#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3b s TYR 3 N 0.00 3.49 -0.30 -1.55 5.04 -1.26 -4.95 117.35 117.82 1n3b s TYR 3 Ca 0.00 1.55 -0.08 0.00 -2.44 0.00 0.00 57.07 56.10 1n3b s TYR 3 Cb 0.00 -3.22 0.00 0.00 0.35 0.00 0.00 41.96 39.10 1n3b s TYR 3 CO 0.00 -0.38 0.11 0.42 -1.34 0.00 0.00 175.55 174.36 1n3b s ILE 4 N 1.86 4.19 -0.28 3.14 1.01 -1.26 -1.04 121.20 128.82 1n3b s ILE 4 Ca 0.50 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 1n3b s ILE 4 Cb -0.20 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1n3b s ILE 4 CO 0.20 0.08 0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1n3b s VAL 5 N 1.54 4.44 -0.03 2.92 1.01 -0.46 -0.91 120.40 128.91 1n3b s VAL 5 Ca 0.03 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1n3b s VAL 5 Cb -0.17 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1n3b s VAL 5 CO 0.04 0.20 0.47 0.00 0.00 0.00 0.00 175.10 175.81 1n3b s ALA 6 N 1.61 3.58 -0.14 5.51 0.00 0.42 -0.45 121.76 132.28 1n3b s ALA 6 Ca 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.85 1n3b s ALA 6 Cb -0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1n3b s ALA 6 CO 0.05 0.27 -0.10 -1.17 0.00 0.00 0.00 175.76 174.80 1n3b s LEU 7 N -0.39 2.83 0.21 0.00 2.96 0.07 0.26 118.68 124.61 1n3b s LEU 7 Ca 0.26 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1n3b s LEU 7 Cb -0.17 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1n3b s LEU 7 CO 0.13 0.15 0.19 0.28 -1.32 0.00 0.00 176.35 175.78 1n3b s THR 8 N 0.46 0.00 0.00 3.68 -1.32 -0.43 -1.01 115.64 117.01 1n3b s THR 8 Ca -0.08 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 1n3b s THR 8 Cb -0.15 -2.45 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1n3b s THR 8 CO 0.04 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1n3b n GLY 9 N -0.29 1.20 3.89 6.08 0.00 -1.26 -0.73 105.19 114.08 1n3b n GLY 9 Ca 0.01 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1n3b n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n3b s GLY 10 N 0.00 1.69 0.23 -0.02 0.00 -1.26 -4.83 107.32 103.13 1n3b s GLY 10 Ca 0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 44.72 43.46 1n3b s GLY 10 CO 0.00 -0.28 1.55 4.51 0.00 0.00 0.00 173.10 178.88 1n3b n ILE 11 N -3.66 0.61 -1.01 0.90 0.00 -1.26 -1.78 119.36 113.15 1n3b n ILE 11 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 62.75 62.71 1n3b n ILE 11 Cb 0.60 -1.71 -0.00 0.00 0.00 0.00 0.00 39.64 38.53 1n3b n ILE 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n3b n GLY 12 N 2.72 0.47 0.06 4.50 0.00 -1.26 -4.62 105.19 107.06 1n3b n GLY 12 Ca 0.13 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.88 1n3b n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n3b n SER 13 N 0.66 0.50 -0.85 1.61 3.41 -0.74 -4.40 113.62 113.82 1n3b n SER 13 Ca -0.00 -0.29 -0.03 0.00 -0.26 0.00 0.00 58.87 58.28 1n3b n SER 13 Cb 0.03 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 1n3b n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n3b n GLY 14 N 1.43 0.72 0.36 5.00 0.00 -1.26 -4.75 105.19 106.69 1n3b n GLY 14 Ca 0.08 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1n3b n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n3b h LYS 15 N -0.32 0.80 -0.79 1.61 1.57 -1.92 -1.34 116.57 116.18 1n3b h LYS 15 Ca -0.07 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1n3b h LYS 15 Cb 1.05 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.13 1n3b h LYS 15 CO 0.07 0.53 0.50 0.77 -0.57 0.00 0.00 179.45 180.75 1n3b h SER 16 N 0.82 0.83 -0.53 0.86 0.02 -1.98 0.26 113.55 113.82 1n3b h SER 16 Ca 0.56 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.52 1n3b h SER 16 Cb 0.80 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1n3b h SER 16 CO -0.35 0.57 0.34 0.74 -1.14 0.00 0.00 176.83 176.99 1n3b h THR 17 N 0.97 1.10 -0.22 -2.27 2.02 -1.63 0.17 112.91 113.06 1n3b h THR 17 Ca 0.31 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 1n3b h THR 17 Cb 0.02 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1n3b h THR 17 CO -0.11 0.12 -0.07 0.58 0.37 0.00 0.00 175.52 176.42 1n3b h VAL 18 N 0.68 1.29 -0.46 3.16 2.07 -1.23 -2.34 116.25 119.42 1n3b h VAL 18 Ca 0.20 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1n3b h VAL 18 Cb -0.04 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1n3b h VAL 18 CO -0.07 0.33 0.26 0.00 0.02 0.00 0.00 177.57 178.11 1n3b h ALA 19 N 0.73 0.58 -0.39 1.67 0.00 -0.69 -1.54 119.26 119.63 1n3b h ALA 19 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1n3b h ALA 19 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1n3b h ALA 19 CO 0.02 -0.06 0.17 -0.91 0.00 0.00 0.00 179.25 178.47 1n3b h ASN 20 N 0.52 0.49 -0.49 0.00 2.35 -0.65 0.15 115.58 117.95 1n3b h ASN 20 Ca 0.19 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 1n3b h ASN 20 Cb 0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1n3b h ASN 20 CO -0.10 0.43 0.00 0.00 -1.65 0.00 0.00 177.43 176.11 1n3b h ALA 21 N 1.65 0.98 -0.22 -0.83 0.00 -0.74 -0.08 119.26 120.02 1n3b h ALA 21 Ca 0.14 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1n3b h ALA 21 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1n3b h ALA 21 CO -0.02 0.62 -0.60 0.74 0.00 0.00 0.00 179.25 180.00 1n3b h PHE 22 N 0.85 0.92 -0.52 0.00 -1.00 -0.42 -2.95 116.94 113.82 1n3b h PHE 22 Ca 0.16 -0.34 0.01 0.00 2.81 0.00 0.00 57.97 60.61 1n3b h PHE 22 Cb 0.50 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 1n3b h PHE 22 CO 0.03 1.14 0.35 0.00 -1.61 0.00 0.00 178.31 178.21 1n3b h ALA 23 N 0.79 1.67 0.00 2.45 0.00 -0.34 -0.16 119.26 123.66 1n3b h ALA 23 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1n3b h ALA 23 Cb 1.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1n3b h ALA 23 CO 0.12 0.30 -0.03 -0.44 0.00 0.00 0.00 179.25 179.20 1n3b h ASP 24 N 0.67 0.00 -0.35 0.00 3.32 -0.84 -1.41 116.42 117.81 1n3b h ASP 24 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1n3b h ASP 24 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1n3b h ASP 24 CO -0.05 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.69 1n3b n LEU 25 N -3.23 2.50 0.00 1.55 4.77 -0.10 -4.91 117.00 117.58 1n3b n LEU 25 Ca -0.01 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1n3b n LEU 25 Cb 0.20 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1n3b n LEU 25 CO 0.25 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1n3b n GLY 26 N 1.29 0.89 3.76 -0.72 0.00 -0.53 -5.07 105.19 104.81 1n3b n GLY 26 Ca 0.17 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1n3b n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n3b s ILE 27 N -2.00 5.13 0.02 -0.61 -1.09 -1.04 -4.70 121.20 116.91 1n3b s ILE 27 Ca 0.00 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 58.99 1n3b s ILE 27 Cb 0.00 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1n3b s ILE 27 CO 0.00 0.43 0.97 0.20 -1.23 0.00 0.00 174.94 175.31 1n3b s ASN 28 N -0.04 7.39 -0.19 3.58 0.01 -1.26 -4.01 114.94 120.42 1n3b s ASN 28 Ca 0.24 1.68 -0.07 0.00 -0.71 0.00 0.00 52.86 54.00 1n3b s ASN 28 Cb -0.15 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 1n3b s ASN 28 CO 0.11 -0.22 0.06 -0.69 -1.51 0.00 0.00 177.10 