#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r n GLU 5 N 0.00 -4.42 -3.42 0.00 1.02 -1.26 -5.02 120.64 107.54 1n8r n GLU 5 Ca 0.00 3.15 -0.19 0.00 -0.02 0.00 0.00 57.16 60.11 1n8r n GLU 5 Cb 0.00 -3.76 -0.10 0.00 -0.02 0.00 0.00 31.44 27.56 1n8r n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1n8r s PHE 6 N -0.45 -0.35 -1.01 -0.32 5.36 -1.26 -5.06 117.98 114.89 1n8r s PHE 6 Ca 0.00 -0.30 -0.27 0.00 -0.96 0.00 0.00 56.93 55.40 1n8r s PHE 6 Cb 0.00 -0.52 -0.25 0.00 -0.34 0.00 0.00 43.02 41.91 1n8r s PHE 6 CO 0.00 -0.91 2.08 -0.25 -1.46 0.00 0.00 175.22 174.68 1n8r n ASP 7 N 5.26 1.30 -4.67 6.13 8.00 -1.26 -4.88 116.55 126.43 1n8r n ASP 7 Ca -0.02 -2.49 -0.42 0.00 0.71 0.00 0.00 54.79 52.57 1n8r n ASP 7 Cb 0.46 -1.65 -0.03 0.00 -0.02 0.00 0.00 41.12 39.88 1n8r n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n8r s ALA 8 N 16.77 3.58 0.32 2.24 0.00 -1.26 -4.79 121.76 138.61 1n8r s ALA 8 Ca 0.81 0.15 0.20 0.00 0.00 0.00 0.00 51.96 53.12 1n8r s ALA 8 Cb -0.03 -3.42 0.98 0.00 0.00 0.00 0.00 23.12 20.65 1n8r s ALA 8 CO 0.20 -0.84 1.89 -0.44 0.00 0.00 0.00 175.76 176.57 1n8r h ASP 9 N 7.37 0.00 -4.21 0.00 3.32 -0.63 -3.43 116.42 118.84 1n8r h ASP 9 Ca -0.25 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.57 1n8r h ASP 9 Cb 1.10 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.40 1n8r h ASP 9 CO 0.90 0.27 -0.72 -0.69 -1.72 0.00 0.00 179.24 177.28 1n8r s VAL 10 N -4.01 0.16 -0.24 -1.35 1.01 -0.71 -4.97 120.40 110.28 1n8r s VAL 10 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1n8r s VAL 10 Cb 0.13 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.37 1n8r s VAL 10 CO 0.66 -0.15 -0.05 -0.63 0.00 0.00 0.00 175.10 174.93 1n8r s ILE 11 N -0.56 1.51 -0.20 2.22 1.01 -1.26 -1.96 121.20 121.96 1n8r s ILE 11 Ca -0.05 -1.24 -0.10 0.00 0.00 0.00 0.00 60.65 59.26 1n8r s ILE 11 Cb -0.04 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1n8r s ILE 11 CO -0.00 -0.13 0.15 -0.69 0.00 0.00 0.00 174.94 174.27 1n8r s VAL 12 N 1.40 5.39 -0.34 2.92 1.01 0.55 0.78 120.40 132.11 1n8r s VAL 12 Ca -0.05 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 1n8r s VAL 12 Cb -0.19 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1n8r s VAL 12 CO -0.07 0.42 0.48 -0.62 0.00 0.00 0.00 175.10 175.31 1n8r s ASP 13 N 0.50 6.30 0.12 3.32 -1.08 -0.07 0.04 116.67 125.79 1n8r s ASP 13 Ca 0.09 -0.01 0.27 0.00 -0.52 0.00 0.00 52.55 52.37 1n8r s ASP 13 Cb -0.12 -2.26 0.83 0.00 -1.46 0.00 0.00 42.92 39.92 1n8r s ASP 13 CO -0.00 -0.43 1.71 0.00 0.52 0.00 0.00 175.17 176.97 1n8r n ALA 14 N 5.65 2.51 -1.68 3.66 0.00 -0.17 -4.71 120.51 125.77 1n8r n ALA 14 Ca -0.06 -0.11 -0.54 0.00 0.00 0.00 0.00 53.44 52.74 1n8r n ALA 14 Cb 0.49 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 1n8r n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1n8r n ARG 15 N -1.96 1.44 -2.36 0.00 0.63 -1.25 -0.84 116.66 112.31 1n8r n ARG 15 Ca 0.06 0.53 -0.20 0.00 -0.92 0.00 0.00 57.85 57.31 1n8r n ARG 15 Cb 0.40 -2.24 -0.01 0.00 0.45 0.00 0.00 32.46 31.06 1n8r n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1n8r n ASP 16 N 4.97 -5.76 -4.44 6.15 9.92 -0.69 -4.93 116.55 121.76 1n8r n ASP 16 Ca 0.23 -0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.20 1n8r n ASP 16 Cb 0.19 -4.79 -0.12 0.00 -0.64 0.00 0.00 41.12 35.75 1n8r n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n8r s ILE 18 N -1.02 3.58 0.12 0.00 1.01 0.19 -1.69 121.20 123.38 1n8r s ILE 18 Ca 0.15 0.45 -0.22 0.00 0.00 0.00 0.00 60.65 61.04 1n8r s ILE 18 Cb -0.10 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1n8r s ILE 18 CO 0.07 -1.06 1.11 0.80 0.00 0.00 0.00 174.94 175.85 1n8r n MET 19 N 8.91 -0.31 0.00 2.79 0.00 -0.74 -0.99 117.12 126.78 1n8r n MET 19 Ca 0.15 1.09 -0.10 0.00 -0.00 0.00 0.00 57.70 58.84 1n8r n MET 19 Cb 0.50 -1.60 -0.03 0.00 0.00 0.00 0.00 33.22 32.08 1n8r n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1n8r h GLY 20 N 0.00 -0.33 0.36 -5.12 0.00 -1.90 0.12 103.07 96.20 1n8r h GLY 20 Ca 0.12 0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.89 1n8r h GLY 20 CO -0.68 -0.21 0.24 3.21 0.00 0.00 0.00 176.54 179.10 1n8r h ARG 21 N -0.34 0.41 0.72 4.80 3.08 -1.45 0.21 114.38 121.81 1n8r h ARG 21 Ca 0.10 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1n8r h ARG 21 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1n8r h ARG 21 CO -0.32 0.27 -0.39 0.28 -1.07 0.00 0.00 179.97 178.74 1n8r h VAL 22 N 0.42 0.00 -0.84 2.04 2.07 -0.42 -2.85 116.25 116.67 1n8r h VAL 22 Ca 0.32 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.05 1n8r h VAL 22 Cb 0.41 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.04 1n8r h VAL 22 CO -0.32 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.36 1n8r h ALA 23 N -1.43 1.02 -0.78 1.67 0.00 -0.20 0.30 119.26 119.84 1n8r h ALA 23 Ca -0.10 