#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n5b h PHE 4 N 0.00 -0.08 -0.49 1.43 3.57 -1.98 0.12 116.94 119.51 1n5b h PHE 4 Ca 0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1n5b h PHE 4 Cb 0.00 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.68 1n5b h PHE 4 CO 0.00 0.24 -0.05 0.93 -2.23 0.00 0.00 178.31 177.21 1n5b h GLU 5 N -0.40 0.07 -0.50 1.11 4.39 -1.99 0.03 114.58 117.28 1n5b h GLU 5 Ca -0.01 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 1n5b h GLU 5 Cb 0.36 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1n5b h GLU 5 CO 0.01 0.04 0.04 0.37 -1.16 0.00 0.00 179.01 178.32 1n5b h GLN 6 N 0.07 0.85 0.21 2.33 5.75 -1.97 -1.73 115.11 120.62 1n5b h GLN 6 Ca 0.24 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1n5b h GLN 6 Cb 0.37 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1n5b h GLN 6 CO -0.45 0.87 -0.22 0.00 -2.65 0.00 0.00 178.83 176.38 1n5b h ALA 7 N 0.95 -0.45 -0.63 3.38 0.00 0.21 -1.50 119.26 121.23 1n5b h ALA 7 Ca 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n5b h ALA 7 Cb 0.46 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1n5b h ALA 7 CO 0.02 -0.78 0.39 0.82 0.00 0.00 0.00 179.25 179.70 1n5b h ILE 8 N -0.47 1.10 -0.55 0.00 1.08 -1.00 -1.41 117.51 116.27 1n5b h ILE 8 Ca 0.00 -0.27 0.05 0.00 -0.39 0.00 0.00 64.86 64.26 1n5b h ILE 8 Cb 0.45 0.25 -0.05 0.00 -3.07 0.00 0.00 36.82 34.39 1n5b h ILE 8 CO -0.06 0.14 0.27 0.74 -0.69 0.00 0.00 178.15 178.55 1n5b h THR 9 N 0.78 0.93 -0.31 -0.27 2.02 -1.09 0.02 112.91 114.99 1n5b h THR 9 Ca 0.25 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1n5b h THR 9 Cb -0.01 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1n5b h THR 9 CO -0.09 0.09 0.10 -0.61 0.37 0.00 0.00 175.52 175.39 1n5b h GLN 10 N 0.51 0.48 -0.16 6.66 4.15 -0.81 -1.77 115.11 124.17 1n5b h GLN 10 Ca 0.25 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.57 1n5b h GLN 10 Cb 0.18 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1n5b h GLN 10 CO -0.18 0.52 0.08 1.25 -1.93 0.00 0.00 178.83 178.57 1n5b h LEU 11 N 0.35 0.13 -1.08 -2.39 5.85 -0.87 -1.55 115.31 115.75 1n5b h LEU 11 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1n5b h LEU 11 Cb 0.24 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1n5b h LEU 11 CO -0.00 0.10 0.55 -0.26 -0.34 0.00 0.00 178.44 178.48 1n5b h PHE 12 N 0.18 1.13 -0.36 1.25 -1.00 -0.89 -0.67 116.94 116.57 1n5b h PHE 12 Ca 0.06 0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1n5b h PHE 12 Cb 0.01 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.17 1n5b h PHE 12 CO -0.09 0.73 -0.16 1.96 -1.61 0.00 0.00 178.31 179.15 1n5b h GLN 13 N 1.19 0.66 -0.03 1.51 4.20 -1.02 0.49 115.11 122.11 1n5b h GLN 13 Ca 0.32 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1n5b h GLN 13 Cb -0.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1n5b h GLN 13 CO -0.06 0.79 -0.37 1.96 -0.67 0.00 0.00 178.83 180.48 1n5b h GLN 14 N 0.59 0.05 -0.59 1.46 4.20 -0.44 -2.45 115.11 117.94 1n5b h GLN 14 Ca 0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1n5b h GLN 14 Cb 0.61 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1n5b h GLN 14 CO 0.04 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.90 1n5b n LEU 15 N -4.09 3.22 -3.73 1.46 4.77 -0.34 -4.94 117.00 113.35 1n5b n LEU 15 Ca -0.02 -1.61 -0.26 0.00 -0.03 0.00 0.00 56.01 54.09 1n5b n LEU 15 Cb 0.41 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1n5b n LEU 15 CO 0.39 0.76 0.15 -1.20 -1.33 0.00 0.00 177.39 176.16 1n5b n SER 16 N 1.15 -4.88 -4.64 -1.43 7.64 -0.48 -4.99 113.62 105.99 1n5b n SER 16 Ca 0.20 -0.68 -0.32 0.00 1.01 0.00 0.00 58.87 59.08 1n5b n SER 16 Cb 0.53 -4.46 -0.09 0.00 -1.01 0.00 0.00 64.21 59.17 1n5b n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1n5b s LEU 17 N -7.17 3.35 -0.08 -3.43 1.43 0.16 -5.01 118.68 107.93 1n5b s LEU 17 Ca 0.52 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 1n5b s LEU 17 Cb -0.25 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1n5b s LEU 17 CO 0.78 0.27 1.00 -0.55 0.23 0.00 0.00 176.35 178.08 1n5b s SER 18 N -1.60 7.27 -0.53 2.29 0.15 -1.26 -4.25 