174.85 1n3b s VAL 29 N 0.81 4.75 -0.27 1.60 1.01 -1.26 -1.92 120.40 125.12 1n3b s VAL 29 Ca 0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 1n3b s VAL 29 Cb -0.21 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1n3b s VAL 29 CO 0.28 0.45 -0.04 -0.63 0.00 0.00 0.00 175.10 175.16 1n3b s ILE 30 N 0.47 2.88 -0.30 2.22 -1.09 0.50 -4.98 121.20 120.91 1n3b s ILE 30 Ca 0.03 -1.19 -0.12 0.00 -2.23 0.00 0.00 60.65 57.14 1n3b s ILE 30 Cb -0.13 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 1n3b s ILE 30 CO 0.01 0.07 0.23 -0.62 -1.23 0.00 0.00 174.94 173.40 1n3b s ASP 31 N 1.29 6.06 0.29 3.58 -1.08 -1.26 -0.69 116.67 124.86 1n3b s ASP 31 Ca -0.02 -0.11 0.04 0.00 -0.52 0.00 0.00 52.55 51.94 1n3b s ASP 31 Cb -0.18 -2.14 0.67 0.00 -1.46 0.00 0.00 42.92 39.81 1n3b s ASP 31 CO -0.03 -0.13 1.78 0.00 0.52 0.00 0.00 175.17 177.31 1n3b h ALA 32 N 8.39 1.57 -0.15 3.66 0.00 -1.42 -1.49 119.26 129.82 1n3b h ALA 32 Ca -0.33 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1n3b h ALA 32 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1n3b h ALA 32 CO 0.59 -0.00 -0.37 -0.44 0.00 0.00 0.00 179.25 179.03 1n3b h ASP 33 N 0.78 0.32 -0.21 0.00 3.32 -1.94 -2.17 116.42 116.52 1n3b h ASP 33 Ca 0.55 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.36 1n3b h ASP 33 Cb 0.78 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1n3b h ASP 33 CO -0.36 0.67 -0.30 0.40 -1.72 0.00 0.00 179.24 177.93 1n3b h ILE 34 N 0.26 1.33 -0.73 0.35 1.08 -1.72 -2.87 117.51 115.22 1n3b h ILE 34 Ca 0.03 -1.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.04 1n3b h ILE 34 Cb 0.78 1.81 -0.05 0.00 -3.07 0.00 0.00 36.82 36.28 1n3b h ILE 34 CO 0.06 0.46 0.45 0.40 -0.69 0.00 0.00 178.15 178.83 1n3b h ILE 35 N 0.25 1.06 -0.25 -0.67 1.08 -1.19 0.11 117.51 117.89 1n3b h ILE 35 Ca 0.02 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1n3b h ILE 35 Cb 0.88 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1n3b h ILE 35 CO 0.07 0.15 0.12 0.00 -0.69 0.00 0.00 178.15 177.81 1n3b h ALA 36 N 1.33 1.75 0.11 1.87 0.00 -1.34 -1.95 119.26 121.02 1n3b h ALA 36 Ca 0.31 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.87 1n3b h ALA 36 Cb 0.09 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1n3b h ALA 36 CO -0.14 0.21 -1.21 0.00 0.00 0.00 0.00 179.25 178.11 1n3b h ARG 37 N 0.35 0.58 -0.19 0.00 3.08 -0.99 -3.30 114.38 113.91 1n3b h ARG 37 Ca 0.09 -0.77 -0.02 0.00 0.07 0.00 0.00 59.98 59.36 1n3b h ARG 37 Cb 0.04 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1n3b h ARG 37 CO -0.01 1.34 0.03 1.96 -1.07 0.00 0.00 179.97 182.21 1n3b h GLN 38 N 0.26 0.26 0.00 0.04 4.20 -0.12 -2.80 115.11 116.96 1n3b h GLN 38 Ca -0.17 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1n3b h GLN 38 Cb 1.89 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.62 1n3b h GLN 38 CO 0.23 0.27 0.00 1.33 -0.67 0.00 0.00 178.83 179.99 1n3b n VAL 39 N -4.41 0.62 -1.10 -0.54 0.24 -0.84 -2.78 118.33 109.53 1n3b n VAL 39 Ca -0.00 0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.54 1n3b n VAL 39 Cb 0.16 -0.83 0.19 0.00 -1.47 0.00 0.00 33.84 31.88 1n3b n VAL 39 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1n3b n VAL 40 N -1.45 2.07 -1.82 3.34 0.24 -1.06 -4.18 118.33 115.47 1n3b n VAL 40 Ca 0.06 -2.23 -0.31 0.00 -2.04 0.00 0.00 64.34 59.82 1n3b n VAL 40 Cb 0.21 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1n3b n VAL 40 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1n3b s GLU 41 N -2.90 3.32 0.15 7.34 2.02 -1.12 -4.54 118.70 122.96 1n3b s GLU 41 Ca 0.36 0.91 -0.34 0.00 0.02 0.00 0.00 54.97 55.92 1n3b s GLU 41 Cb 0.31 -2.04 -0.15 0.00 0.10 0.00 0.00 34.13 32.34 1n3b s GLU 41 CO 0.04 -0.79 1.33 -2.30 0.02 0.00 0.00 175.26 173.56 1n3b n PRO 42 N -2.70 1.42 0.00 0.39 -0.02 -1.26 -0.75 135.00 132.08 1n3b n PRO 42 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1n3b n PRO 42 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1n3b n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n3b n GLY 43 N 2.44 3.00 3.77 -1.23 0.00 -1.26 -5.05 105.19 106.85 1n3b n GLY 43 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1n3b n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b s ALA 44 N -2.87 3.36 0.29 4.61 0.00 0.07 -4.93 121.76 122.28 1n3b s ALA 44 Ca 0.00 1.10 -0.00 0.00 0.00 0.00 0.00 51.96 53.06 1n3b s ALA 44 Cb 0.00 -3.42 0.49 0.00 0.00 0.00 0.00 23.12 20.19 1n3b s ALA 44 CO 0.00 -0.52 1.89 -1.35 0.00 0.00 0.00 175.76 175.77 1n3b h PRO 45 N 3.20 1.05 -0.71 0.00 0.11 -1.88 -2.34 132.00 131.43 1n3b h PRO 45 Ca -0.48 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 65.65 1n3b h PRO 45 Cb 1.23 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1n3b h PRO 45 CO 0.65 0.69 0.47 0.00 -0.21 0.00 0.00 178.00 179.60 1n3b h ALA 46 N 1.49 1.81 -0.21 -0.75 0.00 -1.92 -2.33 119.26 117.35 1n3b h ALA 46 Ca 0.43 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1n3b h ALA 46 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n3b h ALA 46 CO -0.18 0.05 0.05 1.25 0.00 0.00 0.00 179.25 180.43 1n3b h LEU 47 N 0.65 0.32 -0.84 0.00 5.85 -1.64 0.33 115.31 119.99 1n3b h LEU 47 Ca 0.32 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1n3b h LEU 47 Cb 0.40 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1n3b h LEU 47 CO -0.11 0.48 0.17 0.45 -0.34 0.00 0.00 178.44 179.09 1n3b h HIS 48 N 0.15 1.08 -0.74 1.25 3.86 -1.55 -0.94 115.15 118.27 1n3b h HIS 48 Ca 0.07 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 1n3b h HIS 48 Cb 0.28 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1n3b h HIS 48 CO 0.01 0.88 0.25 0.00 0.86 0.00 0.00 177.93 179.93 1n3b h ALA 49 N 1.19 1.04 -0.33 2.45 0.00 -1.21 -0.78 119.26 121.63 1n3b h ALA 49 Ca 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1n3b h ALA 49 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n3b h ALA 49 CO -0.00 0.65 0.01 0.82 0.00 0.00 0.00 179.25 180.73 1n3b h ILE 50 N 1.09 1.25 -0.57 0.00 2.04 -0.43 -1.02 117.51 119.87 1n3b h ILE 50 Ca 0.24 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 1n3b h ILE 50 Cb 0.28 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1n3b h ILE 50 CO -0.01 0.31 0.13 0.00 0.00 0.00 0.00 178.15 178.58 1n3b h ALA 51 N 0.86 0.76 -0.16 1.87 0.00 -0.96 0.60 119.26 122.22 1n3b h ALA 51 Ca 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1n3b h ALA 51 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n3b h ALA 51 CO 0.02 0.47 -0.10 0.22 0.00 0.00 0.00 179.25 179.85 1n3b h ASP 52 N 0.83 0.23 0.00 0.00 1.82 -1.02 0.58 116.42 118.85 1n3b h ASP 52 Ca 0.18 -0.04 -0.14 0.00 -0.39 0.00 0.00 57.03 56.64 1n3b h ASP 52 Cb 0.36 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 1n3b h ASP 52 CO 0.00 0.36 -0.76 -0.74 -1.61 0.00 0.00 179.24 176.49 1n3b h HIS 53 N 0.24 0.00 0.00 0.28 2.76 -0.87 -3.40 115.15 114.16 1n3b h HIS 53 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1n3b h HIS 53 Cb 0.33 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1n3b h HIS 53 CO 0.01 1.25 -0.84 1.19 -1.30 0.00 0.00 177.93 178.23 1n3b n PHE 54 N -4.51 0.12 0.00 5.26 3.01 0.17 -5.08 117.46 116.45 1n3b n PHE 54 Ca -0.23 