0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1n8r h ALA 23 Cb 0.79 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1n8r h ALA 23 CO 0.14 -0.46 0.42 1.03 0.00 0.00 0.00 179.25 180.37 1n8r h SER 24 N 0.13 0.56 -0.14 0.00 0.87 -0.52 -0.29 113.55 114.16 1n8r h SER 24 Ca 0.49 0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.90 1n8r h SER 24 Cb 0.94 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1n8r h SER 24 CO -0.70 0.31 -0.76 1.56 -0.53 0.00 0.00 176.83 176.71 1n8r h GLN 25 N 0.68 0.76 0.00 2.24 4.20 -0.31 -2.71 115.11 119.98 1n8r h GLN 25 Ca 0.39 -0.63 -0.05 0.00 0.06 0.00 0.00 58.65 58.42 1n8r h GLN 25 Cb 0.41 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1n8r h GLN 25 CO -0.28 1.24 -0.21 0.28 -0.67 0.00 0.00 178.83 179.19 1n8r h VAL 26 N 0.49 0.90 0.03 -0.54 2.07 -0.08 -1.71 116.25 117.41 1n8r h VAL 26 Ca -0.05 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1n8r h VAL 26 Cb 1.39 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1n8r h VAL 26 CO 0.16 0.21 -0.01 0.00 0.02 0.00 0.00 177.57 177.94 1n8r h ALA 27 N 1.79 -0.04 -0.82 1.67 0.00 -1.09 -1.81 119.26 118.96 1n8r h ALA 27 Ca -0.00 -0.34 0.20 0.00 0.00 0.00 0.00 54.91 54.77 1n8r h ALA 27 Cb 0.45 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1n8r h ALA 27 CO 0.03 -0.14 0.20 1.49 0.00 0.00 0.00 179.25 180.83 1n8r h GLU 28 N -0.79 0.23 -0.25 0.00 4.57 -1.22 -0.19 114.58 116.93 1n8r h GLU 28 Ca -0.00 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.00 1n8r h GLU 28 Cb 0.70 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 1n8r h GLU 28 CO 0.01 0.15 -0.49 1.96 -1.18 0.00 0.00 179.01 179.45 1n8r h GLN 29 N 0.23 0.69 -0.00 1.92 4.20 -1.35 -2.83 115.11 117.97 1n8r h GLN 29 Ca 0.49 -0.41 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1n8r h GLN 29 Cb 0.93 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1n8r h GLN 29 CO -0.60 1.03 -0.36 0.00 -0.67 0.00 0.00 178.83 178.23 1n8r h ALA 30 N 0.90 1.40 0.00 3.87 0.00 -0.18 -0.29 119.26 124.97 1n8r h ALA 30 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1n8r h ALA 30 Cb 1.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1n8r h ALA 30 CO 0.10 0.45 -0.15 1.28 0.00 0.00 0.00 179.25 180.93 1n8r n LEU 31 N -4.11 0.58 -1.04 0.00 4.77 -0.38 -2.38 117.00 114.43 1n8r n LEU 31 Ca -0.02 0.45 0.09 0.00 -0.03 0.00 0.00 56.01 56.51 1n8r n LEU 31 Cb 0.40 -0.33 0.26 0.00 -2.33 0.00 0.00 43.42 41.41 1n8r n LEU 31 CO 0.39 -0.09 0.72 0.47 -1.33 0.00 0.00 177.39 177.54 1n8r n ASP 32 N -2.00 3.03 0.00 -1.43 8.00 -0.55 -4.92 116.55 118.69 1n8r n ASP 32 Ca 0.05 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1n8r n ASP 32 Cb 0.40 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1n8r n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n8r n GLY 33 N 1.41 0.75 3.78 0.44 0.00 -1.00 -5.06 105.19 105.50 1n8r n GLY 33 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1n8r n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8r s GLU 34 N -0.40 4.57 -0.32 1.61 0.41 -0.23 -4.98 118.70 119.36 1n8r s GLU 34 Ca 0.00 1.36 -0.16 0.00 -0.41 0.00 0.00 54.97 55.76 1n8r s GLU 34 Cb 0.00 -2.81 -0.02 0.00 -1.78 0.00 0.00 34.13 29.52 1n8r s GLU 34 CO 0.00 0.26 0.41 0.99 -0.49 0.00 0.00 175.26 176.43 1n8r s THR 35 N -1.59 5.12 0.08 3.63 2.01 -1.26 -4.21 115.64 119.42 1n8r s THR 35 Ca 0.50 0.30 0.06 0.00 0.31 0.00 0.00 61.69 62.86 1n8r s THR 35 Cb -0.19 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1n8r s THR 35 CO 0.25 -0.06 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.38 1n8r s VAL 36 N 2.15 3.66 -0.06 3.82 1.01 -0.98 0.15 120.40 130.16 1n8r s VAL 36 Ca 0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1n8r s VAL 36 Cb -0.16 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1n8r s VAL 36 CO 0.12 0.16 -0.00 0.00 0.00 0.00 0.00 175.10 175.37 1n8r s ALA 37 N -1.22 0.59 -0.24 5.51 0.00 -0.83 -2.41 121.76 123.17 1n8r s ALA 37 Ca 0.22 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 1n8r s ALA 37 Cb -0.11 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1n8r s ALA 37 CO 0.15 -0.29 0.14 0.08 0.00 0.00 0.00 175.76 175.84 1n8r s VAL 38 N 1.57 5.18 0.23 0.00 1.01 -0.12 -0.33 120.40 127.94 1n8r s VAL 38 Ca -0.01 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1n8r s VAL 38 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1n8r s VAL 38 CO -0.03 0.35 0.07 -0.69 0.00 0.00 0.00 175.10 174.80 1n8r s VAL 39 N 1.08 3.94 -1.45 2.92 1.01 0.11 0.07 120.40 128.08 1n8r s VAL 39 Ca 0.07 -1.55 -0.08 0.00 0.00 0.00 0.00 61.98 60.42 1n8r s VAL 39 Cb -0.14 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.22 1n8r s VAL 39 CO 0.04 -0.27 0.85 0.59 0.00 0.00 0.00 175.10 176.31 1n8r n ASN 40 N -0.74 -3.21 -0.22 3.32 3.02 0.54 -1.00 115.26 116.96 1n8r n ASN 40 Ca -0.08 -0.81 0.09 0.00 -0.03 0.00 0.00 54.58 53.75 1n8r n ASN 40 Cb 0.57 -3.87 0.37 0.00 -0.61 