113.70 115.77 1n5b s SER 18 Ca 0.19 1.56 -0.28 0.00 0.70 0.00 0.00 55.95 58.12 1n5b s SER 18 Cb -0.11 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1n5b s SER 18 CO 0.10 -0.41 1.13 -0.63 1.20 0.00 0.00 173.24 174.63 1n5b s ILE 19 N 1.79 4.16 0.78 6.45 1.09 -1.26 -5.01 121.20 129.20 1n5b s ILE 19 Ca 0.49 0.96 -0.15 0.00 -1.10 0.00 0.00 60.65 60.84 1n5b s ILE 19 Cb -0.19 -4.64 -0.03 0.00 -1.06 0.00 0.00 42.46 36.54 1n5b s ILE 19 CO 0.20 -1.15 0.46 -2.65 -0.10 0.00 0.00 174.94 171.70 1n5b n PRO 20 N 8.02 0.16 -0.07 2.79 -0.02 -1.26 -4.91 135.00 139.71 1n5b n PRO 20 Ca 0.09 0.10 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1n5b n PRO 20 Cb 0.49 -1.80 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 1n5b n PRO 20 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1n5b h ASP 21 N -0.64 -0.71 -3.46 2.55 2.03 -2.07 -3.39 116.42 110.73 1n5b h ASP 21 Ca -0.45 0.10 -0.66 0.00 -0.73 0.00 0.00 57.03 55.29 1n5b h ASP 21 Cb 1.33 0.30 -0.21 0.00 -0.83 0.00 0.00 39.33 39.92 1n5b h ASP 21 CO 0.40 -0.13 -0.69 0.42 -1.03 0.00 0.00 179.24 178.21 1n5b s THR 22 N -3.95 3.71 -0.33 1.15 -4.23 -1.26 -5.09 115.64 105.65 1n5b s THR 22 Ca -0.05 -0.45 -0.21 0.00 -1.18 0.00 0.00 61.69 59.80 1n5b s THR 22 Cb 0.03 -2.57 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 1n5b s THR 22 CO 0.22 0.55 0.69 -0.63 -0.54 0.00 0.00 174.62 174.91 1n5b s ILE 23 N -0.17 4.86 0.62 2.99 1.01 -1.26 -5.05 121.20 124.20 1n5b s ILE 23 Ca 0.02 0.88 -0.17 0.00 0.00 0.00 0.00 60.65 61.39 1n5b s ILE 23 Cb -0.13 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1n5b s ILE 23 CO 0.03 -0.25 1.13 -0.70 0.00 0.00 0.00 174.94 175.15 1n5b s GLU 24 N 2.79 2.94 0.54 2.79 2.12 -1.26 -4.91 118.70 123.70 1n5b s GLU 24 Ca 0.28 1.53 0.29 0.00 0.36 0.00 0.00 54.97 57.43 1n5b s GLU 24 Cb -0.14 -1.96 1.46 0.00 0.26 0.00 0.00 34.13 33.75 1n5b s GLU 24 CO 0.13 -1.17 1.92 -1.00 -0.54 0.00 0.00 175.26 174.61 1n5b h PRO 25 N 0.46 0.00 -5.07 4.30 0.13 -1.96 -3.37 132.00 126.48 1n5b h PRO 25 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1n5b h PRO 25 Cb 1.26 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.04 1n5b h PRO 25 CO 0.55 0.00 -0.86 0.08 -0.23 0.00 0.00 178.00 177.54 1n5b s VAL 26 N -4.98 1.98 0.06 1.56 1.01 -1.26 -4.28 120.40 114.49 1n5b s VAL 26 Ca -0.05 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1n5b s VAL 26 Cb 0.21 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1n5b s VAL 26 CO 0.75 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.89 1n5b s ILE 27 N 1.07 4.96 -0.12 2.22 -1.09 0.10 -4.93 121.20 123.42 1n5b s ILE 27 Ca -0.01 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.88 1n5b s ILE 27 Cb -0.14 -3.39 0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1n5b s ILE 27 CO -0.07 0.16 -0.20 -0.83 -1.23 0.00 0.00 174.94 172.77 1n5b s GLY 28 N -2.38 1.22 -0.09 6.18 0.00 -1.26 -0.33 107.32 110.67 1n5b s GLY 28 Ca 0.31 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 44.12 1n5b s GLY 28 CO 0.24 -0.03 -0.06 0.14 0.00 0.00 0.00 173.10 173.40 1n5b s VAL 29 N 0.72 0.81 -0.29 1.40 1.01 -0.20 -4.99 120.40 118.86 1n5b s VAL 29 Ca -0.11 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1n5b s VAL 29 Cb -0.16 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1n5b s VAL 29 CO 0.01 0.32 0.14 -0.75 0.00 0.00 0.00 175.10 174.82 1n5b s LYS 30 N 1.50 3.52 -0.32 2.72 2.20 -1.26 -0.61 119.74 127.48 1n5b s LYS 30 Ca -0.00 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1n5b s LYS 30 Cb -0.13 -3.52 0.06 0.00 -1.51 0.00 0.00 37.83 32.73 1n5b s LYS 30 CO -0.04 -0.32 0.04 0.08 -0.36 0.00 0.00 175.35 174.74 1n5b s VAL 31 N 1.64 3.01 0.00 4.02 1.01 -0.37 -4.97 120.40 124.74 1n5b s VAL 31 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.49 1n5b s VAL 31 Cb -0.16 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1n5b s VAL 31 CO 0.06 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1n5b n GLY 32 N 4.60 2.24 0.21 4.51 0.00 -1.26 -1.68 105.19 113.81 1n5b n GLY 32 Ca -0.10 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1n5b n GLY 32 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1n5b