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1n3b n PHE 54 Cb 0.59 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1n3b n PHE 54 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1n3b n GLY 55 N 1.44 2.40 0.44 1.37 0.00 0.20 -4.78 105.19 106.27 1n3b n GLY 55 Ca 0.04 -1.84 0.26 0.00 0.00 0.00 0.00 46.02 44.47 1n3b n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b h ALA 56 N 0.00 2.70 0.00 4.61 0.00 -1.92 -3.40 119.26 121.25 1n3b h ALA 56 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1n3b h ALA 56 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n3b h ALA 56 CO 0.00 -0.97 1.58 0.09 0.00 0.00 0.00 179.25 179.95 1n3b n ASN 57 N -4.22 2.55 0.00 0.00 3.02 -1.26 -4.74 115.26 110.60 1n3b n ASN 57 Ca 0.16 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1n3b n ASN 57 Cb 0.86 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1n3b n ASN 57 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1n3b n ILE 59 N 4.22 0.00 -1.56 2.41 2.08 -1.26 -4.88 119.36 120.36 1n3b n ILE 59 Ca 0.23 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.24 1n3b n ILE 59 Cb 0.11 0.00 0.16 0.00 -0.75 0.00 0.00 39.64 39.16 1n3b n ILE 59 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n3b s ALA 60 N 0.00 1.73 0.40 -1.39 0.00 0.91 -4.88 121.76 118.54 1n3b s ALA 60 Ca 0.00 -0.73 0.12 0.00 0.00 0.00 0.00 51.96 51.35 1n3b s ALA 60 Cb 0.00 -2.96 0.94 0.00 0.00 0.00 0.00 23.12 21.11 1n3b s ALA 60 CO 0.00 -2.48 1.93 0.00 0.00 0.00 0.00 175.76 175.21 1n3b h ALA 61 N -1.67 1.96 -0.32 0.00 0.00 -1.98 -0.66 119.26 116.58 1n3b h ALA 61 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n3b h ALA 61 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n3b h ALA 61 CO 0.53 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 1n3b n ASP 62 N -4.49 1.99 0.00 0.00 5.68 -1.26 -4.90 116.55 113.57 1n3b n ASP 62 Ca 0.13 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1n3b n ASP 62 Cb 0.43 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1n3b n ASP 62 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n3b n GLY 63 N 0.92 1.10 3.92 6.12 0.00 -0.26 -5.04 105.19 111.95 1n3b n GLY 63 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1n3b n GLY 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n3b s THR 64 N -3.30 4.70 0.22 2.61 -4.23 -1.26 -4.69 115.64 109.70 1n3b s THR 64 Ca 0.00 -0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.14 1n3b s THR 64 Cb 0.00 -3.77 -0.09 0.00 1.34 0.00 0.00 72.50 69.98 1n3b s THR 64 CO 0.00 -0.67 1.33 -0.22 -0.54 0.00 0.00 174.62 174.51 1n3b s LEU 65 N -4.65 4.42 -1.03 4.79 2.96 -1.26 -0.06 118.68 123.85 1n3b s LEU 65 Ca 0.46 2.48 -0.17 0.00 -0.22 0.00 0.00 54.13 56.68 1n3b s LEU 65 Cb -0.10 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.12 1n3b s LEU 65 CO 0.42 -0.55 1.22 -1.10 -1.32 0.00 0.00 176.35 175.02 1n3b s GLN 66 N -0.37 3.78 0.17 1.98 -0.21 -1.26 -4.80 119.66 118.95 1n3b s GLN 66 Ca 0.56 -2.11 -0.15 0.00 0.02 0.00 0.00 55.36 53.69 1n3b s GLN 66 Cb -0.38 -4.94 0.08 0.00 1.00 0.00 0.00 33.01 28.77 1n3b s GLN 66 CO 0.41 -1.74 1.80 0.00 -2.12 0.00 0.00 175.29 173.63 1n3b h ARG 67 N 8.16 0.50 -0.54 2.91 3.08 -1.98 -0.34 114.38 126.17 1n3b h ARG 67 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1n3b h ARG 67 Cb 0.97 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1n3b h ARG 67 CO 1.14 0.33 0.34 -0.09 -1.07 0.00 0.00 179.97 180.62 1n3b h ARG 68 N 0.51 0.72 0.09 0.04 2.43 -1.98 0.52 114.38 116.71 1n3b h ARG 68 Ca 0.19 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1n3b h ARG 68 Cb 0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1n3b h ARG 68 CO -0.10 0.50 -0.04 0.00 -1.51 0.00 0.00 179.97 178.82 1n3b h ALA 69 N 1.18 -0.11 -0.87 2.80 0.00 -1.88 -1.35 119.26 119.02 1n3b h ALA 69 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1n3b h ALA 69 Cb -0.05 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1n3b h ALA 69 CO -0.04 -0.53 0.46 1.25 0.00 0.00 0.00 179.25 180.39 1n3b h LEU 70 N -0.19 1.11 -0.75 0.00 5.85 -0.72 0.13 115.31 120.73 1n3b h LEU 70 Ca -0.01 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1n3b h LEU 70 Cb 0.16 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1n3b h LEU 70 CO 0.02 0.90 0.50 -0.09 -0.34 0.00 0.00 178.44 179.43 1n3b h ARG 71 N 1.23 0.99 0.00 1.25 2.43 0.26 -0.85 114.38 119.69 1n3b h ARG 71 Ca 0.31 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1n3b h ARG 71 Cb 0.06 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1n3b h ARG 71 CO -0.05 0.66 -0.53 0.93 -1.51 0.00 0.00 179.97 179.47 1n3b h GLU 72 N 1.02 0.00 0.00 0.20 5.08 -0.85 -3.08 114.58 116.94 1n3b h GLU 72 Ca 0.28 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 1n3b h GLU 72 Cb -0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1n3b h GLU 72 CO -0.06 0.53 -0.53 -0.09 -1.00 0.00 0.00 179.01 177.86 1n3b h ARG 73 N 0.00 0.00 -0.06 2.33 9.65 -0.09 -2.95 114.38 123.26 1n3b h ARG 73 Ca -0.01 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 1n3b h ARG 73 Cb 1.34 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.93 1n3b h ARG 73 CO 0.07 0.53 -0.37 0.82 2.80 0.00 0.00 179.97 183.82 1n3b h ILE 74 N 0.00 1.43 -0.81 1.20 2.04 -1.16 -3.11 117.51 117.11 1n3b h ILE 74 Ca -0.01 -1.81 0.17 0.00 1.00 0.00 0.00 64.86 64.22 1n3b h ILE 74 Cb 1.07 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 39.49 1n3b h ILE 74 CO 0.07 0.52 0.54 0.15 0.00 0.00 0.00 178.15 179.43 1n3b h PHE 75 N -0.16 0.46 -0.30 1.37 3.57 -1.52 0.30 116.94 120.66 1n3b h PHE 75 Ca -0.03 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1n3b h PHE 75 Cb 1.04 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.56 1n3b h PHE 75 CO 0.14 0.15 0.16 0.00 -2.23 0.00 0.00 178.31 176.53 1n3b n ALA 76 N -2.53 3.39 0.00 2.41 0.00 -1.12 -4.32 120.51 118.33 1n3b n ALA 76 Ca 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1n3b n ALA 76 Cb 0.62 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1n3b n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n3b n ASN 77 N 0.02 0.00 -0.15 0.00 2.85 0.10 -5.03 115.26 113.04 1n3b n ASN 77 Ca 0.17 0.00 0.28 0.00 -0.11 0.00 0.00 54.58 54.93 1n3b n ASN 77 Cb 0.81 0.00 0.65 0.00 1.24 0.00 0.00 39.78 42.48 1n3b n ASN 77 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1n3b h PRO 78 N 0.00 0.00 -0.28 1.20 0.11 -1.65 0.91 132.00 132.29 1n3b h PRO 78 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1n3b h PRO 78 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1n3b h PRO 78 CO 0.00 0.00 0.11 1.49 -0.21 0.00 0.00 178.00 179.39 1n3b h GLU 79 N 0.00 0.39 0.00 1.05 4.57 -1.96 -0.42 114.58 118.21 1n3b h GLU 79 Ca 0.42 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.48 1n3b h GLU 79 Cb 2.14 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.64 1n3b h GLU 79 CO -0.00 0.33 -0.37 0.93 -1.18 0.00 0.00 179.01 178.72 1n3b h GLU 80 N 0.39 0.00 -0.66 1.92 4.39 0.56 -2.61 114.58 118.57 1n3b h GLU 80 Ca 0.10 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1n3b h GLU 80 Cb 0.09 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 1n3b h GLU 80 CO -0.01 0.37 0.39 -0.22 -1.16 0.00 0.00 179.01 