0.00 0.00 39.78 36.24 1n8r n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n8r h ALA 41 N 0.92 1.78 -0.04 5.41 0.00 -1.63 0.34 119.26 126.03 1n8r h ALA 41 Ca -0.59 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1n8r h ALA 41 Cb 1.37 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1n8r h ALA 41 CO 0.63 0.05 0.07 1.05 0.00 0.00 0.00 179.25 181.05 1n8r h GLU 42 N 0.72 0.00 -0.62 0.00 9.09 -1.85 -0.65 114.58 121.27 1n8r h GLU 42 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 1n8r h GLU 42 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1n8r h GLU 42 CO -0.15 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.45 1n8r n ARG 43 N -3.53 2.68 -1.04 1.06 1.74 0.10 -1.44 116.66 116.23 1n8r n ARG 43 Ca -0.02 -2.51 -0.29 0.00 -0.77 0.00 0.00 57.85 54.26 1n8r n ARG 43 Cb 0.16 -1.52 0.20 0.00 -1.02 0.00 0.00 32.46 30.28 1n8r n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n8r s ALA 44 N -1.08 0.57 0.09 7.54 0.00 -0.25 -1.71 121.76 126.93 1n8r s ALA 44 Ca 0.44 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 1n8r s ALA 44 Cb 0.23 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1n8r s ALA 44 CO 0.31 -3.21 0.13 0.54 0.00 0.00 0.00 175.76 173.53 1n8r s VAL 45 N -2.88 0.15 -0.04 0.00 0.11 -0.68 -2.01 120.40 115.04 1n8r s VAL 45 Ca 0.67 -1.42 -0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1n8r s VAL 45 Cb -0.18 -1.50 0.03 0.00 -1.53 0.00 0.00 36.38 33.21 1n8r s VAL 45 CO 0.58 -0.69 0.08 -0.51 -3.33 0.00 0.00 175.10 171.23 1n8r s ILE 46 N -3.90 -0.12 0.74 7.04 2.07 -0.75 -1.80 121.20 124.48 1n8r s ILE 46 Ca 0.08 0.35 -0.14 0.00 -1.41 0.00 0.00 60.65 59.54 1n8r s ILE 46 Cb 0.06 -0.17 0.04 0.00 0.13 0.00 0.00 42.46 42.52 1n8r s ILE 46 CO -0.09 0.15 1.15 -0.89 -1.91 0.00 0.00 174.94 173.35 1n8r s THR 47 N 1.86 2.71 -2.39 4.00 2.01 -1.26 -1.85 115.64 120.71 1n8r s THR 47 Ca 0.00 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1n8r s THR 47 Cb -0.12 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1n8r s THR 47 CO -0.04 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 1n8r n GLY 48 N -0.13 0.93 3.52 4.40 0.00 -0.56 -4.88 105.19 108.47 1n8r n GLY 48 Ca 0.12 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1n8r n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n8r s ARG 49 N -1.00 3.31 0.15 1.61 3.52 -1.26 -2.97 118.95 122.32 1n8r s ARG 49 Ca 0.00 -0.31 -0.05 0.00 -0.13 0.00 0.00 55.73 55.24 1n8r s ARG 49 Cb 0.00 -4.08 0.24 0.00 -1.56 0.00 0.00 34.95 29.56 1n8r s ARG 49 CO 0.00 -1.56 0.87 -1.91 -0.81 0.00 0.00 175.30 171.90 1n8r n GLU 50 N 7.59 -0.06 -0.08 5.12 2.13 -1.26 -0.64 120.64 133.43 1n8r n GLU 50 Ca 0.01 0.87 -0.06 0.00 0.66 0.00 0.00 57.16 58.64 1n8r n GLU 50 Cb 0.47 -1.30 -0.00 0.00 0.27 0.00 0.00 31.44 30.88 1n8r n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1n8r h GLU 51 N 0.00 0.04 -0.22 5.31 3.07 -1.99 0.17 114.58 120.96 1n8r h GLU 51 Ca 0.26 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.00 1n8r h GLU 51 Cb 0.40 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1n8r h GLU 51 CO -0.57 0.02 -0.32 -0.56 -1.40 0.00 0.00 179.01 176.18 1n8r h GLN 52 N 0.04 0.60 -0.34 2.33 -0.00 -1.30 -2.13 115.11 114.31 1n8r h GLN 52 Ca 0.15 -0.36 0.07 0.00 -0.00 0.00 0.00 58.65 58.51 1n8r h GLN 52 Cb 0.22 0.03 -0.07 0.00 -0.00 0.00 0.00 27.48 27.67 1n8r h GLN 52 CO -0.29 0.97 -0.09 0.82 -0.00 0.00 0.00 178.83 180.24 1n8r h ILE 53 N 0.29 0.65 -0.52 1.86 2.04 -1.04 -1.94 117.51 118.85 1n8r h ILE 53 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1n8r h ILE 53 Cb 0.91 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1n8r h ILE 53 CO 0.07 0.00 0.32 0.58 0.00 0.00 0.00 178.15 179.12 1n8r h VAL 54 N -0.00 1.16 -0.96 1.67 2.07 -0.61 -2.49 116.25 117.09 1n8r h VAL 54 Ca 0.17 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 67.46 1n8r h VAL 54 Cb 0.25 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 1n8r h VAL 54 CO -0.35 0.16 0.61 -0.33 0.02 0.00 0.00 177.57 177.67 1n8r h GLU 55 N 0.70 0.89 0.24 1.57 5.08 -0.69 0.50 114.58 122.86 1n8r h GLU 55 Ca 0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1n8r h GLU 55 Cb -0.