n GLU 33 N 13.13 0.73 -3.17 1.61 0.28 -1.26 -4.85 120.64 127.10 1n5b n GLU 33 Ca 0.00 -0.42 -0.42 0.00 -0.16 0.00 0.00 57.16 56.15 1n5b n GLU 33 Cb 0.00 -1.49 -0.07 0.00 1.43 0.00 0.00 31.44 31.31 1n5b n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1n5b s PHE 34 N -2.56 3.12 -0.39 -1.84 0.40 -0.68 -5.03 117.98 111.01 1n5b s PHE 34 Ca 0.23 0.01 -0.24 0.00 -0.60 0.00 0.00 56.93 56.32 1n5b s PHE 34 Cb 0.19 -3.15 0.02 0.00 0.51 0.00 0.00 43.02 40.59 1n5b s PHE 34 CO 0.54 -0.73 0.85 0.00 0.70 0.00 0.00 175.22 176.58 1n5b s ALA 35 N 2.60 3.38 -0.10 5.36 0.00 -1.26 -1.23 121.76 130.51 1n5b s ALA 35 Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1n5b s ALA 35 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1n5b s ALA 35 CO 0.16 -1.65 0.01 0.00 0.00 0.00 0.00 175.76 174.28 1n5b s HIS 37 N -0.79 2.90 -0.06 0.00 3.76 0.21 -1.03 115.29 120.27 1n5b s HIS 37 Ca 0.12 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 1n5b s HIS 37 Cb -0.12 -1.76 -0.00 0.00 1.11 0.00 0.00 32.58 31.81 1n5b s HIS 37 CO 0.02 0.17 -0.19 0.42 -0.85 0.00 0.00 174.74 174.32 1n5b s ILE 38 N -0.43 1.59 0.19 0.60 1.01 0.55 -1.01 121.20 123.70 1n5b s ILE 38 Ca 0.06 -0.78 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 1n5b s ILE 38 Cb -0.12 -1.38 0.06 0.00 0.01 0.00 0.00 42.46 41.03 1n5b s ILE 38 CO 0.02 0.45 0.69 0.28 0.00 0.00 0.00 174.94 176.38 1n5b s THR 39 N 0.19 0.00 -0.41 2.92 -1.32 0.17 0.01 115.64 117.21 1n5b s THR 39 Ca -0.09 -0.37 -0.18 0.00 -1.21 0.00 0.00 61.69 59.84 1n5b s THR 39 Cb -0.14 -1.39 0.02 0.00 -1.51 0.00 0.00 72.50 69.47 1n5b s THR 39 CO 0.04 0.00 0.48 -0.70 -2.21 0.00 0.00 174.62 172.23 1n5b s GLU 40 N -3.73 3.24 -0.30 7.08 2.12 -1.26 0.50 118.70 126.36 1n5b s GLU 40 Ca 0.05 -0.57 -0.10 0.00 0.36 0.00 0.00 54.97 54.71 1n5b s GLU 40 Cb -0.03 -3.93 0.17 0.00 0.26 0.00 0.00 34.13 30.61 1n5b s GLU 40 CO -0.05 -0.83 0.90 -1.58 -0.54 0.00 0.00 175.26 173.16 1n5b s HIS 41 N 2.30 -0.88 0.00 5.30 2.46 0.10 -4.61 115.29 119.96 1n5b s HIS 41 Ca 0.15 1.11 0.00 0.00 0.47 0.00 0.00 55.06 56.79 1n5b s HIS 41 Cb -0.16 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.66 1n5b s HIS 41 CO 0.15 -0.47 0.00 -0.35 -2.47 0.00 0.00 174.74 171.60 1n5b n PRO 42 N 5.32 -0.74 -1.94 2.88 -0.04 -1.26 -4.54 135.00 134.68 1n5b n PRO 42 Ca -0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 1n5b n PRO 42 Cb 0.52 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1n5b n PRO 42 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1n5b s VAL 43 N -0.94 2.39 0.00 0.52 1.01 -1.26 -1.62 120.40 120.51 1n5b s VAL 43 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1n5b s VAL 43 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1n5b s VAL 43 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1n5b n GLY 44 N 1.31 0.62 2.97 4.51 0.00 -1.26 -5.03 105.19 108.31 1n5b n GLY 44 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1n5b n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n5b s GLN 45 N -0.09 1.39 -0.37 1.61 -1.52 -0.64 -0.86 119.66 119.18 1n5b s GLN 45 Ca 0.00 -0.30 -0.17 0.00 -1.95 0.00 0.00 55.36 52.94 1n5b s GLN 45 Cb 0.00 -1.21 0.00 0.00 -0.22 0.00 0.00 33.01 31.58 1n5b s GLN 45 CO 0.00 -0.02 0.44 0.42 -0.25 0.00 0.00 175.29 175.88 1n5b s ILE 46 N 0.80 5.08 -0.15 1.08 -1.09 0.34 -0.72 121.20 126.54 1n5b s ILE 46 Ca -0.13 0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1n5b s ILE 46 Cb -0.15 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 1n5b s ILE 46 CO 0.02 -0.24 0.02 -0.22 -1.23 0.00 0.00 174.94 173.29 1n5b s LEU 47 N 2.21 3.62 -0.04 2.97 2.96 0.18 -2.21 118.68 128.37 1n5b s LEU 47 Ca 0.15 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 1n5b s LEU 47 Cb -0.16 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1n5b s LEU 47 CO 0.13 0.23 -0.15 -0.04 -1.32 0.00 0.00 176.35 175.20 1n5b s MET 48 N -0.01 1.59 0.11 1.98 -1.94 -0.92 -0.65 119.30 119.47 1n5b s MET 48 Ca 0.04 -0.55 -0.12 0.00 -1.71 0.00 0.00 55.69 53.35 1n5b s MET 48 Cb -0.13 -1.41 0.01 0.00 2.01 0.00 0.00 34.83 35.32 1n5b s MET 48 CO 0.02 0.22 0.30 -0.59 -0.01 0.00 0.00 175.02 