR 83 Cb 0.63 -0.89 0.27 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 0.75 0.00 -0.78 4.39 -0.82 -2.37 114.58 115.75 1n5r h GLU 84 Ca -0.46 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1n5r h GLU 84 Cb 1.88 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 1n5r h GLU 84 CO -0.02 0.62 0.13 0.00 -1.16 0.00 0.00 179.01 178.58 1n5r h MET 85 N 0.74 0.00 -0.01 2.33 -0.00 -1.48 -0.29 114.93 116.23 1n5r h MET 85 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.88 1n5r h MET 85 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 1n5r h MET 85 CO -0.02 0.00 -0.76 0.91 -0.00 0.00 0.00 176.91 177.04 1n5r n TRP 86 N -2.89 0.00 -1.56 -0.10 7.02 -0.89 -4.79 117.44 114.23 1n5r n TRP 86 Ca -0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.14 1n5r n TRP 86 Cb 0.19 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.14 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 -2.76 5.09 0.40 -0.99 0.01 -0.12 -4.69 114.94 111.87 1n5r s ASN 87 Ca 0.13 1.77 -0.26 0.00 -0.71 0.00 0.00 52.86 53.79 1n5r s ASN 87 Cb 0.17 -2.52 -0.11 0.00 0.41 0.00 0.00 41.25 39.21 1n5r s ASN 87 CO 0.73 -1.64 1.29 -2.65 -1.51 0.00 0.00 177.10 173.33 1n5r n PRO 88 N -3.00 2.04 -0.06 -0.60 -0.02 -1.26 -4.89 135.00 127.20 1n5r n PRO 88 Ca 0.09 0.72 0.07 0.00 -2.02 0.00 0.00 63.50 62.36 1n5r n PRO 88 Cb 0.53 -2.39 0.10 0.00 -0.02 0.00 0.00 33.50 31.72 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 0.38 2.31 -3.98 2.55 6.94 -1.26 -5.00 115.26 117.19 1n5r n ASN 89 Ca 0.06 -2.73 -0.10 0.00 -0.02 0.00 0.00 54.58 51.79 1n5r n ASN 89 Cb 0.39 -0.30 -0.06 0.00 -2.36 0.00 0.00 39.78 37.45 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 -2.26 1.38 0.36 -3.83 1.81 -1.26 -5.08 118.95 110.07 1n5r s ARG 90 Ca 0.22 -1.22 -0.28 0.00 -1.72 0.00 0.00 55.73 52.73 1n5r s ARG 90 Cb 0.19 0.43 -0.12 0.00 -0.45 0.00 0.00 34.95 35.01 1n5r s ARG 90 CO 0.02 -0.55 1.35 -1.91 -0.68 0.00 0.00 175.30 173.53 1n5r n GLU 91 N -0.32 2.27 -2.83 3.54 2.13 -1.26 -4.42 120.64 119.76 1n5r n GLU 91 Ca -0.04 0.80 -0.41 0.00 0.66 0.00 0.00 57.16 58.17 1n5r n GLU 91 Cb 0.63 -2.44 -0.04 0.00 0.27 0.00 0.00 31.44 29.86 1n5r n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1n5r s LEU 92 N -1.41 4.42 -0.07 4.31 1.43 -1.26 -0.67 118.68 125.43 1n5r s LEU 92 Ca 0.55 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 1n5r s LEU 92 Cb -0.53 -3.43 0.09 0.00 0.03 0.00 0.00 46.19 42.36 1n5r s LEU 92 CO 0.62 -0.11 0.81 -0.55 0.23 0.00 0.00 176.35 177.36 1n5r s SER 93 N 0.40 -0.52 0.29 2.29 0.15 -0.35 -4.88 113.70 111.08 1n5r s SER 93 Ca 0.45 0.49 0.26 0.00 0.70 0.00 0.00 55.95 57.85 1n5r s SER 93 Cb -0.21 0.44 0.84 0.00 -1.71 0.00 0.00 66.02 65.38 1n5r s SER 93 CO 0.26 -0.53 1.75 -0.33 1.20 0.00 0.00 173.24 175.59 1n5r h GLU 94 N 2.68 0.00 -4.81 5.44 5.08 -1.94 -2.55 114.58 118.49 1n5r h GLU 94 Ca -0.24 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.41 1n5r h GLU 94 Cb 1.17 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.23 1n5r h GLU 94 CO 0.35 0.00 1.00 0.34 -1.00 0.00 0.00 179.01 179.70 1n5r s ASP 95 N -4.83 6.84 0.00 1.42 2.15 -1.26 -4.24 116.67 116.75 1n5r s ASP 95 Ca 0.07 -2.52 0.00 0.00 0.43 0.00 0.00 52.55 50.53 1n5r s ASP 95 Cb 0.10 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1n5r s ASP 95 CO 0.55 -0.88 0.44 0.00 -0.17 0.00 0.00 175.17 175.10 1n5r s LEU 97 N -0.10 3.94 0.10 0.00 1.43 -1.26 -4.64 118.68 118.15 1n5r s LEU 97 Ca 0.00 -2.12 0.03 0.00 -1.03 0.00 0.00 54.13 51.00 1n5r s LEU 97 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1n5r s LEU 97 CO 0.00 -1.24 -0.08 -0.31 0.23 0.00 0.00 176.35 174.95 1n5r s TYR 98 N 4.10 0.95 0.23 0.29 2.02 -1.26 -2.47 117.35 121.21 1n5r s TYR 98 Ca 0.48 -0.81 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1n5r s TYR 98 Cb 0.01 -0.53 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 1n5r s TYR 98 CO -0.01 -0.08 0.05 -0.48 -1.57 0.00 0.00 175.55 173.46 1n5r s LEU 99 N -2.82 1.90 0.08 -1.29 0.05 0.12 -1.50 118.68 115.22 1n5r s LEU 99 Ca 0.09 -1.29 0.07 0.00 0.05 0.00 0.00 54.13 53.05 1n5r s LEU 99 Cb 0.02 -0.07 -0.03 0.00 -2.05 0.00 0.00 46.19 44.06 1n5r s LEU 99 CO -0.03 -0.64 -0.18 0.20 -0.55 0.00 0.00 176.35 175.15 1n5r s ASN 100 N -3.27 2.20 -0.05 1.48 0.01 0.15 -0.91 114.94 114.55 1n5r s ASN 100 Ca 0.32 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.85 1n5r s ASN 100 Cb 0.07 -0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.63 1n5r s ASN 100 CO 0.10 0.03 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.94 1n5r s VAL 101 N -1.13 0.79 -0.05 1.60 1.01 -0.07 -1.64 120.40 120.91 1n5r s VAL 101 Ca 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1n5r s VAL 101 Cb -0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1n5r s VAL 101 CO 0.03 0.27 -0.24 0.26 0.00 0.00 0.00 175.10 175.42 1n5r s TRP 102 N 0.66 2.32 0.13 5.22 0.51 -0.01 -0.24 118.94 127.53 1n5r s TRP 102 Ca -0.11 -0.62 -0.08 0.00 -2.12 0.00 0.00 56.10 53.17 1n5r s TRP 102 Cb -0.14 -1.52 -0.01 0.00 -0.81 0.00 0.00 33.47 31.00 1n5r s TRP 102 CO 0.02 -0.16 0.24 0.95 -0.51 0.00 0.00 176.95 177.48 1n5r s THR 103 N -0.27 0.10 0.93 2.01 -4.23 -0.35 -0.99 115.64 112.83 1n5r s THR 103 Ca 0.00 -1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 59.08 1n5r s THR 103 Cb -0.12 -1.65 0.12 0.00 1.34 0.00 0.00 72.50 72.18 1n5r s THR 103 CO 0.02 -0.44 0.96 -2.65 -0.54 0.00 0.00 174.62 171.97 1n5r n PRO 104 N -0.15 -0.43 -3.90 3.99 -0.02 -1.26 -0.31 135.00 132.91 1n5r n PRO 104 Ca -0.10 -0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.04 1n5r n PRO 104 Cb 0.63 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 1n5r n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1n5r s TYR 105 N -2.58 1.61 0.78 6.00 5.04 -1.24 -2.78 117.35 124.19 1n5r s TYR 105 Ca 0.64 -0.93 -0.11 0.00 -2.44 0.00 0.00 57.07 54.23 1n5r s TYR 105 Cb -0.23 -1.29 0.06 0.00 0.35 0.00 0.00 41.96 40.86 1n5r s TYR 105 CO 0.60 -0.57 1.08 -1.25 -1.34 0.00 0.00 175.55 174.08 1n5r s PRO 106 N 1.66 2.22 0.28 4.97 0.04 -1.26 -4.78 135.00 138.13 1n5r s PRO 106 Ca 0.03 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 1n5r s PRO 106 Cb -0.14 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 1n5r s PRO 106 CO -0.08 -1.59 1.13 0.54 0.04 0.00 0.00 177.00 177.04 1n5r n ARG 107 N -3.45 1.59 -1.53 4.56 1.74 -1.12 -4.86 116.66 113.59 1n5r n ARG 107 Ca 0.08 0.56 -0.46 0.00 -0.77 0.00 0.00 57.85 57.26 1n5r n ARG 107 Cb 0.54 -2.02 -0.02 0.00 -1.02 0.00 0.00 32.46 29.95 1n5r n ARG 107 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1n5r n PRO 108 N 0.93 0.92 -0.05 5.56 -0.04 -1.26 -4.94 135.00 136.11 1n5r n PRO 108 Ca 0.09 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.74 1n5r n PRO 108 Cb 0.32 -1.58 -0.07 0.00 -0.04 0.00 0.00 33.50 32.13 1n5r n PRO 108 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n5r h ALA 109 N 1.66 0.19 -2.40 0.55 0.00 -1.93 -3.45 119.26 113.89 1n5r h ALA 109 Ca -0.36 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 53.66 1n5r h ALA 109 Cb 1.37 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1n5r h ALA 109 CO 0.59 0.07 -0.63 -1.54 0.00 0.00 0.00 179.25 177.74 1n5r s SER 110 N -6.11 4.78 -0.25 0.00 1.04 -1.26 -5.06 113.70 106.84 1n5r s SER 110 Ca -0.14 -0.51 -0.39 0.00 0.48 0.00 0.00 55.95 55.39 1n5r s SER 110 Cb 0.05 -0.99 -0.15 0.00 0.10 0.00 0.00 66.02 65.03 1n5r s SER 110 CO 0.75 0.02 1.80 -2.65 0.98 0.00 0.00 173.24 174.14 1n5r n PRO 111 N -0.72 1.33 -4.15 4.02 -0.02 -1.26 -4.88 135.00 129.32 1n5r n PRO 111 Ca -0.08 0.48 -0.36 0.00 -2.02 0.00 0.00 63.50 61.53 1n5r n PRO 111 Cb 0.58 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 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 3.87 4.85 0.29 3.45 2.01 0.35 -4.66 115.64 125.79 1n5r s THR 112 Ca 0.98 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 1n5r s THR 112 Cb -1.00 -3.08 -0.13 0.00 0.01 0.00 0.00 72.50 68.30 1n5r s THR 112 CO 0.63 0.61 1.30 -2.65 -0.69 0.00 0.00 174.62 173.82 1n5r n PRO 113 N 2.13 1.98 -3.86 4.92 -0.02 -1.26 -0.17 135.00 138.71 1n5r n PRO 113 Ca -0.19 0.70 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 1n5r n PRO 113 Cb 0.54 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1n5r n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n5r s VAL 114 N -0.64 5.30 -0.18 -1.45 1.01 0.59 -3.22 120.40 121.82 1n5r s VAL 114 Ca 0.61 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 1n5r s VAL 114 Cb -0.62 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1n5r s VAL 114 CO 0.56 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 175.36 1n5r s LEU 115 N -0.21 2.98 -0.21 3.92 1.43 -0.26 -0.69 118.68 125.64 1n5r s LEU 115 Ca 0.10 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1n5r s LEU 115 Cb -0.12 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1n5r s LEU 115 CO 0.01 0.09 -0.10 -0.63 0.23 0.00 0.00 176.35 175.95 1n5r s ILE 116 N 0.81 2.88 -0.07 -0.59 1.01 0.72 -0.67 121.20 125.29 1n5r s ILE 116 Ca -0.02 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 1n5r s ILE 116 Cb -0.15 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1n5r s ILE 116 CO 0.01 0.45 0.44 0.86 0.00 0.00 0.00 174.94 176.70 1n5r s TRP 117 N 1.40 3.61 -0.25 3.97 -0.11 0.10 -0.78 118.94 126.88 1n5r s TRP 117 Ca 0.05 0.92 0.02 0.00 1.22 0.00 0.00 56.10 58.32 1n5r s TRP 117 Cb -0.14 -2.42 0.06 0.00 -1.50 0.00 0.00 33.47 29.47 1n5r s TRP 117 CO -0.07 0.39 -0.09 0.42 -4.62 0.00 0.00 176.95 172.98 1n5r s ILE 118 N -0.16 1.94 0.75 5.86 1.01 -0.07 -3.85 121.20 126.68 1n5r s ILE 118 Ca 0.24 -1.48 -0.13 0.00 0.00 0.00 0.00 60.65 59.28 1n5r s ILE 118 Cb -0.16 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.26 1n5r s ILE 118 CO 0.11 -0.05 1.13 -0.72 0.00 0.00 0.00 174.94 175.41 1n5r s TYR 119 N 1.21 2.34 0.02 3.97 -0.85 -1.26 -3.54 117.35 119.23 1n5r s TYR 119 Ca -0.08 1.60 0.00 0.00 -0.52 0.00 0.00 57.07 58.08 1n5r s TYR 119 Cb -0.20 -3.21 0.00 0.00 0.38 0.00 0.00 41.96 38.94 1n5r s TYR 119 CO -0.05 -2.08 0.03 0.41 -1.52 0.00 0.00 175.55 172.33 1n5r n GLY 120 N -0.48 1.91 0.00 5.49 0.00 -1.18 -3.02 105.19 107.91 1n5r n GLY 120 Ca 0.11 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 4.78 0.44 2.25 -0.02 0.00 -1.25 -4.18 105.19 107.20 1n5r n GLY 121 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.80 2.68 -0.02 0.00 -1.26 -1.17 105.19 106.22 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 -2.53 0.00 -0.11 1.61 3.72 -1.26 -4.75 117.46 114.13 1n5r n PHE 123 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1n5r n PHE 123 Cb 0.54 -1.24 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 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 -2.35 0.00 -3.84 1.38 0.18 -0.32 0.13 117.16 112.34 1n5r n TYR 124 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 1n5r n TYR 124 Cb 0.30 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.26 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 -0.18 0.02 0.00 9.48 1.04 -0.37 -4.07 113.70 119.62 1n5r s SER 125 Ca 0.00 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1n5r s SER 125 Cb 0.00 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1n5r s SER 125 CO 0.00 -1.58 0.00 0.61 0.98 0.00 0.00 173.24 173.25 1n5r n GLY 126 N -0.52 2.87 3.60 7.32 0.00 -1.26 -3.97 105.19 113.23 1n5r n GLY 126 Ca -0.07 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.23 -1.94 -1.70 4.61 0.00 -1.26 -4.67 121.76 114.57 1n5r s ALA 127 Ca 0.00 1.70 0.30 0.00 0.00 0.00 0.00 51.96 53.96 1n5r s ALA 127 Cb 0.00 -0.98 1.49 0.00 0.00 0.00 0.00 23.12 23.63 1n5r s ALA 127 CO 0.00 -0.28 2.01 0.00 0.00 0.00 0.00 175.76 177.49 1n5r n ALA 128 N 1.41 2.64 1.12 0.00 0.00 -1.26 -3.57 120.51 120.85 1n5r n ALA 128 Ca -0.12 -0.22 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1n5r n ALA 128 Cb 0.57 -1.43 0.33 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.02 2.25 -4.76 0.00 3.41 -1.26 -4.85 113.62 107.39 1n5r n SER 129 Ca 0.17 -1.76 -0.37 0.00 -0.26 0.00 0.00 58.87 56.65 1n5r n SER 129 Cb 0.23 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.83 3.80 0.43 1.04 1.43 -1.23 -4.92 118.68 117.39 1n5r s LEU 130 Ca 0.34 2.48 0.11 0.00 -1.03 0.00 0.00 54.13 56.04 1n5r s LEU 130 Cb 0.20 -4.42 0.97 0.00 0.03 0.00 0.00 46.19 42.97 1n5r s LEU 130 CO 0.31 -1.44 2.01 0.44 0.23 0.00 0.00 176.35 177.90 1n5r h ASP 131 N 1.32 0.40 0.59 2.29 3.32 -1.93 -1.49 116.42 120.92 1n5r h ASP 131 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1n5r h ASP 131 Cb 1.29 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1n5r h ASP 131 CO 0.57 0.26 0.00 1.33 -1.72 0.00 0.00 179.24 179.68 1n5r n VAL 132 N -4.47 0.90 -0.65 -1.35 0.24 -1.26 -2.25 118.33 109.49 1n5r n VAL 132 Ca 0.07 0.22 0.08 0.00 -2.04 0.00 0.00 64.34 62.67 1n5r n VAL 132 Cb 0.26 -0.99 0.29 0.00 -1.47 0.00 0.00 33.84 31.92 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 -1.65 1.13 -1.67 6.34 4.01 -0.56 -4.52 117.16 120.23 1n5r n TYR 133 Ca 0.03 -0.67 -0.42 0.00 -0.16 0.00 0.00 57.90 56.68 1n5r n TYR 133 Cb 0.20 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.23 6.03 0.00 7.72 -1.08 -0.95 -4.89 116.67 122.27 1n5r s ASP 134 Ca 0.42 2.29 0.29 0.00 -0.52 0.00 0.00 52.55 55.03 1n5r s ASP 134 Cb 0.29 -2.52 1.52 0.00 -1.46 0.00 0.00 42.92 40.75 1n5r s ASP 134 CO 0.17 -1.44 2.00 0.61 0.52 0.00 0.00 175.17 177.03 1n5r n GLY 135 N 5.05 -0.67 0.29 2.66 0.00 -1.26 -4.28 105.19 106.99 1n5r n GLY 135 Ca 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 0.73 0.61 -0.05 1.61 0.11 -1.90 -2.20 114.38 113.29 1n5r h ARG 136 Ca 0.00 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 59.97 1n5r h ARG 136 Cb 0.16 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.13 1n5r h ARG 136 CO 0.00 0.54 -0.02 0.74 0.10 0.00 0.00 179.97 181.33 1n5r h PHE 137 N 0.60 0.11 -0.78 4.08 0.04 -1.78 0.12 116.94 119.33 1n5r h PHE 137 Ca 0.14 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1n5r h PHE 137 Cb 0.19 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.28 1n5r h PHE 137 CO 0.01 0.49 0.39 -0.07 -0.60 0.00 0.00 178.31 178.54 1n5r h LEU 138 N -0.30 1.00 0.32 1.54 3.38 -1.70 0.13 115.31 119.68 1n5r h LEU 138 Ca 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1n5r h LEU 138 Cb 0.46 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1n5r h LEU 138 CO 0.01 0.83 -0.15 0.00 0.09 0.00 0.00 178.44 179.22 1n5r h ALA 139 N 1.20 -0.43 0.11 1.53 0.00 -1.32 -0.75 119.26 119.60 1n5r h ALA 139 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1n5r h ALA 139 Cb 0.08 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n5r h ALA 139 CO -0.04 -0.72 -0.05 0.37 0.00 0.00 0.00 179.25 178.81 1n5r h GLN 140 N -0.47 -0.14 0.12 0.00 -0.00 -0.62 -0.82 115.11 113.18 1n5r h GLN 140 Ca -0.04 0.01 -0.29 0.00 -0.00 0.00 0.00 58.65 58.33 1n5r h GLN 140 Cb 0.36 0.03 0.02 0.00 0.00 0.00 0.00 27.48 27.89 1n5r h GLN 140 CO 0.07 0.19 -1.22 0.28 0.00 0.00 0.00 178.83 178.15 1n5r h VAL 141 N -0.47 1.33 -0.02 2.39 2.07 -0.82 -3.35 116.25 117.38 1n5r h VAL 141 Ca -0.01 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1n5r h VAL 141 Cb 0.39 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1n5r h VAL 141 CO 0.02 0.77 -0.04 -0.62 0.02 0.00 0.00 177.57 177.73 1n5r n GLU 142 N -3.74 1.42 -2.18 1.57 -0.58 -0.31 -4.97 120.64 111.84 1n5r n GLU 142 Ca -0.12 -1.44 -0.17 0.00 -0.42 0.00 0.00 57.16 55.01 1n5r n GLU 142 Cb 0.98 -1.32 -0.02 0.00 -0.57 0.00 0.00 31.44 30.51 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 0.99 0.02 3.85 0.62 0.00 -0.31 -4.98 105.19 105.38 1n5r n GLY 143 Ca 0.10 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.81 3.21 -0.30 4.61 0.00 -1.12 -4.78 121.76 120.57 1n5r s ALA 144 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 1n5r s ALA 144 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1n5r s ALA 144 CO 0.00 0.03 0.21 0.08 0.00 0.00 0.00 175.76 176.08 1n5r s VAL 145 N -2.32 5.30 -0.06 0.00 1.01 -1.20 -4.10 120.40 119.03 1n5r s VAL 145 Ca 0.56 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1n5r s VAL 145 Cb -0.10 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1n5r s VAL 145 CO 0.25 0.18 -0.18 -0.22 0.00 0.00 0.00 175.10 175.12 1n5r s LEU 146 N 1.76 2.50 -0.02 3.92 0.20 -0.16 -1.10 118.68 125.76 1n5r s LEU 146 Ca 0.07 -0.32 0.05 0.00 0.69 0.00 0.00 54.13 54.61 1n5r s LEU 146 Cb -0.16 -1.49 -0.01 0.00 -0.43 0.00 0.00 46.19 44.09 1n5r s LEU 146 CO 0.11 0.29 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.61 1n5r s VAL 147 N -0.43 1.28 -0.00 1.68 1.01 0.15 -0.83 120.40 123.26 1n5r s VAL 147 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1n5r s VAL 147 Cb -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1n5r s VAL 147 CO 0.02 0.37 -0.01 -0.94 0.00 0.00 0.00 175.10 174.54 1n5r s SER 148 N -0.18 0.14 0.14 3.32 1.04 -0.65 0.03 113.70 117.54 1n5r s SER 148 Ca 0.02 -0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.53 1n5r s SER 148 Cb -0.08 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 1n5r s SER 148 CO 0.00 -0.00 -0.22 0.00 0.98 0.00 0.00 173.24 174.00 1n5r s MET 149 N 0.13 1.30 0.24 4.02 0.23 -1.25 0.34 119.30 124.31 1n5r s MET 149 Ca -0.01 -1.34 -0.18 0.00 -1.03 0.00 0.00 55.69 53.14 1n5r s MET 149 Cb -0.02 -1.59 -0.08 0.00 -1.53 0.00 0.00 34.83 31.60 1n5r s MET 149 CO -0.00 0.36 0.70 -0.80 -2.03 0.00 0.00 175.02 173.25 1n5r s ASN 150 N -2.27 6.96 0.01 -1.18 0.01 -0.56 -4.55 114.94 113.36 1n5r s ASN 150 Ca 0.13 1.34 -0.01 0.00 -0.71 0.00 0.00 52.86 53.61 1n5r s ASN 150 Cb -0.09 -2.39 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 1n5r s ASN 150 CO 0.06 -0.01 0.01 -0.72 -1.51 0.00 0.00 177.10 174.93 1n5r s TYR 151 N -1.62 0.13 0.35 2.20 1.13 -1.26 -4.52 117.35 113.77 1n5r s TYR 151 Ca 0.45 -0.27 -0.29 0.00 -1.41 0.00 0.00 57.07 55.55 1n5r s TYR 151 Cb -0.15 -0.10 -0.11 0.00 -1.10 0.00 0.00 41.96 40.49 1n5r s TYR 151 CO 0.20 -0.14 1.53 0.54 -2.51 0.00 0.00 175.55 175.17 1n5r n ARG 152 N 2.09 2.71 -4.60 -3.49 1.74 -1.26 -4.88 116.66 108.97 1n5r n ARG 152 Ca -0.20 0.96 -0.27 0.00 -0.77 0.00 0.00 57.85 57.56 1n5r n ARG 152 Cb 0.57 -2.71 -0.10 0.00 -1.02 0.00 0.00 32.46 29.20 1n5r n ARG 152 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1n5r s VAL 153 N -0.76 1.45 0.00 1.55 -7.23 -1.26 -4.16 120.40 109.98 1n5r s VAL 153 Ca 0.56 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1n5r s VAL 153 Cb -0.48 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1n5r s VAL 153 CO 0.59 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 1n5r n GLY 154 N -0.97 1.64 0.16 2.32 0.00 0.12 -2.39 105.19 106.07 1n5r n GLY 154 Ca -0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 1.11 -0.93 2.61 1.35 -1.89 0.13 112.91 115.29 1n5r h THR 155 Ca 0.00 -0.25 0.20 0.00 -0.55 0.00 0.00 66.41 65.81 1n5r h THR 155 Cb 0.00 0.65 -0.08 0.00 -1.73 0.00 0.00 68.15 67.00 1n5r h THR 155 CO 0.00 0.11 0.60 -0.26 -0.25 0.00 0.00 175.52 175.72 1n5r h PHE 156 N 0.45 0.67 0.00 4.73 0.04 -1.90 -0.15 116.94 120.79 1n5r h PHE 156 Ca 0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1n5r h PHE 156 Cb -0.01 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.94 1n5r h PHE 156 CO -0.04 0.17 -1.65 0.41 -0.60 0.00 0.00 178.31 176.61 1n5r n GLY 157 N -1.47 -0.86 0.00 -1.45 0.00 -0.99 -4.16 105.19 96.26 1n5r n GLY 157 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 0.00 -2.06 1.61 3.72 0.43 -1.04 117.46 118.12 1n5r n PHE 158 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1n5r n PHE 158 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 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 -0.09 4.37 0.00 4.37 0.20 -0.10 -4.48 118.68 122.95 1n5r s LEU 159 Ca 0.00 2.46 -0.00 0.00 0.69 0.00 0.00 54.13 57.28 1n5r s LEU 159 Cb 0.00 -3.59 -0.01 0.00 -0.43 0.00 0.00 46.19 42.16 1n5r s LEU 159 CO 0.00 -0.73 -0.00 0.00 -0.29 0.00 0.00 176.35 175.33 1n5r s ALA 160 N 1.09 0.02 -0.66 5.97 0.00 -1.26 -4.36 121.76 122.56 1n5r s ALA 160 Ca 0.67 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.48 1n5r s ALA 160 Cb -0.40 0.04 0.16 0.00 0.00 0.00 0.00 23.12 22.92 1n5r s ALA 160 CO 0.31 -0.06 0.44 -0.51 0.00 0.00 0.00 175.76 175.93 1n5r s LEU 161 N -0.54 4.67 -0.13 0.00 1.43 0.04 -3.91 118.68 120.23 1n5r s LEU 161 Ca -0.06 -3.66 -0.41 0.00 -1.03 0.00 0.00 54.13 48.97 1n5r s LEU 161 Cb -0.04 -1.62 -0.18 0.00 0.03 0.00 0.00 46.19 44.37 1n5r s LEU 161 CO -0.00 -0.12 1.37 -2.65 0.23 0.00 0.00 176.35 175.17 1n5r n PRO 162 N 2.24 0.48 0.00 1.29 -0.02 -1.26 -1.03 135.00 136.70 1n5r n PRO 162 Ca 0.16 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1n5r n PRO 162 Cb 0.34 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.75 3.18 3.65 -1.23 0.00 -1.26 -5.05 105.19 107.23 1n5r n GLY 163 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 0.10 2.53 -0.16 1.61 1.04 -0.19 -4.98 113.70 113.66 1n5r s SER 164 Ca 0.00 1.39 0.09 0.00 0.48 0.00 0.00 55.95 57.91 1n5r s SER 164 Cb 0.00 -2.08 -0.23 0.00 0.10 0.00 0.00 66.02 63.81 1n5r s SER 164 CO 0.00 -3.21 0.20 -1.14 0.98 0.00 0.00 173.24 170.07 1n5r n ARG 165 N -4.25 0.68 0.18 4.02 0.63 -1.26 -4.19 116.66 112.47 1n5r n ARG 165 Ca 0.06 0.15 0.12 0.00 -0.92 0.00 0.00 57.85 57.25 1n5r n ARG 165 Cb 0.56 -1.62 0.12 0.00 0.45 0.00 0.00 32.46 31.96 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 -1.40 -0.14 3.07 -1.93 -3.39 114.58 110.79 1n5r h GLU 166 Ca -0.47 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 57.95 1n5r h GLU 166 Cb 2.08 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 29.67 1n5r h GLU 166 CO 0.03 0.01 -0.94 0.00 -1.40 0.00 0.00 179.01 176.71 1n5r n ALA 167 N -2.13 1.25 0.30 3.43 0.00 -1.26 -4.11 120.51 118.00 1n5r n ALA 167 Ca 0.03 -2.81 0.18 0.00 0.00 0.00 0.00 53.44 50.84 1n5r n ALA 167 Cb 0.54 -0.98 0.85 0.00 0.00 0.00 0.00 19.45 19.86 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 3.75 0.00 0.00 0.00 0.13 -1.75 0.14 132.00 134.28 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 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1n5r h PRO 168 CO 0.41 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 1n5r n GLY 169 N -0.48 0.72 2.42 1.56 0.00 -1.26 -4.64 105.19 103.51 1n5r n GLY 169 Ca -0.01 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.62 -5.03 0.25 1.61 3.02 -1.26 -4.86 115.26 108.37 1n5r n ASN 170 Ca 0.00 0.36 0.12 0.00 -0.03 0.00 0.00 54.58 55.03 1n5r n ASN 170 Cb 0.00 -4.42 0.60 0.00 -0.61 0.00 0.00 39.78 35.35 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 0.46 -0.18 2.41 -1.51 -1.84 -1.31 116.25 114.27 1n5r h VAL 171 Ca -0.40 -0.82 -0.11 0.00 -1.23 0.00 0.00 66.70 64.14 1n5r h VAL 171 Cb 1.24 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 31.97 1n5r h VAL 171 CO 0.55 0.15 -0.35 1.23 -1.23 0.00 0.00 177.57 177.92 1n5r h GLY 172 N 1.64 0.42 1.78 5.19 0.00 -1.30 0.17 103.07 110.96 1n5r h GLY 172 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1n5r h GLY 172 CO 0.02 0.35 -0.56 1.41 0.00 0.00 0.00 176.54 177.76 1n5r h LEU 173 N 0.33 0.26 -0.70 3.11 3.38 -1.53 -2.28 115.31 117.88 1n5r h LEU 173 Ca 0.04 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1n5r h LEU 173 Cb 0.78 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1n5r h LEU 173 CO 0.06 0.76 -0.49 -0.07 0.09 0.00 0.00 178.44 178.80 1n5r h LEU 174 N 0.18 0.44 -0.59 1.67 3.38 -0.58 -0.55 115.31 119.27 1n5r h LEU 174 Ca 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1n5r h LEU 174 Cb 1.04 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1n5r h LEU 174 CO 0.09 0.85 0.27 0.44 0.09 0.00 0.00 178.44 180.18 1n5r h ASP 175 N 0.32 0.77 -0.33 -0.43 3.32 -0.40 -0.25 116.42 119.43 1n5r h ASP 175 Ca 0.02 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1n5r h ASP 175 Cb 0.97 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1n5r h ASP 175 CO 0.08 0.70 0.21 1.56 -1.72 0.00 0.00 179.24 180.07 1n5r h GLN 176 N 0.80 0.42 -0.96 3.56 4.20 -0.91 -2.11 115.11 120.12 1n5r h GLN 176 Ca 0.20 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1n5r h GLN 176 Cb 0.13 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 1n5r h GLN 176 CO -0.02 0.28 0.62 -0.09 -0.67 0.00 0.00 178.83 178.94 1n5r h ARG 177 N 0.44 1.27 -0.76 1.46 2.43 -0.72 -0.61 114.38 117.90 1n5r h ARG 177 Ca 0.12 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1n5r h ARG 177 Cb -0.04 -0.28 -0.04 0.00 -0.42 0.00 0.00 29.97 29.19 1n5r h ARG 177 CO -0.03 0.86 0.46 1.25 -1.51 0.00 0.00 179.97 180.99 1n5r h LEU 178 N 1.30 0.91 -1.07 3.80 5.85 -0.66 -0.47 115.31 124.97 1n5r h LEU 178 Ca 0.35 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 1n5r h LEU 178 Cb -0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1n5r h LEU 178 CO -0.07 0.70 -0.10 0.00 -0.34 0.00 0.00 178.44 178.63 1n5r h ALA 179 N 1.25 1.22 -0.32 1.25 0.00 -0.68 0.18 119.26 122.15 1n5r h ALA 179 Ca 0.27 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1n5r h ALA 179 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1n5r h ALA 179 CO -0.05 0.50 -0.18 -0.07 0.00 0.00 0.00 179.25 179.45 1n5r h LEU 180 N 0.51 0.59 -0.42 0.00 3.38 -0.04 -1.11 115.31 118.22 1n5r h LEU 180 Ca 0.10 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1n5r h LEU 180 Cb 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1n5r h LEU 180 CO 0.03 0.78 -0.31 1.56 0.09 0.00 0.00 178.44 180.59 1n5r h GLN 181 N 0.54 0.95 -0.58 1.13 4.20 -0.30 -1.90 115.11 119.14 1n5r h GLN 181 Ca 0.09 -0.46 0.01 0.00 0.06 0.00 0.00 58.65 58.35 1n5r h GLN 181 Cb 0.62 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1n5r h GLN 181 CO 0.04 1.12 0.38 2.35 -0.67 0.00 0.00 178.83 182.06 1n5r h TRP 182 N 0.78 0.70 -0.19 2.96 7.01 -0.35 -1.39 115.95 125.48 1n5r h TRP 182 Ca 0.08 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1n5r h TRP 182 Cb 0.90 -0.24 -0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1n5r h TRP 182 CO 0.06 0.43 -0.18 0.28 -2.79 0.00 0.00 178.44 176.24 1n5r h VAL 183 N 0.75 1.33 -0.83 2.65 2.07 -0.74 -0.83 116.25 120.65 1n5r h VAL 183 Ca 0.22 -1.34 0.13 0.00 0.82 0.00 0.00 66.70 66.53 1n5r h VAL 183 Cb -0.04 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1n5r h VAL 183 CO -0.05 0.40 0.43 1.56 0.02 0.00 0.00 177.57 179.94 1n5r h GLN 184 N 0.13 0.64 0.21 1.57 1.08 -0.65 0.05 115.11 118.12 1n5r h GLN 184 Ca 0.03 -0.04 -0.31 0.00 -1.45 0.00 0.00 58.65 56.88 1n5r h GLN 184 Cb 0.72 -0.14 0.03 0.00 -0.05 0.00 0.00 27.48 28.03 1n5r h GLN 184 CO 0.05 0.42 -1.39 1.49 -0.95 0.00 0.00 178.83 178.45 1n5r h GLU 185 N 0.66 0.43 0.00 1.46 4.81 -1.20 -3.41 114.58 117.33 1n5r h GLU 185 Ca 0.43 -0.74 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1n5r h GLU 185 Cb 0.55 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1n5r h GLU 185 CO -0.33 1.36 -1.11 0.09 -0.73 0.00 0.00 179.01 178.29 1n5r n ASN 186 N -3.64 1.49 0.30 1.04 3.02 -0.33 -4.67 115.26 112.46 1n5r n ASN 186 Ca -0.13 -0.35 0.15 0.00 -0.03 0.00 0.00 54.58 54.22 1n5r n ASN 186 Cb 1.07 1.31 0.92 0.00 -0.61 0.00 0.00 39.78 42.47 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 0.52 -0.11 2.41 6.09 -1.15 -1.21 117.51 124.06 1n5r h ILE 187 Ca 0.00 -0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 1n5r h ILE 187 Cb 0.43 1.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.71 1n5r h ILE 187 CO 0.00 0.00 -0.07 0.00 -3.07 0.00 0.00 178.15 175.01 1n5r h ALA 188 N 2.00 1.67 0.00 0.18 0.00 -1.79 0.04 119.26 121.36 1n5r h ALA 188 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n5r h ALA 188 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n5r h ALA 188 CO 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 1n5r h ALA 189 N 1.77 1.01 -0.12 0.00 0.00 -1.51 -0.46 119.26 119.94 1n5r h ALA 189 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n5r h ALA 189 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n5r h ALA 189 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 1n5r n PHE 190 N -3.10 0.14 -0.26 0.00 3.01 -0.16 -4.89 117.46 112.21 1n5r n PHE 190 Ca -0.03 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1n5r n PHE 190 Cb 0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 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 0.98 0.84 3.86 1.37 0.00 -0.18 -4.55 105.19 107.52 1n5r n GLY 191 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.92 2.33 -0.46 -0.02 0.00 -0.30 -0.50 107.32 106.46 1n5r s GLY 192 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 44.72 44.47 1n5r s GLY 192 CO 0.00 0.11 0.46 -0.35 0.00 0.00 0.00 173.10 173.32 1n5r s ASP 193 N -2.25 6.18 0.34 1.64 -1.08 0.76 -3.27 116.67 118.99 1n5r s ASP 193 Ca 0.50 -0.95 0.25 0.00 -0.52 0.00 0.00 52.55 51.83 1n5r s ASP 193 Cb -0.11 -2.22 1.23 0.00 -1.46 0.00 0.00 42.92 40.36 1n5r s ASP 193 CO 0.19 -0.67 1.75 1.55 0.52 0.00 0.00 175.17 178.51 1n5r h PRO 194 N 8.80 0.00 -0.16 4.34 0.13 -1.89 -1.64 132.00 141.58 1n5r h PRO 194 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1n5r h PRO 194 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1n5r h PRO 194 CO 0.86 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.30 1n5r n MET 195 N -2.36 1.66 -3.36 0.86 2.81 -1.26 -4.40 117.12 111.08 1n5r n MET 195 Ca -0.01 -1.00 -0.25 0.00 -1.81 0.00 0.00 57.70 54.63 1n5r n MET 195 Cb 0.10 -1.37 -0.09 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.53 1.53 -0.22 7.83 0.15 -0.62 -4.94 113.70 115.90 1n5r s SER 196 Ca 0.31 -2.66 0.00 0.00 0.70 0.00 0.00 55.95 54.31 1n5r s SER 196 Cb 0.17 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1n5r s SER 196 CO 0.25 -0.20 -0.13 -0.69 1.20 0.00 0.00 173.24 173.67 1n5r s VAL 197 N 0.46 2.43 -0.18 4.45 1.01 -1.26 -0.30 120.40 127.02 1n5r s VAL 197 Ca 0.28 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1n5r s VAL 197 Cb -0.04 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1n5r s VAL 197 CO -0.13 0.31 -0.01 -0.89 0.00 0.00 0.00 175.10 174.39 1n5r s THR 198 N 1.28 4.08 -0.11 3.92 2.01 0.13 -0.52 115.64 126.42 1n5r s THR 198 Ca 0.01 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.59 1n5r s THR 198 Cb -0.16 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1n5r s THR 198 CO -0.08 0.46 0.32 -0.76 -0.69 0.00 0.00 174.62 173.87 1n5r s LEU 199 N 0.57 4.32 0.03 4.42 1.43 -0.45 -0.20 118.68 128.80 1n5r s LEU 199 Ca -0.01 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1n5r s LEU 199 Cb -0.14 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1n5r s LEU 199 CO 0.02 0.18 -0.07 0.72 0.23 0.00 0.00 176.35 177.44 1n5r s PHE 200 N -0.09 0.59 0.22 0.29 -0.71 0.04 -0.19 117.98 118.13 1n5r s PHE 200 Ca 