#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 0.82 -0.71 0.66 3.57 -1.98 -1.34 116.94 117.96 1n5b h PHE 4 Ca 0.00 -0.39 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 1n5b h PHE 4 Cb 0.00 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1n5b h PHE 4 CO 0.00 1.19 0.40 0.93 -2.23 0.00 0.00 178.31 178.60 1n5b h GLU 5 N 0.22 0.98 -0.16 1.11 3.07 -1.99 -0.25 114.58 117.56 1n5b h GLU 5 Ca -0.06 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 1n5b h GLU 5 Cb 1.31 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 29.01 1n5b h GLU 5 CO 0.13 0.72 -0.44 0.37 -1.40 0.00 0.00 179.01 178.39 1n5b h GLN 6 N 0.99 0.39 -0.03 2.33 4.15 -1.97 -1.33 115.11 119.64 1n5b h GLN 6 Ca 0.25 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1n5b h GLN 6 Cb 0.01 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1n5b h GLN 6 CO -0.04 0.76 -0.01 0.00 -1.93 0.00 0.00 178.83 177.60 1n5b h ALA 7 N 1.22 0.04 -0.68 3.38 0.00 -0.15 -0.94 119.26 122.13 1n5b h ALA 7 Ca 0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1n5b h ALA 7 Cb 0.90 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1n5b h ALA 7 CO 0.08 -0.23 0.19 0.82 0.00 0.00 0.00 179.25 180.10 1n5b h ILE 8 N -0.33 1.25 -0.02 0.00 1.08 -1.08 -0.88 117.51 117.53 1n5b h ILE 8 Ca 0.01 -0.90 -0.00 0.00 -0.39 0.00 0.00 64.86 63.58 1n5b h ILE 8 Cb 0.44 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1n5b h ILE 8 CO 0.00 0.35 0.01 0.74 -0.69 0.00 0.00 178.15 178.56 1n5b h THR 9 N 1.01 1.11 -0.87 -0.27 2.02 -1.21 -0.41 112.91 114.29 1n5b h THR 9 Ca 0.22 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1n5b h THR 9 Cb 0.32 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1n5b h THR 9 CO -0.00 0.08 0.48 -0.61 0.37 0.00 0.00 175.52 175.84 1n5b h GLN 10 N -0.10 1.22 -0.34 6.66 4.15 -1.00 -1.69 115.11 124.01 1n5b h GLN 10 Ca 0.01 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1n5b h GLN 10 Cb 0.13 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1n5b h GLN 10 CO -0.00 0.89 0.05 1.25 -1.93 0.00 0.00 178.83 179.09 1n5b h LEU 11 N 1.22 0.54 -1.51 -2.39 5.85 -0.98 -1.41 115.31 116.64 1n5b h LEU 11 Ca 0.31 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1n5b h LEU 11 Cb 0.02 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1n5b h LEU 11 CO -0.05 0.67 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.43 1n5b h PHE 12 N 0.39 0.28 0.38 1.25 -1.00 -0.86 -1.56 116.94 115.82 1n5b h PHE 12 Ca 0.10 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 1n5b h PHE 12 Cb 0.36 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1n5b h PHE 12 CO 0.02 0.32 -0.18 0.37 -1.61 0.00 0.00 178.31 177.23 1n5b h GLN 13 N 0.27 -0.49 -0.36 1.51 4.15 -0.94 0.59 115.11 119.85 1n5b h GLN 13 Ca 0.06 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.61 1n5b h GLN 13 Cb 0.24 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1n5b h GLN 13 CO 0.01 -0.20 0.25 1.96 -1.93 0.00 0.00 178.83 178.92 1n5b h GLN 14 N -0.74 0.03 -0.24 1.69 4.20 -0.87 0.81 115.11 119.99 1n5b h GLN 14 Ca -0.05 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1n5b h GLN 14 Cb 0.51 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1n5b h GLN 14 CO 0.08 0.02 0.00 1.28 -0.67 0.00 0.00 178.83 179.55 1n5b n LEU 15 N -4.44 2.25 -3.51 1.46 4.77 -0.62 -4.93 117.00 111.98 1n5b n LEU 15 Ca 0.05 -0.95 -0.23 0.00 -0.03 0.00 0.00 56.01 54.85 1n5b n LEU 15 Cb 0.41 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1n5b n LEU 15 CO 0.36 0.48 0.23 -1.20 -1.33 0.00 0.00 177.39 175.92 1n5b n SER 16 N 0.71 -5.79 -4.85 -1.43 7.64 0.28 -4.99 113.62 105.18 1n5b n SER 16 Ca 0.17 -0.54 -0.33 0.00 1.01 0.00 0.00 58.87 59.18 1n5b n SER 16 Cb 0.42 -4.94 -0.06 0.00 -1.01 0.00 0.00 64.21 58.62 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 -7.06 4.15 -0.34 -3.43 1.43 0.20 -5.02 118.68 108.62 1n5b s LEU 17 Ca 0.51 0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.56 1n5b s LEU 17 Cb -0.22 -2.48 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 1n5b s LEU 17 CO 0.71 0.26 2.28 -1.54 0.23 0.00 0.00 176.35 178.30 1n5b n SER 18 N 1.00 2.69 -4.60 2.29 3.41 -1.26 -4.48 113.62 112.67 1n5b n SER 18 Ca -0.11 0.06 -0.44 0.00 -0.26 0.00 0.00 58.87 58.12 1n5b n SER 18 Cb 0.53 -1.48 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 1n5b n SER 18 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1n5b n ILE 19 N 7.71 0.38 -2.21 -1.33 -0.00 -1.26 -4.92 119.36 117.72 1n5b n ILE 19 Ca 0.35 -0.41 -0.42 0.00 -0.00 0.00 0.00 62.75 62.27 1n5b n ILE 19 Cb 0.41 -2.48 -0.03 0.00 -0.00 0.00 0.00 39.64 37.55 1n5b n ILE 19 CO 0.00 0.00 0.00 -2.84 -0.00 0.00 0.00 176.55 173.71 1n5b s PRO 20 N 6.14 4.33 0.44 0.38 0.02 -1.26 -4.89 135.00 140.15 1n5b s PRO 20 Ca 1.00 2.02 0.24 0.00 0.02 0.00 0.00 61.00 64.28 1n5b s PRO 20 Cb -0.38 -3.31 0.79 0.00 0.02 0.00 0.00 34.50 31.62 1n5b s PRO 20 CO 0.37 -0.43 1.77 -0.44 -0.33 0.00 0.00 177.00 177.93 1n5b h ASP 21 N 6.97 0.00 -3.34 2.53 3.45 -2.04 -3.41 116.42 120.58 1n5b h ASP 21 Ca -0.41 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.39 1n5b h ASP 21 Cb 1.21 0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 39.71 1n5b h ASP 21 CO 0.86 0.19 -0.73 0.28 -1.57 0.00 0.00 179.24 178.27 1n5b s THR 22 N -3.49 3.28 -0.42 0.35 -1.32 -1.26 -5.08 115.64 107.70 1n5b s THR 22 Ca 0.02 -0.55 -0.06 0.00 -1.21 0.00 0.00 61.69 59.89 1n5b s THR 22 Cb 0.09 -2.44 0.10 0.00 -1.51 0.00 0.00 72.50 68.74 1n5b s THR 22 CO 0.64 0.47 0.24 -0.63 -2.21 0.00 0.00 174.62 173.13 1n5b s ILE 23 N 0.93 3.69 1.04 5.08 1.01 -1.26 -5.09 121.20 126.60 1n5b s ILE 23 Ca -0.01 -1.81 -0.12 0.00 0.00 0.00 0.00 60.65 58.71 1n5b s ILE 23 Cb -0.15 -3.42 0.21 0.00 0.01 0.00 0.00 42.46 39.12 1n5b s ILE 23 CO 0.00 -0.63 1.07 -1.61 0.00 0.00 0.00 174.94 173.77 1n5b s GLU 24 N 1.26 0.06 0.13 2.79 8.01 -1.26 -4.95 118.70 124.75 1n5b s GLU 24 Ca 0.06 0.88 -0.16 0.00 0.01 0.00 0.00 54.97 55.76 1n5b s GLU 24 Cb -0.23 -1.67 -0.01 0.00 -4.31 0.00 0.00 34.13 27.91 1n5b s GLU 24 CO -0.02 -3.07 1.67 -1.00 0.01 0.00 0.00 175.26 172.85 1n5b h PRO 25 N -2.16 0.61 -4.96 0.39 0.13 -1.98 -3.40 132.00 120.63 1n5b h PRO 25 Ca -0.55 -0.12 -0.66 0.00 -0.87 0.00 0.00 66.00 63.80 1n5b h PRO 25 Cb 1.31 -0.09 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 1n5b h PRO 25 CO 0.51 0.58 -0.70 0.08 -0.23 0.00 0.00 178.00 178.24 1n5b s VAL 26 N -5.50 3.50 0.15 1.56 1.01 -1.26 -4.38 120.40 115.47 1n5b s VAL 26 Ca -0.13 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1n5b s VAL 26 Cb 0.10 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1n5b s VAL 26 CO 0.76 0.34 0.39 -0.63 0.00 0.00 0.00 175.10 175.96 1n5b s ILE 27 N 1.48 5.14 -0.03 2.22 -1.09 0.85 -4.90 121.20 124.88 1n5b s ILE 27 Ca 0.05 0.10 0.07 0.00 -2.23 0.00 0.00 60.65 58.63 1n5b s ILE 27 Cb -0.15 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 1n5b s ILE 27 CO -0.02 0.05 -0.24 -0.83 -1.23 0.00 0.00 174.94 172.67 1n5b s GLY 28 N -2.38 1.16 -0.11 6.18 0.00 -1.26 -0.13 107.32 110.78 1n5b s GLY 28 Ca 0.41 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 44.08 1n5b s GLY 28 CO 0.24 -0.79 0.22 0.14 0.00 0.00 0.00 173.10 172.90 1n5b s VAL 29 N -0.47 -0.35 -0.16 1.40 1.01 -0.10 -5.00 120.40 116.73 1n5b s VAL 29 Ca 0.07 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1n5b s VAL 29 Cb -0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1n5b s VAL 29 CO -0.00 0.12 0.22 -0.75 0.00 0.00 0.00 175.10 174.69 1n5b s LYS 30 N 2.36 4.11 -0.61 2.72 2.20 -1.26 -0.47 119.74 128.79 1n5b s LYS 30 Ca 0.02 -0.03 0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1n5b s LYS 30 Cb -0.12 -3.38 0.15 0.00 -1.51 0.00 0.00 37.83 32.97 1n5b s LYS 30 CO -0.07 0.35 0.39 0.08 -0.36 0.00 0.00 175.35 175.73 1n5b s VAL 31 N 0.16 2.60 0.00 4.02 1.01 0.11 -4.98 120.40 123.32 1n5b s VAL 31 Ca 0.13 -3.76 0.00 0.00 0.00 0.00 0.00 61.98 58.35 1n5b s VAL 31 Cb -0.12 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1n5b s VAL 31 CO 0.02 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.80 1n5b n GLY 32 N 2.52 2.38 0.23 4.51 0.00 -1.26 -2.73 105.19 110.85 1n5b n GLY 32 Ca 0.14 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 10.37 0.81 -3.55 1.61 0.28 -1.26 -4.83 120.64 124.07 