174.95 1n5b s PHE 49 N 0.05 0.02 0.09 -0.03 -0.12 -0.18 -1.61 117.98 116.20 1n5b s PHE 49 Ca -0.03 -0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 56.34 1n5b s PHE 49 Cb -0.11 0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.38 1n5b s PHE 49 CO 0.02 -0.64 0.26 -0.08 -0.05 0.00 0.00 175.22 174.73 1n5b s THR 50 N -3.85 0.11 -0.56 -4.49 -1.32 -0.07 -0.62 115.64 104.85 1n5b s THR 50 Ca 0.05 -0.93 -0.12 0.00 -1.21 0.00 0.00 61.69 59.48 1n5b s THR 50 Cb 0.03 -1.21 0.14 0.00 -1.51 0.00 0.00 72.50 69.95 1n5b s THR 50 CO -0.10 -0.51 0.47 -0.76 -2.21 0.00 0.00 174.62 171.50 1n5b s LEU 51 N -2.70 6.01 0.79 9.08 1.02 -1.26 -1.18 118.68 130.45 1n5b s LEU 51 Ca 0.03 -2.03 -0.12 0.00 0.02 0.00 0.00 54.13 52.03 1n5b s LEU 51 Cb 0.03 -2.11 0.07 0.00 0.02 0.00 0.00 46.19 44.20 1n5b s LEU 51 CO -0.10 -0.72 1.16 -2.16 0.02 0.00 0.00 176.35 174.54 1n5b s PRO 52 N 1.21 2.11 -0.18 1.29 0.04 -1.26 -4.95 135.00 133.25 1n5b s PRO 52 Ca 0.07 0.20 -0.06 0.00 0.04 0.00 0.00 61.00 61.25 1n5b s PRO 52 Cb -0.25 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1n5b s PRO 52 CO -0.01 -1.51 0.03 -1.12 0.04 0.00 0.00 177.00 174.43 1n5b s SER 53 N -4.49 5.33 -0.11 6.66 0.01 -1.26 -4.72 113.70 115.12 1n5b s SER 53 Ca 0.61 -0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.88 1n5b s SER 53 Cb -0.11 -1.90 -0.01 0.00 0.21 0.00 0.00 66.02 64.20 1n5b s SER 53 CO 0.50 0.16 -0.15 -0.76 0.41 0.00 0.00 173.24 173.40 1n5b s LEU 54 N 0.44 2.62 0.00 2.44 1.43 -1.26 -4.52 118.68 119.84 1n5b s LEU 54 Ca 0.01 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1n5b s LEU 54 Cb -0.13 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1n5b s LEU 54 CO 0.01 0.19 0.22 0.47 0.23 0.00 0.00 176.35 177.48 1n5b n ASP 55 N 3.33 0.40 0.00 2.29 8.00 -1.26 -4.84 116.55 124.48 1n5b n ASP 55 Ca -0.18 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1n5b n ASP 55 Cb 0.53 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1n5b n ASP 55 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1n5b n ASN 56 N 0.26 0.00 -4.23 -2.24 3.02 -1.26 -4.69 115.26 106.12 1n5b n ASN 56 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1n5b n ASN 56 Cb 0.10 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 1n5b n ASN 56 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n5b n ASN 57 N 0.12 2.81 -3.66 6.41 4.13 -1.26 -4.78 115.26 119.04 1n5b n ASN 57 Ca 0.00 -2.68 -0.07 0.00 1.68 0.00 0.00 54.58 53.50 1n5b n ASN 57 Cb 0.00 -1.50 -0.09 0.00 -1.54 0.00 0.00 39.78 36.66 1n5b n ASN 57 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1n5b s ASN 58 N 6.02 -0.49 0.86 6.41 2.20 -1.26 -5.16 114.94 123.52 1n5b s ASN 58 Ca 0.65 1.11 -0.12 0.00 -0.94 0.00 0.00 52.86 53.57 1n5b s ASN 58 Cb 0.05 1.44 0.11 0.00 -2.00 0.00 0.00 41.25 40.86 1n5b s ASN 58 CO 0.14 -0.22 1.16 -0.62 -2.94 0.00 0.00 177.10 174.61 1n5b n GLU 59 N 5.18 -0.13 -0.07 3.55 1.02 -1.26 -4.83 120.64 124.10 1n5b n GLU 59 Ca -0.12 0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 56.96 1n5b n GLU 59 Cb 0.51 -2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 29.50 1n5b n GLU 59 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1n5b h LYS 60 N -1.39 0.35 -0.92 3.49 1.57 -2.00 -2.47 116.57 115.22 1n5b h LYS 60 Ca -0.45 -0.04 0.17 0.00 -1.87 0.00 0.00 60.65 58.46 1n5b h LYS 60 Cb 1.29 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.43 1n5b h LYS 60 CO 0.43 0.30 0.51 0.93 -0.57 0.00 0.00 179.45 181.05 1n5b h GLU 61 N 0.30 0.66 0.42 3.15 5.08 -1.99 -1.07 114.58 121.13 1n5b h GLU 61 Ca 0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1n5b h GLU 61 Cb 0.05 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1n5b h GLU 61 CO -0.01 0.44 -0.20 1.15 -1.00 0.00 0.00 179.01 179.38 1n5b h THR 62 N 0.68 0.54 -0.95 1.13 2.02 -1.81 -1.00 112.91 113.52 1n5b h THR 62 Ca 0.51 -0.39 0.10 0.00 0.77 0.00 0.00 66.41 67.41 1n5b h THR 62 Cb 0.76 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 1n5b h THR 62 CO -0.38 0.07 0.61 -0.07 0.37 0.00 0.00 175.52 176.12 1n5b h LEU 63 N -0.81 0.88 -0.46 2.58 3.38 -1.02 -2.06 115.31 117.80 1n5b h LEU 63 Ca -0.06 