0.19 -0.38 -0.22 0.00 -1.04 0.00 0.00 56.93 55.47 1n5r s PHE 200 Cb -0.14 -0.36 0.04 0.00 -1.21 0.00 0.00 43.02 41.35 1n5r s PHE 200 CO 0.07 -0.07 0.75 0.20 -1.34 0.00 0.00 175.22 174.83 1n5r s GLY 201 N -1.16 -0.23 0.02 1.99 0.00 -1.06 -0.89 107.32 105.99 1n5r s GLY 201 Ca -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.68 1n5r s GLY 201 CO 0.00 -0.01 -0.15 1.85 0.00 0.00 0.00 173.10 174.80 1n5r s GLU 202 N -3.73 1.06 7.52 2.90 -6.30 -1.23 -1.13 118.70 117.78 1n5r s GLU 202 Ca 0.09 -0.68 0.00 0.00 -2.50 0.00 0.00 54.97 51.88 1n5r s GLU 202 Cb -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 34.13 33.03 1n5r s GLU 202 CO 0.02 0.27 0.00 0.45 0.02 0.00 0.00 175.26 176.02 1n5r n SER 203 N 2.21 0.00 0.28 -1.70 2.88 0.46 -0.78 113.62 116.97 1n5r n SER 203 Ca -0.16 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.50 1n5r n SER 203 Cb 0.55 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.79 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 -0.94 1.63 -0.46 -1.46 0.00 -1.85 0.11 119.26 116.28 1n5r h ALA 204 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1n5r h ALA 204 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n5r h ALA 204 CO 0.00 0.04 -0.24 0.78 0.00 0.00 0.00 179.25 179.84 1n5r h GLY 205 N 0.16 1.04 0.92 0.00 0.00 -0.86 0.19 103.07 104.53 1n5r h GLY 205 Ca -0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.35 1n5r h GLY 205 CO 0.00 0.84 0.05 0.00 0.00 0.00 0.00 176.54 177.44 1n5r h ALA 206 N 0.90 0.49 -0.72 3.60 0.00 -0.92 0.17 119.26 122.78 1n5r h ALA 206 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n5r h ALA 206 Cb 0.81 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1n5r h ALA 206 CO 0.07 0.21 0.44 0.00 0.00 0.00 0.00 179.25 179.96 1n5r h ALA 207 N 0.90 0.92 -0.14 0.00 0.00 -0.70 -0.92 119.26 119.32 1n5r h ALA 207 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1n5r h ALA 207 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1n5r h ALA 207 CO 0.01 0.39 0.00 0.77 0.00 0.00 0.00 179.25 180.43 1n5r h SER 208 N 0.99 -0.05 -0.66 0.00 0.02 -0.23 0.24 113.55 113.85 1n5r h SER 208 Ca 0.26 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 1n5r h SER 208 Cb -0.03 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 1n5r h SER 208 CO -0.05 -0.00 0.30 0.58 -1.14 0.00 0.00 176.83 176.51 1n5r h VAL 209 N 0.05 0.81 -0.34 2.27 2.07 -0.45 -0.78 116.25 119.89 1n5r h VAL 209 Ca 0.07 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1n5r h VAL 209 Cb 0.08 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1n5r h VAL 209 CO -0.11 0.09 0.05 1.23 0.02 0.00 0.00 177.57 178.85 1n5r h GLY 210 N 0.51 0.54 2.00 2.17 0.00 -0.36 -1.60 103.07 106.33 1n5r h GLY 210 Ca 0.33 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 1n5r h GLY 210 CO -0.29 0.27 -0.41 -0.33 0.00 0.00 0.00 176.54 175.78 1n5r h MET 211 N 0.49 0.00 -0.04 4.80 2.86 0.41 -2.03 114.93 121.42 1n5r h MET 211 Ca 0.11 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.60 1n5r h MET 211 Cb 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1n5r h MET 211 CO 0.00 0.41 -0.67 0.45 1.06 0.00 0.00 176.91 178.17 1n5r h HIS 212 N 0.00 0.22 -0.18 -0.22 3.86 -0.35 -1.66 115.15 116.82 1n5r h HIS 212 Ca -0.00 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.06 1n5r h HIS 212 Cb 0.96 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 1n5r h HIS 212 CO 0.00 0.78 -0.14 0.82 0.86 0.00 0.00 177.93 180.25 1n5r h ILE 213 N 0.11 1.19 -0.12 2.45 2.04 -0.96 -2.92 117.51 119.31 1n5r h ILE 213 Ca -0.01 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1n5r h ILE 213 Cb 1.19 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1n5r h ILE 213 CO 0.10 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.70 1n5r n LEU 214 N -4.25 2.41 -4.11 1.44 4.77 -0.80 -4.77 117.00 111.67 1n5r n LEU 214 Ca -0.00 -0.89 -0.33 0.00 -0.03 0.00 0.00 56.01 54.75 1n5r n LEU 214 Cb 0.29 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 1n5r n LEU 214 CO 0.38 0.44 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.94 1n5r s SER 215 N -1.83 4.68 0.25 -1.43 0.15 -0.66 -4.78 113.70 110.08 1n5r s SER 215 Ca 0.34 -1.39 -0.10 0.00 0.70 0.00 0.00 55.95 55.50 1n5r s SER 215 Cb 0.20 -1.63 0.39 0.00 -1.71 0.00 0.00 66.02 63.27 1n5r s SER 215 CO 0.31 -0.24 1.59 0.25 1.20 0.00 0.00 173.24 176.35 1n5r h LEU 216 N 7.87 -0.76 -2.52 3.45 5.85 -1.86 0.60 115.31 127.94 1n5r h LEU 216 Ca -0.19 0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1n5r h LEU 216 Cb 1.05 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 1n5r h LEU 216 CO 0.50 -0.28 0.11 -0.65 -0.34 0.00 0.00 178.44 177.78 1n5r h PRO 217 N 0.00 0.00 0.00 5.25 0.11 -1.95 -0.67 132.00 134.75 1n5r h PRO 217 Ca 0.42 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.45 1n5r h PRO 217 Cb 0.65 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1n5r h PRO 217 CO -0.87 0.00 -0.83 0.77 -0.21 0.00 0.00 178.00 176.86 1n5r h SER 218 N 0.00 0.00 -0.45 -2.05 0.02 -1.12 -3.38 113.55 106.57 1n5r h SER 218 Ca 0.02 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.10 1n5r h SER 218 Cb 0.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1n5r h SER 218 CO -0.00 0.30 0.32 0.03 -1.14 0.00 0.00 176.83 176.34 1n5r h ARG 219 N 0.00 0.04 -0.01 3.45 2.47 -1.02 -0.41 114.38 118.89 1n5r h ARG 219 Ca -0.05 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1n5r h ARG 219 Cb 1.27 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1n5r h ARG 219 CO 0.03 0.02 -0.01 -1.13 0.56 0.00 0.00 179.97 179.44 1n5r n SER 220 N -4.41 0.56 -0.61 7.04 3.41 -1.26 -3.74 113.62 114.61 1n5r n SER 220 Ca 0.08 -1.12 0.11 0.00 -0.26 0.00 0.00 58.87 57.68 1n5r n SER 220 Cb 0.51 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.60 2.27 -3.79 1.04 4.77 -0.16 -4.99 117.00 115.53 1n5r n LEU 221 Ca 0.21 -0.82 -0.09 0.00 -0.03 0.00 0.00 56.01 55.28 1n5r n LEU 221 Cb 0.21 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1n5r n LEU 221 CO 0.18 0.41 0.26 0.72 -1.33 0.00 0.00 177.39 177.63 1n5r s PHE 222 N -2.33 -0.04 -0.01 -1.77 -0.71 -1.25 -4.89 117.98 107.00 1n5r s PHE 222 Ca 0.21 -0.32 0.01 0.00 -1.04 0.00 0.00 56.93 55.78 1n5r s PHE 222 Cb 0.18 0.37 -0.01 0.00 -1.21 0.00 0.00 43.02 42.35 1n5r s PHE 222 CO 0.50 -0.94 0.01 0.72 -1.34 0.00 0.00 175.22 174.16 1n5r n HIS 223 N -0.35 0.00 -4.15 3.49 8.25 0.32 -4.93 115.22 117.86 1n5r n HIS 223 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 1n5r n HIS 223 Cb 0.62 -0.03 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 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 -2.03 0.83 -0.05 -0.41 0.52 -1.08 -4.34 118.95 112.40 1n5r s ARG 224 Ca -0.00 -1.36 -0.11 0.00 -0.52 0.00 0.00 55.73 53.74 1n5r s ARG 224 Cb 0.00 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.56 1n5r s ARG 224 CO 0.03 -0.14 0.26 0.00 0.02 0.00 0.00 175.30 175.46 1n5r s ALA 225 N -3.86 -0.64 -0.11 2.13 0.00 -1.02 -1.34 121.76 116.91 1n5r s ALA 225 Ca 0.16 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.57 1n5r s ALA 225 Cb 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1n5r s ALA 225 CO -0.03 -0.19 -0.13 0.08 0.00 0.00 0.00 175.76 175.49 1n5r s VAL 226 N -0.66 1.40 -0.31 0.00 1.01 0.74 -1.07 120.40 121.51 1n5r s VAL 226 Ca -0.08 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1n5r s VAL 226 Cb -0.04 -1.30 0.07 0.00 0.00 0.00 0.00 36.38 35.10 1n5r s VAL 226 CO 0.02 0.42 0.01 -0.76 0.00 0.00 0.00 175.10 174.79 1n5r s LEU 227 N 1.18 4.09 -0.35 3.92 1.02 0.07 -2.55 118.68 126.05 1n5r s LEU 227 Ca -0.03 -1.50 -0.15 0.00 0.02 0.00 0.00 54.13 52.47 1n5r s LEU 227 Cb -0.14 -1.68 -0.01 0.00 0.02 0.00 0.00 46.19 44.37 1n5r s LEU 227 CO -0.04 -0.30 0.34 -1.10 0.02 0.00 0.00 176.35 175.27 1n5r s GLN 228 N 1.17 3.51 -1.48 1.70 -0.21 -0.29 -2.47 119.66 121.59 1n5r s GLN 228 Ca -0.02 -0.50 -0.08 0.00 0.02 0.00 0.00 55.36 54.78 1n5r s GLN 228 Cb -0.20 -3.82 0.06 0.00 1.00 0.00 0.00 33.01 30.05 1n5r s GLN 228 CO -0.03 -0.53 0.73 0.43 -2.12 0.00 0.00 175.29 173.76 1n5r n SER 229 N 5.33 -2.44 -3.58 5.90 7.64 0.45 -0.40 113.62 126.51 1n5r n SER 229 Ca -0.10 -0.90 -0.07 0.00 1.01 0.00 0.00 58.87 58.82 1n5r n SER 229 Cb 0.49 -3.48 -0.04 0.00 -1.01 0.00 0.00 64.21 60.17 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 -3.84 -0.24 0.10 0.23 0.00 -1.26 -3.24 107.32 99.07 1n5r s GLY 230 Ca 0.34 1.89 -0.13 0.00 0.00 0.00 0.00 44.72 46.83 1n5r s GLY 230 CO 0.86 0.80 0.30 -0.51 0.00 0.00 0.00 173.10 174.56 1n5r s THR 231 N -1.76 0.10 -0.08 0.90 -4.23 -1.26 -4.32 115.64 104.98 1n5r s THR 231 Ca 0.04 -0.83 0.14 0.00 -1.18 0.00 0.00 61.69 59.85 1n5r s THR 231 Cb -0.01 -1.21 0.02 0.00 1.34 0.00 0.00 72.50 72.63 1n5r s THR 231 CO -0.04 -0.46 1.43 1.55 -0.54 0.00 0.00 174.62 176.57 1n5r h PRO 232 N 2.61 0.00 -7.48 3.99 0.13 -1.83 -3.39 132.00 126.04 1n5r h PRO 232 Ca -0.34 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.34 1n5r h PRO 232 Cb 1.23 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.47 1n5r h PRO 232 CO 0.51 0.59 0.29 0.54 -0.23 0.00 0.00 178.00 179.69 1n5r s ASN 233 N -6.51 4.04 0.00 1.44 4.22 -1.26 -4.54 114.94 112.32 1n5r s ASN 233 Ca 0.03 0.21 0.00 0.00 -2.14 0.00 0.00 52.86 50.96 1n5r s ASN 233 Cb 0.08 -0.55 0.00 0.00 1.28 0.00 0.00 41.25 42.06 1n5r s ASN 233 CO 0.76 -2.12 0.00 0.61 -2.04 0.00 0.00 177.10 174.31 1n5r n GLY 234 N -3.25 2.09 0.00 0.45 0.00 -1.26 -4.73 105.19 98.49 1n5r n GLY 234 Ca 0.12 -2.07 0.10 0.00 0.00 0.00 0.00 46.02 44.18 1n5r n GLY 234 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n5r n PRO 235 N 0.36 0.00 0.00 1.61 -0.04 -1.26 -4.28 135.00 131.40 1n5r n PRO 235 Ca 0.00 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1n5r n PRO 235 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1n5r n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1n5r n TRP 236 N -1.50 0.00 0.28 0.54 4.27 -1.26 -4.80 117.44 114.97 1n5r n TRP 236 Ca 0.05 0.00 0.17 0.00 -3.89 0.00 0.00 57.50 53.83 1n5r n TRP 236 Cb 0.24 0.00 0.73 0.00 -1.36 0.00 0.00 31.31 30.92 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 0.00 1.01 -2.46 -1.67 0.00 -1.84 -3.44 119.26 110.87 1n5r h ALA 237 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1n5r h ALA 237 Cb 0.15 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 1n5r h ALA 237 CO 0.00 0.03 -0.55 0.95 0.00 0.00 0.00 179.25 179.67 1n5r s THR 238 N -3.74 0.11 0.12 0.00 -4.23 -1.26 -3.51 115.64 103.13 1n5r s THR 238 Ca 0.00 -1.73 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1n5r s THR 238 Cb 0.10 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 1n5r s THR 238 CO 0.54 -0.50 -0.09 0.68 -0.54 0.00 0.00 174.62 174.70 1n5r s VAL 239 N -4.00 0.98 0.77 2.29 -7.23 -0.73 -4.98 120.40 107.50 1n5r s VAL 239 Ca 0.19 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 1n5r s VAL 239 Cb 0.06 -1.65 0.05 0.00 0.56 0.00 0.00 36.38 35.40 1n5r s VAL 239 CO -0.01 -0.72 1.08 -0.94 -0.31 0.00 0.00 175.10 174.20 1n5r s SER 240 N -2.91 4.70 0.22 4.85 1.04 -1.26 -1.73 113.70 118.61 1n5r s SER 240 Ca 0.12 1.46 -0.09 0.00 0.48 0.00 0.00 55.95 57.92 1n5r s SER 240 Cb 0.02 -2.24 0.19 0.00 0.10 0.00 0.00 66.02 64.09 1n5r s SER 240 CO -0.01 -1.85 1.87 0.00 0.98 0.00 0.00 173.24 174.23 1n5r h ALA 241 N -1.01 1.07 -0.60 5.32 0.00 -1.95 -1.18 119.26 120.91 1n5r h ALA 241 Ca -0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1n5r h ALA 241 Cb 1.25 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1n5r h ALA 241 CO 0.57 0.52 0.29 0.78 0.00 0.00 0.00 179.25 181.41 1n5r h GLY 242 N 1.15 0.92 1.14 0.00 0.00 -1.93 -0.93 103.07 103.42 1n5r h GLY 242 Ca 0.30 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1n5r h GLY 242 CO -0.06 0.43 -0.07 -2.09 0.00 0.00 0.00 176.54 174.75 1n5r h GLU 243 N 0.81 1.02 -0.63 4.80 4.57 -1.84 -1.07 114.58 122.24 1n5r h GLU 243 Ca 0.21 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1n5r h GLU 243 Cb 0.11 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1n5r h GLU 243 CO -0.03 1.04 0.15 0.00 -1.18 0.00 0.00 179.01 178.99 1n5r h ALA 244 N 0.99 0.83 -0.06 2.92 0.00 -0.97 -0.50 119.26 122.48 1n5r h ALA 244 Ca 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n5r h ALA 244 Cb 0.63 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1n5r h ALA 244 CO 0.04 0.54 0.03 -0.09 0.00 0.00 0.00 179.25 179.78 1n5r h ARG 245 N 0.93 0.08 -0.28 0.00 2.43 -0.93 -0.68 114.38 115.92 1n5r h ARG 245 Ca 0.20 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1n5r h ARG 245 Cb 0.36 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 1n5r h ARG 245 CO 0.00 0.11 -0.13 -0.09 -1.51 0.00 0.00 179.97 178.36 1n5r h ARG 246 N 0.02 -0.08 -0.70 0.20 2.43 -0.89 -0.01 114.38 115.35 1n5r h ARG 246 Ca 0.02 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1n5r h ARG 246 Cb 0.05 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1n5r h ARG 246 CO -0.00 -0.06 0.25 0.00 -1.51 0.00 0.00 179.97 178.65 1n5r h ARG 247 N -0.09 1.05 -0.32 0.20 3.08 -0.87 -0.82 114.38 116.62 1n5r h ARG 247 Ca 0.15 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1n5r h ARG 247 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1n5r h ARG 247 CO -0.34 0.88 -0.18 0.00 -1.07 0.00 0.00 179.97 179.26 1n5r h ALA 248 N 1.25 0.46 -0.01 0.04 0.00 -0.63 -0.83 119.26 119.53 1n5r h ALA 248 Ca 0.23 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1n5r h ALA 248 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1n5r h ALA 248 CO -0.01 0.39 -0.65 0.00 0.00 0.00 0.00 179.25 178.97 1n5r h THR 249 N 0.46 1.46 -0.56 0.00 1.03 -0.83 -0.37 112.91 114.09 1n5r h THR 249 Ca 0.07 -2.21 -0.08 0.00 -0.01 0.00 0.00 66.41 64.18 1n5r h THR 249 Cb 0.72 2.18 -0.02 0.00 -1.07 0.00 0.00 68.15 69.96 1n5r h THR 249 CO 0.05 0.63 0.02 0.25 -0.01 0.00 0.00 175.52 176.47 1n5r h LEU 250 N 0.04 0.96 -0.63 0.00 5.85 -1.05 -0.65 115.31 119.82 1n5r h LEU 250 Ca -0.01 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1n5r h LEU 250 Cb 1.16 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1n5r h LEU 250 CO 0.09 1.02 0.33 0.25 -0.34 0.00 0.00 178.44 179.78 1n5r h LEU 251 N 0.87 0.79 -0.41 2.25 5.85 -0.79 -0.65 115.31 123.22 1n5r h LEU 251 Ca 0.16 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1n5r h LEU 251 Cb 0.51 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1n5r h LEU 251 CO 0.02 0.68 0.16 0.00 -0.34 0.00 0.00 178.44 178.96 1n5r h ALA 252 N 1.15 0.49 -0.01 1.25 0.00 -0.71 -2.31 119.26 119.13 1n5r h ALA 252 Ca 0.22 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1n5r h ALA 252 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1n5r h ALA 252 CO -0.03 -0.22 -0.11 0.00 0.00 0.00 0.00 179.25 178.88 1n5r h ARG 253 N 0.33 -0.18 -0.38 0.00 3.08 -0.47 0.84 114.38 117.61 1n5r h ARG 253 Ca 0.19 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.36 1n5r h ARG 253 Cb 0.15 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1n5r h ARG 253 CO -0.18 -0.12 0.40 -0.07 -1.07 0.00 0.00 179.97 178.93 1n5r h LEU 254 N -0.18 0.00 -3.07 3.04 3.38 -0.64 -0.54 115.31 117.29 1n5r h LEU 254 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n5r h LEU 254 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1n5r h LEU 254 CO -0.12 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.74 1n5r n VAL 