178.38 1n3b h LYS 81 N 0.00 0.72 -0.70 2.33 3.64 -1.08 -1.40 116.57 120.08 1n3b h LYS 81 Ca -0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 1n3b h LYS 81 Cb 0.68 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1n3b h LYS 81 CO 0.05 0.48 0.25 -0.91 -2.27 0.00 0.00 179.45 177.05 1n3b h ASN 82 N 0.74 0.99 -0.54 4.20 2.35 -1.44 0.03 115.58 121.91 1n3b h ASN 82 Ca 0.28 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1n3b h ASN 82 Cb 0.10 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1n3b h ASN 82 CO -0.14 0.91 0.18 -0.25 -1.65 0.00 0.00 177.43 176.48 1n3b h TRP 83 N 1.01 0.85 0.01 1.19 7.01 -1.38 -0.12 115.95 124.52 1n3b h TRP 83 Ca 0.23 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 1n3b h TRP 83 Cb 0.25 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1n3b h TRP 83 CO 0.02 0.72 -0.00 1.25 -2.79 0.00 0.00 178.44 177.64 1n3b h LEU 84 N 0.74 -0.01 -1.00 0.65 5.85 -1.00 -1.17 115.31 119.37 1n3b h LEU 84 Ca 0.17 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1n3b h LEU 84 Cb 0.26 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1n3b h LEU 84 CO -0.01 0.10 0.63 0.78 -0.34 0.00 0.00 178.44 179.60 1n3b h ASN 85 N -0.11 1.14 0.40 1.25 -0.26 -0.87 0.94 115.58 118.07 1n3b h ASN 85 Ca -0.00 -0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.63 1n3b h ASN 85 Cb 0.11 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.08 1n3b h ASN 85 CO 0.00 0.84 -0.30 0.00 -1.06 0.00 0.00 177.43 176.92 1n3b h ALA 86 N 1.36 1.36 0.07 -0.83 0.00 -0.82 0.79 119.26 121.18 1n3b h ALA 86 Ca 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n3b h ALA 86 Cb -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1n3b h ALA 86 CO -0.07 0.37 -0.03 1.25 0.00 0.00 0.00 179.25 180.77 1n3b h LEU 87 N 0.00 -0.07 -0.62 0.00 5.85 0.16 -3.37 115.31 117.25 1n3b h LEU 87 Ca -0.00 -0.55 -0.12 0.00 0.84 0.00 0.00 57.88 58.04 1n3b h LEU 87 Cb 0.58 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1n3b h LEU 87 CO 0.04 0.59 -0.58 -0.07 -0.34 0.00 0.00 178.44 178.08 1n3b h LEU 88 N -0.82 0.00 -0.26 2.25 3.38 -0.76 -3.37 115.31 115.72 1n3b h LEU 88 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1n3b h LEU 88 Cb 0.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1n3b h LEU 88 CO 0.01 0.58 -0.39 -0.74 0.09 0.00 0.00 178.44 177.99 1n3b h HIS 89 N 0.00 -1.11 -0.95 1.13 2.76 -1.01 0.12 115.15 116.10 1n3b h HIS 89 Ca -0.01 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1n3b h HIS 89 Cb 1.16 0.52 -0.05 0.00 1.55 0.00 0.00 27.41 30.60 1n3b h HIS 89 CO 0.00 -0.44 0.59 -1.35 -1.30 0.00 0.00 177.93 175.43 1n3b h PRO 90 N -0.38 1.27 -0.39 5.26 0.11 -1.79 -1.28 132.00 134.80 1n3b h PRO 90 Ca 0.12 -0.10 -0.16 0.00 0.11 0.00 0.00 66.00 65.97 1n3b h PRO 90 Cb 0.58 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1n3b h PRO 90 CO -0.47 0.88 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.75 1n3b h LEU 91 N 1.30 1.00 -0.50 2.35 3.38 -1.56 -1.04 115.31 120.24 1n3b h LEU 91 Ca 0.34 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1n3b h LEU 91 Cb -0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1n3b h LEU 91 CO -0.07 1.26 -0.11 0.40 0.09 0.00 0.00 178.44 180.01 1n3b h ILE 92 N 0.76 1.27 -0.35 1.22 2.04 -0.60 0.04 117.51 121.90 1n3b h ILE 92 Ca 0.06 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1n3b h ILE 92 Cb 0.97 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1n3b h ILE 92 CO 0.09 0.44 0.19 -0.61 0.00 0.00 0.00 178.15 178.26 1n3b h GLN 93 N 0.81 0.49 -0.45 2.37 -0.00 -1.12 0.65 115.11 117.86 1n3b h GLN 93 Ca 0.13 -0.06 -0.14 0.00 -0.00 0.00 0.00 58.65 58.58 1n3b h GLN 93 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.05 1n3b h GLN 93 CO 0.05 0.42 -0.26 1.96 0.00 0.00 0.00 178.83 181.00 1n3b h GLN 94 N 0.43 0.96 -0.26 1.69 1.08 -0.98 -1.74 115.11 116.30 1n3b h GLN 94 Ca 0.12 -0.43 -0.14 0.00 -1.45 0.00 0.00 58.65 56.75 1n3b h GLN 94 Cb 0.07 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1n3b h GLN 94 CO -0.02 1.10 -0.40 1.49 -0.95 0.00 0.00 178.83 180.05 1n3b h GLU 95 N 0.82 0.62 -0.34 1.46 4.57 -0.87 -0.96 114.58 119.88 1n3b h GLU 95 Ca 0.10 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 1n3b h GLU 95 Cb 0.83 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1n3b h GLU 95 CO 0.07 0.92 0.05 1.15 -1.18 0.00 0.00 179.01 180.01 1n3b h THR 96 N 0.51 1.24 -0.83 0.32 2.02 -0.76 -1.20 112.91 114.21 1n3b h THR 96 Ca 0.04 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1n3b h THR 96 Cb 0.92 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 1n3b h THR 96 CO 0.08 0.29 0.48 -0.61 0.37 0.00 0.00 175.52 176.13 1n3b h GLN 97 N 0.41 1.14 -0.36 6.66 4.15 -1.18 -1.03 115.11 124.90 1n3b h GLN 97 Ca 0.10 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1n3b h GLN 97 Cb 0.37 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1n3b h GLN 97 CO 0.01 0.82 0.21 1.25 -1.93 0.00 0.00 178.83 179.19 1n3b h HIS 98 N 1.15 0.49 -0.12 3.99 2.76 -0.90 -1.24 115.15 121.28 1n3b h HIS 98 Ca 0.30 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.35 1n3b h HIS 98 Cb -0.01 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 1n3b h HIS 98 CO 0.00 0.37 -0.41 1.96 -1.30 0.00 0.00 177.93 178.54 1n3b h GLN 99 N 0.47 0.26 -0.13 5.26 4.20 -0.89 -1.69 115.11 122.59 1n3b h GLN 99 Ca 0.13 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1n3b h GLN 99 Cb 0.03 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1n3b h GLN 99 CO -0.02 0.63 -0.02 0.82 -0.67 0.00 0.00 178.83 179.57 1n3b h ILE 100 N 0.22 1.28 -0.47 2.54 2.04 -0.95 -2.12 117.51 120.04 1n3b h ILE 100 Ca 0.02 -0.91 0.04 0.00 1.00 0.00 0.00 64.86 65.01 1n3b h ILE 100 Cb 0.82 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1n3b h ILE 100 CO 0.06 0.27 0.31 -0.61 0.00 0.00 0.00 178.15 178.18 1n3b h GLN 101 N -0.05 0.45 0.00 2.37 -0.00 -1.08 -2.06 115.11 114.73 1n3b h GLN 101 Ca 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1n3b h GLN 101 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.80 1n3b h GLN 101 CO 0.01 0.29 0.00 1.96 0.00 0.00 0.00 178.83 181.09 1n3b h GLN 102 N 0.46 0.00 -6.67 1.69 1.08 -1.02 -3.45 115.11 107.20 1n3b h GLN 102 Ca 0.20 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.87 1n3b h GLN 102 Cb 0.20 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1n3b h GLN 102 CO -0.05 0.00 0.61 0.00 -0.95 0.00 0.00 178.83 178.44 1n3b s ALA 103 N -3.22 3.48 -2.02 3.87 0.00 -0.78 -4.93 121.76 118.17 1n3b s ALA 103 Ca 0.08 1.04 0.18 0.00 0.00 0.00 0.00 51.96 53.26 1n3b s ALA 103 Cb 0.08 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.83 1n3b s ALA 103 CO 0.61 -0.47 1.01 0.25 0.00 0.00 0.00 175.76 177.17 1n3b n THR 104 N 2.59 0.00 -1.60 0.00 -2.24 -1.26 -5.00 114.28 106.77 1n3b n THR 104 Ca 0.05 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.09 1n3b n THR 104 Cb 0.44 1.31 0.07 0.00 -2.10 0.00 0.00 70.33 70.04 1n3b n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3b s SER 105 N -1.81 4.72 0.40 3.42 1.04 -1.26 -4.89 113.70 115.32 1n3b s SER 105 Ca 0.19 2.12 0.22 0.00 0.48 0.00 0.00 55.95 58.96 1n3b s SER 105 Cb 0.15 -2.56 1.23 0.00 0.10 0.00 0.00 