#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8r s GLN 2 N 0.00 3.16 -0.18 2.12 1.03 -1.26 -0.97 119.66 123.56 1n8r s GLN 2 Ca 0.00 -0.55 0.01 0.00 0.04 0.00 0.00 55.36 54.85 1n8r s GLN 2 Cb 0.00 -2.89 0.04 0.00 0.03 0.00 0.00 33.01 30.19 1n8r s GLN 2 CO 0.00 0.59 -0.10 0.00 -2.54 0.00 0.00 175.29 173.24 1n8r s ALA 3 N -1.43 1.88 -0.57 2.60 0.00 0.33 -4.66 121.76 119.91 1n8r s ALA 3 Ca 0.31 -1.07 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 1n8r s ALA 3 Cb -0.13 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.82 1n8r s ALA 3 CO 0.24 -0.72 1.16 0.99 0.00 0.00 0.00 175.76 177.44 1n8r s THR 4 N 1.46 4.07 0.21 0.00 2.01 -1.26 -0.84 115.64 121.28 1n8r s THR 4 Ca 0.00 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1n8r s THR 4 Cb -0.15 -4.70 -0.08 0.00 0.01 0.00 0.00 72.50 67.57 1n8r s THR 4 CO -0.09 -1.30 1.22 -0.63 -0.69 0.00 0.00 174.62 173.13 1n8r s ILE 5 N 4.82 3.43 -0.01 1.82 1.01 -1.15 -4.37 121.20 126.74 1n8r s ILE 5 Ca 0.42 1.23 0.05 0.00 0.00 0.00 0.00 60.65 62.34 1n8r s ILE 5 Cb -0.08 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1n8r s ILE 5 CO 0.25 0.21 -0.15 -0.31 0.00 0.00 0.00 174.94 174.94 1n8r s TYR 6 N -0.19 2.68 0.69 3.97 1.51 -0.92 -1.12 117.35 123.97 1n8r s TYR 6 Ca 0.53 -0.18 -0.05 0.00 -1.01 0.00 0.00 57.07 56.36 1n8r s TYR 6 Cb -0.34 -1.57 0.08 0.00 -0.11 0.00 0.00 41.96 40.01 1n8r s TYR 6 CO 0.38 0.23 0.98 0.16 -1.11 0.00 0.00 175.55 176.19 1n8r s ASP 7 N -1.04 4.71 0.00 2.29 -4.77 -0.92 -1.34 116.67 115.60 1n8r s ASP 7 Ca 0.13 0.20 0.00 0.00 -3.30 0.00 0.00 52.55 49.58 1n8r s ASP 7 Cb -0.11 -0.81 0.00 0.00 -1.09 0.00 0.00 42.92 40.91 1n8r s ASP 7 CO 0.03 -1.62 0.36 0.18 0.70 0.00 0.00 175.17 174.82 1n8r n LEU 8 N -2.84 0.03 -0.00 2.11 4.77 -1.26 -0.85 117.00 118.96 1n8r n LEU 8 Ca 0.10 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.11 1n8r n LEU 8 Cb 0.60 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1n8r n LEU 8 CO 0.48 0.01 -0.50 0.47 -1.33 0.00 0.00 177.39 176.53 1n8r n ASP 9 N -0.43 2.20 0.00 -1.43 8.00 -1.26 -4.78 116.55 118.84 1n8r n ASP 9 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1n8r n ASP 9 Cb 0.01 1.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 1n8r n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n8r n GLY 10 N 1.78 0.98 3.81 0.44 0.00 -0.03 -4.88 105.19 107.28 1n8r n GLY 10 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1n8r n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n8r s ASN 11 N -2.01 6.42 0.48 1.61 0.01 -1.26 -4.83 114.94 115.37 1n8r s ASN 11 Ca 0.00 0.50 -0.21 0.00 -0.71 0.00 0.00 52.86 52.43 1n8r s ASN 11 Cb 0.00 -2.12 -0.10 0.00 0.41 0.00 0.00 41.25 39.44 1n8r s ASN 11 CO 0.00 0.28 0.72 0.35 -1.51 0.00 0.00 177.10 176.94 1n8r n THR 12 N 2.64 2.32 -2.91 1.60 -2.24 -1.26 -2.16 114.28 112.27 1n8r n THR 12 Ca -0.16 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 60.98 1n8r n THR 12 Cb 0.53 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1n8r n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1n8r n ASP 13 N 0.61 -1.43 0.00 3.42 -0.08 -0.27 -4.80 116.55 114.00 1n8r n ASP 13 Ca 0.11 -3.25 0.00 0.00 -1.51 0.00 0.00 54.79 50.14 1n8r n ASP 13 Cb 0.42 0.92 0.00 0.00 2.34 0.00 0.00 41.12 44.80 1n8r