255 N -3.77 1.64 -0.63 1.22 0.24 -0.80 -4.97 118.33 111.27 1n5r n VAL 255 Ca 0.06 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 1n5r n VAL 255 Cb 0.57 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 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 0.58 0.62 3.75 7.63 0.00 -0.21 -5.07 105.19 112.49 1n5r n GLY 256 Ca 0.20 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 2.76 0.00 -1.71 0.00 -0.02 -1.26 -3.53 135.00 131.23 1n5r n PRO 258 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1n5r n PRO 258 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1n5r n PRO 258 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1n5r n ASN 265 N -3.93 -0.45 -0.26 2.55 2.85 -1.26 -4.85 115.26 109.91 1n5r n ASN 265 Ca 0.00 1.03 -0.05 0.00 -0.11 0.00 0.00 54.58 55.44 1n5r n ASN 265 Cb 0.00 -1.68 0.06 0.00 1.24 0.00 0.00 39.78 39.40 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 3.43 0.90 -0.43 1.20 3.32 -2.00 -3.09 116.42 119.75 1n5r h ASP 266 Ca 0.00 -0.09 0.08 0.00 0.02 0.00 0.00 57.03 57.04 1n5r h ASP 266 Cb 0.00 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.24 1n5r h ASP 266 CO 0.00 0.73 -0.07 0.74 -1.72 0.00 0.00 179.24 178.93 1n5r h THR 267 N 1.00 0.61 -0.46 0.35 2.02 -2.01 -0.31 112.91 114.11 1n5r h THR 267 Ca 0.26 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.39 1n5r h THR 267 Cb 0.03 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1n5r h THR 267 CO -0.04 0.01 0.17 -0.33 0.37 0.00 0.00 175.52 175.69 1n5r h GLU 268 N 0.04 0.69 0.30 6.66 5.08 -1.98 0.04 114.58 125.41 1n5r h GLU 268 Ca 0.21 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1n5r h GLU 268 Cb 0.31 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1n5r h GLU 268 CO -0.41 0.64 -0.17 1.25 -1.00 0.00 0.00 179.01 179.33 1n5r h LEU 269 N 0.60 -0.42 -0.65 1.33 6.46 -1.36 -0.66 115.31 120.61 1n5r h LEU 269 Ca 0.15 0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1n5r h LEU 269 Cb 0.22 0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1n5r h LEU 269 CO -0.01 -0.28 0.34 0.40 -0.62 0.00 0.00 178.44 178.27 1n5r h ILE 270 N -0.45 1.21 -0.92 4.05 2.04 -1.02 0.09 117.51 122.52 1n5r h ILE 270 Ca -0.03 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.34 1n5r h ILE 270 Cb 0.36 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 1n5r h ILE 270 CO 0.05 0.24 0.58 0.00 0.00 0.00 0.00 178.15 179.01 1n5r h ALA 271 N 1.16 1.28 -0.41 1.87 0.00 -0.78 0.23 119.26 122.61 1n5r h ALA 271 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1n5r h ALA 271 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1n5r h ALA 271 CO -0.03 0.32 -0.31 0.00 0.00 0.00 0.00 179.25 179.23 1n5r h LEU 273 N 0.77 1.03 -2.01 0.00 3.38 0.07 -1.35 115.31 117.20 1n5r h LEU 273 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n5r h LEU 273 Cb 0.88 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1n5r h LEU 273 CO 0.08 0.72 0.00 0.03 0.09 0.00 0.00 178.44 179.36 1n5r h ARG 274 N 1.21 0.00 -0.00 1.13 3.08 -0.71 -0.86 114.38 118.23 1n5r h ARG 274 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1n5r h ARG 274 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1n5r h ARG 274 CO -0.10 0.00 -0.39 0.25 -1.07 0.00 0.00 179.97 178.66 1n5r n THR 275 N -2.71 0.00 -2.90 2.04 -2.24 -0.51 -4.90 114.28 103.05 1n5r n THR 275 Ca -0.01 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 1n5r n THR 275 Cb 0.11 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.88 4.49 0.46 -0.78 1.81 -0.33 -5.02 118.95 116.70 1n5r s ARG 276 Ca 0.15 1.17 -0.25 0.00 -1.72 0.00 0.00 55.73 55.08 1n5r s ARG 276 Cb 0.18 -2.90 -0.08 0.00 -0.45 0.00 0.00 34.95 31.70 1n5r s ARG 276 CO 0.64 0.36 1.38 -2.30 -0.68 0.00 0.00 175.30 174.69 1n5r n PRO 277 N 0.77 2.06 -0.35 3.54 -0.02 -1.26 -4.89 135.00 134.83 1n5r n PRO 277 Ca -0.00 0.74 0.07 0.00 -2.02 0.00 0.00 63.50 62.28 1n5r n PRO 277 Cb 0.50 -2.56 0.24 0.00 -0.02 0.00 0.00 33.50 31.66 1n5r n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n5r h ALA 278 N 2.06 1.53 0.00 3.55 0.00 -1.96 -1.63 119.26 122.80 1n5r h ALA 278 Ca -0.50 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1n5r h ALA 278 Cb 1.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1n5r h ALA 278 CO 0.60 0.24 -0.19 0.37 0.00 0.00 0.00 179.25 180.28 1n5r h GLN 279 N 1.00 0.00 -0.36 0.00 5.75 -1.99 -2.21 115.11 117.30 1n5r h GLN 279 Ca 0.48 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.86 1n5r h GLN 279 Cb 0.45 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 1n5r h GLN 279 CO -0.24 0.19 -0.27 -0.44 -2.65 0.00 0.00 178.83 175.41 1n5r h ASP 280 N 0.00 0.77 -0.21 -0.69 5.19 -1.65 -0.28 116.42 119.54 1n5r h ASP 280 Ca -0.00 -0.29 -0.05 0.00 -0.62 0.00 0.00 57.03 56.06 1n5r h ASP 280 Cb 0.51 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1n5r h ASP 280 CO 0.02 1.00 -0.07 -0.07 -3.12 0.00 0.00 179.24 177.00 1n5r h LEU 281 N 0.64 0.42 -0.90 1.55 3.38 -1.38 -2.95 115.31 116.07 1n5r h LEU 281 Ca 0.08 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1n5r h LEU 281 Cb 0.79 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1n5r h LEU 281 CO 0.06 0.71 0.58 0.58 0.09 0.00 0.00 178.44 180.47 1n5r h VAL 282 N 0.13 1.15 -0.00 1.22 2.07 -1.31 -1.75 116.25 117.76 1n5r h VAL 282 Ca 0.05 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1n5r h VAL 282 Cb 0.54 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1n5r h VAL 282 CO 0.02 0.21 0.01 0.44 0.02 0.00 0.00 177.57 178.27 1n5r h ASP 283 N 1.13 0.00 -0.01 0.57 3.32 -0.88 -2.83 116.42 117.73 1n5r h ASP 283 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1n5r h ASP 283 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1n5r h ASP 283 CO -0.12 0.00 -0.05 1.41 -1.72 0.00 0.00 179.24 178.76 1n5r n HIS 284 N -3.24 0.00 -0.27 4.55 8.25 -0.81 -4.75 115.22 118.96 1n5r n HIS 284 Ca -0.03 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.49 1n5r n HIS 284 Cb 0.08 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.36 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 0.84 0.10 0.00 -0.41 4.81 -1.08 -0.70 114.58 118.13 1n5r h GLU 285 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1n5r h GLU 285 Cb 0.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1n5r h GLU 285 CO 0.00 0.06 0.00 0.91 -0.73 0.00 0.00 179.01 179.25 1n5r n TRP 286 N -5.35 0.00 1.47 0.92 7.02 -1.26 -3.53 117.44 116.70 1n5r n TRP 286 Ca 0.14 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.67 1n5r n TRP 286 Cb 0.50 -0.37 0.17 0.00 -2.42 0.00 0.00 31.31 29.19 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 -1.37 0.21 0.50 -5.99 8.25 -0.27 -3.87 115.22 112.69 1n5r n HIS 287 Ca 0.10 -0.11 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 1n5r n HIS 287 Cb 0.25 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.03 0.00 -2.02 1.59 0.24 -1.23 -4.99 118.33 111.89 1n5r n VAL 288 Ca 0.08 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.51 1n5r n VAL 288 Cb 0.16 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.21 4.39 0.45 1.34 1.43 -1.25 -4.85 118.68 118.99 1n5r s LEU 289 Ca 0.13 2.74 0.17 0.00 -1.03 0.00 0.00 54.13 56.13 1n5r s LEU 289 Cb 0.10 -3.64 1.06 0.00 0.03 0.00 0.00 46.19 43.74 1n5r s LEU 289 CO 0.19 -0.66 1.99 1.55 0.23 0.00 0.00 176.35 179.65 1n5r h PRO 290 N 4.00 0.00 -4.46 1.29 0.13 -1.96 -3.45 132.00 127.55 1n5r h PRO 290 Ca -0.48 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.44 1n5r h PRO 290 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1n5r h PRO 290 CO 0.70 0.19 -0.58 -0.65 -0.23 0.00 0.00 178.00 177.43 1n5r s GLN 291 N -4.51 1.15 0.09 0.86 1.11 -1.26 -5.11 119.66 111.99 1n5r s GLN 291 Ca -0.04 -1.54 -0.31 0.00 0.01 0.00 0.00 55.36 53.48 1n5r s GLN 291 Cb 0.15 0.28 -0.07 0.00 -1.01 0.00 0.00 33.01 32.36 1n5r s GLN 291 CO 0.68 -0.38 1.29 -2.00 0.01 0.00 0.00 175.29 174.89 1n5r s GLU 292 N -4.12 4.38 0.28 2.91 2.12 -1.26 -4.96 118.70 118.06 1n5r s GLU 292 Ca 0.33 1.92 -0.20 0.00 0.36 0.00 0.00 54.97 57.38 1n5r s GLU 292 Cb 0.06 -3.30 0.05 0.00 0.26 0.00 0.00 34.13 31.21 1n5r s GLU 292 CO 0.09 -0.34 0.84 -1.54 -0.54 0.00 0.00 175.26 173.76 1n5r s SER 293 N 1.07 -0.11 0.16 -1.70 1.04 -1.26 -4.62 113.70 108.29 1n5r s SER 293 Ca 0.61 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 56.31 1n5r s SER 293 Cb -0.33 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1n5r s SER 293 CO 0.30 -1.34 -0.10 0.27 0.98 0.00 0.00 173.24 173.34 1n5r s ILE 294 N -2.94 1.20 -1.47 -1.02 -4.36 -1.14 -4.81 121.20 106.67 1n5r s ILE 294 Ca 0.15 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.39 1n5r s ILE 294 Cb -0.04 -1.89 0.03 0.00 1.25 0.00 0.00 42.46 41.81 1n5r s ILE 294 CO 0.08 -0.71 0.80 0.33 0.24 0.00 0.00 174.94 175.68 1n5r n PHE 295 N -0.22 -2.25 -4.19 1.37 -0.00 -1.26 -4.85 117.46 106.06 1n5r n PHE 295 Ca -0.10 0.71 -0.18 0.00 -0.00 0.00 0.00 57.45 57.88 1n5r n PHE 295 Cb 0.61 -4.36 -0.15 0.00 -0.00 0.00 0.00 39.48 35.57 1n5r n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1n5r s ARG 296 N -6.05 0.61 -0.02 -4.13 1.81 -1.26 -4.73 118.95 105.18 1n5r s ARG 296 Ca 0.45 -0.17 0.05 0.00 -1.72 0.00 0.00 55.73 54.34 1n5r s ARG 296 Cb -0.21 -0.61 -0.01 0.00 -0.45 0.00 0.00 34.95 33.67 1n5r s ARG 296 CO 0.55 0.05 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.99 1n5r s PHE 297 N 0.28 1.57 0.11 -0.53 0.08 -1.26 -5.07 117.98 113.16 1n5r s PHE 297 Ca -0.03 -0.34 -0.29 0.00 0.12 0.00 0.00 56.93 56.39 1n5r s PHE 297 Cb -0.07 -1.02 -0.10 0.00 -0.57 0.00 0.00 43.02 41.26 1n5r s PHE 297 CO -0.00 -0.06 1.62 0.77 -0.10 0.00 0.00 175.22 177.45 1n5r h SER 298 N 5.85 -0.91 -3.67 1.36 0.02 -1.90 -3.40 113.55 110.92 1n5r h SER 298 Ca -0.36 0.10 -0.68 0.00 -0.84 0.00 0.00 61.79 60.01 1n5r h SER 298 Cb 1.16 0.33 -0.35 0.00 0.14 0.00 0.00 62.40 63.68 1n5r h SER 298 CO 0.48 -0.42 -0.66 -0.36 -1.14 0.00 0.00 176.83 174.73 1n5r s PHE 299 N -6.01 3.49 0.41 3.45 0.08 -1.26 -5.01 117.98 113.13 1n5r s PHE 299 Ca -0.16 -2.36 0.04 0.00 0.12 0.00 0.00 56.93 54.57 1n5r s PHE 299 Cb 0.07 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 1n5r s PHE 299 CO 0.64 -0.90 0.14 0.14 -0.10 0.00 0.00 175.22 175.14 1n5r s VAL 300 N 1.12 0.56 0.27 -0.44 -7.23 -1.26 -4.48 120.40 108.93 1n5r s VAL 300 Ca 0.03 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.90 1n5r s VAL 300 Cb -0.21 -2.34 -0.14 0.00 0.56 0.00 0.00 36.38 34.26 1n5r s VAL 300 CO -0.04 0.00 1.23 -2.65 -0.31 0.00 0.00 175.10 173.33 1n5r n PRO 301 N -0.91 1.74 -4.48 4.82 -0.02 -1.23 -4.73 135.00 130.18 1n5r n PRO 301 Ca -0.06 0.61 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 1n5r n PRO 301 Cb 0.65 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.62 3.99 -0.93 -1.45 0.11 -1.26 -1.77 120.40 118.47 1n5r s VAL 302 Ca 0.63 -0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 1n5r s VAL 302 Cb -0.67 -2.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.52 1n5r s VAL 302 CO 0.56 0.57 1.61 -0.69 -3.33 0.00 0.00 175.10 173.82 1n5r s VAL 303 N -0.88 3.72 -0.95 2.04 1.01 -0.71 -4.68 120.40 119.96 1n5r s VAL 303 Ca 0.14 -0.46 0.24 0.00 0.00 0.00 0.00 61.98 61.90 1n5r s VAL 303 Cb -0.11 -4.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 1n5r s VAL 303 CO 0.03 -1.56 1.32 -0.90 0.00 0.00 0.00 175.10 173.99 1n5r n ASP 304 N 10.75 0.58 -0.00 3.32 5.75 -1.25 -3.90 116.55 131.80 1n5r n ASP 304 Ca 0.31 -0.30 -0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1n5r n ASP 304 Cb 0.50 0.37 -0.00 0.00 -1.03 0.00 0.00 41.12 40.95 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 1.48 0.42 0.00 6.12 0.00 0.69 -4.86 105.19 109.03 1n5r n GLY 305 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.15 0.00 -0.22 1.61 2.03 -1.26 -4.59 116.55 113.97 1n5r n ASP 306 Ca -0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 1n5r n ASP 306 Cb 0.09 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.62 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 0.42 -3.65 -0.67 3.04 -1.92 -3.30 116.94 110.86 1n5r h PHE 307 Ca 0.00 0.03 -0.69 0.00 3.98 0.00 0.00 57.97 61.29 1n5r h PHE 307 Cb 0.00 -0.09 -0.32 0.00 2.56 0.00 0.00 35.95 38.10 1n5r h PHE 307 CO 0.00 0.09 -0.63 -0.51 -2.02 0.00 0.00 178.31 175.24 1n5r s LEU 308 N -10.42 4.43 0.35 0.59 1.43 -1.26 -4.53 118.68 109.27 1n5r s LEU 308 Ca -0.13 -1.47 0.27 0.00 -1.03 0.00 0.00 54.13 51.77 1n5r s LEU 308 Cb 0.18 -1.79 1.10 0.00 0.03 0.00 0.00 46.19 45.71 1n5r s LEU 308 CO 0.75 -0.37 1.80 0.77 0.23 0.00 0.00 176.35 179.53 1n5r h SER 309 N 8.08 0.00 -5.11 2.29 4.64 -1.81 0.20 113.55 121.84 1n5r h SER 309 Ca -0.19 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1n5r h SER 309 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1n5r h SER 309 CO 0.60 0.00 0.35 -0.62 -0.87 0.00 0.00 176.83 176.29 1n5r s ASP 310 N -4.69 -0.02 0.67 4.97 -1.08 -1.26 -4.51 116.67 110.75 1n5r s ASP 310 Ca 0.03 -0.97 -0.17 0.00 -0.52 0.00 0.00 52.55 50.92 1n5r s ASP 310 Cb 0.09 0.75 0.00 0.00 -1.46 0.00 0.00 42.92 42.30 1n5r s ASP 310 CO 0.44 -1.48 1.25 0.42 0.52 0.00 0.00 175.17 176.32 1n5r s THR 311 N -2.43 2.22 0.44 1.71 -4.23 -1.26 -4.77 115.64 107.31 1n5r s THR 311 Ca 0.16 0.12 0.12 0.00 -1.18 0.00 0.00 61.69 60.92 1n5r s THR 311 Cb -0.04 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.17 1n5r s THR 311 CO 0.09 -0.04 2.02 -0.65 -0.54 0.00 0.00 174.62 175.51 1n5r h PRO 312 N 0.31 0.39 -0.44 3.99 0.11 -1.98 -1.52 132.00 132.86 1n5r h PRO 312 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1n5r h PRO 312 Cb 1.32 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1n5r h PRO 312 CO 0.52 0.26 0.22 1.49 -0.21 0.00 0.00 178.00 180.28 1n5r h GLU 313 N 0.40 0.62 -0.04 1.05 4.81 -1.90 -0.59 114.58 118.94 1n5r h GLU 313 Ca 0.21 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1n5r h GLU 313 Cb 0.31 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1n5r h GLU 313 CO -0.05 0.52 0.02 0.00 -0.73 0.00 0.00 179.01 178.77 1n5r h ALA 314 N 1.07 0.05 -0.67 2.92 0.00 -1.70 -2.74 119.26 118.19 1n5r h ALA 314 Ca 0.15 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n5r h ALA 314 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1n5r h ALA 314 CO -0.02 -0.37 0.44 -0.07 0.00 0.00 0.00 179.25 179.23 1n5r h LEU 315 N -0.10 0.75 -0.06 0.00 3.38 -1.07 -1.42 115.31 116.80 1n5r h LEU 315 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n5r h LEU 315 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1n5r h LEU 315 CO -0.00 0.53 0.00 0.16 0.09 0.00 0.00 178.44 179.22 1n5r h ILE 316 N 0.88 0.00 0.00 1.22 3.07 -1.07 -0.59 117.51 121.01 1n5r h ILE 316 Ca 0.25 -0.61 -0.21 0.00 1.55 0.00 0.00 64.86 65.83 1n5r h ILE 316 Cb -0.06 1.60 -0.03 0.00 -0.27 0.00 0.00 36.82 38.06 1n5r h ILE 316 CO -0.06 0.00 -1.15 0.78 -1.05 0.00 0.00 178.15 176.67 1n5r h ASN 317 N 0.00 0.00 -0.01 2.16 2.35 -0.97 -3.36 115.58 115.74 1n5r h ASN 317 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n5r h ASN 317 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1n5r h ASN 317 CO 0.00 0.89 -0.13 0.35 -1.65 0.00 0.00 177.43 176.90 1n5r n THR 318 N -3.21 0.00 -2.24 2.81 -2.24 -0.75 -5.03 114.28 103.62 1n5r n THR 318 Ca -0.05 -0.44 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 1n5r n THR 318 Cb 0.93 1.19 -0.01 0.00 -2.10 0.00 0.00 70.33 