66.02 64.94 1n3b s SER 105 CO 0.34 -1.90 1.68 -0.65 0.98 0.00 0.00 173.24 173.70 1n3b h PRO 106 N -0.17 0.24 -3.66 4.02 0.11 -1.94 -3.42 132.00 127.18 1n3b h PRO 106 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1n3b h PRO 106 Cb 1.26 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1n3b h PRO 106 CO 0.52 0.16 -0.15 1.52 -0.21 0.00 0.00 178.00 179.84 1n3b s TYR 107 N -5.45 0.29 0.16 0.65 -0.85 -1.26 -4.49 117.35 106.39 1n3b s TYR 107 Ca -0.09 -0.64 0.11 0.00 -0.52 0.00 0.00 57.07 55.93 1n3b s TYR 107 Cb 0.28 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 1n3b s TYR 107 CO 0.80 -0.90 -0.24 0.14 -1.52 0.00 0.00 175.55 173.83 1n3b s VAL 108 N -3.98 2.40 -0.28 -3.49 -7.23 -0.21 -4.38 120.40 103.24 1n3b s VAL 108 Ca 0.19 -1.85 -0.08 0.00 -1.81 0.00 0.00 61.98 58.43 1n3b s VAL 108 Cb 0.00 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1n3b s VAL 108 CO 0.04 -0.01 0.09 -0.22 -0.31 0.00 0.00 175.10 174.70 1n3b s LEU 109 N -2.37 3.69 -0.40 1.32 2.96 -0.81 -1.35 118.68 121.73 1n3b s LEU 109 Ca 0.18 -0.42 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 1n3b s LEU 109 Cb -0.09 -1.93 0.05 0.00 0.50 0.00 0.00 46.19 44.72 1n3b s LEU 109 CO 0.08 -0.12 0.24 0.86 -1.32 0.00 0.00 176.35 176.10 1n3b s TRP 110 N 1.58 3.27 -0.30 5.38 -0.00 0.40 -0.37 118.94 128.91 1n3b s TRP 110 Ca 0.05 -1.15 -0.23 0.00 -0.00 0.00 0.00 56.10 54.77 1n3b s TRP 110 Cb -0.16 -2.68 -0.00 0.00 -0.00 0.00 0.00 33.47 30.63 1n3b s TRP 110 CO 0.04 -0.73 0.78 0.08 -0.00 0.00 0.00 176.95 177.11 1n3b s VAL 111 N 1.52 4.81 -0.38 5.86 1.01 0.14 -0.75 120.40 132.60 1n3b s VAL 111 Ca 0.02 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.21 1n3b s VAL 111 Cb -0.21 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 32.17 1n3b s VAL 111 CO 0.05 -0.22 0.19 -0.69 0.00 0.00 0.00 175.10 174.43 1n3b s VAL 112 N 2.91 1.00 0.31 2.92 1.01 -0.18 -0.95 120.40 127.42 1n3b s VAL 112 Ca 0.32 -2.01 0.08 0.00 0.00 0.00 0.00 61.98 60.37 1n3b s VAL 112 Cb -0.14 -1.72 0.30 0.00 0.00 0.00 0.00 36.38 34.82 1n3b s VAL 112 CO 0.12 -0.84 1.73 -0.65 0.00 0.00 0.00 175.10 175.46 1n3b h PRO 113 N 7.24 0.54 -0.93 2.72 0.11 -1.88 -1.27 132.00 138.52 1n3b h PRO 113 Ca -0.04 -0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.65 1n3b h PRO 113 Cb 0.96 -0.12 -0.23 0.00 0.11 0.00 0.00 31.00 31.72 1n3b h PRO 113 CO 0.44 0.36 0.49 1.28 -0.21 0.00 0.00 178.00 180.36 1n3b n LEU 114 N -4.91 6.19 -0.12 2.35 4.77 -1.26 -4.56 117.00 119.45 1n3b n LEU 114 Ca 0.25 -3.28 -0.05 0.00 -0.03 0.00 0.00 56.01 52.91 1n3b n LEU 114 Cb 0.71 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1n3b n LEU 114 CO 0.16 0.92 0.72 0.25 -1.33 0.00 0.00 177.39 178.11 1n3b h LEU 115 N 1.45 -0.70 -0.05 2.23 5.85 -1.59 -1.11 115.31 121.40 1n3b h LEU 115 Ca 0.48 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 59.29 1n3b h LEU 115 Cb 2.54 0.37 0.00 0.00 0.37 0.00 0.00 40.66 43.95 1n3b h LEU 115 CO 0.90 -0.24 -0.23 0.58 -0.34 0.00 0.00 178.44 179.12 1n3b h VAL 116 N -0.13 1.45 -0.72 1.05 2.07 -1.86 0.77 116.25 118.89 1n3b h VAL 116 Ca 0.20 -1.67 0.11 0.00 0.82 0.00 0.00 66.70 66.16 1n3b h VAL 116 Cb 0.44 2.40 -0.08 0.00 -1.52 0.00 0.00 31.29 32.53 1n3b h VAL 116 CO -0.49 0.47 0.32 -0.33 0.02 0.00 0.00 177.57 177.56 1n3b h GLU 117 N -0.30 0.51 -0.72 1.57 3.07 -1.86 -2.32 114.58 114.53 1n3b h GLU 117 Ca -0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1n3b h GLU 117 Cb 0.88 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1n3b h GLU 117 CO 0.05 0.34 0.00 0.09 -1.40 0.00 0.00 179.01 178.08 1n3b n ASN 118 N -4.93 4.22 -3.35 1.42 3.02 -0.43 -4.96 115.26 110.25 1n3b n ASN 118 Ca 0.12 -2.13 -0.24 0.00 -0.03 0.00 0.00 54.58 52.30 1n3b n ASN 118 Cb 0.33 -0.52 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1n3b n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1n3b n SER 119 N 1.53 -5.06 0.00 6.41 7.64 -0.87 -4.86 113.62 118.40 1n3b n SER 119 Ca 0.25 -0.43 0.13 0.00 1.01 0.00 0.00 58.87 59.83 1n3b n SER 119 Cb 0.71 -4.10 0.63 0.00 -1.01 0.00 0.00 64.21 60.44 1n3b n SER 119 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1n3b n LEU 120 N -4.13 0.00 0.32 -3.43 4.77 0.21 -2.81 117.00 111.94 1n3b n LEU 120 Ca -0.04 0.37 0.21 0.00 -0.03 0.00 0.00 56.01 56.52 1n3b n LEU 120 Cb 0.57 -0.37 1.10 0.00 -2.33 0.00 0.00 43.42 42.38 1n3b n LEU 120 CO 0.55 -0.04 1.15 0.10 -1.33 0.00 0.00 177.39 177.82 1n3b h TYR 121 N 0.00 0.00 0.00 -1.77 -0.00 -1.89 0.34 116.97 113.65 1n3b h TYR 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1n3b h TYR 121 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.07 1n3b h TYR 121 CO 0.00 0.01 0.00 0.87 -0.00 0.00 0.00 178.16 179.04 1n3b h LYS 122 N 0.00 0.00 -0.19 0.10 1.57 -1.88 -2.23 116.57 113.94 1n3b h LYS 122 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n3b h LYS 122 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1n3b h LYS 122 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1n3b n LYS 123 N -2.48 2.12 -4.05 3.15 4.76 0.11 -4.97 118.16 116.80 1n3b n LYS 123 Ca 0.00 -1.95 -0.29 0.00 -2.87 0.00 0.00 58.31 53.20 1n3b n LYS 123 Cb 0.17 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 1n3b n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n3b s ALA 124 N -1.53 3.57 -0.14 7.82 0.00 -0.84 -4.98 121.76 125.66 1n3b s ALA 124 Ca 0.29 -1.06 0.17 0.00 0.00 0.00 0.00 51.96 51.37 1n3b s ALA 124 Cb 0.19 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.82 1n3b s ALA 124 CO 0.27 0.69 1.03 -0.91 0.00 0.00 0.00 175.76 176.84 1n3b h ASN 125 N 3.08 0.00 -4.10 0.00 2.35 -1.32 -3.47 115.58 112.13 1n3b h ASN 125 Ca -0.47 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.15 1n3b h ASN 125 Cb 1.17 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.31 1n3b h ASN 125 CO 0.65 0.50 -0.29 -0.60 -1.65 0.00 0.00 177.43 176.04 1n3b s ARG 126 N -2.98 0.47 -0.17 0.81 6.06 -0.94 -5.02 118.95 117.19 1n3b s ARG 126 Ca -0.01 0.36 0.01 0.00 -2.50 0.00 0.00 55.73 53.59 1n3b s ARG 126 Cb 0.08 0.22 0.02 0.00 0.06 0.00 0.00 34.95 35.33 1n3b s ARG 126 CO 0.79 -0.08 -0.21 0.08 -2.50 0.00 0.00 175.30 173.39 1n3b s VAL 127 N -0.13 2.08 -0.15 7.11 1.01 -1.26 -0.44 120.40 128.62 1n3b s VAL 127 Ca -0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1n3b s VAL 127 Cb -0.03 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1n3b s VAL 127 CO 0.01 0.54 -0.09 -0.22 0.00 0.00 0.00 175.10 175.35 1n3b s LEU 128 N 1.13 2.91 -0.17 3.92 2.96 0.14 -1.02 118.68 128.55 1n3b s LEU 128 Ca 0.01 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1n3b s LEU 128 Cb -0.14 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1n3b s LEU 128 CO -0.09 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.31 1n3b s VAL 129 N 0.49 3.29 -0.44 1.68 1.01 -0.45 -1.31 120.40 124.66 1n3b s VAL 129 Ca -0.07 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 1n3b s VAL 129 Cb -0.15 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1n3b s VAL 129 CO 0.04 0.48 0.92 -0.69 0.00 0.00 0.00 175.10 175.84 1n3b s VAL 130 N 0.85 4.51 -0.06 2.92 1.01 0.09 -1.23 120.40 128.50 1n3b s VAL 130 Ca -0.02 0.83 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 