n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n8r n GLY 14 N 0.95 -1.73 3.60 0.27 0.00 -1.26 -4.69 105.19 102.32 1n8r n GLY 14 Ca 0.13 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1n8r n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8r s GLU 15 N 0.00 0.43 0.32 1.61 -1.05 -1.26 -2.95 118.70 115.80 1n8r s GLU 15 Ca 0.00 0.13 0.10 0.00 -0.15 0.00 0.00 54.97 55.04 1n8r s GLU 15 Cb 0.00 0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.83 1n8r s GLU 15 CO 0.00 -0.13 -0.11 0.08 0.95 0.00 0.00 175.26 176.05 1n8r s VAL 16 N -1.00 2.23 0.02 1.83 1.01 -0.02 -4.88 120.40 119.60 1n8r s VAL 16 Ca 0.02 -2.24 -0.30 0.00 0.00 0.00 0.00 61.98 59.45 1n8r s VAL 16 Cb -0.01 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1n8r s VAL 16 CO -0.02 -0.26 1.20 -1.81 0.00 0.00 0.00 175.10 174.21 1n8r s ASP 17 N -3.57 7.07 -0.24 3.32 1.01 -1.26 0.12 116.67 123.13 1n8r s ASP 17 Ca 0.32 1.95 -0.29 0.00 0.71 0.00 0.00 52.55 55.23 1n8r s ASP 17 Cb 0.01 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1n8r s ASP 17 CO 0.16 -0.50 1.47 -0.22 0.21 0.00 0.00 175.17 176.28 1n8r s LEU 18 N 1.44 3.93 0.74 1.23 2.96 -0.14 -4.83 118.68 124.01 1n8r s LEU 18 Ca 0.58 1.50 -0.16 0.00 -0.22 0.00 0.00 54.13 55.83 1n8r s LEU 18 Cb -0.28 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.84 1n8r s LEU 18 CO 0.27 -1.14 0.50 -0.81 -1.32 0.00 0.00 176.35 173.85 1n8r n PRO 19 N 7.42 0.24 -0.28 0.98 -0.04 -1.26 -4.06 135.00 138.00 1n8r n PRO 19 Ca 0.17 0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1n8r n PRO 19 Cb 0.46 -1.82 0.21 0.00 -0.04 0.00 0.00 33.50 32.31 1n8r n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1n8r h ASP 20 N -0.49 0.48 -1.04 3.54 3.32 -1.92 -2.74 116.42 117.57 1n8r h ASP 20 Ca -0.45 0.09 0.29 0.00 0.02 0.00 0.00 57.03 56.98 1n8r h ASP 20 Cb 1.34 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.86 1n8r h ASP 20 CO 0.42 0.21 0.73 -0.37 -1.72 0.00 0.00 179.24 178.50 1n8r h VAL 21 N 0.59 0.50 0.00 -1.35 -1.51 -1.90 0.77 116.25 113.35 1n8r h VAL 21 Ca 0.44 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1n8r h VAL 21 Cb 0.61 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1n8r h VAL 21 CO -0.36 0.02 0.00 0.49 -1.23 0.00 0.00 177.57 176.49 1n8r n PHE 22 N -4.32 0.00 0.59 5.19 3.01 -1.03 -0.95 117.46 119.94 1n8r n PHE 22 Ca 0.23 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.76 1n8r n PHE 22 Cb 1.04 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.54 1n8r n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1n8r n GLU 23 N -0.86 1.43 -1.74 -1.08 1.02 0.27 -4.58 120.64 115.10 1n8r n GLU 23 Ca 0.09 -1.01 -0.42 0.00 -0.02 0.00 0.00 57.16 55.80 1n8r n GLU 23 Cb 0.04 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1n8r n GLU 23 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1n8r n THR 24 N 0.28 0.84 -1.73 2.62 -1.04 -0.12 -4.87 114.28 110.26 1n8r n THR 24 Ca 0.07 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.45 1n8r n THR 24 Cb 0.31 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 1n8r n THR 24 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1n8r s PRO 25 N -0.20 4.12 -0.00 -2.82 0.04 -1.26 -4.75 135.00 130.13 1n8r s PRO 25 Ca 0.66 2.61 -0.30 0.00 0.04 0.00 0.00 61.00 64.01 1n8r s PRO 25 Cb -0.49 