70.34 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 -1.26 2.17 -0.35 3.38 0.00 -0.23 -5.03 107.32 105.99 1n5r s GLY 319 Ca 0.12 0.36 -0.10 0.00 0.00 0.00 0.00 44.72 45.10 1n5r s GLY 319 CO 0.22 0.66 0.17 -0.35 0.00 0.00 0.00 173.10 173.80 1n5r s ASP 320 N -2.75 5.57 -0.33 1.64 2.15 -1.26 -4.87 116.67 116.82 1n5r s ASP 320 Ca 0.63 -0.89 0.06 0.00 0.43 0.00 0.00 52.55 52.78 1n5r s ASP 320 Cb -0.14 -1.98 0.46 0.00 -0.30 0.00 0.00 42.92 40.96 1n5r s ASP 320 CO 0.32 -0.32 1.34 0.49 -0.17 0.00 0.00 175.17 176.83 1n5r n PHE 321 N 4.95 2.34 -0.14 -5.34 3.72 -0.32 -4.85 117.46 117.82 1n5r n PHE 321 Ca -0.13 -2.19 -0.05 0.00 -0.05 0.00 0.00 57.45 55.03 1n5r n PHE 321 Cb 0.47 -0.50 0.04 0.00 -0.94 0.00 0.00 39.48 38.55 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 1.90 0.41 -1.88 -1.08 4.20 -1.73 -1.66 115.11 115.28 1n5r h GLN 322 Ca 0.35 -0.02 -0.72 0.00 0.06 0.00 0.00 58.65 58.31 1n5r h GLN 322 Cb 1.40 -0.09 -0.26 0.00 0.30 0.00 0.00 27.48 28.82 1n5r h GLN 322 CO 0.75 0.27 0.95 -0.25 -0.67 0.00 0.00 178.83 179.89 1n5r n ASP 323 N -4.92 7.41 -3.88 1.46 8.00 -1.26 -4.57 116.55 118.79 1n5r n ASP 323 Ca 0.03 -3.74 -0.19 0.00 0.71 0.00 0.00 54.79 51.60 1n5r n ASP 323 Cb 0.12 -1.08 -0.16 0.00 -0.02 0.00 0.00 41.12 39.98 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 -3.78 1.34 -0.11 0.64 2.96 -1.18 -5.01 118.68 113.54 1n5r s LEU 324 Ca 0.54 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1n5r s LEU 324 Cb 0.44 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.74 1n5r s LEU 324 CO -0.34 -0.06 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.44 1n5r s GLN 325 N 0.86 3.18 -0.01 1.98 1.11 -1.26 -1.25 119.66 124.27 1n5r s GLN 325 Ca -0.11 -0.60 0.02 0.00 0.01 0.00 0.00 55.36 54.68 1n5r s GLN 325 Cb -0.14 -2.67 -0.00 0.00 -1.01 0.00 0.00 33.01 29.19 1n5r s GLN 325 CO -0.00 0.40 -0.07 0.08 0.01 0.00 0.00 175.29 175.71 1n5r s VAL 326 N -0.10 0.57 -0.15 1.09 1.01 0.56 -2.43 120.40 120.95 1n5r s VAL 326 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1n5r s VAL 326 Cb -0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1n5r s VAL 326 CO 0.03 0.17 -0.11 -0.22 0.00 0.00 0.00 175.10 174.97 1n5r s LEU 327 N -0.02 2.80 0.05 3.92 2.96 -0.23 -0.99 118.68 127.16 1n5r s LEU 327 Ca 0.01 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1n5r s LEU 327 Cb -0.04 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 1n5r s LEU 327 CO -0.00 0.14 -0.07 0.68 -1.32 0.00 0.00 176.35 175.77 1n5r s VAL 328 N 0.53 0.54 0.06 1.68 -7.23 0.26 -0.76 120.40 115.49 1n5r s VAL 328 Ca -0.07 -1.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.66 1n5r s VAL 328 Cb -0.15 -0.72 0.09 0.00 0.56 0.00 0.00 36.38 36.16 1n5r s VAL 328 CO 0.04 -0.44 1.18 -0.83 -0.31 0.00 0.00 175.10 174.73 1n5r s GLY 329 N -1.74 -0.11 0.17 2.32 0.00 -1.03 -1.42 107.32 105.50 1n5r s GLY 329 Ca -0.08 0.05 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 1n5r s GLY 329 CO -0.00 3.03 0.09 -1.34 0.00 0.00 0.00 173.10 174.88 1n5r s VAL 330 N -2.25 0.06 0.33 1.40 -7.23 -0.88 -0.41 120.40 111.42 1n5r s VAL 330 Ca 0.23 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 1n5r s VAL 330 Cb -0.00 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1n5r s VAL 330 CO 0.01 -0.22 0.41 0.68 -0.31 0.00 0.00 175.10 175.67 1n5r s VAL 331 N -4.10 3.90 0.41 1.32 -7.23 -1.26 -0.39 120.40 113.04 1n5r s VAL 331 Ca 0.32 -1.12 0.09 0.00 -1.81 0.00 0.00 61.98 59.46 1n5r s VAL 331 Cb 0.07 -3.34 0.30 0.00 0.56 0.00 0.00 36.38 33.97 1n5r s VAL 331 CO 0.07 -0.16 2.00 0.50 -0.31 0.00 0.00 175.10 177.20 1n5r h LYS 332 N 1.01 0.54 -2.13 4.82 3.64 -1.06 -3.32 116.57 120.07 1n5r h LYS 332 Ca -0.45 -0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.31 1n5r h LYS 332 Cb 1.26 -0.12 -0.40 0.00 -0.41 0.00 0.00 32.23 32.55 1n5r h LYS 332 CO 0.55 0.36 -0.87 -0.25 -2.27 0.00 0.00 179.45 176.96 1n5r n ASP 333 N -4.47 1.71 -0.30 4.20 9.92 -0.58 -4.92 116.55 122.11 1n5r n ASP 333 Ca 0.08 -3.00 0.08 0.00 -0.53 0.00 0.00 54.79 51.41 1n5r n ASP 333 Cb 0.22 -0.65 0.29 0.00 -0.64 0.00 0.00 41.12 40.34 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 4.19 0.86 0.00 -1.24 4.39 -1.77 -3.11 114.58 117.91 1n5r h GLU 334 Ca 0.13 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1n5r h GLU 334 Cb 0.79 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1n5r h GLU 334 CO 0.62 0.57 -0.72 0.78 -1.16 0.00 0.00 179.01 179.10 1n5r h GLY 335 N 0.89 0.00 0.21 -3.84 0.00 -1.86 -3.38 103.07 95.10 1n5r h GLY 335 Ca 0.44 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.83 1n5r h GLY 335 CO -0.20 0.00 -0.22 1.48 0.00 0.00 0.00 176.54 177.60 1n5r h SER 336 N 0.00 -0.69 -0.86 0.19 4.64 -1.75 -2.51 113.55 112.58 1n5r h SER 336 Ca 0.00 0.13 0.20 0.00 -0.47 0.00 0.00 61.79 61.65 1n5r h SER 336 Cb 0.77 0.33 -0.15 0.00 -0.31 0.00 0.00 62.40 63.03 1n5r h SER 336 CO 0.00 -0.26 -0.03 0.22 -0.87 0.00 0.00 176.83 175.90 1n5r h TYR 337 N -0.22 -0.12 0.00 4.77 3.20 -1.81 -1.69 116.97 121.10 1n5r h TYR 337 Ca 0.13 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1n5r h TYR 337 Cb 0.43 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1n5r h TYR 337 CO -0.37 -0.32 -0.08 0.74 -1.64 0.00 0.00 178.16 176.48 1n5r h PHE 338 N 0.06 0.00 -0.42 -3.82 -1.00 -1.73 -3.18 116.94 106.84 1n5r h PHE 338 Ca 0.48 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.20 1n5r h PHE 338 Cb 0.87 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.41 1n5r h PHE 338 CO -0.49 0.08 0.04 -0.07 -1.61 0.00 0.00 178.31 176.26 1n5r h LEU 339 N 0.00 0.62 0.00 1.54 3.38 -1.33 -2.49 115.31 117.02 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 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n5r h LEU 339 CO 0.01 0.66 0.00 1.33 0.09 0.00 0.00 178.44 180.53 1n5r n VAL 340 N -4.27 0.33 -0.78 1.22 0.24 -1.20 -2.07 118.33 111.80 1n5r n VAL 340 Ca 0.02 0.08 -0.09 0.00 -2.04 0.00 0.00 64.34 62.32 1n5r n VAL 340 Cb 0.25 -0.70 0.24 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.36 2.25 0.00 6.34 4.02 -0.94 -4.75 117.16 122.73 1n5r n TYR 341 Ca 0.09 -1.19 0.00 0.00 -0.01 0.00 0.00 57.90 56.79 1n5r n TYR 341 Cb 0.21 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 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 -0.26 -0.07 3.57 2.72 0.00 -1.21 -4.92 105.19 105.01 1n5r n GLY 342 Ca 0.39 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 5.26 0.22 1.61 1.01 -0.88 -4.98 120.40 122.64 1n5r s VAL 343 Ca 0.00 0.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.79 1n5r s VAL 343 Cb 0.00 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.62 1n5r s VAL 343 CO 0.00 0.13 1.66 -2.65 0.00 0.00 0.00 175.10 174.24 1n5r n PRO 344 N 5.16 2.61 0.00 2.72 -0.02 -1.26 -2.20 135.00 142.00 1n5r n PRO 344 Ca -0.12 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1n5r n PRO 344 Cb 0.51 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 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 3.44 2.53 3.89 -1.23 0.00 -1.26 -4.93 105.19 107.62 1n5r n GLY 345 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.41 3.59 -0.05 1.61 0.40 -0.93 -4.62 117.98 115.56 1n5r s PHE 346 Ca 0.00 0.48 -0.27 0.00 -0.60 0.00 0.00 56.93 56.55 1n5r s PHE 346 Cb 0.00 -1.91 0.06 0.00 0.51 0.00 0.00 43.02 41.68 1n5r s PHE 346 CO 0.00 0.71 0.59 0.45 0.70 0.00 0.00 175.22 177.67 1n5r s SER 347 N -1.28 -0.55 0.31 1.36 0.15 -1.26 -4.70 113.70 107.72 1n5r s SER 347 Ca 0.18 0.60 0.25 0.00 0.70 0.00 0.00 55.95 57.69 1n5r s SER 347 Cb -0.12 0.53 0.71 0.00 -1.71 0.00 0.00 66.02 65.42 1n5r s SER 347 CO 0.08 -0.55 1.73 0.07 1.20 0.00 0.00 173.24 175.77 1n5r h LYS 348 N 3.32 0.00 -0.01 5.44 2.10 -1.99 -3.29 116.57 122.14 1n5r h LYS 348 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1n5r h LYS 348 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1n5r h LYS 348 CO 0.38 0.00 -0.09 -0.25 -2.00 0.00 0.00 179.45 177.49 1n5r n ASP 349 N -2.57 1.57 -3.38 7.07 8.00 -1.26 -4.38 116.55 121.61 1n5r n ASP 349 Ca 0.04 -1.40 -0.18 0.00 0.71 0.00 0.00 54.79 53.96 1n5r n ASP 349 Cb 0.44 0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 1n5r n ASP 349 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n5r s ASN 350 N -2.15 1.49 0.08 -2.24 2.20 -1.24 -5.04 114.94 108.04 1n5r s ASN 350 Ca 0.32 -1.70 0.17 0.00 -0.94 0.00 0.00 52.86 50.71 1n5r s ASN 350 Cb 0.20 0.57 0.72 0.00 -2.00 0.00 0.00 41.25 40.74 1n5r s ASN 350 CO 0.39 -1.09 1.53 -0.62 -2.94 0.00 0.00 177.10 174.37 1n5r n GLU 351 N -0.60 0.06 -3.23 3.55 -0.58 -1.26 -4.73 120.64 113.85 1n5r n GLU 351 Ca 0.06 0.31 -0.23 0.00 -0.42 0.00 0.00 57.16 56.88 1n5r n GLU 351 Cb 0.62 -1.62 0.03 0.00 -0.57 0.00 0.00 31.44 29.90 1n5r n GLU 351 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1n5r n SER 352 N -1.73 -5.40 -4.70 1.62 7.64 -1.26 -4.93 113.62 104.86 1n5r n SER 352 Ca 0.03 -0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.12 1n5r n SER 352 Cb 0.18 -4.37 -0.03 0.00 -1.01 0.00 0.00 64.21 58.99 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 -6.73 4.34 0.34 -3.43 1.43 -1.26 -4.73 118.68 108.64 1n5r s LEU 353 Ca 0.38 2.22 0.10 0.00 -1.03 0.00 0.00 54.13 55.80 1n5r s LEU 353 Cb -0.18 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.41 1n5r s LEU 353 CO 0.47 -0.71 -0.09 0.27 0.23 0.00 0.00 176.35 176.53 1n5r s ILE 354 N 1.94 2.28 0.60 -0.59 -4.36 -1.23 -5.02 121.20 114.83 1n5r s ILE 354 Ca 0.65 -2.19 -0.03 0.00 -0.26 0.00 0.00 60.65 58.82 1n5r s ILE 354 Cb -0.34 -2.65 0.03 0.00 1.25 0.00 0.00 42.46 40.75 1n5r s ILE 354 CO 0.28 -0.20 0.87 -0.94 0.24 0.00 0.00 174.94 175.19 1n5r s SER 355 N -3.62 5.25 0.27 4.36 1.04 -1.26 -4.12 113.70 115.62 1n5r s SER 355 Ca 0.33 0.34 -0.00 0.00 0.48 0.00 0.00 55.95 57.09 1n5r s SER 355 Cb 0.02 -1.21 0.37 0.00 0.10 0.00 0.00 66.02 65.31 1n5r s SER 355 CO 0.17 -1.23 1.74 -0.09 0.98 0.00 0.00 173.24 174.81 1n5r h ARG 356 N -0.18 0.66 -0.60 4.02 2.43 -1.89 -0.77 114.38 118.05 1n5r h ARG 356 Ca -0.44 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 58.46 1n5r h ARG 356 Cb 1.29 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1n5r h ARG 356 CO 0.57 0.75 0.11 0.00 -1.51 0.00 0.00 179.97 179.90 1n5r h ALA 357 N 1.28 0.79 -0.15 2.80 0.00 -1.98 -1.04 119.26 120.96 1n5r h ALA 357 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1n5r h ALA 357 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1n5r h ALA 357 CO 0.03 0.53 -0.18 1.96 0.00 0.00 0.00 179.25 181.60 1n5r h GLN 358 N 0.88 0.24 0.02 0.00 4.20 -1.81 -1.90 115.11 116.74 1n5r h GLN 358 Ca 0.18 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1n5r h GLN 358 Cb 0.40 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1n5r h GLN 358 CO 0.01 0.42 -0.01 0.35 -0.67 0.00 0.00 178.83 178.93 1n5r h PHE 359 N 0.23 -0.02 -0.65 2.96 -0.00 -0.45 0.53 116.94 119.54 1n5r h PHE 359 Ca 0.04 -0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.05 1n5r h PHE 359 Cb 0.45 0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 36.37 1n5r h PHE 359 CO 0.01 0.27 0.43 -0.07 -0.00 0.00 0.00 178.31 178.94 1n5r h LEU 360 N -0.31 0.66 -0.36 0.59 3.38 -0.97 -0.98 115.31 117.32 1n5r h LEU 360 Ca -0.00 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1n5r h LEU 360 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1n5r h LEU 360 CO 0.00 0.45 -0.69 0.00 0.09 0.00 0.00 178.44 178.29 1n5r h ALA 361 N 1.62 0.53 -0.53 1.53 0.00 -1.22 -3.04 119.26 118.15 1n5r h ALA 361 Ca 0.26 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1n5r h ALA 361 Cb 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1n5r h ALA 361 CO -0.07 0.72 0.16 0.78 0.00 0.00 0.00 179.25 180.83 1n5r h GLY 362 N 1.00 0.85 1.38 0.00 0.00 0.06 -2.60 103.07 103.77 1n5r h GLY 362 Ca -0.03 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1n5r h GLY 362 CO 0.13 0.44 0.06 -2.08 0.00 0.00 0.00 176.54 175.09 1n5r h VAL 363 N 0.77 1.23 -0.17 4.60 2.07 -1.14 0.50 116.25 124.11 1n5r h VAL 363 Ca 0.18 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 1n5r h VAL 363 Cb 0.24 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1n5r h VAL 363 CO -0.01 0.32 -0.28 0.03 0.02 0.00 0.00 177.57 177.65 1n5r h ARG 364 N 0.73 0.32 0.13 1.57 2.47 -1.36 -0.38 114.38 117.86 1n5r h ARG 364 Ca 0.15 -0.12 -0.29 0.00 -1.26 0.00 0.00 59.98 58.47 1n5r h ARG 364 Cb 0.36 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1n5r h ARG 364 CO 0.01 0.57 -1.36 0.82 0.56 0.00 0.00 179.97 180.57 1n5r h ILE 365 N 0.28 1.37 0.00 2.04 2.04 -1.13 -3.04 117.51 119.08 1n5r h ILE 365 Ca 0.04 -2.95 -0.06 0.00 1.00 0.00 0.00 64.86 62.89 1n5r h ILE 365 Cb 0.64 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1n5r h ILE 365 CO 0.05 0.86 -0.28 1.23 0.00 0.00 0.00 178.15 180.01 1n5r h GLY 366 N 1.52 0.00 -5.88 5.37 0.00 0.15 -3.01 103.07 101.23 1n5r h GLY 366 Ca -0.18 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.61 1n5r h GLY 366 CO 0.20 0.00 -0.96 -0.62 0.00 0.00 0.00 176.54 175.16 1n5r n VAL 367 N -3.27 0.80 0.08 4.60 0.31 -0.17 -4.86 118.33 115.82 1n5r n VAL 367 Ca 0.02 -4.76 0.21 0.00 -0.01 0.00 0.00 64.34 59.80 1n5r n VAL 367 Cb 0.56 -1.24 0.72 0.00 -0.91 0.00 0.00 33.84 32.97 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 3.44 0.00 -0.21 5.55 0.13 -1.60 -0.95 132.00 138.36 1n5r h PRO 368 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1n5r h PRO 368 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1n5r h PRO 368 CO 0.61 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.42 1n5r n GLN 369 N -3.62 1.97 -2.89 0.86 3.00 -1.26 -4.92 117.38 110.52 1n5r n GLN 369 Ca 0.08 -1.45 -0.40 0.00 -0.01 0.00 0.00 57.00 55.22 1n5r n GLN 369 Cb 0.69 -1.44 -0.06 0.00 0.00 0.00 0.00 30.24 29.44 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 -1.74 3.38 1.16 -1.58 0.00 -0.36 -5.06 121.76 117.55 1n5r s ALA 370 Ca 0.34 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.56 1n5r s ALA 370 Cb 0.19 -3.07 0.28 0.00 0.00 0.00 0.00 23.12 20.51 1n5r s ALA 370 CO 0.28 0.19 1.17 -1.13 0.00 0.00 0.00 175.76 176.27 1n5r n SER 371 N 1.92 -1.34 -0.18 0.00 3.41 -1.26 -4.73 113.62 111.45 1n5r n SER 371 Ca -0.03 -1.27 -0.10 0.00 -0.26 0.00 0.00 58.87 57.21 1n5r n SER 371 Cb 0.49 -1.