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1n8r h GLU 55 CO -0.04 0.59 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.23 1n8r h LYS 56 N 0.91 -0.31 -0.43 2.33 3.64 -0.93 -0.09 116.57 121.69 1n8r h LYS 56 Ca 0.47 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.78 1n8r h LYS 56 Cb 0.52 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1n8r h LYS 56 CO -0.23 -0.13 -0.09 1.88 -2.27 0.00 0.00 179.45 178.61 1n8r h TYR 57 N -0.42 0.83 -0.65 1.91 -1.99 -1.07 -2.36 116.97 113.22 1n8r h TYR 57 Ca -0.03 -0.14 -0.04 0.00 2.00 0.00 0.00 58.73 60.52 1n8r h TYR 57 Cb 0.32 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 1n8r h TYR 57 CO -0.03 0.81 0.25 0.93 -0.00 0.00 0.00 178.16 180.12 1n8r h GLU 58 N 0.69 0.98 -0.16 4.88 5.08 0.16 -1.96 114.58 124.26 1n8r h GLU 58 Ca 0.12 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1n8r h GLU 58 Cb 0.55 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1n8r h GLU 58 CO 0.03 0.83 -0.19 -0.22 -1.00 0.00 0.00 179.01 178.47 1n8r h LYS 59 N 0.92 -0.21 -0.97 2.33 1.63 -0.73 -0.50 116.57 119.04 1n8r h LYS 59 Ca 0.22 0.01 0.21 0.00 -0.85 0.00 0.00 60.65 60.24 1n8r h LYS 59 Cb 0.23 0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.81 1n8r h LYS 59 CO -0.02 -0.14 0.62 0.00 -3.45 0.00 0.00 179.45 176.46 1n8r h ARG 60 N -0.22 0.56 -0.30 1.90 3.08 -1.01 0.87 114.38 119.26 1n8r h ARG 60 Ca 0.11 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1n8r h ARG 60 Cb 0.38 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1n8r h ARG 60 CO -0.29 0.37 -0.07 0.28 -1.07 0.00 0.00 179.97 179.19 1n8r h VAL 61 N 0.58 1.28 0.00 2.04 2.07 -0.36 -3.19 116.25 118.66 1n8r h VAL 61 Ca 0.54 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 1n8r h VAL 61 Cb 1.09 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1n8r h VAL 61 CO -0.29 0.35 -0.41 0.44 0.02 0.00 0.00 177.57 177.68 1n8r h ASP 62 N 0.35 0.00 -3.77 0.57 3.32 -0.13 -3.45 116.42 113.32 1n8r h ASP 62 Ca 0.08 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.57 1n8r h ASP 62 Cb 0.55 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.22 1n8r h ASP 62 CO 0.03 0.41 0.60 -0.38 -1.72 0.00 0.00 179.24 178.18 1n8r n ILE 63 N -3.94 2.69 0.00 0.35 5.41 0.06 -4.92 119.36 119.01 1n8r n ILE 63 Ca -0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.23 1n8r n ILE 63 Cb 0.45 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 1n8r n ILE 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n8r n GLY 64 N 0.69 2.60 0.00 7.39 0.00 -1.26 -4.61 105.19 110.01 1n8r n GLY 64 Ca 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1n8r n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n8r n ASN 65 N 0.00 0.00 -0.22 1.61 0.23 -1.26 -4.95 115.26 110.67 1n8r n ASN 65 Ca 0.00 -0.55 -0.04 0.00 -0.53 0.00 0.00 54.58 53.47 1n8r n ASN 65 Cb 0.00 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 37.77 1n8r n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1n8r h ASP 66 N 0.00 0.60 -0.38 0.53 3.32 -2.05 -0.59 116.42 117.85 1n8r h ASP 66 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1n8r h ASP 66 Cb 0.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1n8r h ASP 66 CO 0.00 0.41 0.20 -1.13 -1.72 0.00 0.00 179.24 177.00 1n8r h ASN 67 N 0.73 0.52 -4.77 6.45 -0.73 -2.05 -3.48 115.58 112.25 1n8r h ASN 67 Ca 0.26 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1n8r h ASN 67 Cb 0.07 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.53 1n8r h ASN 67 CO -0.13 0.44 0.00 0.61 -0.37 0.00 0.00 177.43 177.99 1n8r n GLY 68 N -1.27 1.02 2.51 1.57 0.00 -0.23 -4.99 105.19 103.81 1n8r n GLY 68 Ca 0.03 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 1n8r n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n8r s TYR 69 N -2.47 0.23 -0.62 1.61 5.04 -1.26 -4.74 117.35 115.15 1n8r s TYR 69 Ca 0.00 -1.76 -0.27 0.00 -2.44 0.00 0.00 57.07 52.60 1n8r s TYR 69 Cb 0.00 -0.53 -0.00 0.00 0.35 0.00 0.00 41.96 41.78 1n8r s TYR 69 CO 0.00 -0.97 1.63 0.12 -1.34 0.00 0.00 175.55 174.99 1n8r s PHE 70 N 0.35 1.94 -0.18 4.97 5.36 -1.26 -4.79 117.98 124.37 1n8r s PHE 70 Ca 0.31 0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 56.76 1n8r s PHE 70 Cb 0.02 -4.28 -0.02 0.00 -0.34 0.00 0.00 43.02 38.40 1n8r s PHE 70 CO -0.15 -2.22 -0.03 -0.47 -1.46 0.00 0.00 175.22 170.89 1n8r s TYR 71 N 7.53 2.99 0.59 10.12 5.04 -1.26 -5.09 117.35 137.28 1n8r s TYR 71 Ca 0.57 -0.53 -0.20 0.00 -2.44 0.00 0.00 57.07 54.47 1n8r s TYR 71 Cb -0.12 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.14 1n8r s TYR 71 CO 0.21 -0.24 1.34 -1.25 -1.34 0.00 0.00 175.55 174.26 1n8r s PRO 72 N 0.85 2.86 -0.06 4.97 0.04 -1.26 -4.89 135.00 137.51 1n8r s PRO 72 Ca -0.01 2.17 0.05 0.00 0.04 0.00 0.00 61.00 63.26 1n8r s PRO 72 Cb -0.14 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 1n8r s PRO 72 CO 0.02 -1.39 0.02 1.63 0.04 0.00 0.00 177.00 177.31 1n8r n LYS 73 N -1.44 2.92 -1.72 4.56 5.02 -1.26 -4.60 118.16 121.64 1n8r n LYS 73 Ca 0.13 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.10 1n8r n LYS 73 Cb 0.46 -1.16 0.04 0.00 -0.02 0.00 0.00 35.03 34.36 1n8r n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1n8r s ARG 74 N -2.15 2.88 0.38 1.97 1.81 -1.26 -4.26 118.95 118.31 1n8r s ARG 74 Ca -0.03 1.22 0.28 0.00 -1.72 0.00 0.00 55.73 55.48 1n8r s ARG 74 Cb 0.02 -1.97 1.19 0.00 -0.45 0.00 0.00 34.95 33.74 1n8r s ARG 74 CO 0.25 -1.16 1.83 -1.00 -0.68 0.00 0.00 175.30 174.53 1n8r h PRO 75 N -0.18 0.00 0.00 3.54 0.13 -1.93 -2.08 132.00 131.48 1n8r h PRO 75 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1n8r