1n5b n GLU 33 Ca 0.00 -0.47 -0.41 0.00 -0.16 0.00 0.00 57.16 56.12 1n5b n GLU 33 Cb 0.00 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.27 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 -2.51 3.22 -0.41 -1.84 0.40 -1.11 -5.05 117.98 110.69 1n5b s PHE 34 Ca 0.24 -0.54 -0.23 0.00 -0.60 0.00 0.00 56.93 55.80 1n5b s PHE 34 Cb 0.19 -2.47 0.02 0.00 0.51 0.00 0.00 43.02 41.27 1n5b s PHE 34 CO 0.52 -0.50 0.81 0.00 0.70 0.00 0.00 175.22 176.75 1n5b s ALA 35 N 1.65 3.34 -0.05 5.36 0.00 -1.26 -0.72 121.76 130.09 1n5b s ALA 35 Ca 0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1n5b s ALA 35 Cb -0.18 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1n5b s ALA 35 CO 0.09 -1.75 0.07 0.00 0.00 0.00 0.00 175.76 174.17 1n5b s HIS 37 N -1.09 2.78 -0.10 0.00 3.76 0.91 -0.92 115.29 120.63 1n5b s HIS 37 Ca 0.19 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 1n5b s HIS 37 Cb -0.12 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1n5b s HIS 37 CO 0.09 0.06 -0.18 0.42 -0.85 0.00 0.00 174.74 174.29 1n5b s ILE 38 N -0.34 1.65 0.30 0.60 1.01 0.81 -0.78 121.20 124.45 1n5b s ILE 38 Ca 0.03 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 1n5b s ILE 38 Cb -0.13 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1n5b s ILE 38 CO 0.02 0.47 0.60 0.28 0.00 0.00 0.00 174.94 176.32 1n5b s THR 39 N 0.71 0.00 -0.26 2.92 -1.32 0.43 -0.10 115.64 118.03 1n5b s THR 39 Ca -0.12 -1.25 -0.08 0.00 -1.21 0.00 0.00 61.69 59.02 1n5b s THR 39 Cb -0.16 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1n5b s THR 39 CO 0.03 0.00 0.11 -0.70 -2.21 0.00 0.00 174.62 171.84 1n5b s GLU 40 N -3.50 3.75 -0.30 7.08 2.12 -1.26 -0.01 118.70 126.58 1n5b s GLU 40 Ca 0.19 -0.43 -0.17 0.00 0.36 0.00 0.00 54.97 54.93 1n5b s GLU 40 Cb -0.03 -3.43 0.18 0.00 0.26 0.00 0.00 34.13 31.12 1n5b s GLU 40 CO 0.11 -0.18 1.17 -1.58 -0.54 0.00 0.00 175.26 174.24 1n5b s HIS 41 N 1.64 -0.28 0.86 5.30 2.46 -0.64 -4.69 115.29 119.93 1n5b s HIS 41 Ca 0.06 0.38 -0.15 0.00 0.47 0.00 0.00 55.06 55.82 1n5b s HIS 41 Cb -0.15 0.13 0.20 0.00 -0.13 0.00 0.00 32.58 32.63 1n5b s HIS 41 CO 0.06 -0.15 1.06 -0.35 -2.47 0.00 0.00 174.74 172.90 1n5b n PRO 42 N 5.10 -1.47 -1.65 2.88 -0.04 -1.26 -4.55 135.00 134.02 1n5b n PRO 42 Ca -0.08 -1.65 -0.50 0.00 -0.04 0.00 0.00 63.50 61.23 1n5b n PRO 42 Cb 0.54 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 1n5b n PRO 42 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1n5b n VAL 43 N -3.74 0.12 -0.40 0.52 0.31 -1.26 -0.87 118.33 113.00 1n5b n VAL 43 Ca 0.14 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1n5b n VAL 43 Cb 0.48 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 1n5b n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n5b n GLY 44 N 3.29 0.70 3.14 2.92 0.00 -1.26 -5.05 105.19 108.94 1n5b n GLY 44 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.60 2.38 -0.24 1.61 -1.52 -0.05 -0.37 119.66 120.87 1n5b s GLN 45 Ca 0.00 -0.68 -0.17 0.00 -1.95 0.00 0.00 55.36 52.56 1n5b s GLN 45 Cb 0.00 -1.88 -0.03 0.00 -0.22 0.00 0.00 33.01 30.88 1n5b s GLN 45 CO 0.00 0.14 0.47 0.42 -0.25 0.00 0.00 175.29 176.07 1n5b s ILE 46 N 0.41 5.12 -0.12 1.08 -1.09 0.13 -1.63 121.20 125.10 1n5b s ILE 46 Ca -0.15 0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 59.07 1n5b s ILE 46 Cb -0.16 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1n5b s ILE 46 CO 0.06 0.15 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.60 1n5b s LEU 47 N 1.96 2.96 -0.04 2.97 2.96 0.98 -2.00 118.68 128.48 1n5b s LEU 47 Ca 0.20 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 1n5b s LEU 47 Cb -0.15 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.87 1n5b s LEU 47 CO 0.09 0.22 -0.13 -0.04 -1.32 0.00 0.00 176.35 175.17 1n5b s MET 48 N 0.02 1.46 0.03 1.98 -1.94 -0.86 -0.42 119.30 119.57 1n5b s MET 48 Ca -0.02 -0.45 -0.09 0.00 -1.71 0.00 0.00 55.69 53.42 1n5b s MET 48 Cb -0.14 -1.28 0.00 0.00 2.01 0.00 0.00 34.83 35.43 1n5b s MET 48 CO 0.04 0.14 0.17 -0.59 -0.01 0.00 0.00 175.02 174.77 1n5b s PHE 49 N 0.25 0.07 0.08 -0.03 -0.12 0.04 -1.73 117.98 116.54 1n5b s PHE 