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 1n5r n SER 371 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1n5r h ASP 372 N -2.38 0.90 -0.41 4.04 5.19 -1.99 -1.35 116.42 120.43 1n5r h ASP 372 Ca -0.41 -0.32 -0.05 0.00 -0.62 0.00 0.00 57.03 55.63 1n5r h ASP 372 Cb 1.22 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.47 1n5r h ASP 372 CO 0.28 1.00 0.06 0.25 -3.12 0.00 0.00 179.24 177.71 1n5r h LEU 373 N 0.78 0.65 -0.61 1.55 5.85 -1.99 -1.52 115.31 120.02 1n5r h LEU 373 Ca 0.14 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1n5r h LEU 373 Cb 0.55 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1n5r h LEU 373 CO 0.03 0.75 0.28 0.00 -0.34 0.00 0.00 178.44 179.16 1n5r h ALA 374 N 0.92 0.78 -0.69 1.25 0.00 -1.89 -0.89 119.26 118.75 1n5r h ALA 374 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1n5r h ALA 374 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1n5r h ALA 374 CO 0.01 0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.80 1n5r h ALA 375 N 1.12 1.03 -0.45 0.00 0.00 -1.11 -1.25 119.26 118.59 1n5r h ALA 375 Ca 0.21 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1n5r h ALA 375 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1n5r h ALA 375 CO -0.02 0.64 -0.12 1.49 0.00 0.00 0.00 179.25 181.24 1n5r h GLU 376 N 1.03 0.82 -0.94 0.00 4.57 -0.93 -0.36 114.58 118.77 1n5r h GLU 376 Ca 0.22 -0.28 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1n5r h GLU 376 Cb 0.33 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 1n5r h GLU 376 CO -0.00 0.90 0.62 0.00 -1.18 0.00 0.00 179.01 179.34 1n5r h ALA 377 N 1.13 1.19 -0.14 2.92 0.00 -0.54 0.37 119.26 124.19 1n5r h ALA 377 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1n5r h ALA 377 Cb 0.61 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1n5r h ALA 377 CO 0.04 0.60 0.06 0.28 0.00 0.00 0.00 179.25 180.23 1n5r h VAL 378 N 1.28 1.15 -0.65 0.00 2.07 -0.50 -1.07 116.25 118.53 1n5r h VAL 378 Ca 0.34 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1n5r h VAL 378 Cb -0.14 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1n5r h VAL 378 CO -0.07 0.14 0.42 0.58 0.02 0.00 0.00 177.57 178.65 1n5r h VAL 379 N 0.08 1.12 -0.16 2.57 2.07 -0.64 -0.72 116.25 120.56 1n5r h VAL 379 Ca 0.05 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1n5r h VAL 379 Cb 0.17 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1n5r h VAL 379 CO -0.00 0.15 -0.40 -0.07 0.02 0.00 0.00 177.57 177.27 1n5r h LEU 380 N 0.83 0.39 -0.33 2.57 3.38 -0.79 -0.07 115.31 121.30 1n5r h LEU 380 Ca 0.25 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1n5r h LEU 380 Cb -0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1n5r h LEU 380 CO -0.08 0.75 -0.53 -0.74 0.09 0.00 0.00 178.44 177.93 1n5r h HIS 381 N 0.31 1.08 0.00 1.13 2.76 -0.82 -3.30 115.15 116.31 1n5r h HIS 381 Ca 0.03 -0.38 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 1n5r h HIS 381 Cb 0.84 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1n5r h HIS 381 CO 0.02 1.20 -0.82 1.88 -1.30 0.00 0.00 177.93 178.92 1n5r h TYR 382 N 0.67 0.00 -3.64 5.26 -1.99 -1.04 -3.46 116.97 112.77 1n5r h TYR 382 Ca 0.02 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.22 1n5r h TYR 382 Cb 1.13 0.00 0.07 0.00 2.00 0.00 0.00 36.73 39.93 1n5r h TYR 382 CO 0.07 0.00 0.72 0.99 -0.00 0.00 0.00 178.16 179.93 1n5r s THR 383 N -3.29 2.61 -0.59 -2.88 2.01 -0.05 -4.92 115.64 108.53 1n5r s THR 383 Ca 0.02 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.36 1n5r s THR 383 Cb 0.10 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.32 1n5r s THR 383 CO 0.76 0.11 0.86 -0.62 -0.69 0.00 0.00 174.62 175.04 1n5r s ASP 384 N -0.02 6.24 0.00 3.53 -1.08 -1.26 -4.93 116.67 119.15 1n5r s ASP 384 Ca 0.55 -0.81 0.12 0.00 -0.52 0.00 0.00 52.55 51.89 1n5r s ASP 384 Cb -0.42 -2.39 0.64 0.00 -1.46 0.00 0.00 42.92 39.30 1n5r s ASP 384 CO 0.49 -1.23 1.27 0.79 0.52 0.00 0.00 175.17 177.01 1n5r n TRP 385 N 7.18 0.00 0.03 -5.34 7.02 -1.26 -1.00 117.44 124.06 1n5r n TRP 385 Ca -0.03 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.39 1n5r n TRP 385 Cb 0.46 -0.22 -0.11 0.00 -2.42 0.00 0.00 31.31 29.02 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 -5.96 -0.99 3.38 -2.03 -3.39 115.31 106.32 1n5r h LEU 386 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1n5r h LEU 386 Cb 0.09 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.44 1n5r h LEU 386 CO 0.00 0.92 -1.19 1.41 0.09 0.00 0.00 178.44 179.67 1n5r n HIS 387 N -3.17 0.25 0.11 1.13 8.25 -0.53 -4.97 115.22 116.29 1n5r n HIS 387 Ca -0.08 -3.79 0.06 0.00 -0.26 0.00 0.00 57.72 53.65 1n5r n HIS 387 Cb 0.96 -0.42 0.30 0.00 1.12 0.00 0.00 29.99 31.95 1n5r n HIS 387 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1n5r n PRO 388 N 0.26 0.07 -0.02 -0.41 -0.04 -0.17 -1.72 135.00 132.98 1n5r n PRO 388 Ca 0.25 0.53 0.02 0.00 -0.04 0.00 0.00 63.50 64.25 1n5r n PRO 388 Cb 0.66 -1.90 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1n5r n PRO 388 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1n5r n GLU 389 N -1.89 0.38 -1.90 0.54 -0.58 -1.26 -4.86 120.64 111.08 1n5r n GLU 389 Ca -0.01 -0.98 -0.42 0.00 -0.42 0.00 0.00 57.16 55.33 1n5r n GLU 389 Cb 0.18 -1.09 -0.03 0.00 -0.57 0.00 0.00 31.44 29.93 1n5r n GLU 389 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1n5r s ASP 390 N -0.51 6.49 0.21 1.62 2.15 -0.70 -4.79 116.67 121.14 1n5r s ASP 390 Ca 0.06 2.26 -0.10 0.00 0.43 0.00 0.00 52.55 55.21 1n5r s ASP 390 Cb 0.04 -2.53 0.23 0.00 -0.30 0.00 0.00 42.92 40.36 1n5r s ASP 390 CO 0.06 -1.07 1.80 -0.65 -0.17 0.00 0.00 175.17 175.14 1n5r h PRO 391 N 10.34 0.63 -0.40 4.34 0.11 -1.91 -1.09 132.00 144.00 1n5r h PRO 391 Ca -0.42 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1n5r h PRO 391 Cb 1.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1n5r h PRO 391 CO 0.96 0.42 0.11 1.15 -0.21 0.00 0.00 178.00 180.43 1n5r h THR 392 N 0.65 1.22 -0.59 -1.15 2.02 -1.91 -1.12 112.91 112.03 1n5r h THR 392 Ca 0.29 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1n5r h THR 392 Cb 0.19 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1n5r h THR 392 CO -0.19 0.26 0.12 -0.74 0.37 0.00 0.00 175.52 175.34 1n5r h HIS 393 N 0.51 1.01 -0.71 3.16 -0.00 -1.85 -2.08 115.15 115.19 1n5r h HIS 393 Ca 0.13 -0.13 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 1n5r h HIS 393 Cb 0.28 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 1n5r h HIS 393 CO 0.01 0.87 0.27 -0.07 -0.00 0.00 0.00 177.93 179.01 1n5r h LEU 394 N 0.86 0.98 0.14 0.26 3.38 -1.03 0.20 115.31 120.10 1n5r h LEU 394 Ca 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n5r h LEU 394 Cb 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1n5r h LEU 394 CO 0.01 0.88 -0.07 -0.09 0.09 0.00 0.00 178.44 179.26 1n5r h ARG 395 N 1.03 -0.19 0.00 1.13 1.12 -1.04 -0.25 114.38 116.18 1n5r h ARG 395 Ca 0.24 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 59.05 1n5r h ARG 395 Cb 0.22 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 1n5r h ARG 395 CO -0.02 -0.05 -0.32 -0.44 -3.11 0.00 0.00 179.97 176.03 1n5r h ASP 396 N -0.28 0.00 0.36 -3.80 3.32 -1.10 -2.20 116.42 112.73 1n5r h ASP 396 Ca -0.02 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.85 1n5r h ASP 396 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1n5r h ASP 396 CO 0.03 0.32 -0.76 0.00 -1.72 0.00 0.00 179.24 177.11 1n5r h ALA 397 N 1.68 0.60 -0.52 3.45 0.00 -0.30 -1.38 119.26 122.79 1n5r h ALA 397 Ca -0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1n5r h ALA 397 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1n5r h ALA 397 CO 0.04 0.80 0.12 1.98 0.00 0.00 0.00 179.25 182.19 1n5r h MET 398 N 0.21 0.83 -0.40 0.00 1.85 -0.62 0.14 114.93 116.94 1n5r h MET 398 Ca -0.03 -0.20 -0.01 0.00 -0.61 0.00 0.00 59.70 58.84 1n5r h MET 398 Cb 1.34 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 33.25 1n5r h MET 398 CO 0.13 0.80 0.21 1.03 -0.40 0.00 0.00 176.91 178.68 1n5r h SER 399 N 0.72 0.50 -0.51 1.39 0.87 -1.28 -2.78 113.55 112.47 1n5r h SER 399 Ca 0.16 -0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 1n5r h SER 399 Cb 0.35 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1n5r h SER 399 CO 0.00 0.46 0.14 0.00 -0.53 0.00 0.00 176.83 176.90 1n5r h ALA 400 N 1.06 1.19 -0.22 6.23 0.00 -0.92 -1.52 119.26 125.09 1n5r h ALA 400 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n5r h ALA 400 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1n5r h ALA 400 CO -0.02 0.56 0.09 0.28 0.00 0.00 0.00 179.25 180.16 1n5r h VAL 401 N 0.83 0.97 -0.39 0.00 2.07 -0.79 0.15 116.25 119.09 1n5r h VAL 401 Ca 0.18 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 1n5r h VAL 401 Cb 0.30 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1n5r h VAL 401 CO -0.00 0.04 -0.15 0.58 0.02 0.00 0.00 177.57 178.06 1n5r h VAL 402 N 0.21 1.28 -0.26 2.57 2.07 -1.22 -1.76 116.25 119.14 1n5r h VAL 402 Ca 0.09 -1.27 -0.14 0.00 0.82 0.00 0.00 66.70 66.20 1n5r h VAL 402 Cb 0.04 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1n5r h VAL 402 CO -0.08 0.42 -0.43 1.23 0.02 0.00 0.00 177.57 178.74 1n5r h GLY 403 N 0.59 0.69 0.65 2.17 0.00 -1.19 -2.17 103.07 103.81 1n5r h GLY 403 Ca 0.09 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.64 1n5r h GLY 403 CO 0.05 0.64 -0.20 -0.55 0.00 0.00 0.00 176.54 176.49 1n5r h ASP 404 N 0.52 0.32 -0.65 0.19 3.32 -0.65 -0.89 116.42 118.58 1n5r h ASP 404 Ca 0.04 -0.58 -0.03 0.00 0.02 0.00 0.00 57.03 56.48 1n5r h ASP 404 Cb 0.95 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1n5r h ASP 404 CO 0.09 0.84 0.28 -0.74 -1.72 0.00 0.00 179.24 177.99 1n5r h HIS 405 N -0.19 0.96 0.00 4.55 2.76 -1.37 -0.14 115.15 121.72 1n5r h HIS 405 Ca -0.00 -0.06 -0.29 0.00 -2.20 0.00 0.00 60.37 57.82 1n5r h HIS 405 Cb 0.79 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 1n5r h HIS 405 CO 0.11 0.74 -1.80 0.09 -1.30 0.00 0.00 177.93 175.78 1n5r n ASN 406 N -4.45 0.70 0.04 3.26 3.02 -0.82 -4.57 115.26 112.45 1n5r n ASN 406 Ca 0.04 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1n5r n ASN 406 Cb 0.15 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1n5r n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1n5r n VAL 407 N -2.96 0.46 -0.01 2.41 0.31 -0.51 -4.69 118.33 113.35 1n5r n VAL 407 Ca -0.19 0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 64.20 1n5r n VAL 407 Cb 1.04 -1.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.44 -0.20 2.52 2.07 -1.29 0.11 116.25 119.90 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 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1n5r h VAL 408 CO 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 177.57 177.10 1n5r h PRO 410 N 0.43 0.44 -0.41 0.00 0.11 -1.61 0.19 132.00 131.14 1n5r h PRO 410 Ca 0.02 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 1n5r h PRO 410 Cb 1.01 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1n5r h PRO 410 CO 0.09 0.56 -0.11 0.28 -0.21 0.00 0.00 178.00 178.61 1n5r h VAL 411 N 0.41 1.28 -0.59 3.15 2.07 -0.39 -0.57 116.25 121.59 1n5r h VAL 411 Ca 0.08 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1n5r h VAL 411 Cb 0.45 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1n5r h VAL 411 CO 0.03 0.41 0.30 0.00 0.02 0.00 0.00 177.57 178.32 1n5r h ALA 412 N 0.84 0.76 -0.17 1.67 0.00 -0.67 0.43 119.26 122.13 1n5r h ALA 412 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1n5r h ALA 412 Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1n5r h ALA 412 CO 0.04 0.31 -0.01 0.37 0.00 0.00 0.00 179.25 179.97 1n5r h GLN 413 N 0.81 0.04 0.16 0.00 5.75 -0.81 -1.18 115.11 119.88 1n5r h GLN 413 Ca 0.20 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1n5r h GLN 413 Cb 0.10 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 1n5r h GLN 413 CO -0.03 0.03 -0.11 1.25 -2.65 0.00 0.00 178.83 177.32 1n5r h LEU 414 N 0.04 -0.27 -0.83 -2.39 5.85 -0.65 -1.76 115.31 115.32 1n5r h LEU 414 Ca 0.08 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1n5r h LEU 414 Cb 0.10 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1n5r h LEU 414 CO -0.14 -0.17 0.49 0.00 -0.34 0.00 0.00 178.44 178.27 1n5r h ALA 415 N 0.56 1.16 -0.20 1.25 0.00 -0.79 -0.79 119.26 120.46 1n5r h ALA 415 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n5r h ALA 415 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n5r h ALA 415 CO 0.01 0.15 0.07 0.78 0.00 0.00 0.00 179.25 180.26 1n5r h GLY 416 N 0.84 0.32 0.90 0.00 0.00 -0.95 -1.24 103.07 102.93 1n5r h GLY 416 Ca 0.38 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 1n5r h GLY 416 CO -0.22 0.17 -0.07 3.21 0.00 0.00 0.00 176.54 179.63 1n5r h ARG 417 N 0.16 0.59 -0.56 4.80 2.47 -0.95 -1.21 114.38 119.67 1n5r h ARG 417 Ca 0.06 -0.22 0.03 0.00 -1.26 0.00 0.00 59.98 58.59 1n5r h ARG 417 Cb 0.20 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 1n5r h ARG 417 CO -0.00 0.78 0.34 -0.07 0.56 0.00 0.00 179.97 181.57 1n5r h LEU 418 N 0.35 0.54 0.05 3.04 3.38 -1.14 -0.67 115.31 120.86 1n5r h LEU 418 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n5r h LEU 418 Cb 0.56 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1n5r h LEU 418 CO 0.03 0.38 -0.02 0.00 0.09 0.00 0.00 178.44 178.91 1n5r h ALA 419 N 1.25 -0.06 -0.04 1.53 0.00 -1.16 -0.98 119.26 119.80 1n5r h ALA 419 Ca 0.23 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1n5r h ALA 419 Cb 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n5r h ALA 419 CO -0.11 -0.41 0.05 0.00 0.00 0.00 0.00 179.25 178.79 1n5r h ALA 420 N 0.61 1.50 -0.73 0.00 0.00 -0.95 -2.86 119.26 116.84 1n5r h ALA 420 Ca -0.01 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1n5r h ALA 420 Cb 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.80 1n5r h ALA 420 CO 0.01 -0.07 0.05 1.04 0.00 0.00 0.00 179.25 180.28 1n5r n GLN 421 N -3.70 2.68 0.00 0.00 6.02 -0.28 -4.95 117.38 117.14 1n5r n GLN 421 Ca -0.02 -3.51 0.00 0.00 -0.01 0.00 0.00 57.00 53.46 1n5r n GLN 421 Cb 0.14 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.26 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 -0.94 3.24 3.83 1.08 0.00 -1.08 -1.17 105.19 110.15 1n5r n GLY 422 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.89 2.90 -0.27 4.61 0.00 -0.41 -4.19 121.76 121.53 1n5r s ALA 423 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 1n5r s ALA 423 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1n5r s ALA 423 CO 0.00 -0.74 0.37 0.50 0.00 0.00 0.00 175.76 175.89 1n5r s ARG 424 N -4.62 4.03 -0.05 0.00 6.06 -0.38 -4.40 118.95 119.59 1n5r s ARG 424 Ca 0.59 0.05 0.06 0.00 -2.50 0.00 0.00 55.73 53.92 1n5r s ARG 424 Cb -0.13 -3.65 -0.01 0.00 0.06 0.00 0.00 34.95 31.23 1n5r s ARG 424 CO 0.45 -0.26 -0.23 0.08 -2.50 0.00 0.00 175.30 172.84 1n5r s VAL 425 N 2.02 1.89 -0.04 7.11 1.01 -1.26 -0.32 120.40 130.81 1n5r s VAL 425 Ca 0.15 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1n5r s VAL 425 Cb -0.16 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1n5r s VAL 425 CO 0.10 0.53 -0.25 -0.31 0.00 0.00 0.00 175.10 175.17 1n5r s TYR 426 N -0.19 2.28 0.06 5.22 1.51 -0.16 0.13 117.35 126.20 1n5r s TYR 426 Ca -0.01 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 1n5r s TYR 426 Cb -0.12 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1n5r s TYR 426 CO 0.03 -0.11 -0.14 0.00 -1.11 0.00 0.00 175.55 174.21 1n5r s ALA 427 N -0.39 1.19 0.16 3.71 0.00 -1.26 -0.57 121.76 124.61 1n5r s ALA 427 Ca 0.04 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 1n5r s ALA 427 Cb -0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1n5r s ALA 427 CO 0.01 0.19 0.25 1.52 0.00 0.00 0.00 175.76 177.73 1n5r s TYR 428 N -1.13 0.47 -0.07 0.00 -0.85 -0.51 -1.51 117.35 113.76 1n5r s TYR 428 Ca -0.01 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 1n5r s TYR 428 Cb -0.09 -0.12 0.02 0.00 0.38 0.00 0.00 41.96 42.15 1n5r s TYR 428 CO 0.02 -0.69 -0.06 -1.50 -1.52 0.00 0.00 175.55 171.80 1n5r s ILE 429 N -3.98 0.76 -0.26 -3.49 2.07 -0.39 -2.08 121.20 113.83 1n5r s ILE 429 Ca 0.18 -0.19 -0.16 0.00 -1.41 0.00 0.00 60.65 59.07 1n5r s ILE 429 Cb 0.04 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1n5r s ILE 429 CO 0.00 0.30 0.42 0.12 -1.91 0.00 0.00 174.94 173.87 1n5r s PHE 430 N 1.29 3.26 -0.06 3.50 2.19 0.47 -0.67 117.98 127.96 1n5r s