h PRO 75 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1n8r h PRO 75 CO 0.55 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.85 1n8r n ASP 76 N -2.55 0.00 0.10 1.44 -0.08 -1.26 -2.89 116.55 111.31 1n8r n ASP 76 Ca 0.01 0.77 -0.12 0.00 -1.51 0.00 0.00 54.79 53.94 1n8r n ASP 76 Cb 0.23 -0.27 -0.05 0.00 2.34 0.00 0.00 41.12 43.36 1n8r n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1n8r h GLY 77 N 0.00 -0.46 -0.75 0.27 0.00 -1.92 -2.80 103.07 97.40 1n8r h GLY 77 Ca 0.00 0.31 0.12 0.00 0.00 0.00 0.00 47.33 47.75 1n8r h GLY 77 CO 0.00 -0.22 -0.29 1.39 0.00 0.00 0.00 176.54 177.42 1n8r n ILE 78 N -5.38 -0.40 -0.00 2.60 2.08 -0.79 0.12 119.36 117.60 1n8r n ILE 78 Ca -0.06 1.77 -0.04 0.00 0.56 0.00 0.00 62.75 64.98 1n8r n ILE 78 Cb 0.29 -2.33 0.19 0.00 -0.75 0.00 0.00 39.64 37.03 1n8r n ILE 78 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1n8r h PHE 79 N 0.00 0.59 -0.19 1.39 -0.00 -1.39 -1.01 116.94 116.33 1n8r h PHE 79 Ca 0.26 -0.12 -0.21 0.00 -0.00 0.00 0.00 57.97 57.90 1n8r h PHE 79 Cb 0.45 -0.15 0.01 0.00 -0.00 0.00 0.00 35.95 36.26 1n8r h PHE 79 CO -0.66 0.72 -0.70 -0.22 -0.00 0.00 0.00 178.31 177.44 1n8r h LYS 80 N 0.47 0.81 -0.15 1.11 3.64 0.12 -2.02 116.57 120.54 1n8r h LYS 80 Ca 0.07 -0.62 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1n8r h LYS 80 Cb 0.65 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1n8r h LYS 80 CO 0.05 1.23 0.06 -0.09 -2.27 0.00 0.00 179.45 178.43 1n8r h ARG 81 N 0.55 0.14 -0.85 1.90 9.65 -0.18 -0.16 114.38 125.43 1n8r h ARG 81 Ca -0.04 -0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.03 1n8r h ARG 81 Cb 1.33 -0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 29.76 1n8r h ARG 81 CO 0.15 0.09 0.34 1.15 2.80 0.00 0.00 179.97 184.50 1n8r h THR 82 N 0.15 0.52 -0.41 0.20 2.02 -1.12 0.18 112.91 114.44 1n8r h THR 82 Ca 0.06 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1n8r h THR 82 Cb 0.02 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1n8r h THR 82 CO -0.05 0.07 -0.02 0.40 0.37 0.00 0.00 175.52 176.29 1n8r h ILE 83 N 0.40 1.26 -0.87 3.11 2.04 -0.47 -2.98 117.51 120.01 1n8r h ILE 83 Ca 0.51 -1.07 0.14 0.00 1.00 0.00 0.00 64.86 65.45 1n8r h ILE 83 Cb 0.92 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 1n8r h ILE 83 CO -0.50 0.36 0.56 -0.09 0.00 0.00 0.00 178.15 178.48 1n8r h ARG 84 N 0.57 0.63 0.00 2.37 2.43 0.10 0.19 114.38 120.68 1n8r h ARG 84 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1n8r h ARG 84 Cb 0.52 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1n8r h ARG 84 CO 0.03 0.42 0.00 0.41 -1.51 0.00 0.00 179.97 179.31 1n8r n GLY 85 N -1.45 -0.82 0.84 2.80 0.00 -0.56 -1.97 105.19 104.04 1n8r n GLY 85 Ca 0.17 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1n8r n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n8r n MET 86 N -1.38 2.99 -4.05 1.61 2.81 0.65 -4.97 117.12 114.78 1n8r n MET 86 Ca 0.05 -2.51 -0.12 0.00 -1.81 0.00 0.00 57.70 53.30 1n8r n MET 86 Cb 0.13 -1.61 -0.12 0.00 -0.71 0.00 0.00 33.22 30.91 1n8r n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1n8r s LEU 87 N -1.98 2.22 -1.59 4.03 1.43 -0.83 -4.86 118.68 117.09 1n8r s LEU 87 Ca 0.35 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1n8r s LEU 87 Cb 0.25 -0.11 -0.08 0.00 0.03 0.00 0.00 46.19 46.28 1n8r s LEU 87 CO 0.13 -0.19 2.86 -0.81 0.23 0.00 0.00 176.35 178.57 1n8r n PRO 88 N 1.71 3.56 0.00 1.29 -0.04 -1.26 -4.73 135.00 135.53 1n8r n PRO 88 Ca -0.22 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1n8r n PRO 88 Cb 0.55 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1n8r n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1n8r n HIS 89 N 3.87 0.00 0.33 0.54 1.44 -1.26 -0.86 115.22 119.27 1n8r n HIS 89 Ca 0.75 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.51 1n8r n HIS 89 Cb 0.24 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 1n8r n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1n8r n LYS 90 N -0.71 2.67 -3.14 -1.40 5.02 -1.26 -4.26 118.16 115.08 1n8r n LYS 90 Ca 0.00 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1n8r n LYS 90 Cb 0.00 -1.05 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1n8r n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1n8r s LYS 91 N -2.18 3.92 0.13 1.97 1.02 -0.04 -4.93 119.74 119.63 1n8r s LYS 91 Ca 0.01 0.54 -0.26 0.00 0.02 0.00 0.00 55.97 56.29 1n8r s LYS 91 Cb 0.07 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1n8r s LYS 91 CO 0.42 0.15 1.62 0.37 -0.92 0.00 0.00 175.35 176.99 1n8r h GLN 92 N 2.11 -0.40 -0.32 1.68 4.15 -1.93 -0.50 115.11 119.91 1n8r h GLN 92 Ca -0.48 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.04 1n8r h GLN 92 Cb 1.18 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.90 1n8r h GLN 92 CO 0.66 -0.26 -0.08 -0.09 -1.93 0.00 0.00 178.83 177.12 1n8r h ARG 93 N -0.41 -0.00 -0.44 1.69 