49 Ca -0.06 -0.26 0.02 0.00 -0.05 0.00 0.00 56.93 56.58 1n5b s PHE 49 Cb -0.11 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 1n5b s PHE 49 CO 0.02 -0.39 -0.07 -0.08 -0.05 0.00 0.00 175.22 174.65 1n5b s THR 50 N -2.27 0.65 -0.83 -4.49 -1.32 -0.34 -0.06 115.64 106.98 1n5b s THR 50 Ca -0.07 -1.66 -0.08 0.00 -1.21 0.00 0.00 61.69 58.67 1n5b s THR 50 Cb -0.03 -1.34 0.21 0.00 -1.51 0.00 0.00 72.50 69.84 1n5b s THR 50 CO -0.02 -0.71 0.73 -0.76 -2.21 0.00 0.00 174.62 171.65 1n5b s LEU 51 N -2.57 6.05 1.05 9.08 1.02 -1.26 -1.35 118.68 130.70 1n5b s LEU 51 Ca 0.05 -3.07 -0.13 0.00 0.02 0.00 0.00 54.13 51.00 1n5b s LEU 51 Cb 0.00 -2.05 0.22 0.00 0.02 0.00 0.00 46.19 44.38 1n5b s LEU 51 CO -0.03 -0.40 1.07 -2.16 0.02 0.00 0.00 176.35 174.86 1n5b s PRO 52 N -0.41 -0.02 -0.37 1.29 0.04 -1.26 -4.98 135.00 129.28 1n5b s PRO 52 Ca 0.21 0.59 0.04 0.00 0.04 0.00 0.00 61.00 61.89 1n5b s PRO 52 Cb -0.12 -1.68 0.11 0.00 0.04 0.00 0.00 34.50 32.84 1n5b s PRO 52 CO -0.08 -3.06 0.09 -1.54 0.04 0.00 0.00 177.00 172.45 1n5b s SER 53 N -3.19 4.69 0.00 6.66 1.04 -1.26 -4.57 113.70 117.07 1n5b s SER 53 Ca 0.66 -2.31 0.00 0.00 0.48 0.00 0.00 55.95 54.79 1n5b s SER 53 Cb -0.20 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1n5b s SER 53 CO 0.60 -0.35 0.00 0.18 0.98 0.00 0.00 173.24 174.64 1n5b n LEU 54 N 4.05 0.00 -3.70 2.42 4.77 -1.26 -4.92 117.00 118.37 1n5b n LEU 54 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1n5b n LEU 54 Cb 0.40 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 1n5b n LEU 54 CO 0.24 -0.05 0.11 -1.81 -1.33 0.00 0.00 177.39 174.55 1n5b s ASP 55 N -1.23 -0.55 0.54 -1.43 1.01 -1.26 -5.01 116.67 108.73 1n5b s ASP 55 Ca 0.00 0.97 0.23 0.00 0.71 0.00 0.00 52.55 54.46 1n5b s ASP 55 Cb 0.00 0.89 1.24 0.00 1.01 0.00 0.00 42.92 46.06 1n5b s ASP 55 CO 0.00 -0.19 1.66 -0.55 0.21 0.00 0.00 175.17 176.30 1n5b h ASN 56 N 6.63 0.00 0.32 0.27 7.08 -2.04 0.17 115.58 128.00 1n5b h ASN 56 Ca -0.33 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 52.78 1n5b h ASN 56 Cb 1.19 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.41 1n5b h ASN 56 CO 0.26 0.00 -0.45 0.78 -2.08 0.00 0.00 177.43 175.93 1n5b h ASN 57 N 0.00 0.19 -3.42 6.14 2.35 -2.03 -3.44 115.58 115.36 1n5b h ASN 57 Ca 0.00 -0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 55.14 1n5b h ASN 57 Cb 0.67 -0.05 0.05 0.00 0.05 0.00 0.00 38.32 39.05 1n5b h ASN 57 CO 0.00 0.62 0.74 0.20 -1.65 0.00 0.00 177.43 177.34 1n5b s ASN 58 N -6.89 6.69 0.50 5.81 0.01 0.05 -5.02 114.94 116.09 1n5b s ASN 58 Ca -0.04 2.64 -0.05 0.00 -0.71 0.00 0.00 52.86 54.70 1n5b s ASN 58 Cb 0.13 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 1n5b s ASN 58 CO 0.77 -0.67 0.80 -0.70 -1.51 0.00 0.00 177.10 175.78 1n5b s GLU 59 N -0.44 3.41 0.13 -0.60 2.56 -1.26 -4.93 118.70 117.57 1n5b s GLU 59 Ca 0.58 0.12 -0.25 0.00 0.00 0.00 0.00 54.97 55.42 1n5b s GLU 59 Cb -0.41 -2.37 -0.02 0.00 2.00 0.00 0.00 34.13 33.33 1n5b s GLU 59 CO 0.43 -0.29 1.63 0.87 -0.56 0.00 0.00 175.26 177.34 1n5b h LYS 60 N 0.17 -0.35 -0.95 4.30 1.57 -1.99 -1.53 116.57 117.80 1n5b h LYS 60 Ca -0.47 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1n5b h LYS 60 Cb 1.22 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.55 1n5b h LYS 60 CO 0.61 -0.23 0.62 0.93 -0.57 0.00 0.00 179.45 180.82 1n5b h GLU 61 N -0.36 1.16 -0.36 3.15 3.07 -1.97 0.11 114.58 119.38 1n5b h GLU 61 Ca 0.09 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1n5b h GLU 61 Cb 0.50 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1n5b h GLU 61 CO -0.31 0.77 0.16 1.15 -1.40 0.00 0.00 179.01 179.38 1n5b h THR 62 N 1.20 1.17 -0.54 1.13 2.02 -1.86 0.21 112.91 116.24 1n5b h THR 62 Ca 0.38 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1n5b h THR 62 Cb 0.02 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1n5b h THR 62 CO -0.12 0.18 0.08 -0.07 0.37 0.00 0.00 175.52 175.96 1n5b h LEU 63 N 0.44 0.86 -1.46 2.58 3.38 -0.60 -2.67 115.31 117.85 1n5b h LEU 63 Ca 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1n5b h LEU 63 Cb 0.14 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1n5b