PHE 430 Ca -0.04 0.50 0.03 0.00 0.33 0.00 0.00 56.93 57.75 1n5r s PHE 430 Cb -0.14 -2.62 0.06 0.00 -1.31 0.00 0.00 43.02 39.01 1n5r s PHE 430 CO -0.02 -0.23 1.04 0.39 1.83 0.00 0.00 175.22 178.22 1n5r n GLU 431 N 5.35 2.74 -3.43 10.12 1.02 0.06 -0.73 120.64 135.77 1n5r n GLU 431 Ca -0.07 -1.69 -0.38 0.00 -0.02 0.00 0.00 57.16 55.00 1n5r n GLU 431 Cb 0.50 -1.09 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 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 -1.30 3.38 -0.21 -0.32 2.46 -1.25 -4.94 115.29 113.13 1n5r s HIS 432 Ca 0.06 0.59 -0.20 0.00 0.47 0.00 0.00 55.06 55.97 1n5r s HIS 432 Cb 0.05 -2.48 -0.03 0.00 -0.13 0.00 0.00 32.58 29.99 1n5r s HIS 432 CO 0.01 0.03 0.61 0.50 -2.47 0.00 0.00 174.74 173.43 1n5r s ARG 433 N 1.16 4.19 0.23 2.88 3.52 -1.26 -4.91 118.95 124.75 1n5r s ARG 433 Ca 0.18 0.58 -0.32 0.00 -0.13 0.00 0.00 55.73 56.04 1n5r s ARG 433 Cb -0.14 -3.59 -0.13 0.00 -1.56 0.00 0.00 34.95 29.53 1n5r s ARG 433 CO 0.07 -0.25 1.44 0.00 -0.81 0.00 0.00 175.30 175.76 1n5r n ALA 434 N 5.10 1.20 0.31 6.12 0.00 -1.26 -4.83 120.51 127.14 1n5r n ALA 434 Ca -0.02 0.42 0.19 0.00 0.00 0.00 0.00 53.44 54.03 1n5r n ALA 434 Cb 0.50 -2.29 1.01 0.00 0.00 0.00 0.00 19.45 18.67 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 4.53 0.00 -0.51 0.00 4.64 -1.96 -1.58 113.55 118.67 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 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1n5r h SER 435 CO 0.78 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 177.11 1n5r n THR 436 N -3.27 0.67 -1.84 2.95 -2.24 -1.26 -4.98 114.28 104.31 1n5r n THR 436 Ca -0.02 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 1n5r n THR 436 Cb 0.14 0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 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 4.34 0.00 3.22 2.96 -0.60 -4.92 118.68 122.47 1n5r s LEU 437 Ca 0.40 2.98 0.14 0.00 -0.22 0.00 0.00 54.13 57.43 1n5r s LEU 437 Cb 0.22 -3.66 0.04 0.00 0.50 0.00 0.00 46.19 43.29 1n5r s LEU 437 CO 0.29 -0.83 0.83 0.35 -1.32 0.00 0.00 176.35 175.66 1n5r n THR 438 N 0.79 0.00 -2.45 3.68 -2.24 -1.26 -4.95 114.28 107.84 1n5r n THR 438 Ca 0.02 -0.41 -0.32 0.00 -2.27 0.00 0.00 64.05 61.06 1n5r n THR 438 Cb 0.39 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.47 3.36 0.94 4.78 0.52 -1.26 -4.91 118.94 120.90 1n5r s TRP 439 Ca 0.13 1.50 -0.10 0.00 0.02 0.00 0.00 56.10 57.65 1n5r s TRP 439 Cb 0.11 -2.83 0.16 0.00 -1.15 0.00 0.00 33.47 29.76 1n5r s TRP 439 CO 0.27 -0.41 1.14 -1.25 0.02 0.00 0.00 176.95 176.72 1n5r s PRO 440 N -3.87 0.82 0.42 4.98 0.04 -1.26 -4.91 135.00 131.21 1n5r s PRO 440 Ca 0.60 1.49 0.09 0.00 0.04 0.00 0.00 61.00 63.23 1n5r s PRO 440 Cb -0.11 -1.71 0.89 0.00 0.04 0.00 0.00 34.50 33.61 1n5r s PRO 440 CO 0.28 -2.75 2.02 -0.07 0.04 0.00 0.00 177.00 176.52 1n5r h LEU 441 N -1.96 0.33 -2.62 -3.56 3.38 -1.94 -2.68 115.31 106.26 1n5r h LEU 441 Ca -0.45 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1n5r h LEU 441 Cb 1.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1n5r h LEU 441 CO 0.42 0.31 0.00 4.11 0.09 0.00 0.00 178.44 183.37 1n5r h TRP 442 N 0.37 0.00 0.00 1.13 5.08 -1.93 -0.64 115.95 119.96 1n5r h TRP 442 Ca 0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.06 1n5r h TRP 442 Cb 0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.25 1n5r h TRP 442 CO 0.00 0.00 0.00 -1.33 -1.28 0.00 0.00 178.44 175.83 1n5r n MET 443 N -3.04 0.14 0.00 0.12 2.81 -1.01 -4.99 117.12 111.15 1n5r n MET 443 Ca -0.02 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1n5r n MET 443 Cb 0.12 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 1.32 3.39 3.24 3.03 0.00 -0.25 -3.76 105.19 112.16 1n5r n GLY 444 Ca 0.09 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 4.74 0.78 1.61 1.01 -1.26 -4.85 120.40 122.44 1n5r s VAL 445 Ca 0.00 -2.18 -0.11 0.00 0.00 0.00 0.00 61.98 59.68 1n5r s VAL 445 Cb 0.00 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.41 1n5r s VAL 445 CO 0.00 -0.89 1.09 -2.84 0.00 0.00 0.00 175.10 172.45 1n5r s PRO 446 N 0.74 2.19 -0.05 2.72 0.02 -1.25 -1.52 135.00 137.85 1n5r s PRO 446 Ca 0.11 0.78 -0.37 0.00 0.02 0.00 0.00 61.00 61.54 1n5r s PRO 446 Cb -0.21 -1.92 -0.15 0.00 0.02 0.00 0.00 34.50 32.24 1n5r s PRO 446 CO -0.03 -1.58 1.57 1.58 -0.33 0.00 0.00 177.00 178.21 1n5r n HIS 447 N -3.43 1.89 0.00 6.54 -0.00 -1.24 -1.90 115.22 117.09 1n5r n HIS 447 Ca 0.07 0.48 0.00 0.00 -0.00 0.00 0.00 57.72 58.27 1n5r n HIS 447 Cb 0.55 -2.44 0.00 0.00 -0.00 0.00 0.00 29.99 28.10 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 3.44 1.26 0.72 1.57 0.00 -1.26 -4.95 105.19 105.97 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 0.55 0.02 1.61 4.02 -0.80 -3.00 117.16 117.56 1n5r n TYR 449 Ca 0.00 -0.23 0.09 0.00 -0.01 0.00 0.00 57.90 57.75 1n5r n TYR 449 Cb 0.00 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.12 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 0.64 -0.06 -0.72 0.00 -1.26 -4.56 120.64 115.04 1n5r n GLU 450 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 57.16 57.12 1n5r n GLU 450 Cb 0.38 -1.63 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 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 0.72 -0.37 3.84 2.04 -1.93 -1.38 117.51 120.43 1n5r h ILE 451 Ca -0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.93 1n5r h ILE 451 Cb 1.10 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1n5r h ILE 451 CO 0.00 0.00 0.30 1.05 0.00 0.00 0.00 178.15 179.51 1n5r h GLU 452 N -0.03 0.00 0.10 2.37 4.11 -1.80 -1.48 114.58 117.86 1n5r h GLU 452 Ca 0.12 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.31 1n5r h GLU 452 Cb 0.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1n5r h GLU 452 CO -0.27 0.00 -1.02 0.74 0.07 0.00 0.00 179.01 178.53 1n5r h PHE 453 N 0.00 0.83 -0.89 2.06 0.04 -1.54 -1.67 116.94 115.78 1n5r h PHE 453 Ca 0.18 -0.53 -0.01 0.00 2.80 0.00 0.00 57.97 60.41 1n5r h PHE 453 Cb 0.78 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.83 1n5r h PHE 453 CO 0.00 1.38 0.50 0.82 -0.60 0.00 0.00 178.31 180.41 1n5r h ILE 454 N 0.06 1.25 -0.00 -0.55 1.08 -0.93 -1.90 117.51 116.52 1n5r h ILE 454 Ca -0.16 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1n5r h ILE 454 Cb 1.74 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 1n5r h ILE 454 CO 0.20 0.28 -0.01 0.49 -0.69 0.00 0.00 178.15 178.41 1n5r n PHE 455 N -4.34 0.00 -1.08 1.37 3.01 -0.63 -4.43 117.46 111.35 1n5r n PHE 455 Ca 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.55 1n5r n PHE 455 Cb 0.09 -0.26 -0.00 0.00 -0.01 0.00 0.00 39.48 39.29 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 1.27 0.44 0.37 1.37 0.00 -0.72 -4.16 105.19 103.77 1n5r n GLY 456 Ca 0.15 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.23 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 0.65 -2.14 0.99 4.07 -1.56 -1.68 115.31 115.64 1n5r h LEU 457 Ca -0.02 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1n5r h LEU 457 Cb 0.11 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 1n5r h LEU 457 CO 0.03 0.35 0.29 -0.65 -1.08 0.00 0.00 178.44 177.38 1n5r h PRO 458 N 0.71 0.00 0.00 1.13 0.11 -1.91 0.40 132.00 132.44 1n5r h PRO 458 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1n5r h PRO 458 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1n5r h PRO 458 CO -0.18 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.89 1n5r n LEU 459 N -2.95 0.43 -4.54 2.35 4.32 -0.63 -4.45 117.00 111.53 1n5r n LEU 459 Ca -0.02 0.62 -0.43 0.00 -0.02 0.00 0.00 56.01 56.16 1n5r n LEU 459 Cb 0.34 -0.57 -0.05 0.00 -1.62 0.00 0.00 43.42 41.52 1n5r n LEU 459 CO 0.15 -0.50 0.58 -0.62 -1.22 0.00 0.00 177.39 175.78 1n5r s ASP 460 N -3.80 6.41 0.32 -1.43 -1.08 0.13 -4.79 116.67 112.42 1n5r s ASP 460 Ca 0.04 -0.13 0.09 0.00 -0.52 0.00 0.00 52.55 52.03 1n5r s ASP 460 Cb 0.09 -2.39 0.87 0.00 -1.46 0.00 0.00 42.92 40.03 1n5r s ASP 460 CO 0.32 -0.94 1.72 -0.65 0.52 0.00 0.00 175.17 176.14 1n5r h PRO 461 N 9.01 0.54 0.00 4.34 0.11 -1.87 -0.79 132.00 143.34 1n5r h PRO 461 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1n5r h PRO 461 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1n5r h PRO 461 CO 0.97 0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 177.99 1n5r n SER 462 N -4.90 0.00 -0.15 -2.05 3.41 -1.26 -2.66 113.62 106.01 1n5r n SER 462 Ca 0.26 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1n5r n SER 462 Cb 0.74 -0.46 0.45 0.00 -0.26 0.00 0.00 64.21 64.67 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 -1.46 0.69 -1.65 1.04 4.77 -0.30 -4.97 117.00 115.11 1n5r n LEU 463 Ca 0.03 -0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.78 1n5r n LEU 463 Cb 0.11 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1n5r n LEU 463 CO 0.09 0.13 -0.19 0.59 -1.33 0.00 0.00 177.39 176.69 1n5r n ASN 464 N -0.95 -4.51 -4.85 -1.43 3.02 -1.09 -5.02 115.26 100.44 1n5r n ASN 464 Ca 0.11 0.01 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 1n5r n ASN 464 Cb 0.32 -3.63 -0.02 0.00 -0.61 0.00 0.00 39.78 35.84 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 -2.73 3.50 0.81 3.10 2.02 -1.26 -4.89 117.35 117.90 1n5r s TYR 465 Ca 0.00 1.42 -0.11 0.00 -0.37 0.00 0.00 57.07 58.00 1n5r s TYR 465 Cb 0.00 -2.77 0.07 0.00 -0.40 0.00 0.00 41.96 38.86 1n5r s TYR 465 CO 0.00 -0.47 1.09 0.95 -1.57 0.00 0.00 175.55 175.55 1n5r s THR 466 N -2.78 3.13 0.33 -0.71 -4.23 -1.26 -4.87 115.64 105.25 1n5r s THR 466 Ca 0.58 0.37 0.01 0.00 -1.18 0.00 0.00 61.69 61.46 1n5r s THR 466 Cb -0.10 -3.01 0.27 0.00 1.34 0.00 0.00 72.50 70.99 1n5r s THR 466 CO 0.38 -0.48 1.99 0.74 -0.54 0.00 0.00 174.62 176.71 1n5r h THR 467 N -1.16 1.16 -0.48 3.99 2.02 -1.97 -1.55 112.91 114.93 1n5r h THR 467 Ca -0.47 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 1n5r h THR 467 Cb 1.26 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1n5r h THR 467 CO 0.57 0.17 -0.04 -0.33 0.37 0.00 0.00 175.52 176.26 1n5r h GLU 468 N 0.95 0.82 -0.59 6.66 3.07 -2.00 -2.35 114.58 121.14 1n5r h GLU 468 Ca 0.28 -0.24 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 1n5r h GLU 468 Cb -0.06 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.75 1n5r h GLU 468 CO -0.07 0.85 0.15 0.93 -1.40 0.00 0.00 179.01 179.48 1n5r h GLU 469 N 0.75 0.90 -0.60 2.33 5.08 -1.66 0.50 114.58 121.88 1n5r h GLU 469 Ca 0.14 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1n5r h GLU 469 Cb 0.52 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1n5r h GLU 469 CO 0.03 0.80 0.22 -0.09 -1.00 0.00 0.00 179.01 178.96 1n5r h ARG 470 N 0.87 0.91 -0.49 2.33 2.43 -1.02 0.20 114.38 119.61 1n5r h ARG 470 Ca 0.19 -0.18 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1n5r h ARG 470 Cb 0.30 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1n5r h ARG 470 CO -0.00 0.80 -0.22 0.82 -1.51 0.00 0.00 179.97 179.85 1n5r h ILE 471 N 0.84 1.27 -0.35 1.20 2.04 -1.07 -2.32 117.51 119.11 1n5r h ILE 471 Ca 0.20 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1n5r h ILE 471 Cb 0.24 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1n5r h ILE 471 CO -0.01 0.48 0.20 0.15 0.00 0.00 0.00 178.15 178.96 1n5r h PHE 472 N 0.87 0.48 -0.38 1.37 3.57 -0.60 -1.74 116.94 120.50 1n5r h PHE 472 Ca 0.11 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1n5r h PHE 472 Cb 0.80 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1n5r h PHE 472 CO 0.05 0.38 0.16 0.00 -2.23 0.00 0.00 178.31 176.67 1n5r h ALA 473 N 1.06 0.46 -0.86 2.41 0.00 -0.46 -1.65 119.26 120.23 1n5r h ALA 473 Ca 0.12 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1n5r h ALA 473 Cb 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1n5r h ALA 473 CO -0.02 -0.22 0.52 1.96 0.00 0.00 0.00 179.25 181.49 1n5r h GLN 474 N 0.33 0.88 -0.29 0.00 4.20 -1.15 -0.50 115.11 118.58 1n5r h GLN 474 Ca 0.17 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1n5r h GLN 474 Cb 0.12 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1n5r h GLN 474 CO -0.15 0.58 0.19 0.00 -0.67 0.00 0.00 178.83 178.78 1n5r h ARG 475 N 0.91 0.39 -0.43 1.46 3.08 -0.44 -2.02 114.38 117.33 1n5r h ARG 475 Ca 0.39 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.39 1n5r h ARG 475 Cb 0.27 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1n5r h ARG 475 CO -0.21 0.26 0.15 -0.07 -1.07 0.00 0.00 179.97 179.03 1n5r h LEU 476 N 0.39 0.61 -1.38 3.04 3.38 -0.60 -1.05 115.31 119.70 1n5r h LEU 476 Ca 0.11 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1n5r h LEU 476 Cb -0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1n5r h LEU 476 CO -0.02 0.64 0.45 0.24 0.09 0.00 0.00 178.44 179.84 1n5r h MET 477 N 0.55 0.78 -0.30 1.13 2.86 -1.02 0.05 114.93 118.98 1n5r h MET 477 Ca 0.14 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1n5r h MET 477 Cb 0.24 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1n5r h MET 477 CO -0.01 0.52 0.01 0.87 1.06 0.00 0.00 176.91 179.36 1n5r h LYS 478 N 0.80 0.52 -0.20 1.72 1.79 -0.85 -0.56 116.57 119.79 1n5r h LYS 478 Ca 0.28 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1n5r h LYS 478 Cb 0.09 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1n5r h LYS 478 CO -0.08 0.66 0.12 1.88 -1.08 0.00 0.00 179.45 180.94 1n5r h TYR 479 N 0.31 0.27 -0.45 -1.35 0.05 -0.24 0.14 116.97 115.71 1n5r h TYR 479 Ca 0.08 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 1n5r h TYR 479 Cb 0.42 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1n5r h TYR 479 CO 0.03 0.22 0.16 -1.49 -1.05 0.00 0.00 178.16 176.04 1n5r h TRP 480 N 0.23 0.70 0.00 4.88 6.55 -0.99 -0.09 115.95 127.23 1n5r h TRP 480 Ca 0.07 -0.06 -0.16 0.00 0.95 0.00 0.00 58.89 59.69 1n5r h TRP 480 Cb 0.04 -0.21 -0.02 0.00 -0.86 0.00 0.00 29.16 28.11 1n5r h TRP 480 CO -0.05 0.61 -0.76 1.79 -1.05 0.00 0.00 178.44 178.98 1n5r h THR 481 N 0.58 1.49 -0.45 1.49 1.35 -1.05 0.37 112.91 116.70 1n5r h THR 481 Ca 0.15 -2.66 -0.07 0.00 -0.55 0.00 0.00 66.41 63.27 1n5r h THR 481 Cb 0.23 2.46 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 1n5r h THR 481 CO -0.01 0.75 0.01 0.78 -0.25 0.00 0.00 175.52 176.80 1n5r h ASN 482 N 0.00 0.77 -0.53 5.36 2.35 -0.58 0.50 115.58 123.44 1n5r h ASN 482 Ca -0.01 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1n5r h ASN 482 Cb 1.40 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 1n5r h ASN 482 CO 0.10 0.88 0.31 0.15 -1.65 0.00 0.00 177.43 177.22 1n5r h PHE 483 N 0.63 0.72 -0.81 1.19 3.57 -0.80 0.11 116.94 121.55 1n5r h PHE 483 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1n5r h PHE 483 Cb 0.48 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1n5r h PHE 483 CO 0.04 0.51 0.52 0.00 -2.23 0.00 0.00 178.31 177.15 1n5r h ALA 484 N 1.14 1.03 -0.24 2.41 0.00 -0.58 0.36 119.26 123.37 1n5r h ALA 484 Ca 0.19 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1n5r h ALA 484 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1n5r h ALA 484 CO -0.03 0.46 -0.39 0.00 0.00 0.00 0.00 179.25 179.29 1n5r h ARG 485 N 1.11 0.69 0.00 0.00 3.08 -0.39 -3.40 114.38 115.46 1n5r h ARG 485 Ca 0.30 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1n5r h ARG 485 Cb -0.10 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1n5r h ARG 485 CO -0.06 1.04 0.00 0.25 -1.07 0.00 0.00 179.97 180.13 1n5r n THR 486 N -4.21 0.00 -0.91 2.04 -2.24 0.35 -4.99 114.28 104.32 1n5r n THR 486 Ca -0.05 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1n5r n THR 486 Cb 0.53 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.65 0.50 2.83 3.38 0.00 0.12 -5.01 105.19 107.67 1n5r n GLY 487 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 0.89 0.31 1.61 -1.08 -1.25 -4.90 116.67 109.86 1n5r s ASP 488 Ca 0.00 0.22 0.24 0.00 -0.52 0.00 0.00 52.55 52.50 1n5r s ASP 488 Cb 0.00 0.32 1.11 0.00 -1.46 0.00 0.00 42.92 42.90 1n5r s ASP 488 CO 0.00 -0.26 1.74 1.55 0.52 0.00 0.00 175.17 178.71 1n5r h PRO 489 N 8.35 0.00 -6.90 4.34 0.13 -1.82 -3.17 132.00 132.93 1n5r h PRO 489 Ca -0.14 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.49 1n5r h PRO 489 Cb 1.12 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.29 1n5r h PRO 489 CO 0.17 0.00 0.49 -0.80 -0.23 0.00 0.00 178.00 177.64 1n5r s ASN 490 N -4.31 6.81 -0.40 1.44 0.01 -1.26 -4.39 114.94 112.84 1n5r s ASN 490 Ca 0.02 2.31 -0.29 0.00 -0.71 0.00 0.00 52.86 54.19 1n5r s ASN 490 Cb 0.08 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.14 1n5r s ASN 490 CO 0.34 -0.47 1.22 -0.62 -1.51 0.00 0.00 177.10 176.07 1n5r s ASP 491 N -1.06 6.62 0.44 -1.22 -1.08 -1.26 -4.91 116.67 114.21 1n5r s ASP 491 Ca 0.52 0.79 0.25 0.00 -0.52 0.00 0.00 52.55 53.60 1n5r s ASP 491 Cb -0.31 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 39.89 1n5r s ASP 491 CO 0.39 -1.20 1.75 -0.65 0.52 0.00 0.00 175.17 175.98 1n5r h PRO 492 N 9.39 0.23 0.00 4.34 0.11 -1.94 -3.30 132.00 140.83 1n5r h PRO 492 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1n5r h PRO 492 Cb 1.