2.43 -1.95 -1.04 114.38 114.66 1n8r h ARG 93 Ca 0.08 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1n8r h ARG 93 Cb 0.53 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1n8r h ARG 93 CO -0.31 -0.00 0.03 0.78 -1.51 0.00 0.00 179.97 178.96 1n8r h GLY 94 N -0.00 0.75 1.57 2.80 0.00 -1.58 -0.77 103.07 105.83 1n8r h GLY 94 Ca 0.15 -0.46 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1n8r h GLY 94 CO -0.33 0.43 -0.67 -0.09 0.00 0.00 0.00 176.54 175.88 1n8r h ARG 95 N 0.66 0.43 0.47 4.80 2.43 -0.82 -0.46 114.38 121.89 1n8r h ARG 95 Ca 0.14 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1n8r h ARG 95 Cb 0.37 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1n8r h ARG 95 CO 0.01 0.95 -0.24 0.93 -1.51 0.00 0.00 179.97 180.11 1n8r h GLU 96 N 0.31 -0.63 -0.33 0.20 5.08 -0.77 0.31 114.58 118.74 1n8r h GLU 96 Ca -0.02 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1n8r h GLU 96 Cb 1.22 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1n8r h GLU 96 CO 0.12 -0.42 0.09 0.00 -1.00 0.00 0.00 179.01 177.80 1n8r h ALA 97 N -0.12 0.37 -0.71 3.43 0.00 -1.05 -1.58 119.26 119.59 1n8r h ALA 97 Ca -0.06 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1n8r h ALA 97 Cb 0.51 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1n8r h ALA 97 CO 0.09 -0.31 0.46 0.35 0.00 0.00 0.00 179.25 179.84 1n8r h PHE 98 N 0.22 0.86 0.00 0.00 3.57 -0.95 -1.72 116.94 118.91 1n8r h PHE 98 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1n8r h PHE 98 Cb 0.15 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1n8r h PHE 98 CO -0.16 0.50 0.00 0.93 -2.23 0.00 0.00 178.31 177.35 1n8r h GLU 99 N 0.90 0.00 -0.73 1.11 5.08 -0.45 -1.87 114.58 118.61 1n8r h GLU 99 Ca 0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1n8r h GLU 99 Cb -0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1n8r h GLU 99 CO -0.10 0.00 0.12 -1.13 -1.00 0.00 0.00 179.01 176.90 1n8r n SER 100 N -2.57 4.65 -4.11 1.42 3.41 -0.64 -4.83 113.62 110.96 1n8r n SER 100 Ca 0.02 -2.89 -0.23 0.00 -0.26 0.00 0.00 58.87 55.50 1n8r n SER 100 Cb 0.28 -0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 63.39 1n8r n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1n8r s VAL 101 N -2.52 1.19 -0.06 -3.33 1.01 -0.71 -2.31 120.40 113.68 1n8r s VAL 101 Ca 0.46 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1n8r s VAL 101 Cb 0.36 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1n8r s VAL 101 CO 0.12 0.34 0.15 -0.13 0.00 0.00 0.00 175.10 175.59 1n8r s ARG 102 N -0.16 0.16 0.05 2.72 0.52 -1.01 -4.97 118.95 116.26 1n8r s ARG 102 Ca 0.02 0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.49 1n8r s ARG 102 Cb -0.08 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 1n8r s ARG 102 CO 0.00 -0.05 0.09 0.08 0.02 0.00 0.00 175.30 175.44 1n8r s VAL 103 N 0.31 4.67 0.05 3.52 1.01 -1.26 -0.94 120.40 127.75 1n8r s VAL 103 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1n8r s VAL 103 Cb -0.03 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1n8r s VAL 103 CO -0.01 0.19 -0.05 -0.31 0.00 0.00 0.00 175.10 174.92 1n8r s TYR 104 N -1.34 0.57 -0.11 5.22 1.51 0.11 -4.91 117.35 118.40 1n8r s TYR 104 Ca 0.28 -0.74 -0.20 0.00 -1.01 0.00 0.00 57.07 55.40 1n8r s TYR 104 Cb -0.12 -0.37 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 1n8r s TYR 104 CO 0.20 -0.20 0.55 -0.51 -1.11 0.00 0.00 175.55 174.49 1n8r s LEU 105 N -2.20 4.28 0.00 -1.29 1.43 -1.26 -1.96 118.68 117.68 1n8r s LEU 105 Ca -0.03 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1n8r s LEU 105 Cb -0.02 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1n8r s LEU 105 CO -0.04 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1n8r n GLY 106 N 3.26 0.03 2.78 -3.19 0.00 -1.26 -4.65 105.19 102.16 1n8r n GLY 106 Ca -0.05 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1n8r n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n8r s ASN 107 N -4.00 3.52 0.00 1.61 3.04 -1.26 -0.34 114.94 117.51 1n8r s ASN 107 Ca 0.00 -1.19 0.25 0.00 0.04 0.00 0.00 52.86 51.95 1n8r s ASN 107 Cb 0.00 -0.83 1.25 0.00 -1.54 0.00 0.00 41.25 40.13 1n8r s ASN 107 CO 0.00 -0.33 1.83 -0.81 -3.04 0.00 0.00 177.10 174.75 1n8r n PRO 108 N 4.89 1.28 -2.83 0.43 -0.04 -1.26 -4.87 135.00 132.60 1n8r n PRO 108 Ca -0.07 -0.41 -0.21 0.00 -0.04 0.00 0.00 63.50 62.78 1n8r n PRO 108 Cb 0.45 -1.41 0.06 0.00 -0.04 0.00 0.00 33.50 32.56 1n8r n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1n8r s TYR 109 N -1.96 1.96 -0.20 0.54 1.51 -1.26 -5.04 117.35 112.91 1n8r s TYR 109 Ca 0.36 -0.41 -0.12 0.00 -1.01 0.00 0.00 57.07 55.90 1n8r s TYR 109 Cb 0.18 -2.57 -0.20 0.00 -0.11 0.00 0.00 41.96 39.26 1n8r s TYR 109 CO 0.29 -1.14 0.10 -0.25 -1.11 0.00 0.00 175.55 173.44 1n8r n ASP 110 N -2.37 1.99 -4.76 2.29 8.00 -1.26 -4.92 116.55 115.52 1n8r n ASP 110 Ca 0.13 