1n3b s VAL 130 Cb -0.15 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 1n3b s VAL 130 CO 0.01 -0.76 0.05 -0.62 0.00 0.00 0.00 175.10 173.78 1n3b s ASP 131 N 2.17 5.55 0.17 3.32 3.68 0.07 -4.47 116.67 127.16 1n3b s ASP 131 Ca 0.37 0.18 -0.15 0.00 2.13 0.00 0.00 52.55 55.08 1n3b s ASP 131 Cb -0.11 -1.61 0.02 0.00 -1.45 0.00 0.00 42.92 39.78 1n3b s ASP 131 CO 0.24 0.34 0.44 0.68 0.13 0.00 0.00 175.17 177.00 1n3b s VAL 132 N -1.03 0.05 0.65 1.11 -7.23 -1.26 -1.27 120.40 111.42 1n3b s VAL 132 Ca 0.17 -0.86 -0.13 0.00 -1.81 0.00 0.00 61.98 59.35 1n3b s VAL 132 Cb -0.12 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1n3b s VAL 132 CO 0.07 -0.22 1.06 -0.94 -0.31 0.00 0.00 175.10 174.76 1n3b s SER 133 N -2.87 5.53 0.51 4.85 1.04 -1.26 -4.90 113.70 116.60 1n3b s SER 133 Ca 0.09 1.72 0.16 0.00 0.48 0.00 0.00 55.95 58.40 1n3b s SER 133 Cb 0.01 -2.51 1.25 0.00 0.10 0.00 0.00 66.02 64.86 1n3b s SER 133 CO -0.05 -1.34 2.14 -0.65 0.98 0.00 0.00 173.24 174.32 1n3b h PRO 134 N -0.20 0.03 -0.25 4.02 0.11 -2.00 -1.74 132.00 131.98 1n3b h PRO 134 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1n3b h PRO 134 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n3b h PRO 134 CO 0.57 0.02 0.11 1.49 -0.21 0.00 0.00 178.00 179.98 1n3b h GLU 135 N 0.03 0.36 -0.57 1.05 4.81 -1.99 -1.39 114.58 116.88 1n3b h GLU 135 Ca 0.02 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1n3b h GLU 135 Cb 0.03 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1n3b h GLU 135 CO -0.00 0.38 0.29 1.15 -0.73 0.00 0.00 179.01 180.09 1n3b h THR 136 N 0.26 0.93 -0.55 0.32 2.02 -1.70 0.49 112.91 114.69 1n3b h THR 136 Ca 0.08 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1n3b h THR 136 Cb 0.14 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 1n3b h THR 136 CO -0.01 0.10 0.36 1.56 0.37 0.00 0.00 175.52 177.90 1n3b h GLN 137 N 0.55 0.72 0.04 6.66 4.20 -1.17 -0.76 115.11 125.35 1n3b h GLN 137 Ca 0.26 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1n3b h GLN 137 Cb 0.18 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1n3b h GLN 137 CO -0.19 0.48 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.36 1n3b h LEU 138 N 0.74 -0.05 0.43 1.46 3.38 -0.48 -2.02 115.31 118.77 1n3b h LEU 138 Ca 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1n3b h LEU 138 Cb -0.08 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1n3b h LEU 138 CO -0.04 0.19 -0.43 0.11 0.09 0.00 0.00 178.44 178.36 1n3b h LYS 139 N -0.29 -0.82 -0.10 1.13 1.57 0.15 -3.21 116.57 115.00 1n3b h LYS 139 Ca -0.01 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1n3b h LYS 139 Cb 0.27 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1n3b h LYS 139 CO 0.01 -0.55 -0.15 0.00 -0.57 0.00 0.00 179.45 178.19 1n3b h ARG 140 N -0.85 -0.19 -0.16 3.15 3.08 -1.22 -0.96 114.38 117.21 1n3b h ARG 140 Ca -0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1n3b h ARG 140 Cb 0.74 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1n3b h ARG 140 CO -0.05 -0.13 0.00 2.41 -1.07 0.00 0.00 179.97 181.13 1n3b n THR 141 N -5.29 0.00 0.00 2.04 -1.04 -0.76 -0.81 114.28 108.42 1n3b n THR 141 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1n3b n THR 141 Cb 0.21 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 1n3b n THR 141 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1n3b n GLN 143 N 0.41 0.00 -0.00 -2.82 7.27 -0.37 0.68 117.38 122.55 1n3b n GLN 143 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1n3b n GLN 143 Cb 0.00 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.57 1n3b n GLN 143 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1n3b n ARG 144 N 0.00 2.11 0.00 3.69 0.63 0.01 -5.02 116.66 118.09 1n3b n ARG 144 Ca 0.00 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1n3b n ARG 144 Cb 0.00 -1.14 0.00 0.00 0.45 0.00 0.00 32.46 31.77 1n3b n ARG 144 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1n3b n ASP 145 N -1.51 0.00 0.00 6.15 8.00 0.21 -5.20 116.55 124.20 1n3b n ASP 145 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1n3b n ASP 145 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1n3b n ASP 145 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1n3b n ASP 146 N 0.00 0.00 -3.87 -2.24 8.00 -1.26 -5.03 116.55 112.15 1n3b n ASP 146 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1n3b n ASP 146 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1n3b n ASP 146 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n3b n VAL 147 N 0.00 -2.74 0.00 2.53 0.31 -1.26 -4.80 118.33 112.36 1n3b n VAL 147 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1n3b n VAL 147 Cb 0.00 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.53 1n3b n VAL 147 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1n3b n THR 148 N -3.47 0.00 -0.14 2.52 -2.24 -1.26 -3.45 114.28 106.24 1n3b n THR 148 Ca -0.22 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1n3b n THR 148 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1n3b n THR 148 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1n3b h ARG 149 N 0.00 0.87 -7.18 -0.78 3.08 -1.92 -3.40 114.38 105.05 1n3b h ARG 149 Ca 0.00 -0.37 -0.40 0.00 0.07 0.00 0.00 59.98 59.28 1n3b h ARG 149 Cb 0.00 -0.03 0.21 0.00 0.08 0.00 0.00 29.97 30.23 1n3b h ARG 149 CO 0.00 1.01 -0.01 -1.21 -1.07 0.00 0.00 179.97 178.69 1n3b s GLU 150 N -4.67 -2.16 0.00 0.04 8.01 -1.22 -1.75 118.70 116.94 1n3b s GLU 150 Ca -0.12 0.10 0.00 0.00 0.01 0.00 0.00 54.97 54.96 1n3b s GLU 150 Cb 0.11 -1.47 0.00 0.00 -4.31 0.00 0.00 34.13 28.46 1n3b s GLU 150 CO 0.84 -4.37 0.00 1.58 0.01 0.00 0.00 175.26 173.33 1n3b n HIS 151 N -5.26 0.00 -0.04 1.61 -0.00 -1.26 -4.15 115.22 106.13 1n3b n HIS 151 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.70 1n3b n HIS 151 Cb 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.50 1n3b n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1n3b h VAL 152 N 0.00 1.41 0.00 3.57 2.07 -1.76 -2.51 116.25 119.04 1n3b h VAL 152 Ca 0.00 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 1n3b h VAL 152 Cb 0.00 2.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1n3b h VAL 152 CO 0.00 0.44 -0.00 -0.33 0.02 0.00 0.00 177.57 177.70 1n3b h GLU 153 N -0.20 0.00 0.00 1.57 5.08 -1.50 0.59 114.58 120.12 1n3b h GLU 153 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1n3b h GLU 153 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1n3b h GLU 153 CO 0.05 0.00 -0.56 1.96 -1.00 0.00 0.00 179.01 179.46 1n3b h GLN 154 N 0.00 0.00 -0.01 2.33 1.08 -1.76 -0.99 115.11 115.76 1n3b h GLN 154 Ca -0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1n3b h GLN 154 Cb 0.01 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1n3b h GLN 154 CO 0.00 0.56 -0.39 0.82 -0.95 0.00 0.00 178.83 178.87 1n3b h ILE 155 N 0.00 1.48 -0.33 2.54 2.04 0.49 -2.94 117.51 120.80 1n3b h ILE 155 Ca -0.01 -1.96 -0.02 0.00 1.00 0.00 0.00 64.86 63.87 1n3b h ILE 155 Cb 0.99 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.68 1n3b h ILE 155 CO 0.07 0.55 0.11 -0.07 0.00 0.00 0.00 178.15 178.81 1n3b h LEU 156 N -0.30 0.42 -1.12 1.44 3.38 -0.82 -0.57 115.31 117.73 1n3b h LEU 156 Ca -0.05 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1n3b h LEU 156 Cb 1.