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 30.91 1n8r s PRO 25 CO 0.45 -0.76 1.65 0.08 0.04 0.00 0.00 177.00 178.46 1n8r s VAL 26 N 1.20 3.39 -0.66 -0.36 1.01 -1.26 -4.75 120.40 118.97 1n8r s VAL 26 Ca 0.75 0.64 0.05 0.00 0.00 0.00 0.00 61.98 63.41 1n8r s VAL 26 Cb -0.50 -3.41 0.16 0.00 0.00 0.00 0.00 36.38 32.64 1n8r s VAL 26 CO 0.32 -0.03 0.46 -0.60 0.00 0.00 0.00 175.10 175.24 1n8r s ARG 27 N 3.46 2.28 0.62 2.72 6.06 -1.26 -4.96 118.95 127.88 1n8r s ARG 27 Ca 0.73 -3.16 0.33 0.00 -2.50 0.00 0.00 55.73 51.14 1n8r s ARG 27 Cb -0.36 -3.24 1.89 0.00 0.06 0.00 0.00 34.95 33.30 1n8r s ARG 27 CO 0.31 -1.27 2.17 0.66 -2.50 0.00 0.00 175.30 174.66 1n8r h SER 28 N 5.55 0.00 -0.15 -2.12 4.64 -1.95 -1.90 113.55 117.61 1n8r h SER 28 Ca 0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1n8r h SER 28 Cb 0.78 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1n8r h SER 28 CO 0.69 0.00 -0.10 -2.24 -0.87 0.00 0.00 176.83 174.31 1n8r h ASP 29 N 0.00 0.35 -0.29 4.97 2.03 -1.94 -1.54 116.42 120.00 1n8r h ASP 29 Ca 0.04 -0.44 -0.08 0.00 -0.73 0.00 0.00 57.03 55.82 1n8r h ASP 29 Cb 0.31 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.69 1n8r h ASP 29 CO -0.00 0.71 -0.09 -0.07 -1.03 0.00 0.00 179.24 178.76 1n8r h LEU 30 N -0.01 0.68 -0.12 0.15 3.38 -1.77 -1.86 115.31 115.77 1n8r h LEU 30 Ca 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1n8r h LEU 30 Cb 0.59 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1n8r h LEU 30 CO 0.03 0.81 0.04 0.40 0.09 0.00 0.00 178.44 179.80 1n8r h ILE 31 N 0.64 1.17 -1.00 1.22 2.04 -1.43 -1.71 117.51 118.43 1n8r h ILE 31 Ca 0.11 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.55 1n8r h ILE 31 Cb 0.53 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 37.84 1n8r h ILE 31 CO 0.03 0.16 0.64 1.23 0.00 0.00 0.00 178.15 180.21 1n8r h GLY 32 N 0.01 1.60 1.49 5.37 0.00 -1.01 -0.59 103.07 109.94 1n8r h GLY 32 Ca 0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 1n8r h GLY 32 CO -0.00 0.22 -0.24 1.70 0.00 0.00 0.00 176.54 178.21 1n8r h LYS 33 N 1.05 0.59 -0.21 4.80 3.64 -1.03 -0.79 116.57 124.62 1n8r h LYS 33 Ca 0.48 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 1n8r h LYS 33 Cb 0.39 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1n8r h LYS 33 CO -0.23 0.78 -0.47 0.00 -2.27 0.00 0.00 179.45 177.26 1n8r h ALA 34 N 1.22 0.78 -0.14 5.00 0.00 -0.22 -1.74 119.26 124.17 1n8r h ALA 34 Ca 0.07 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1n8r h ALA 34 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1n8r h ALA 34 CO 0.05 0.66 -0.38 0.28 0.00 0.00 0.00 179.25 179.87 1n8r h VAL 35 N 0.44 1.36 -0.33 0.00 2.07 -1.14 -1.78 116.25 116.87 1n8r h VAL 35 Ca 0.03 -1.67 0.07 0.00 0.82 0.00 0.00 66.70 65.95 1n8r h VAL 35 Cb 0.99 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.75 1n8r h VAL 35 CO 0.09 0.50 -0.15 -0.09 0.02 0.00 0.00 177.57 177.94 1n8r h ARG 36 N 0.11 -0.09 -0.22 1.57 2.43 -1.08 0.11 114.38 117.20 1n8r h ARG 36 Ca -0.01 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1n8r h ARG 36 Cb 0.99 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1n8r h ARG 36 CO 0.08 -0.06 0.13 0.00 -1.51 0.00 0.00 179.97 178.61 1n8r h ALA 37 N 1.17 0.28 -0.07 2.80 0.00 -1.28 -1.15 119.26 121.01 1n8r h ALA 37 