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1n5b h LEU 63 Cb 0.54 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1n5b h LEU 63 CO 0.10 0.51 -0.77 -0.07 0.09 0.00 0.00 178.44 178.29 1n5b h LEU 64 N 0.97 0.03 -2.39 1.67 3.38 -1.16 -3.13 115.31 114.68 1n5b h LEU 64 Ca 0.45 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 1n5b h LEU 64 Cb 0.41 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1n5b h LEU 64 CO -0.21 0.79 -0.02 0.77 0.09 0.00 0.00 178.44 179.86 1n5b h SER 65 N 0.02 0.00 0.54 -0.43 4.64 -0.43 -0.03 113.55 117.86 1n5b h SER 65 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1n5b h SER 65 Cb 1.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1n5b h SER 65 CO 0.10 0.02 -0.04 0.45 -0.87 0.00 0.00 176.83 176.49 1n5b h HIS 66 N 0.00 0.00 -0.21 4.77 3.86 -1.51 -3.07 115.15 118.99 1n5b h HIS 66 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1n5b h HIS 66 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1n5b h HIS 66 CO 0.00 0.04 0.00 0.09 0.86 0.00 0.00 177.93 178.92 1n5b n ASN 67 N -3.24 2.11 -4.74 2.45 5.03 -0.02 -4.86 115.26 111.99 1n5b n ASN 67 Ca -0.01 -1.78 -0.36 0.00 0.87 0.00 0.00 54.58 53.30 1n5b n ASN 67 Cb 0.22 -0.14 0.07 0.00 -1.02 0.00 0.00 39.78 38.91 1n5b n ASN 67 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1n5b s ILE 68 N -1.73 2.34 0.79 2.41 1.10 -1.16 -4.96 121.20 119.99 1n5b s ILE 68 Ca 0.33 0.19 -0.11 0.00 -0.51 0.00 0.00 60.65 60.56 1n5b s ILE 68 Cb 0.19 -2.95 0.07 0.00 0.15 0.00 0.00 42.46 39.92 1n5b s ILE 68 CO 0.27 -0.06 1.10 0.72 -2.11 0.00 0.00 174.94 174.86 1n5b s PHE 69 N -1.70 2.48 0.13 3.50 -0.12 -1.26 -5.05 117.98 115.97 1n5b s PHE 69 Ca 0.78 1.58 -0.01 0.00 -0.05 0.00 0.00 56.93 59.23 1n5b s PHE 69 Cb -0.32 -3.08 0.00 0.00 -0.63 0.00 0.00 43.02 38.99 1n5b s PHE 69 CO 0.40 -1.90 0.18 -1.13 -0.05 0.00 0.00 175.22 172.72 1n5b n SER 70 N -3.58 -0.51 0.25 1.98 3.41 -1.26 -5.02 113.62 108.89 1n5b n SER 70 Ca 0.09 -1.72 0.14 0.00 -0.26 0.00 0.00 58.87 57.12 1n5b n SER 70 Cb 0.53 0.96 0.58 0.00 -0.26 0.00 0.00 64.21 66.02 1n5b n SER 70 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1n5b h GLN 71 N 0.00 0.00 -4.72 4.33 3.07 -2.04 -3.41 115.11 112.34 1n5b h GLN 71 Ca -0.10 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.95 1n5b h GLN 71 Cb 0.45 0.00 -0.24 0.00 0.08 0.00 0.00 27.48 27.77 1n5b h GLN 71 CO 0.14 0.09 -0.56 0.34 0.09 0.00 0.00 178.83 178.93 1n5b s ASP 72 N -5.91 5.51 0.11 0.06 -1.08 -1.26 -4.96 116.67 109.13 1n5b s ASP 72 Ca 0.01 -0.74 0.16 0.00 -0.52 0.00 0.00 52.55 51.46 1n5b s ASP 72 Cb 0.09 -1.98 0.70 0.00 -1.46 0.00 0.00 42.92 40.28 1n5b s ASP 72 CO 0.58 -0.26 1.50 2.30 0.52 0.00 0.00 175.17 179.82 1n5b n ILE 73 N 4.95 1.06 0.86 4.11 -5.35 -1.26 -2.24 119.36 121.50 1n5b n ILE 73 Ca -0.13 0.31 0.12 0.00 -0.27 0.00 0.00 62.75 62.77 1n5b n ILE 73 Cb 0.48 -1.16 0.25 0.00 -1.74 0.00 0.00 39.64 37.46 1n5b n ILE 73 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1n5b n LEU 74 N -1.79 2.72 -4.68 7.28 4.77 -1.26 -4.68 117.00 119.36 1n5b n LEU 74 Ca 0.02 -1.05 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 1n5b n LEU 74 Cb 0.16 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1n5b n LEU 74 CO 0.14 0.53 1.44 -0.75 -1.33 0.00 0.00 177.39 177.42 1n5b s LYS 75 N -1.78 4.17 0.71 3.23 2.20 -0.95 -4.66 119.74 122.65 1n5b s LYS 75 Ca 0.34 2.44 -0.15 0.00 -0.36 0.00 0.00 55.97 58.24 1n5b s LYS 75 Cb 0.21 -3.82 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1n5b s LYS 75 CO 0.30 -0.84 1.20 -1.25 -0.36 0.00 0.00 175.35 174.40 1n5b s PRO 76 N 3.42 2.27 -0.11 4.03 0.04 -1.26 -4.88 135.00 138.51 1n5b s PRO 76 Ca 0.79 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.55 1n5b s PRO 76 Cb -0.41 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 1n5b s PRO 76 CO 0.35 -1.73 -0.05 0.42 0.04 0.00 0.00 177.00 176.04 1n5b s ILE 77 N -1.98 3.82 -0.16 0.56 1.01 0.15 -4.85 121.20 119.75 1n5b s ILE 77 Ca 0.74 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 1n5b s ILE 77 Cb -0.29 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1n5b s ILE 77 CO 0.44 0.55 0.41 -0.22 0.00 0.00 