h LEU 63 CO -0.01 0.91 0.00 -0.07 0.09 0.00 0.00 178.44 179.36 1n5b h LEU 64 N 0.78 0.00 -1.43 1.67 3.38 -0.63 -2.99 115.31 116.08 1n5b h LEU 64 Ca 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1n5b h LEU 64 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1n5b h LEU 64 CO 0.01 0.00 -0.20 0.28 0.09 0.00 0.00 178.44 178.62 1n5b h SER 65 N 0.00 0.12 0.13 -0.43 0.02 -0.58 -1.95 113.55 110.86 1n5b h SER 65 Ca 0.00 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1n5b h SER 65 Cb 0.51 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1n5b h SER 65 CO 0.00 0.33 -0.03 0.45 -1.14 0.00 0.00 176.83 176.44 1n5b h HIS 66 N 0.12 0.00 -0.11 3.45 3.86 -1.61 -2.89 115.15 117.96 1n5b h HIS 66 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1n5b h HIS 66 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1n5b h HIS 66 CO 0.00 0.03 0.00 0.09 0.86 0.00 0.00 177.93 178.91 1n5b n ASN 67 N -3.58 1.60 -4.76 2.45 3.02 -0.73 -4.83 115.26 108.42 1n5b n ASN 67 Ca -0.03 -1.63 -0.38 0.00 -0.03 0.00 0.00 54.58 52.51 1n5b n ASN 67 Cb 0.13 -0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1n5b n ASN 67 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1n5b s ILE 68 N -1.86 2.64 0.74 2.41 1.10 -1.10 -4.96 121.20 120.17 1n5b s ILE 68 Ca 0.34 0.49 -0.13 0.00 -0.51 0.00 0.00 60.65 60.85 1n5b s ILE 68 Cb 0.19 -3.26 0.04 0.00 0.15 0.00 0.00 42.46 39.58 1n5b s ILE 68 CO 0.29 0.01 1.13 0.72 -2.11 0.00 0.00 174.94 174.97 1n5b s PHE 69 N -1.41 2.39 0.03 3.50 -0.12 -1.26 -5.06 117.98 116.05 1n5b s PHE 69 Ca 0.66 1.59 0.01 0.00 -0.05 0.00 0.00 56.93 59.13 1n5b s PHE 69 Cb -0.34 -3.20 -0.00 0.00 -0.63 0.00 0.00 43.02 38.84 1n5b s PHE 69 CO 0.42 -2.02 0.03 -1.13 -0.05 0.00 0.00 175.22 172.47 1n5b n SER 70 N -3.04 -0.08 0.03 1.98 3.41 -1.26 -5.03 113.62 109.63 1n5b n SER 70 Ca 0.11 -1.22 0.13 0.00 -0.26 0.00 0.00 58.87 57.62 1n5b n SER 70 Cb 0.52 0.19 0.52 0.00 -0.26 0.00 0.00 64.21 65.18 1n5b n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n5b n GLN 71 N -0.06 0.08 -3.62 4.33 10.64 -1.26 -4.66 117.38 122.83 1n5b n GLN 71 Ca 0.01 0.10 -0.39 0.00 -1.83 0.00 0.00 57.00 54.89 1n5b n GLN 71 Cb 0.06 -1.60 -0.11 0.00 -0.86 0.00 0.00 30.24 27.73 1n5b n GLN 71 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1n5b s ASP 72 N -3.47 5.70 0.00 2.61 -1.08 -1.26 -4.95 116.67 114.22 1n5b s ASP 72 Ca 0.12 -0.41 0.15 0.00 -0.52 0.00 0.00 52.55 51.89 1n5b s ASP 72 Cb 0.16 -2.05 0.65 0.00 -1.46 0.00 0.00 42.92 40.22 1n5b s ASP 72 CO 0.51 -0.17 1.47 2.30 0.52 0.00 0.00 175.17 179.80 1n5b n ILE 73 N 5.02 0.93 1.19 4.11 -5.35 -1.26 -2.35 119.36 121.64 1n5b n ILE 73 Ca -0.14 0.23 0.12 0.00 -0.27 0.00 0.00 62.75 62.70 1n5b n ILE 73 Cb 0.50 -0.98 0.25 0.00 -1.74 0.00 0.00 39.64 37.68 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 -1.47 1.66 -4.69 7.28 4.77 -1.26 -4.66 117.00 118.63 1n5b n LEU 74 Ca 0.04 -0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 55.04 1n5b n LEU 74 Cb 0.17 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1n5b n LEU 74 CO 0.14 0.30 1.40 1.17 -1.33 0.00 0.00 177.39 179.06 1n5b n LYS 75 N -0.06 2.62 -2.06 3.23 4.81 -0.99 -4.60 118.16 121.11 1n5b n LYS 75 Ca 0.13 0.95 -0.34 0.00 -0.87 0.00 0.00 58.31 58.17 1n5b n LYS 75 Cb 0.42 -2.80 0.02 0.00 0.02 0.00 0.00 35.03 32.68 1n5b n LYS 75 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1n5b s PRO 76 N 2.05 3.13 -0.16 1.64 0.04 -1.26 -4.86 135.00 135.57 1n5b s PRO 76 Ca 0.80 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 1n5b s PRO 76 Cb -0.54 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1n5b s PRO 76 CO 0.37 -1.02 0.07 0.42 0.04 0.00 0.00 177.00 176.88 1n5b s ILE 77 N -1.96 4.90 -0.16 0.56 -1.09 0.28 -4.77 121.20 118.96 1n5b s ILE 77 Ca 0.71 -0.00 -0.16 0.00 -2.23 0.00 0.00 60.65 58.97 1n5b s ILE 77 Cb -0.23 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 1n5b s ILE 77 CO 0.32 0.50 0.39 -0.22 -1.23 0.00 0.00 174.94 174.71 1n5b s LEU 78 N -0.02 4.22 0.00 2.97 2.96 -1.26 -0.70 118.68 126.86 1n5b s LEU 78 Ca 0.07 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1n5b