0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.51 1n8r n ASP 110 Cb 0.60 -0.82 0.01 0.00 -0.02 0.00 0.00 41.12 40.90 1n8r n ASP 110 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n8r s GLU 111 N -2.48 3.36 -0.13 -1.24 2.02 -1.26 -4.98 118.70 113.99 1n8r s GLU 111 Ca -0.29 1.87 -0.23 0.00 0.02 0.00 0.00 54.97 56.33 1n8r s GLU 111 Cb 0.08 -2.20 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 1n8r s GLU 111 CO 0.64 -0.90 0.71 -0.51 0.02 0.00 0.00 175.26 175.22 1n8r s ASP 112 N -1.38 6.90 1.06 -0.19 1.11 -1.26 -5.03 116.67 117.88 1n8r s ASP 112 Ca 0.70 1.09 -0.14 0.00 0.18 0.00 0.00 52.55 54.38 1n8r s ASP 112 Cb -0.31 -2.40 0.15 0.00 1.07 0.00 0.00 42.92 41.43 1n8r s ASP 112 CO 0.36 -0.23 0.60 0.61 1.18 0.00 0.00 175.17 177.69 1n8r n GLY 113 N 3.38 -1.87 3.95 0.21 0.00 -1.26 -4.99 105.19 104.61 1n8r n GLY 113 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.92 1n8r n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8r s GLU 114 N -3.98 3.24 -0.26 1.61 -1.05 0.23 -4.49 118.70 113.99 1n8r s GLU 114 Ca 0.62 -0.51 -0.07 0.00 -0.15 0.00 0.00 54.97 54.86 1n8r s GLU 114 Cb -0.20 -2.64 -0.02 0.00 -0.44 0.00 0.00 34.13 30.83 1n8r s GLU 114 CO 0.65 -0.05 0.07 0.08 0.95 0.00 0.00 175.26 176.96 1n8r s VAL 115 N -2.40 4.18 0.45 1.83 1.01 -1.26 -0.89 120.40 123.32 1n8r s VAL 115 Ca 0.44 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 1n8r s VAL 115 Cb -0.10 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.19 1n8r s VAL 115 CO 0.36 0.26 1.15 -0.76 0.00 0.00 0.00 175.10 176.11 1n8r s LEU 116 N 1.58 4.04 0.37 3.92 1.43 -1.26 -4.98 118.68 123.78 1n8r s LEU 116 Ca 0.05 2.27 -0.28 0.00 -1.03 0.00 0.00 54.13 55.14 1n8r s LEU 116 Cb -0.16 -4.22 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 1n8r s LEU 116 CO 0.03 -0.84 1.40 -1.81 0.23 0.00 0.00 176.35 175.36 1n8r s ASP 117 N -1.38 6.47 -1.34 2.29 1.01 -1.26 -3.24 116.67 119.22 1n8r s ASP 117 Ca 0.62 2.88 0.00 0.00 0.71 0.00 0.00 52.55 56.76 1n8r s ASP 117 Cb -0.28 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 40.99 1n8r s ASP 117 CO 0.34 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1n8r n GLY 118 N 0.61 -0.06 0.00 0.21 0.00 -1.26 -4.86 105.19 99.82 1n8r n GLY 118 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1n8r n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n8r n THR 119 N -3.85 0.00 -2.74 2.61 -2.24 -1.20 -4.95 114.28 101.91 1n8r n THR 119 Ca -0.18 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 60.88 1n8r n THR 119 Cb 0.62 0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 1n8r n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1n8r s SER 120 N -1.07 7.27 -0.14 3.42 0.15 -1.26 0.54 113.70 122.61 1n8r s SER 120 Ca 0.00 1.88 -0.01 0.00 0.70 0.00 0.00 55.95 58.52 1n8r s SER 120 Cb 0.00 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1n8r s SER 120 CO 0.00 -0.12 -0.11 -0.22 1.20 0.00 0.00 173.24 173.99 1n8r s LEU 121 N -2.10 2.81 -0.72 3.45 2.96 0.43 -4.81 118.68 120.69 1n8r s LEU 121 Ca 0.51 -0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 53.88 1n8r s LEU 121 Cb -0.19 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 44.91 1n8r s LEU 121 CO 0.25 0.16 1.11 -0.62 -1.32 0.00 0.00 176.35 175.93 1n8r s ASP 122 N 0.38 6.20 0.40 3.68 -1.08 -1.26 -4.89 116.67 120.10 1n8r s ASP 122 Ca -0.09 -0.85 0.18 0.00 -0.52 0.00 0.00 52.55 51.27 1n8r s ASP 122 Cb -0.16 -2.48 1.09 0.00 -1.46 0.00 0.00 42.92 39.92 1n8r s ASP 122 CO 0.05 -1.58 1.78 0.03 0.52 0.00 0.00 175.17 175.97 1n8r h ARG 123 N 9.72 0.39 -0.02 4.34 3.08 -1.95 0.87 114.38 130.81 1n8r h ARG 123 Ca -0.25 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1n8r h ARG 123 Cb 1.06 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1n8r h ARG 123 CO 1.23 0.26 -0.23 -0.07 -1.07 0.00 0.00 179.97 180.09 1n8r h LEU 124 N 0.41 0.04 -3.27 3.04 3.38 -2.06 -2.84 115.31 114.01 1n8r h LEU 124 Ca 0.58 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.44 1n8r h LEU 124 Cb 1.46 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.13 1n8r h LEU 124 CO -0.28 0.27 -0.08 -1.54 0.09 0.00 0.00 178.44 176.90 1n8r n SER 125 N -4.25 2.78 -3.66 -0.43 3.41 0.23 -4.94 113.62 106.76 1n8r n SER 125 Ca -0.02 -3.52 -0.09 0.00 -0.26 0.00 0.00 58.87 54.98 1n8r n SER 125 Cb 0.29 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 1n8r n SER 125 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1n8r s ASN 126 N -2.46 -0.19 -0.07 4.04 0.01 -0.78 -4.97 114.94 110.52 1n8r s ASN 126 Ca 0.42 0.94 0.06 0.00 -0.71 0.00 0.00 52.86 53.58 1n8r s ASN 126 Cb 0.37 1.25 -0.09 0.00 0.41 0.00 0.00 41.25 43.19 1n8r s ASN 126 CO 0.02 -0.23 0.04 -0.38 -1.51 0.00 0.00 177.10 175.03 1n8r n ILE 127 N 5.33 0.46 -3.12 0.60 5.41 -1.26 -4.65 119.36 122.12 1n8r n ILE 127 Ca -0.09 -0.29 -0.45 0.00 1.00 0.00 0.00 62.75 62.91 1n8r n ILE 127 Cb 0.50 -0.73 -0.02 0.00 -0.71 0.00 0.00 