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1n3b h LEU 156 CO 0.08 0.40 -0.36 0.00 0.09 0.00 0.00 178.44 178.65 1n3b h ALA 157 N 1.66 1.11 0.00 1.53 0.00 -1.21 -2.97 119.26 119.38 1n3b h ALA 157 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1n3b h ALA 157 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n3b h ALA 157 CO -0.01 0.45 -0.54 0.00 0.00 0.00 0.00 179.25 179.15 1n3b h ALA 158 N 1.64 0.69 -1.69 0.00 0.00 -0.95 -3.47 119.26 115.49 1n3b h ALA 158 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.48 1n3b h ALA 158 Cb 0.79 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.62 1n3b h ALA 158 CO 0.05 0.00 -0.13 -0.65 0.00 0.00 0.00 179.25 178.52 1n3b s GLN 159 N -3.23 2.67 0.71 0.00 -0.21 -0.71 -5.08 119.66 113.81 1n3b s GLN 159 Ca 0.05 -0.96 -0.14 0.00 0.02 0.00 0.00 55.36 54.33 1n3b s GLN 159 Cb 0.10 -2.60 0.03 0.00 1.00 0.00 0.00 33.01 31.54 1n3b s GLN 159 CO 0.72 -0.52 1.14 0.00 -2.12 0.00 0.00 175.29 174.50 1n3b s ALA 160 N -2.59 2.27 0.75 6.09 0.00 -1.26 -4.95 121.76 122.06 1n3b s ALA 160 Ca 0.56 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 1n3b s ALA 160 Cb -0.10 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.69 1n3b s ALA 160 CO 0.36 -1.62 1.08 0.95 0.00 0.00 0.00 175.76 176.54 1n3b s THR 161 N -2.34 3.48 0.22 0.00 -4.23 -1.26 -4.90 115.64 106.61 1n3b s THR 161 Ca 0.68 0.48 -0.07 0.00 -1.18 0.00 0.00 61.69 61.60 1n3b s THR 161 Cb -0.23 -3.27 0.17 0.00 1.34 0.00 0.00 72.50 70.51 1n3b s THR 161 CO 0.46 -0.63 1.80 -0.09 -0.54 0.00 0.00 174.62 175.61 1n3b h ARG 162 N -0.88 0.65 -0.36 3.99 2.43 -1.97 -1.81 114.38 116.42 1n3b h ARG 162 Ca -0.46 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 1n3b h ARG 162 Cb 1.25 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 1n3b h ARG 162 CO 0.59 0.43 -0.26 0.93 -1.51 0.00 0.00 179.97 180.15 1n3b h GLU 163 N 0.67 0.74 -0.88 0.20 3.07 -1.99 -2.02 114.58 114.36 1n3b h GLU 163 Ca 0.34 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1n3b h GLU 163 Cb 0.30 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1n3b h GLU 163 CO -0.23 0.92 0.50 0.00 -1.40 0.00 0.00 179.01 178.79 1n3b h ALA 164 N 1.07 1.22 -0.32 3.43 0.00 -1.71 -0.93 119.26 122.02 1n3b h ALA 164 Ca 0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1n3b h ALA 164 Cb 0.77 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1n3b h ALA 164 CO 0.06 0.64 -0.08 0.00 0.00 0.00 0.00 179.25 179.87 1n3b h ARG 165 N 1.22 0.62 -0.14 0.00 3.08 -1.16 -2.86 114.38 115.13 1n3b h ARG 165 Ca 0.31 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1n3b h ARG 165 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1n3b h ARG 165 CO -0.05 0.80 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.55 1n3b h LEU 166 N 0.39 0.19 -2.06 3.04 3.38 -0.98 -2.27 115.31 117.00 1n3b h LEU 166 Ca 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n3b h LEU 166 Cb 0.57 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1n3b h LEU 166 CO 0.03 0.25 -0.01 0.00 0.09 0.00 0.00 178.44 178.80 1n3b h ALA 167 N 1.78 1.90 -0.02 1.53 0.00 -0.93 -2.47 119.26 121.05 1n3b h ALA 167 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n3b h ALA 167 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n3b h ALA 167 CO 0.01 0.01 -0.12 1.33 0.00 0.00 0.00 179.25 180.48 1n3b n VAL 168 N -4.41 0.00 -2.54 0.00 0.24 -0.88 -4.99 118.33 105.74 1n3b n VAL 168 Ca -0.03 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.34 61.43 1n3b n VAL 168 Cb 0.10 1.34 -0.05 0.00 -1.47 0.00 0.00 33.84 33.76 1n3b n VAL 168 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n3b s ALA 169 N -1.73 3.39 -0.14 2.33 0.00 -0.93 -4.78 121.76 119.89 1n3b s ALA 169 Ca 0.20 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 1n3b s ALA 169 Cb 0.15 -3.30 -0.24 0.00 0.00 0.00 0.00 23.12 19.73 1n3b s ALA 169 CO 0.30 -0.07 0.29 -0.25 0.00 0.00 0.00 175.76 176.04 1n3b n ASP 170 N 1.29 2.08 -4.17 0.00 8.00 -0.18 -4.96 116.55 118.61 1n3b n ASP 170 Ca -0.01 0.21 -0.19 0.00 0.71 0.00 0.00 54.79 55.51 1n3b n ASP 170 Cb 0.45 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.59 1n3b n ASP 170 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1n3b s ASP 171 N -6.99 1.71 -0.01 -2.24 1.01 -0.72 -5.03 116.67 104.40 1n3b s ASP 171 Ca -0.24 -0.60 0.05 0.00 0.71 0.00 0.00 52.55 52.46 1n3b s ASP 171 Cb 0.07 -0.06 -0.01 0.00 1.01 0.00 0.00 42.92 43.93 1n3b s ASP 171 CO 0.73 -0.06 -0.15 -0.69 0.21 0.00 0.00 175.17 175.21 1n3b s VAL 172 N -1.22 1.19 -0.09 -1.27 1.01 -1.26 -1.35 120.40 117.41 1n3b s VAL 172 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1n3b s VAL 172 Cb -0.10 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1n3b s VAL 172 CO 0.02 0.32 -0.07 -0.51 0.00 0.00 0.00 175.10 174.86 1n3b s ILE 173 N -0.37 0.93 0.05 2.22 2.07 -0.37 -4.95 121.20 120.78 1n3b s ILE 173 Ca 0.06 -0.26 -0.30 0.00 -1.41 0.00 0.00 60.65 58.73 1n3b s ILE 173 Cb -0.06 -0.94 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 1n3b s ILE 173 CO -0.00 0.34 1.10 -0.62 -1.91 0.00 0.00 174.94 173.85 1n3b s ASP 174 N 1.46 7.22 -0.29 4.50 -1.08 -1.26 -0.75 116.67 126.47 1n3b s ASP 174 Ca -0.00 1.88 0.12 0.00 -0.52 0.00 0.00 52.55 54.03 1n3b s ASP 174 Cb -0.13 -2.58 0.47 0.00 -1.46 0.00 0.00 42.92 39.22 1n3b s ASP 174 CO -0.05 -0.35 1.15 -3.20 0.52 0.00 0.00 175.17 173.24 1n3b n ASN 175 N 3.74 3.81 0.02 -0.34 4.05 -0.40 -4.63 115.26 121.51 1n3b n ASN 175 Ca 0.07 -3.20 -0.04 0.00 0.45 0.00 0.00 54.58 51.86 1n3b n ASN 175 Cb 0.48 -0.40 -0.10 0.00 1.23 0.00 0.00 39.78 40.99 1n3b n ASN 175 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1n3b h ASN 176 N 2.36 0.00 0.00 1.20 2.35 -1.92 -3.47 115.58 116.10 1n3b h ASN 176 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1n3b h ASN 176 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 1n3b h ASN 176 CO 0.59 0.77 0.00 0.61 -1.65 0.00 0.00 177.43 177.75 1n3b n GLY 177 N 1.45 -1.11 0.08 2.83 0.00 -1.26 -4.97 105.19 102.21 1n3b n GLY 177 Ca -0.11 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1n3b n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n3b n ALA 178 N -3.00 1.62 -2.40 4.61 0.00 -1.26 -4.76 120.51 115.32 1n3b n ALA 178 Ca 0.00 -0.82 -0.37 0.00 0.00 0.00 0.00 53.44 52.25 1n3b n ALA 178 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1n3b n ALA 178 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n3b s PRO 179 N -2.36 3.23 0.35 0.00 0.04 -1.26 -5.09 135.00 129.91 1n3b s PRO 179 Ca -0.19 -0.74 0.10 0.00 0.04 0.00 0.00 61.00 60.20 1n3b s PRO 179 Cb 0.06 -5.14 0.65 0.00 0.04 0.00 0.00 34.50 30.11 1n3b s PRO 179 CO 0.47 -2.55 1.81 -0.44 0.04 0.00 0.00 177.00 176.32 1n3b h ASP 180 N 10.44 0.13 -0.08 6.66 3.32 -1.98 -3.27 116.42 131.65 1n3b h ASP 180 Ca 0.11 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1n3b h ASP 180 Cb 1.