0.00 174.94 176.12 1n5b s LEU 78 N -0.25 4.21 0.00 2.97 2.96 -1.26 -1.43 118.68 125.88 1n5b s LEU 78 Ca 0.04 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1n5b s LEU 78 Cb -0.13 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.00 1n5b s LEU 78 CO 0.02 -0.02 0.13 -1.54 -1.32 0.00 0.00 176.35 173.63 1n5b n SER 79 N 4.03 -0.26 -4.02 3.68 3.41 0.16 -4.97 113.62 115.64 1n5b n SER 79 Ca -0.08 -2.04 -0.19 0.00 -0.26 0.00 0.00 58.87 56.30 1n5b n SER 79 Cb 0.51 0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 65.09 1n5b n SER 79 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1n5b s TRP 80 N -2.62 0.86 -0.52 7.33 -0.11 -1.26 -0.57 118.94 122.04 1n5b s TRP 80 Ca 0.18 -0.17 -0.15 0.00 1.22 0.00 0.00 56.10 57.19 1n5b s TRP 80 Cb 0.01 -0.57 0.12 0.00 -1.50 0.00 0.00 33.47 31.54 1n5b s TRP 80 CO 0.13 -0.03 0.46 0.34 -4.62 0.00 0.00 176.95 173.23 1n5b s ASP 81 N -0.15 6.10 0.55 5.86 2.15 0.29 -4.88 116.67 126.59 1n5b s ASP 81 Ca 0.02 -1.77 0.22 0.00 0.43 0.00 0.00 52.55 51.45 1n5b s ASP 81 Cb -0.04 -2.17 1.46 0.00 -0.30 0.00 0.00 42.92 41.86 1n5b s ASP 81 CO -0.00 -0.81 2.14 -0.33 -0.17 0.00 0.00 175.17 176.00 1n5b h GLU 82 N 8.80 0.00 0.11 4.34 5.08 -1.97 0.31 114.58 131.25 1n5b h GLU 82 Ca -0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1n5b h GLU 82 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1n5b h GLU 82 CO 0.99 0.00 -0.05 0.28 -1.00 0.00 0.00 179.01 179.23 1n5b h VAL 83 N 0.00 0.99 0.00 3.13 2.07 -1.96 -3.32 116.25 117.16 1n5b h VAL 83 Ca 0.05 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1n5b h VAL 83 Cb 0.22 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1n5b h VAL 83 CO -0.00 0.28 -0.29 1.23 0.02 0.00 0.00 177.57 178.81 1n5b h GLY 84 N -0.86 0.00 -2.97 2.17 0.00 -1.98 -3.48 103.07 95.94 1n5b h GLY 84 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1n5b h GLY 84 CO 0.02 0.00 -0.20 0.61 0.00 0.00 0.00 176.54 176.97 1n5b n GLY 85 N 1.18 0.23 3.43 4.60 0.00 0.11 -5.08 105.19 109.67 1n5b n GLY 85 Ca 0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1n5b n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n5b s HIS 86 N -3.09 -0.23 0.53 1.61 -3.43 -1.06 -5.00 115.29 104.61 1n5b s HIS 86 Ca 0.00 -0.08 -0.18 0.00 -0.80 0.00 0.00 55.06 54.01 1n5b s HIS 86 Cb -0.00 0.38 -0.07 0.00 -1.43 0.00 0.00 32.58 31.46 1n5b s HIS 86 CO 0.19 -0.83 1.04 -1.25 -2.00 0.00 0.00 174.74 171.89 1n5b s PRO 87 N -3.82 3.64 -0.05 -0.38 0.04 -1.26 -0.55 135.00 132.62 1n5b s PRO 87 Ca 0.05 1.24 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 1n5b s PRO 87 Cb 0.00 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1n5b s PRO 87 CO -0.08 -0.55 -0.01 0.08 0.04 0.00 0.00 177.00 176.48 1n5b s VAL 88 N -2.25 0.37 -0.15 -0.36 1.01 0.26 -4.23 120.40 115.04 1n5b s VAL 88 Ca 0.65 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 1n5b s VAL 88 Cb -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1n5b s VAL 88 CO 0.28 0.22 -0.06 -0.22 0.00 0.00 0.00 175.10 175.32 1n5b s LEU 89 N 1.37 3.13 0.06 3.92 2.96 -0.33 0.38 118.68 130.17 1n5b s LEU 89 Ca -0.04 -0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 1n5b s LEU 89 Cb -0.13 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1n5b s LEU 89 CO -0.02 0.17 0.29 -1.66 -1.32 0.00 0.00 176.35 173.80 1n5b s TRP 90 N 0.37 -0.05 0.18 5.38 1.48 -0.52 -0.89 118.94 124.89 1n5b s TRP 90 Ca -0.06 -0.18 0.01 0.00 -1.06 0.00 0.00 56.10 54.81 1n5b s TRP 90 Cb -0.15 0.08 -0.04 0.00 -1.16 0.00 0.00 33.47 32.20 1n5b s TRP 90 CO 0.04 -0.54 0.05 0.54 -4.06 0.00 0.00 176.95 172.98 1n5b s ASN 91 N -2.35 0.82 -0.20 -2.66 2.20 -0.63 0.29 114.94 112.41 1n5b s ASN 91 Ca -0.02 -1.25 -0.24 0.00 -0.94 0.00 0.00 52.86 50.41 1n5b s ASN 91 Cb 0.01 0.21 0.06 0.00 -2.00 0.00 0.00 41.25 39.53 1n5b s ASN 91 CO -0.06 -0.68 0.66 -0.60 -2.94 0.00 0.00 177.10 173.48 1n5b s ARG 92 N -4.01 0.83 0.06 3.55 3.52 -1.26 -2.16 118.95 119.49 1n5b s ARG 92 Ca 0.28 0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 56.57 1n5b s ARG 92 Cb 0.07 0.40 -0.01 0.00 -1.56 0.00 0.00 34.95 33.85 1n5b s ARG 92 CO 0.06 -0.15 0.11 1.14 -0.81 0.00 0.00 