s LEU 78 Cb -0.12 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.04 1n5b s LEU 78 CO 0.01 0.00 0.00 -1.54 -1.32 0.00 0.00 176.35 173.50 1n5b n SER 79 N 3.93 0.00 -3.84 3.68 3.41 0.91 -4.95 113.62 116.76 1n5b n SER 79 Ca -0.09 -0.75 -0.13 0.00 -0.26 0.00 0.00 58.87 57.64 1n5b n SER 79 Cb 0.51 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.52 0.00 -0.46 7.33 -0.11 -1.26 -1.48 118.94 120.44 1n5b s TRP 80 Ca 0.00 0.06 -0.13 0.00 1.22 0.00 0.00 56.10 57.25 1n5b s TRP 80 Cb 0.00 -0.07 0.08 0.00 -1.50 0.00 0.00 33.47 31.97 1n5b s TRP 80 CO 0.00 -0.03 0.36 0.34 -4.62 0.00 0.00 176.95 172.99 1n5b s ASP 81 N 0.36 5.98 0.56 5.86 2.15 -0.62 -4.90 116.67 126.06 1n5b s ASP 81 Ca -0.03 -1.41 0.33 0.00 0.43 0.00 0.00 52.55 51.87 1n5b s ASP 81 Cb -0.04 -2.12 1.62 0.00 -0.30 0.00 0.00 42.92 42.07 1n5b s ASP 81 CO -0.01 -0.62 2.10 1.05 -0.17 0.00 0.00 175.17 177.52 1n5b h GLU 82 N 8.64 0.00 0.32 4.34 4.11 -1.97 0.20 114.58 130.22 1n5b h GLU 82 Ca -0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.15 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 0.85 0.07 -0.15 0.28 0.07 0.00 0.00 179.01 180.12 1n5b h VAL 83 N 0.00 0.41 0.00 -1.06 2.07 -1.96 -3.33 116.25 112.38 1n5b h VAL 83 Ca -0.00 -0.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 1n5b h VAL 83 Cb 0.34 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1n5b h VAL 83 CO 0.01 0.10 -0.66 1.23 0.02 0.00 0.00 177.57 178.27 1n5b h GLY 84 N -0.99 0.00 -1.72 2.17 0.00 -1.99 -3.48 103.07 97.06 1n5b h GLY 84 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1n5b h GLY 84 CO 0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.22 1n5b n GLY 85 N 0.90 0.58 3.46 4.60 0.00 0.69 -5.08 105.19 110.33 1n5b n GLY 85 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.98 -0.44 0.69 1.61 -3.43 -1.15 -5.02 115.29 104.58 1n5b s HIS 86 Ca 0.00 0.19 -0.14 0.00 -0.80 0.00 0.00 55.06 54.31 1n5b s HIS 86 Cb 0.00 0.54 0.02 0.00 -1.43 0.00 0.00 32.58 31.71 1n5b s HIS 86 CO 0.00 -0.88 1.12 -2.14 -2.00 0.00 0.00 174.74 170.83 1n5b s PRO 87 N -3.78 2.59 -0.07 -0.38 0.02 -1.26 -1.59 135.00 130.53 1n5b s PRO 87 Ca 0.03 1.38 -0.03 0.00 0.02 0.00 0.00 61.00 62.40 1n5b s PRO 87 Cb -0.01 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.62 1n5b s PRO 87 CO -0.10 -1.41 0.13 0.08 -0.33 0.00 0.00 177.00 175.37 1n5b s VAL 88 N -2.43 -0.19 -0.15 3.83 1.01 -0.55 -4.24 120.40 117.68 1n5b s VAL 88 Ca 0.66 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.92 1n5b s VAL 88 Cb -0.21 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1n5b s VAL 88 CO 0.45 0.14 0.06 -0.22 0.00 0.00 0.00 175.10 175.54 1n5b s LEU 89 N 2.06 3.87 0.04 3.92 2.96 -0.46 -0.06 118.68 131.02 1n5b s LEU 89 Ca 0.01 0.16 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 1n5b s LEU 89 Cb -0.12 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.65 1n5b s LEU 89 CO -0.05 0.26 0.37 -1.66 -1.32 0.00 0.00 176.35 173.95 1n5b s TRP 90 N -0.13 -0.21 0.17 5.38 1.48 0.13 -1.20 118.94 124.55 1n5b s TRP 90 Ca 0.07 0.13 -0.00 0.00 -1.06 0.00 0.00 56.10 55.24 1n5b s TRP 90 Cb -0.12 0.17 -0.04 0.00 -1.16 0.00 0.00 33.47 32.32 1n5b s TRP 90 CO 0.01 -0.55 0.07 0.54 -4.06 0.00 0.00 176.95 172.96 1n5b s ASN 91 N -2.04 0.53 0.04 -2.66 2.20 -0.70 1.00 114.94 113.31 1n5b s ASN 91 Ca -0.05 -1.26 -0.23 0.00 -0.94 0.00 0.00 52.86 50.38 1n5b s ASN 91 Cb -0.01 0.27 0.05 0.00 -2.00 0.00 0.00 41.25 39.56 1n5b s ASN 91 CO -0.03 -0.72 0.53 -0.60 -2.94 0.00 0.00 177.10 173.34 1n5b s ARG 92 N -4.05 1.03 0.03 3.55 3.52 -1.26 -2.02 118.95 119.75 1n5b s ARG 92 Ca 0.29 -0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.43 1n5b s ARG 92 Cb 0.07 0.47 0.07 0.00 -1.56 0.00 0.00 34.95 34.00 1n5b s ARG 92 CO 0.06 -0.37 0.65 1.14 -0.81 0.00 0.00 175.30 175.97 1n5b s GLN 93 N -2.29 1.14 0.25 5.12 -2.07 -0.85 -4.74 119.66 116.22 1n5b s GLN 93 Ca -0.06 -0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.16 1n5b s GLN 93 Cb -0.01 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.35 1n5b s GLN 93 CO -0.00 -0.41 1.23 -1.25 -1.32 0.00 0.00 175.29 173.53 1n5b s PRO 94 N -2.16 4.47 0.48 9.60 0.04 -1.26 0.18 135.00 146.34 1n5b s PRO 94 Ca -0.06 1.99 0.27 0.00 0.04 0.00 0.00 61.00 63.23 1n5b s PRO 94 Cb -0.00 -3.17 0.73 0.00 0.04 0.00 0.00 34.50 32.09 1n5b s PRO 94 CO 0.01 -0.08 1.75 1.25 0.04 0.00 0.00 177.00 179.97 1n5b h LEU 95 N 4.47 0.00 -0.03 -3.56 5.85 -1.05 -3.27 115.31 117.72 1n5b h LEU 95 Ca -0.46 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 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 0.71 0.01 -0.09 -0.55 -0.34 0.00 0.00 178.44 178.19 1n5b h ASN 96 N 0.00 0.13 -3.21 1.25 -1.07 -1.93 -3.35 115.58 107.41 1n5b h ASN 96 Ca -0.00 -0.60 -0.78 0.00 0.07 0.00 0.00 56.30 54.99 1n5b h ASN 96 Cb 0.82 -0.04 -0.25 0.00 -2.07 0.00 0.00 38.32 36.78 1n5b h ASN 96 CO 0.00 0.71 0.67 0.21 0.07 0.00 0.00 177.43 179.08 1n5b s ASN 97 N -5.97 7.22 -0.02 6.14 2.47 -1.23 -4.96 114.94 118.59 1n5b s ASN 97 Ca -0.16 -3.37 0.00 0.00 0.42 0.00 0.00 52.86 49.76 1n5b s ASN 97 Cb 0.02 -2.26 0.02 0.00 -1.45 0.00 0.00 41.25 37.57 1n5b s ASN 97 CO 0.71 -0.43 0.01 -0.22 -3.72 0.00 0.00 177.10 173.44 1n5b s LEU 98 N -0.40 1.44 0.00 3.21 2.96 -1.26 -4.70 118.68 119.94 1n5b s LEU 98 Ca 0.33 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1n5b s LEU 98 Cb -0.08 -0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.50 1n5b s LEU 98 CO -0.06 -0.07 0.04 -0.90 -1.32 0.00 0.00 176.35 174.04 1n5b n ASP 99 N 3.76 2.93 0.12 3.68 5.68 -1.26 -5.00 116.55 126.45 1n5b n ASP 99 Ca -0.22 -2.58 0.20 0.00 -0.50 0.00 0.00 54.79 51.68 1n5b n ASP 99 Cb 0.54 0.22 0.76 0.00 -1.14 0.00 0.00 41.12 41.50 1n5b n ASP 99 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1n5b h ASN 100 N 0.83 0.00 -0.14 -1.12 -0.00 -2.04 -1.75 115.58 111.36 1n5b h ASN 100 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.00 1n5b h ASN 100 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.24 1n5b h ASN 100 CO 0.49 0.00 0.00 0.59 -0.00 0.00 0.00 177.43 178.51 1n5b n ASN 101 N -3.70 2.51 0.00 6.14 4.13 -1.26 -4.80 115.26 118.28 1n5b n ASN 101 Ca 0.06 -1.72 0.00 0.00 1.68 0.00 0.00 54.58 54.60 1n5b n ASN 101 Cb 0.57 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 1n5b n ASN 101 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1n5b n SER 102 N 0.84 0.00 -0.31 6.41 7.64 -0.66 -0.77 113.62 126.77 1n5b n SER 102 Ca 0.11 0.81 0.10 0.00 1.01 0.00 0.00 58.87 60.90 1n5b n SER 102 Cb 0.40 -0.31 0.27 0.00 -1.01 0.00 0.00 64.21 63.56 1n5b n SER 102 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1n5b h LEU 103 N 0.00 0.57 -0.81 -3.43 3.38 -1.87 0.18 115.31 113.33 1n5b h LEU 103 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1n5b h LEU 103 Cb 0.00 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1n5b h LEU 103 CO 0.00 0.20 0.53 0.22 0.09 0.00 0.00 178.44 179.48 1n5b h TYR 104 N 0.62 1.01 -0.17 1.13 5.03 -1.87 -1.55 116.97 121.18 1n5b h TYR 104 Ca 0.52 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.68 1n5b h TYR 104 Cb 0.80 -0.34 -0.00 0.00 1.55 0.00 0.00 36.73 38.74 1n5b h TYR 104 CO -0.07 0.63 -0.61 1.15 -1.32 0.00 0.00 178.16 177.93 1n5b h THR 105 N 1.08 1.33 -0.65 1.81 2.02 0.14 -2.37 112.91 116.26 1n5b h THR 105 Ca 0.30 -1.89 -0.06 0.00 0.77 0.00 0.00 66.41 65.54 1n5b h THR 105 Cb -0.10 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1n5b h THR 105 CO -0.07 0.58 0.19 -0.61 0.37 0.00 0.00 175.52 175.98 1n5b h GLN 106 N 0.42 1.02 -0.59 6.66 4.15 -0.52 0.10 115.11 126.35 1n5b h GLN 106 Ca -0.01 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 1n5b h GLN 106 Cb 1.18 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1n5b h GLN 106 CO 0.12 0.91 0.05 1.25 -1.93 0.00 0.00 178.83 179.22 1n5b h LEU 107 N 0.95 0.99 -0.42 -2.39 5.85 -1.27 -1.17 115.31 117.85 1n5b h LEU 107 Ca 0.21 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1n5b h LEU 107 Cb 0.32 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1n5b h LEU 107 CO -0.00 1.03 0.06 -0.08 -0.34 0.00 0.00 178.44 179.11 1n5b h GLU 108 N 0.91 0.69 -0.74 1.25 4.81 -1.09 -1.94 114.58 118.48 1n5b h GLU 108 Ca 0.17 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1n5b h GLU 108 Cb 0.49 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1n5b h GLU 108 CO 0.02 0.74 0.35 0.52 -0.73 0.00 0.00 179.01 179.90 1n5b h MET 109 N 0.55 1.07 -0.22 1.92 2.86 -0.61 -1.81 114.93 118.68 1n5b h MET 109 Ca 0.13 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1n5b h MET 109 Cb 0.38 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1n5b h MET 109 CO 0.01 0.83 0.06 1.25 1.06 0.00 0.00 176.91 180.12 1n5b h LEU 110 N 1.06 0.34 -0.86 1.22 5.85 -0.95 -1.14 115.31 120.83 1n5b h LEU 110 Ca 0.26 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1n5b h LEU 110 Cb 0.