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1n5r h PRO 492 CO 1.08 0.15 0.00 0.54 -0.21 0.00 0.00 178.00 179.57 1n5r n ARG 493 N -4.51 0.00 -0.83 1.05 1.74 -1.26 -4.84 116.66 108.01 1n5r n ARG 493 Ca 0.27 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.16 1n5r n ARG 493 Cb 1.08 -0.04 -0.10 0.00 -1.02 0.00 0.00 32.46 32.38 1n5r n ARG 493 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1n5r n ASP 494 N -0.05 -0.19 0.05 0.55 -0.08 -1.25 -4.78 116.55 110.80 1n5r n ASP 494 Ca 0.00 -0.05 0.11 0.00 -1.51 0.00 0.00 54.79 53.35 1n5r n ASP 494 Cb 0.00 -0.43 0.01 0.00 2.34 0.00 0.00 41.12 43.04 1n5r n ASP 494 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1n5r n SER 495 N 4.84 0.62 0.32 1.67 7.64 -1.26 -4.31 113.62 123.15 1n5r n SER 495 Ca 0.37 0.01 -0.19 0.00 1.01 0.00 0.00 58.87 60.08 1n5r n SER 495 Cb 0.04 0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 63.89 1n5r n SER 495 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1n5r h LYS 496 N 0.00 -1.01 -6.49 1.43 6.56 -1.98 -3.43 116.57 111.66 1n5r h LYS 496 Ca 0.00 0.07 -0.61 0.00 -1.06 0.00 0.00 60.65 59.05 1n5r h LYS 496 Cb 0.84 0.23 0.07 0.00 -0.57 0.00 0.00 32.23 32.80 1n5r h LYS 496 CO 0.00 -0.67 0.57 0.43 -2.06 0.00 0.00 179.45 177.71 1n5r n SER 497 N -5.54 2.44 -4.70 0.86 7.64 -1.26 -4.89 113.62 108.18 1n5r n SER 497 Ca -0.13 1.13 -0.40 0.00 1.01 0.00 0.00 58.87 60.48 1n5r n SER 497 Cb 0.47 -1.36 0.02 0.00 -1.01 0.00 0.00 64.21 62.33 1n5r n SER 497 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1n5r n PRO 498 N 2.31 1.76 -2.43 1.43 -0.04 -1.26 -4.95 135.00 131.82 1n5r n PRO 498 Ca 0.14 0.63 -0.33 0.00 -0.04 0.00 0.00 63.50 63.90 1n5r n PRO 498 Cb 0.28 -2.38 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1n5r n PRO 498 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1n5r s GLN 499 N -2.37 3.78 -0.46 0.54 -1.52 -1.26 -4.88 119.66 113.49 1n5r s GLN 499 Ca 0.64 1.20 -0.16 0.00 -1.95 0.00 0.00 55.36 55.09 1n5r s GLN 499 Cb -0.48 -2.10 0.06 0.00 -0.22 0.00 0.00 33.01 30.26 1n5r s GLN 499 CO 0.55 -0.43 0.39 -0.46 -0.25 0.00 0.00 175.29 175.09 1n5r s TRP 500 N -2.27 3.23 0.49 0.91 -0.11 -1.26 -4.94 118.94 115.00 1n5r s TRP 500 Ca 0.64 -0.80 -0.18 0.00 1.22 0.00 0.00 56.10 56.97 1n5r s TRP 500 Cb -0.14 -3.04 -0.09 0.00 -1.50 0.00 0.00 33.47 28.71 1n5r s TRP 500 CO 0.25 -0.76 0.98 -1.25 -4.62 0.00 0.00 176.95 171.56 1n5r s PRO 501 N 1.72 4.00 0.68 5.86 0.04 -1.26 -4.87 135.00 141.16 1n5r s PRO 501 Ca 0.05 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 1n5r s PRO 501 Cb -0.22 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.18 1n5r s PRO 501 CO 0.08 -0.23 1.19 -2.14 0.04 0.00 0.00 177.00 175.94 1n5r s PRO 502 N -3.77 2.50 -0.01 0.56 0.02 -1.26 -4.71 135.00 128.32 1n5r s PRO 502 Ca 0.60 1.72 -0.22 0.00 0.02 0.00 0.00 61.00 63.13 1n5r s PRO 502 Cb -0.10 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1n5r s PRO 502 CO 0.26 -1.55 0.64 -0.47 -0.33 0.00 0.00 177.00 175.54 1n5r s TYR 503 N -1.92 3.66 0.13 6.54 6.14 0.34 -4.53 117.35 127.72 1n5r s TYR 503 Ca 0.74 1.24 0.04 0.00 0.64 0.00 0.00 57.07 59.74 1n5r s TYR 503 Cb -0.28 -2.68 -0.04 0.00 0.42 0.00 0.00 41.96 39.37 1n5r s TYR 503 CO 0.41 0.28 -0.10 0.95 0.64 0.00 0.00 175.55 177.73 1n5r s THR 504 N 0.06 1.11 0.29 4.34 -4.23 -1.26 -4.43 115.64 111.52 1n5r s THR 504 Ca 0.33 -1.97 0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1n5r s THR 504 Cb -0.18 -1.74 0.04 0.00 1.34 0.00 0.00 72.50 71.96 1n5r s THR 504 CO 0.18 -0.71 1.70 0.71 -0.54 0.00 0.00 174.62 175.96 1n5r h THR 505 N 2.96 1.30 0.72 3.99 1.35 -1.92 0.64 112.91 121.95 1n5r h THR 505 Ca -0.37 -1.46 -0.04 0.00 -0.55 0.00 0.00 66.41 63.99 1n5r h THR 505 Cb 1.19 1.61 0.01 0.00 -1.73 0.00 0.00 68.15 69.23 1n5r h THR 505 CO 0.61 0.44 -0.35 0.00 -0.25 0.00 0.00 175.52 175.98 1n5r h ALA 506 N 1.35 -1.06 0.00 6.62 0.00 -2.00 -3.37 119.26 120.80 1n5r h ALA 506 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1n5r h ALA 506 Cb 0.79 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1n5r h ALA 506 CO 0.06 -0.99 -1.39 0.00 0.00 0.00 0.00 179.25 176.93 1n5r n ALA 507 N -2.62 2.59 -3.98 0.00 0.00 -1.23 -5.01 120.51 110.27 1n5r n ALA 507 Ca -0.12 -0.36 -0.28 0.00 0.00 0.00 0.00 53.44 52.68 1n5r n ALA 507 Cb 0.38 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.54 -3.93 -3.15 0.00 6.02 0.22 -4.33 117.38 109.67 1n5r n GLN 508 Ca -0.02 0.46 -0.38 0.00 -0.01 0.00 0.00 57.00 57.06 1n5r n GLN 508 Cb 0.58 -4.95 -0.06 0.00 1.02 0.00 0.00 30.24 26.82 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 -6.58 4.28 0.18 -1.09 -0.21 -1.26 -0.51 119.66 114.47 1n5r s GLN 509 Ca 0.32 0.86 -0.12 0.00 0.02 0.00 0.00 55.36 56.44 1n5r s GLN 509 Cb -0.17 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.76 1n5r s GLN 509 CO 0.88 0.52 0.37 1.52 -2.12 0.00 0.00 175.29 176.45 1n5r s TYR 510 N -1.31 0.23 0.26 0.91 1.13 -0.53 -3.90 117.35 114.15 1n5r s TYR 510 Ca 0.37 -0.59 0.11 0.00 -1.41 0.00 0.00 57.07 55.55 1n5r s TYR 510 Cb -0.19 0.10 -0.05 0.00 -1.10 0.00 0.00 41.96 40.72 1n5r s TYR 510 CO 0.21 -0.79 -0.11 0.14 -2.51 0.00 0.00 175.55 172.49 1n5r s VAL 511 N -3.94 2.94 -0.16 -3.49 -7.23 -0.57 -0.58 120.40 107.37 1n5r s VAL 511 Ca 0.15 -2.13 -0.16 0.00 -1.81 0.00 0.00 61.98 58.02 1n5r s VAL 511 Cb 0.02 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1n5r s VAL 511 CO -0.01 -0.36 0.40 -0.94 -0.31 0.00 0.00 175.10 173.88 1n5r s SER 512 N -3.50 6.53 -0.35 4.85 1.04 -0.71 -1.26 113.70 120.31 1n5r s SER 512 Ca 0.30 0.63 -0.09 0.00 0.48 0.00 0.00 55.95 57.27 1n5r s SER 512 Cb -0.06 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.85 1n5r s SER 512 CO 0.17 0.00 0.15 -0.76 0.98 0.00 0.00 173.24 173.78 1n5r s LEU 513 N 0.80 4.41 0.00 2.42 1.43 0.16 -4.08 118.68 123.82 1n5r s LEU 513 Ca 0.21 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1n5r s LEU 513 Cb -0.14 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1n5r s LEU 513 CO 0.07 -0.32 0.18 -0.46 0.23 0.00 0.00 176.35 176.05 1n5r n ASN 514 N 4.92 -0.51 0.28 2.29 2.04 -1.26 -0.76 115.26 122.25 1n5r n ASN 514 Ca -0.13 -1.36 0.13 0.00 -0.44 0.00 0.00 54.58 52.78 1n5r n ASN 514 Cb 0.46 0.86 0.81 0.00 -2.53 0.00 0.00 39.78 39.38 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 0.00-10.38 -4.53 3.38 -1.95 -3.43 115.31 98.40 1n5r h LEU 515 Ca -0.08 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.40 1n5r h LEU 515 Cb 0.28 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.08 1n5r h LEU 515 CO 0.10 0.05 0.25 -0.54 0.09 0.00 0.00 178.44 178.39 1n5r s LYS 516 N -4.50 3.25 0.84 1.13 1.02 -1.26 -5.02 119.74 115.19 1n5r s LYS 516 Ca -0.04 0.29 -0.12 0.00 0.02 0.00 0.00 55.97 56.12 1n5r s LYS 516 Cb 0.15 -2.22 0.10 0.00 -0.52 0.00 0.00 37.83 35.33 1n5r s LYS 516 CO 0.58 -0.57 1.17 -2.30 -0.92 0.00 0.00 175.35 173.30 1n5r n PRO 517 N -2.59 -0.00 -1.55 -1.68 -0.02 -1.26 -4.87 135.00 123.03 1n5r n PRO 517 Ca 0.04 0.08 -0.47 0.00 -2.02 0.00 0.00 63.50 61.13 1n5r n PRO 517 Cb 0.56 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 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 -3.49 1.16 -4.07 2.45 4.77 -1.26 -4.94 117.00 111.62 1n5r n LEU 518 Ca 0.13 1.16 -0.26 0.00 -0.03 0.00 0.00 56.01 57.01 1n5r n LEU 518 Cb 0.51 -1.20 -0.16 0.00 -2.33 0.00 0.00 43.42 40.24 1n5r n LEU 518 CO 0.48 -1.62 -0.49 -0.70 -1.33 0.00 0.00 177.39 173.74 1n5r s GLU 519 N -0.96 1.88 -0.03 3.23 2.12 -1.26 -4.84 118.70 118.83 1n5r s GLU 519 Ca 0.66 -0.51 -0.18 0.00 0.36 0.00 0.00 54.97 55.30 1n5r s GLU 519 Cb -0.81 -1.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.99 1n5r s GLU 519 CO 0.56 0.10 0.50 0.08 -0.54 0.00 0.00 175.26 175.95 1n5r s VAL 520 N 0.47 5.02 0.23 3.70 1.01 -1.26 -1.74 120.40 127.84 1n5r s VAL 520 Ca -0.13 1.02 0.06 0.00 0.00 0.00 0.00 61.98 62.94 1n5r s VAL 520 Cb -0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1n5r s VAL 520 CO 0.04 0.45 -0.08 -0.13 0.00 0.00 0.00 175.10 175.37 1n5r s ARG 521 N -0.26 1.40 -0.01 2.72 0.52 0.25 -4.98 118.95 118.59 1n5r s ARG 521 Ca 0.27 -1.67 0.07 0.00 -0.52 0.00 0.00 55.73 53.88 1n5r s ARG 521 Cb -0.17 -1.01 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 1n5r s ARG 521 CO 0.14 0.07 -0.22 1.03 0.02 0.00 0.00 175.30 176.34 1n5r s ARG 522 N -3.72 1.78 0.04 3.54 0.52 -1.26 -1.45 118.95 118.39 1n5r s ARG 522 Ca 0.26 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1n5r s ARG 522 Cb 0.02 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.76 1n5r s ARG 522 CO 0.09 0.47 0.00 0.41 0.02 0.00 0.00 175.30 176.29 1n5r n GLY 523 N 2.48 -4.02 3.43 -3.53 0.00 0.33 -4.89 105.19 98.99 1n5r n GLY 523 Ca -0.16 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.19 5.05 -1.64 0.99 2.96 -1.26 -4.24 118.68 120.36 1n5r s LEU 524 Ca 0.00 -1.69 -0.15 0.00 -0.22 0.00 0.00 54.13 52.07 1n5r s LEU 524 Cb 0.00 -2.37 0.12 0.00 0.50 0.00 0.00 46.19 44.44 1n5r s LEU 524 CO 0.00 -1.14 0.74 0.54 -1.32 0.00 0.00 176.35 175.17 1n5r n ARG 525 N 6.65 -3.43 -0.27 1.98 5.12 -1.26 -4.72 116.66 120.73 1n5r n ARG 525 Ca 0.10 0.40 -0.06 0.00 -1.93 0.00 0.00 57.85 56.36 1n5r n ARG 525 Cb 0.47 -5.03 -0.01 0.00 -1.16 0.00 0.00 32.46 26.72 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 -0.16 0.45 7.54 0.00 -1.92 0.43 119.26 126.50 1n5r h ALA 526 Ca -0.60 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1n5r h ALA 526 Cb 1.38 0.97 0.00 0.00 0.00 0.00 0.00 17.79 20.15 1n5r h ALA 526 CO 0.74 -0.75 -0.22 1.96 0.00 0.00 0.00 179.25 180.98 1n5r h GLN 527 N -0.14 -0.58 -0.76 0.00 1.08 -1.96 -1.93 115.11 110.82 1n5r h GLN 527 Ca 0.23 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.52 1n5r h GLN 527 Cb 0.56 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 28.07 1n5r h GLN 527 CO -0.79 -0.30 0.47 1.15 -0.95 0.00 0.00 178.83 178.41 1n5r h THR 528 N -0.79 1.06 0.00 -0.54 2.02 -1.90 -1.53 112.91 111.23 1n5r h THR 528 Ca -0.06 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1n5r h THR 528 Cb 0.55 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1n5r h THR 528 CO 0.10 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.15 1n5r h ALA 530 N 2.02 0.57 0.07 0.00 0.00 -0.47 0.41 119.26 121.86 1n5r h ALA 530 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1n5r h ALA 530 Cb 0.58 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1n5r h ALA 530 CO 0.00 0.68 -0.20 0.35 0.00 0.00 0.00 179.25 180.08 1n5r h PHE 531 N 0.72 -0.53 -0.28 0.00 3.57 -0.66 0.19 116.94 119.95 1n5r h PHE 531 Ca 0.05 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1n5r h PHE 531 Cb 1.03 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1n5r h PHE 531 CO 0.06 -0.29 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.20 1n5r h TRP 532 N -0.36 0.71 0.00 0.41 4.06 -1.23 -0.15 115.95 119.38 1n5r h TRP 532 Ca 0.04 -0.18 -0.08 0.00 2.06 0.00 0.00 58.89 60.72 1n5r h TRP 532 Cb 0.40 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1n5r h TRP 532 CO -0.21 0.86 -0.67 -0.91 -3.56 0.00 0.00 178.44 173.95 1n5r h ASN 533 N 0.34 0.00 0.00 -3.49 2.35 -0.15 -3.38 115.58 111.25 1n5r h ASN 533 Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 1n5r h ASN 533 Cb 0.70 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1n5r h ASN 533 CO 0.05 0.34 -1.26 0.54 -1.65 0.00 0.00 177.43 175.45 1n5r n ARG 534 N -3.05 0.10 -0.05 0.81 1.74 0.61 -4.75 116.66 112.08 1n5r n ARG 534 Ca -0.00 0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 57.04 1n5r n ARG 534 Cb 0.69 -0.87 -0.06 0.00 -1.02 0.00 0.00 32.46 31.19 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 -0.09 -0.02 -0.82 -1.55 3.57 -1.01 -3.27 116.94 113.75 1n5r h PHE 535 Ca -0.11 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.56 1n5r h PHE 535 Cb 1.13 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.77 1n5r h PHE 535 CO -0.01 0.44 0.34 -0.07 -2.23 0.00 0.00 178.31 176.78 1n5r h LEU 536 N -0.99 0.30 0.37 0.59 3.38 -1.20 -0.54 115.31 117.22 1n5r h LEU 536 Ca -0.00 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1n5r h LEU 536 Cb 0.47 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1n5r h LEU 536 CO 0.00 0.07 -0.37 -0.65 0.09 0.00 0.00 178.44 177.58 1n5r h PRO 537 N 0.44 -0.74 -0.61 1.13 0.11 -1.74 -1.04 132.00 129.54 1n5r h PRO 537 Ca 0.47 0.05 0.18 0.00 0.11 0.00 0.00 66.00 66.81 1n5r h PRO 537 Cb 0.80 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1n5r h PRO 537 CO -0.46 -0.49 0.53 0.87 -0.21 0.00 0.00 178.00 178.24 1n5r h LYS 538 N -0.77 0.00 -0.20 1.05 1.57 -1.29 0.90 116.57 117.84 1n5r h LYS 538 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1n5r h LYS 538 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1n5r h LYS 538 CO -0.07 0.00 0.03 1.25 -0.57 0.00 0.00 179.45 180.10 1n5r h LEU 539 N 0.00 0.31 -1.33 2.94 5.85 0.10 -2.90 115.31 120.28 1n5r h LEU 539 Ca 0.29 -0.26 0.19 0.00 0.84 0.00 0.00 57.88 58.95 1n5r h LEU 539 Cb 1.35 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 1n5r h LEU 539 CO -0.00 0.50 0.61 0.25 -0.34 0.00 0.00 178.44 179.45 1n5r h LEU 540 N 0.12 0.55 -4.39 2.25 5.85 0.18 -2.46 115.31 117.41 1n5r h LEU 540 Ca 0.06 0.06 -0.37 0.00 0.84 0.00 0.00 57.88 58.46 1n5r h LEU 540 Cb 0.31 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1n5r h LEU 540 CO 0.00 0.22 1.10 -1.20 -0.34 0.00 0.00 178.44 178.23 1n5r n SER 541 N -4.59 6.52 0.00 1.25 7.64 -0.98 -5.12 113.62 118.34 1n5r n SER 541 Ca 0.20 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.53 1n5r n SER 541 Cb 0.64 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1n5r n SER 541 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03