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1n3b h ASP 180 CO 1.35 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 179.33 1n3b n ALA 181 N -2.48 2.40 -0.16 3.45 0.00 -1.26 -4.69 120.51 117.77 1n3b n ALA 181 Ca -0.01 -0.71 -0.07 0.00 0.00 0.00 0.00 53.44 52.65 1n3b n ALA 181 Cb 0.40 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.56 1n3b n ALA 181 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1n3b h ILE 182 N 1.67 1.10 -0.69 0.00 2.04 -1.88 0.79 117.51 120.54 1n3b h ILE 182 Ca 0.00 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.71 1n3b h ILE 182 Cb 0.44 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1n3b h ILE 182 CO 0.00 0.12 0.38 0.00 0.00 0.00 0.00 178.15 178.64 1n3b h ALA 183 N 1.19 0.93 -0.14 1.87 0.00 -1.84 0.32 119.26 121.59 1n3b h ALA 183 Ca 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1n3b h ALA 183 Cb -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1n3b h ALA 183 CO -0.05 0.03 -0.04 0.77 0.00 0.00 0.00 179.25 179.96 1n3b h SER 184 N 0.68 0.29 -0.63 0.00 0.02 -1.74 -1.96 113.55 110.20 1n3b h SER 184 Ca 0.32 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1n3b h SER 184 Cb 0.24 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1n3b h SER 184 CO -0.21 0.60 0.38 0.44 -1.14 0.00 0.00 176.83 176.91 1n3b h ASP 185 N -0.03 0.76 -0.65 3.07 3.32 -0.42 -2.38 116.42 120.09 1n3b h ASP 185 Ca 0.04 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1n3b h ASP 185 Cb 0.48 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1n3b h ASP 185 CO 0.02 0.60 0.20 0.58 -1.72 0.00 0.00 179.24 178.91 1n3b h VAL 186 N 0.86 1.25 -0.93 -1.35 2.07 -0.33 -2.31 116.25 115.51 1n3b h VAL 186 Ca 0.23 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1n3b h VAL 186 Cb -0.02 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1n3b h VAL 186 CO -0.04 0.34 0.62 0.00 0.02 0.00 0.00 177.57 178.50 1n3b h ALA 187 N 1.21 1.19 -0.37 1.67 0.00 -0.94 0.40 119.26 122.43 1n3b h ALA 187 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1n3b h ALA 187 Cb 0.30 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n3b h ALA 187 CO -0.01 0.56 0.05 0.00 0.00 0.00 0.00 179.25 179.86 1n3b h ARG 188 N 1.25 0.62 -0.50 0.00 3.08 -1.01 -2.29 114.38 115.53 1n3b h ARG 188 Ca 0.35 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1n3b h ARG 188 Cb -0.11 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1n3b h ARG 188 CO -0.08 0.69 0.25 -0.07 -1.07 0.00 0.00 179.97 179.68 1n3b h LEU 189 N 0.46 0.65 -0.67 3.04 3.38 -1.04 -2.75 115.31 118.38 1n3b h LEU 189 Ca 0.11 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1n3b h LEU 189 Cb 0.37 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1n3b h LEU 189 CO 0.01 0.59 0.31 -0.74 0.09 0.00 0.00 178.44 178.71 1n3b h HIS 190 N 0.67 0.56 -0.74 1.13 2.76 -0.78 0.20 115.15 118.95 1n3b h HIS 190 Ca 0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1n3b h HIS 190 Cb 0.11 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 1n3b h HIS 190 CO -0.01 0.19 0.46 0.00 -1.30 0.00 0.00 177.93 177.28 1n3b h ALA 191 N 1.41 0.93 -0.25 5.26 0.00 -1.15 -0.45 119.26 125.02 1n3b h ALA 191 Ca 0.33 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1n3b h ALA 191 Cb 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n3b h ALA 191 CO -0.27 0.38 -0.29 1.25 0.00 0.00 0.00 179.25 180.33 1n3b h HIS 192 N 1.00 0.77 -0.38 0.00 6.17 -0.96 -2.95 115.15 118.80 1n3b h HIS 192 Ca 0.27 -0.24 -0.03 0.00 0.71 0.00 0.00 60.37 61.07 1n3b h HIS 192 Cb -0.07 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.68 1n3b h HIS 192 CO -0.02 0.97 0.10 1.88 0.71 0.00 0.00 177.93 181.58 1n3b h TYR 193 N 0.35 0.56 -0.60 5.26 0.05 -0.30 -0.24 116.97 122.05 1n3b h TYR 193 Ca 0.04 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1n3b h TYR 193 Cb 0.86 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 1n3b h TYR 193 CO 0.08 0.48 0.28 -0.07 -1.05 0.00 0.00 178.16 177.88 1n3b h LEU 194 N 0.55 0.79 0.01 3.88 3.38 -1.06 0.69 115.31 123.55 1n3b h LEU 194 Ca 0.13 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n3b h LEU 194 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1n3b h LEU 194 CO -0.01 0.70 -0.01 -0.61 0.09 0.00 0.00 178.44 178.61 1n3b h GLN 195 N 0.82 -0.01 -0.67 1.13 4.15 -1.18 -1.37 115.11 117.97 1n3b h GLN 195 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.63 1n3b h GLN 195 Cb 0.13 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 1n3b h GLN 195 CO -0.03 0.14 0.44 -0.07 -1.93 0.00 0.00 178.83 177.38 1n3b h LEU 196 N -0.16 0.77 -0.82 -2.39 3.38 -0.86 -2.83 115.31 112.39 1n3b h LEU 196 Ca -0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1n3b h LEU 196 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1n3b h LEU 196 CO 0.00 0.56 -0.36 0.00 0.09 0.00 0.00 178.44 178.73 1n3b h ALA 197 N 1.25 0.99 0.00 1.53 0.00 -0.77 -1.79 119.26 120.47 1n3b h ALA 197 Ca 0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1n3b h ALA 197 Cb -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1n3b h ALA 197 CO -0.05 0.61 -0.17 0.66 0.00 0.00 0.00 179.25 180.30 1n3b h SER 198 N 0.38 0.00 -0.00 0.00 4.64 -1.00 -3.28 113.55 114.29 1n3b h SER 198 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1n3b h SER 198 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1n3b h SER 198 CO 0.07 0.17 -0.49 0.00 -0.87 0.00 0.00 176.83 175.70 1n3b n GLN 199 N -3.33 3.36 0.05 4.77 10.64 -1.15 -4.74 117.38 126.99 1n3b n GLN 199 Ca 0.00 -0.04 0.05 0.00 -1.83 0.00 0.00 57.00 55.19 1n3b n GLN 199 Cb 0.39 -1.02 0.48 0.00 -0.86 0.00 0.00 30.24 29.24 1n3b n GLN 199 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 1n3b h PHE 200 N 0.07 0.40 -0.45 2.61 -5.15 -1.38 -0.69 116.94 112.35 1n3b h PHE 200 Ca 0.00 0.01 -0.13 0.00 -0.20 0.00 0.00 57.97 57.65 1n3b h PHE 200 Cb 0.26 -0.13 -0.01 0.00 0.22 0.00 0.00 35.95 36.28 1n3b h PHE 200 CO 0.00 0.25 -0.22 0.28 -2.00 0.00 0.00 178.31 176.62 1n3b h VAL 201 N 0.42 1.27 -0.00 0.88 2.07 -1.85 -3.30 116.25 115.75 1n3b h VAL 201 Ca 0.12 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1n3b h VAL 201 Cb -0.01 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1n3b h VAL 201 CO -0.03 0.47 -0.88 -1.20 0.02 0.00 0.00 177.57 175.95 1n3b n SER 202 N -4.11 0.94 -4.57 0.57 7.64 -1.15 -4.96 113.62 107.99 1n3b n SER 202 Ca 0.00 -0.97 -0.45 0.00 1.01 0.00 0.00 58.87 58.46 1n3b n SER 202 Cb 0.45 0.98 -0.04 0.00 -1.01 0.00 0.00 64.21 64.58 1n3b n SER 202 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1n3b n GLN 203 N -1.38 1.80 0.00 1.43 7.27 -0.28 -4.87 117.38 121.35 1n3b n GLN 203 Ca 0.04 0.52 -0.09 0.00 0.07 0.00 0.00 57.00 57.54 1n3b n GLN 203 Cb 0.30 -2.98 0.07 0.00 2.41 0.00 0.00 30.24 30.04 1n3b n GLN 203 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1n3b h GLU 204 N 13.70 0.56 -5.59 3.69 5.08 -1.93 -3.44 114.58 126.65 1n3b h GLU 204 Ca -0.38 -0.33 -0.61 0.00 -1.00 0.00 0.00 59.36 57.03 1n3b h GLU 204 Cb 1.26 0.03 -0.31 0.00 0.50 0.00 0.00 28.75 30.23 1n3b h GLU 204 CO 0.97 0.94 -0.86 0.15 -1.00 0.00 0.00 179.01 179.22 1n3b s LYS 205 N -4.06 2.09 0.00 2.33 1.02 -1.26 -5.27 119.74 114.60 1n3b s LYS 205 Ca -0.07 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1n3b s LYS 205 Cb 0.12 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 1n3b s LYS 205 CO 0.84 0.30 0.42 -2.30 -0.92 0.00 0.00 175.35 173.68