175.30 175.65 1n5b s GLN 93 N -0.03 0.69 0.29 5.12 -2.07 -0.94 -4.84 119.66 117.88 1n5b s GLN 93 Ca -0.03 -0.92 -0.29 0.00 -1.82 0.00 0.00 55.36 52.30 1n5b s GLN 93 Cb -0.04 0.27 -0.10 0.00 -1.09 0.00 0.00 33.01 32.05 1n5b s GLN 93 CO 0.03 -0.18 1.16 -1.25 -1.32 0.00 0.00 175.29 173.73 1n5b s PRO 94 N -3.34 4.56 0.45 9.60 0.04 -1.26 -0.50 135.00 144.54 1n5b s PRO 94 Ca 0.01 1.92 0.24 0.00 0.04 0.00 0.00 61.00 63.22 1n5b s PRO 94 Cb 0.03 -3.16 0.96 0.00 0.04 0.00 0.00 34.50 32.37 1n5b s PRO 94 CO -0.08 0.09 1.84 1.25 0.04 0.00 0.00 177.00 180.14 1n5b h LEU 95 N 3.72 0.00 -0.76 -3.56 5.85 -1.34 -3.02 115.31 116.21 1n5b h LEU 95 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1n5b h LEU 95 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1n5b h LEU 95 CO 0.67 0.22 0.00 -0.46 -0.34 0.00 0.00 178.44 178.52 1n5b n ASN 96 N -3.40 1.17 -0.07 1.25 0.23 -1.26 -3.77 115.26 109.42 1n5b n ASN 96 Ca 0.00 -1.44 0.06 0.00 -0.53 0.00 0.00 54.58 52.67 1n5b n ASN 96 Cb 0.42 -0.02 0.08 0.00 -2.08 0.00 0.00 39.78 38.18 1n5b n ASN 96 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n5b n ASN 97 N -0.07 2.03 -3.13 0.53 3.02 -1.14 -5.06 115.26 111.45 1n5b n ASN 97 Ca 0.19 -2.59 -0.18 0.00 -0.03 0.00 0.00 54.58 51.98 1n5b n ASN 97 Cb 0.29 -0.26 0.14 0.00 -0.61 0.00 0.00 39.78 39.34 1n5b n ASN 97 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n5b n LEU 98 N -0.99 0.00 -3.62 3.41 4.77 -1.24 -5.01 117.00 114.31 1n5b n LEU 98 Ca 0.09 -0.77 0.02 0.00 -0.03 0.00 0.00 56.01 55.32 1n5b n LEU 98 Cb 0.50 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1n5b n LEU 98 CO 0.01 -1.39 1.07 1.51 -1.33 0.00 0.00 177.39 177.26 1n5b s ASP 99 N -3.56 -0.05 0.11 -1.43 -4.77 -1.26 -4.99 116.67 100.71 1n5b s ASP 99 Ca 0.43 -0.13 -0.09 0.00 -3.30 0.00 0.00 52.55 49.46 1n5b s ASP 99 Cb -0.03 0.15 0.09 0.00 -1.09 0.00 0.00 42.92 42.05 1n5b s ASP 99 CO 0.32 -0.29 0.75 0.59 0.70 0.00 0.00 175.17 177.24 1n5b n ASN 100 N -0.50 -0.34 -0.62 2.11 5.03 -1.26 -0.48 115.26 119.20 1n5b n ASN 100 Ca -0.09 0.85 0.13 0.00 0.87 0.00 0.00 54.58 56.34 1n5b n ASN 100 Cb 0.63 -0.18 0.40 0.00 -1.02 0.00 0.00 39.78 39.61 1n5b n ASN 100 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1n5b n ASN 101 N -4.70 1.92 0.44 6.41 4.13 -1.26 -4.62 115.26 117.58 1n5b n ASN 101 Ca 0.04 -1.65 -0.19 0.00 1.68 0.00 0.00 54.58 54.46 1n5b n ASN 101 Cb 0.18 -0.02 -0.09 0.00 -1.54 0.00 0.00 39.78 38.31 1n5b n ASN 101 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1n5b h SER 102 N 2.92 -0.93 -0.36 6.41 0.02 -1.17 -0.87 113.55 119.58 1n5b h SER 102 Ca 0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1n5b h SER 102 Cb 0.62 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1n5b h SER 102 CO 0.00 -0.66 0.04 -0.07 -1.14 0.00 0.00 176.83 175.00 1n5b h LEU 103 N -1.11 0.67 -0.60 5.07 3.38 -1.82 -0.52 115.31 120.37 1n5b h LEU 103 Ca -0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1n5b h LEU 103 Cb 0.84 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1n5b h LEU 103 CO 0.18 0.71 0.27 0.22 0.09 0.00 0.00 178.44 179.91 1n5b h TYR 104 N 0.67 0.89 -0.47 1.13 5.03 -1.83 -1.44 116.97 120.96 1n5b h TYR 104 Ca 0.14 -0.05 -0.12 0.00 2.58 0.00 0.00 58.73 61.28 1n5b h TYR 104 Cb 0.36 -0.27 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1n5b h TYR 104 CO 0.02 0.69 -0.19 1.15 -1.32 0.00 0.00 178.16 178.51 1n5b h THR 105 N 0.83 1.27 -0.76 1.81 2.02 -0.71 -2.01 112.91 115.36 1n5b h THR 105 Ca 0.20 -1.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1n5b h THR 105 Cb 0.15 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1n5b h THR 105 CO -0.02 0.46 0.33 -0.61 0.37 0.00 0.00 175.52 176.05 1n5b h GLN 106 N 0.79 1.12 -0.43 6.66 4.15 -0.85 -1.24 115.11 125.31 1n5b h GLN 106 Ca 0.11 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 1n5b h GLN 106 Cb 0.76 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1n5b h GLN 106 CO 0.06 0.89 -0.19 1.25 -1.93 0.00 0.00 178.83 178.91 1n5b h LEU 107 N 1.08 0.91 -0.58 -2.39 5.85 -1.17 -1.62 115.31 117.39 1n5b h LEU 107 Ca 0.26 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1n5b h LEU 