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1n5b h LEU 110 CO -0.03 0.48 -0.35 -0.37 -0.34 0.00 0.00 178.44 177.83 1n5b h VAL 111 N 0.18 1.29 -0.48 1.05 -1.51 -1.23 -0.86 116.25 114.69 1n5b h VAL 111 Ca 0.07 -1.43 -0.11 0.00 -1.23 0.00 0.00 66.70 64.00 1n5b h VAL 111 Cb 0.27 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 1n5b h VAL 111 CO 0.00 0.45 -0.12 1.56 -1.23 0.00 0.00 177.57 178.22 1n5b h GLN 112 N 0.37 0.90 -0.47 5.19 4.20 -1.23 -0.12 115.11 123.94 1n5b h GLN 112 Ca 0.04 -0.32 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 1n5b h GLN 112 Cb 0.78 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1n5b h GLN 112 CO 0.06 0.97 -0.02 0.78 -0.67 0.00 0.00 178.83 179.95 1n5b h GLY 113 N 0.96 0.86 1.37 3.46 0.00 -0.86 -1.42 103.07 107.43 1n5b h GLY 113 Ca 0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1n5b h GLY 113 CO 0.05 0.54 -0.13 0.00 0.00 0.00 0.00 176.54 177.00 1n5b h ALA 114 N 1.24 1.00 -0.55 3.60 0.00 -0.56 -2.59 119.26 121.39 1n5b h ALA 114 Ca 0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1n5b h ALA 114 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1n5b h ALA 114 CO 0.02 0.60 -0.03 0.93 0.00 0.00 0.00 179.25 180.77 1n5b h GLU 115 N 0.67 0.97 0.00 0.00 5.08 -0.63 -2.52 114.58 118.15 1n5b h GLU 115 Ca 0.11 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1n5b h GLU 115 Cb 0.61 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1n5b h GLU 115 CO 0.04 0.97 0.00 0.00 -1.00 0.00 0.00 179.01 179.02 1n5b h ARG 116 N 0.88 0.00 0.00 2.33 3.08 -0.88 -2.01 114.38 117.78 1n5b h ARG 116 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1n5b h ARG 116 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1n5b h ARG 116 CO 0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 1n5b n LEU 117 N -2.80 0.80 -4.38 3.04 4.77 -0.95 -4.59 117.00 112.89 1n5b n LEU 117 Ca -0.01 0.61 -0.40 0.00 -0.03 0.00 0.00 56.01 56.18 1n5b n LEU 117 Cb 0.17 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 1n5b n LEU 117 CO 0.21 -0.30 -0.17 -1.10 -1.33 0.00 0.00 177.39 174.70 1n5b s GLN 118 N -3.17 2.89 -0.36 3.23 -0.21 -0.76 -4.89 119.66 116.39 1n5b s GLN 118 Ca 0.09 -1.03 0.12 0.00 0.02 0.00 0.00 55.36 54.56 1n5b s GLN 118 Cb 0.11 -3.69 0.41 0.00 1.00 0.00 0.00 33.01 30.85 1n5b s GLN 118 CO 0.54 -0.65 1.35 2.41 -2.12 0.00 0.00 175.29 176.82 1n5b n THR 119 N 4.98 0.20 -3.52 -0.19 -1.04 -1.26 -5.01 114.28 108.45 1n5b n THR 119 Ca -0.12 -1.63 -0.10 0.00 -2.04 0.00 0.00 64.05 60.16 1n5b n THR 119 Cb 0.46 0.98 -0.03 0.00 -1.82 0.00 0.00 70.33 69.92 1n5b n THR 119 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1n5b s ARG 127 N -0.47 0.82 0.09 -2.82 3.52 -1.26 -5.10 118.95 113.74 1n5b s ARG 127 Ca 0.19 -0.16 0.08 0.00 -0.13 0.00 0.00 55.73 55.71 1n5b s ARG 127 Cb 0.42 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 34.15 1n5b s ARG 127 CO -0.08 -0.33 -0.22 0.45 -0.81 0.00 0.00 175.30 174.31 1n5b s SER 128 N -2.08 2.66 0.17 -2.12 0.15 -1.26 -5.15 113.70 106.08 1n5b s SER 128 Ca 0.02 -0.66 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 1n5b s SER 128 Cb -0.01 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1n5b s SER 128 CO -0.05 0.10 0.43 0.72 1.20 0.00 0.00 173.24 175.63 1n5b s PHE 129 N -1.07 0.03 -2.00 3.44 -0.12 -1.26 -5.32 117.98 111.68 1n5b s PHE 129 Ca 0.08 -0.38 0.11 0.00 -0.05 0.00 0.00 56.93 56.68 1n5b s PHE 129 Cb -0.10 0.23 0.64 0.00 -0.63 0.00 0.00 43.02 43.16 1n5b s PHE 129 CO 0.04 -0.82 1.08 0.43 -0.05 0.00 0.00 175.22 175.90