39.64 38.68 1n8r n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1n8r s LYS 128 N -2.20 3.67 0.19 0.38 1.02 -1.26 -4.93 119.74 116.60 1n8r s LYS 128 Ca -0.03 -2.19 -0.24 0.00 0.02 0.00 0.00 55.97 53.53 1n8r s LYS 128 Cb 0.02 -4.70 0.06 0.00 -0.52 0.00 0.00 37.83 32.69 1n8r s LYS 128 CO 0.30 -1.54 0.92 -0.59 -0.92 0.00 0.00 175.35 173.52 1n8r s PHE 129 N 1.33 -0.11 0.05 3.18 -0.12 -1.16 -1.50 117.98 119.66 1n8r s PHE 129 Ca 0.27 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 56.86 1n8r s PHE 129 Cb -0.07 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.97 1n8r s PHE 129 CO -0.09 -0.94 0.06 0.08 -0.05 0.00 0.00 175.22 174.29 1n8r s VAL 130 N -3.25 0.16 -0.04 -2.49 1.01 -0.77 -4.82 120.40 110.20 1n8r s VAL 130 Ca 0.13 -1.35 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 1n8r s VAL 130 Cb -0.02 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1n8r s VAL 130 CO 0.04 -0.75 0.40 -0.89 0.00 0.00 0.00 175.10 173.91 1n8r s THR 131 N -3.26 5.09 0.30 3.92 2.01 -1.26 -1.80 115.64 120.63 1n8r s THR 131 Ca 0.01 0.82 0.04 0.00 0.31 0.00 0.00 61.69 62.87 1n8r s THR 131 Cb 0.03 -3.72 0.30 0.00 0.01 0.00 0.00 72.50 69.12 1n8r s THR 131 CO -0.08 0.52 1.82 -0.07 -0.69 0.00 0.00 174.62 176.12 1n8r h LEU 132 N 5.22 0.85 -0.81 4.42 3.38 -1.51 0.81 115.31 127.67 1n8r h LEU 132 Ca -0.49 0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.62 1n8r h LEU 132 Cb 1.21 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1n8r h LEU 132 CO 0.65 0.39 0.48 1.23 0.09 0.00 0.00 178.44 181.28 1n8r h GLY 133 N 0.88 1.24 0.96 0.83 0.00 -1.51 0.10 103.07 105.56 1n8r h GLY 133 Ca 0.52 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.52 1n8r h GLY 133 CO -0.30 0.18 0.17 0.83 0.00 0.00 0.00 176.54 177.41 1n8r h GLU 134 N 0.83 0.41 -0.45 4.80 5.08 -1.15 -0.82 114.58 123.28 1n8r h GLU 134 Ca 0.37 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 1n8r h GLU 134 Cb 0.27 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1n8r h GLU 134 CO -0.21 0.34 0.18 0.82 -1.00 0.00 0.00 179.01 179.14 1n8r h ILE 135 N 0.36 0.89 -0.70 3.13 2.04 -0.35 -1.92 117.51 120.96 1n8r h ILE 135 Ca 0.10 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1n8r h ILE 135 Cb 0.05 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1n8r h ILE 135 CO -0.02 0.07 0.37 0.28 0.00 0.00 0.00 178.15 178.85 1n8r h SER 136 N 0.36 0.87 -0.66 1.72 0.02 -0.58 0.04 113.55 115.31 1n8r h SER 136 Ca 0.21 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1n8r h SER 136 Cb 0.18 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1n8r h SER 136 CO -0.19 0.71 0.21 -0.33 -1.14 0.00 0.00 176.83 176.08 1n8r h GLU 137 N 0.98 1.05 -0.24 3.45 5.08 -0.50 0.20 114.58 124.60 1n8r h GLU 137 Ca 0.25 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1n8r h GLU 137 Cb 0.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1n8r h GLU 137 CO -0.04 0.90 -0.10 1.15 -1.00 0.00 0.00 179.01 179.92 1n8r h THR 138 N 1.01 1.30 0.00 1.13 2.02 -0.77 -2.63 112.91 114.96 1n8r h THR 138 Ca 0.22 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1n8r h THR 138 Cb 0.30 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1n8r h THR 138 CO -0.01 0.36 0.00 -0.07 0.37 0.00 0.00 175.52 176.17 1n8r h LEU 139 N 0.22 0.00 0.00 2.58 3.38 -0.76 -3.45 115.31 117.28 1n8r h LEU 139 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1n8r h LEU 139 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1n8r h LEU 139 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1n8r n GLY 140 N -1.13 0.73 3.24 0.83 0.00 -0.90 -5.09 105.19 102.89 1n8r n GLY 140 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1n8r n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r n ALA 141 N -1.28 -4.37 -2.66 4.61 0.00 0.67 -4.93 120.51 112.54 1n8r n ALA 141 Ca 0.00 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 51.71 1n8r n ALA 141 Cb 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.92 1n8r n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1n8r s ASN 142 N -1.74 5.98 -0.85 0.00 3.84 -1.26 -4.75 114.94 116.15 1n8r s ASN 142 Ca 0.54 -1.01 -0.25 0.00 0.21 0.00 0.00 52.86 52.35 1n8r s ASN 142 Cb -0.09 -2.11 -0.17 0.00 -0.55 0.00 0.00 41.25 38.33 1n8r s ASN 142 CO 0.66 -0.46 2.31 1.17 -2.79 0.00 0.00 177.10 177.99 1n8r n LYS 143 N 5.10 0.41 -0.87 0.43 4.81 -1.26 -4.64 118.16 122.14 1n8r n LYS 143 Ca -0.11 -0.98 -0.07 0.00 -0.87 0.00 0.00 58.31 56.28 1n8r n LYS 143 Cb 0.46 -3.53 0.24 0.00 0.02 0.00 0.00 35.03 32.22 1n8r n LYS 143 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1n8r n THR 144 N 8.59 2.53 -0.91 3.15 5.66 -1.26 -5.22 114.28 126.81 1n8r n THR 144 Ca 0.46 -1.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.11 1n8r n THR 144 Cb 0.42 -0.45 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1n8r n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35