107 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1n5b h LEU 107 CO -0.03 1.11 0.07 -0.08 -0.34 0.00 0.00 178.44 179.17 1n5b h GLU 108 N 0.72 0.98 -0.47 1.25 4.81 -1.22 -1.72 114.58 118.93 1n5b h GLU 108 Ca 0.10 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 1n5b h GLU 108 Cb 0.75 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1n5b h GLU 108 CO 0.06 0.94 -0.03 0.52 -0.73 0.00 0.00 179.01 179.78 1n5b h MET 109 N 0.88 0.78 0.11 1.92 2.86 -1.13 -0.98 114.93 119.37 1n5b h MET 109 Ca 0.17 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1n5b h MET 109 Cb 0.46 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1n5b h MET 109 CO 0.02 0.81 -0.05 1.25 1.06 0.00 0.00 176.91 179.99 1n5b h LEU 110 N 0.73 -0.12 -1.17 1.22 5.85 -1.00 -0.89 115.31 119.92 1n5b h LEU 110 Ca 0.14 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1n5b h LEU 110 Cb 0.48 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1n5b h LEU 110 CO 0.02 0.12 0.39 0.58 -0.34 0.00 0.00 178.44 179.21 1n5b h VAL 111 N -0.36 1.21 -0.36 1.05 2.07 -1.21 -0.60 116.25 118.05 1n5b h VAL 111 Ca -0.01 -0.51 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 1n5b h VAL 111 Cb 0.30 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1n5b h VAL 111 CO 0.02 0.23 -0.35 1.56 0.02 0.00 0.00 177.57 179.05 1n5b h GLN 112 N 0.97 0.83 -0.71 1.57 4.20 -1.12 -1.22 115.11 119.63 1n5b h GLN 112 Ca 0.25 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1n5b h GLN 112 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1n5b h GLN 112 CO -0.04 1.05 0.42 0.78 -0.67 0.00 0.00 178.83 180.37 1n5b h GLY 113 N 0.89 1.04 1.09 3.46 0.00 -0.47 -1.38 103.07 107.70 1n5b h GLY 113 Ca 0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1n5b h GLY 113 CO 0.08 0.43 0.26 0.00 0.00 0.00 0.00 176.54 177.31 1n5b h ALA 114 N 1.22 1.04 -0.61 3.60 0.00 -0.82 -2.76 119.26 120.92 1n5b h ALA 114 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n5b h ALA 114 Cb -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1n5b h ALA 114 CO -0.05 0.66 0.28 0.93 0.00 0.00 0.00 179.25 181.07 1n5b h GLU 115 N 1.11 0.89 0.00 0.00 5.08 -0.72 -2.55 114.58 118.38 1n5b h GLU 115 Ca 0.25 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1n5b h GLU 115 Cb 0.27 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1n5b h GLU 115 CO -0.01 0.73 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 1n5b h ARG 116 N 0.84 0.00 0.00 2.33 3.08 -0.98 -2.01 114.38 117.64 1n5b h ARG 116 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1n5b h ARG 116 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1n5b h ARG 116 CO -0.02 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.81 1n5b h LEU 117 N 0.00 0.00 0.00 3.04 3.38 -1.32 -3.52 115.31 116.90 1n5b h LEU 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n5b h LEU 117 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n5b h LEU 117 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1n5b n GLN 118 N -2.43 1.87 0.00 1.13 6.02 -0.76 -4.61 117.38 118.60 1n5b n GLN 118 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1n5b n GLN 118 Cb 0.44 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.70 1n5b n GLN 118 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1n5b n PRO 126 N -0.47 0.00 -5.24 -1.09 -0.04 -1.26 -4.98 135.00 121.92 1n5b n PRO 126 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1n5b n PRO 126 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 1n5b n PRO 126 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1n5b s ARG 127 N 0.00 2.74 -0.31 0.54 0.52 -1.26 -5.11 118.95 116.08 1n5b s ARG 127 Ca 0.00 -0.89 -0.20 0.00 -0.52 0.00 0.00 55.73 54.12 1n5b s ARG 127 Cb 0.00 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 1n5b s ARG 127 CO 0.00 0.31 0.63 -1.54 0.02 0.00 0.00 175.30 174.71 1n5b s SER 128 N 0.02 6.49 0.00 0.23 1.04 -1.26 -5.30 113.70 114.92 1n5b s SER 128 Ca -0.09 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1n5b s SER 128 Cb -0.15 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1n5b s SER 128 CO 0.06 -0.48 0.40 2.22 0.98 0.00 0.00 173.24 176.41