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1n8r h ALA 37 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n8r h ALA 37 CO -0.39 -0.27 -0.19 0.00 0.00 0.00 0.00 179.25 178.40 1n8r h ALA 38 N 1.10 1.56 -0.03 0.00 0.00 -0.55 -1.03 119.26 120.30 1n8r h ALA 38 Ca 0.09 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1n8r h ALA 38 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1n8r h ALA 38 CO -0.04 0.32 -0.81 1.96 0.00 0.00 0.00 179.25 180.69 1n8r h GLN 39 N 0.11 0.30 -0.06 0.00 4.20 -0.35 -3.27 115.11 116.05 1n8r h GLN 39 Ca 0.02 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1n8r h GLN 39 Cb 0.40 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1n8r h GLN 39 CO 0.03 0.96 -0.17 0.00 -0.67 0.00 0.00 178.83 178.98 1n8r h ALA 40 N 0.95 0.10 0.00 3.87 0.00 -0.81 -3.24 119.26 120.13 1n8r h ALA 40 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1n8r h ALA 40 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1n8r h ALA 40 CO 0.13 0.04 0.17 -0.91 0.00 0.00 0.00 179.25 178.68 1n8r h ASN 41 N -0.28 0.00 -0.13 0.00 2.35 -1.25 -0.67 115.58 115.60 1n8r h ASN 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n8r h ASN 41 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1n8r h ASN 41 CO 0.04 0.00 0.00 -2.11 -1.65 0.00 0.00 177.43 173.71 1n8r n ARG 42 N -2.37 2.19 -2.41 0.81 1.85 -1.22 -4.93 116.66 110.57 1n8r n ARG 42 Ca -0.01 -1.94 -0.36 0.00 -1.00 0.00 0.00 57.85 54.53 1n8r n ARG 42 Cb 0.20 -1.44 -0.02 0.00 -1.05 0.00 0.00 32.46 30.15 1n8r n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1n8r s LYS 43 N -1.72 3.81 0.09 2.89 3.01 -0.26 -5.03 119.74 122.52 1n8r s LYS 43 Ca 0.29 1.57 -0.03 0.00 -1.01 0.00 0.00 55.97 56.79 1n8r s LYS 43 Cb 0.19 -2.30 -0.05 0.00 -1.01 0.00 0.00 37.83 34.67 1n8r s LYS 43 CO 0.28 -0.46 0.29 -0.65 0.51 0.00 0.00 175.35 175.33 1n8r s GLN 44 N -2.88 3.54 0.29 1.68 -0.21 -1.26 -5.02 119.66 115.81 1n8r s GLN 44 Ca 0.65 -0.22 -0.29 0.00 0.02 0.00 0.00 55.36 55.51 1n8r s GLN 44 Cb -0.23 -2.96 -0.09 0.00 1.00 0.00 0.00 33.01 30.72 1n8r s GLN 44 CO 0.28 0.55 1.09 -0.51 -2.12 0.00 0.00 175.29 174.58 1n8r s ASP 45 N -2.34 7.20 0.08 5.90 -0.00 -1.26 -5.05 116.67 121.20 1n8r s ASP 45 Ca 0.36 2.24 0.01 0.00 -0.00 0.00 0.00 52.55 55.16 1n8r s ASP 45 Cb -0.13 -2.62 -0.00 0.00 -0.00 0.00 0.00 42.92 40.17 1n8r s ASP 45 CO 0.24 -0.19 0.09 0.00 -0.00 0.00 0.00 175.17 175.32 1n8r n TYR 46 N 1.03 -0.46 0.00 4.23 0.18 -1.26 -4.99 117.16 115.89 1n8r n TYR 46 Ca -0.00 -0.59 0.00 0.00 1.88 0.00 0.00 57.90 59.19 1n8r n TYR 46 Cb 0.45 0.10 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 1n8r n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1n8r n GLY 47 N -0.14 3.72 3.90 -7.48 0.00 -1.26 -1.44 105.19 102.49 1n8r n GLY 47 Ca 0.01 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 1n8r n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n8r s SER 48 N 0.00 4.72 0.31 1.61 1.04 -1.12 -4.88 113.70 115.38 1n8r s SER 48 Ca 0.00 0.83 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 1n8r s SER 48 Cb 0.00 -1.39 -0.11 0.00 0.10 0.00 0.00 66.02 64.61 1n8r s SER 48 CO 0.00 -1.77 1.57 -0.62 0.98 0.00 0.00 173.24 173.41 1n8r s ASP 49 N -4.53 6.37 0.31 7.02 -1.08 -1.26 -4.88 116.67 118.62 1n8r s ASP 49 Ca 0.61 2.97 0.02 0.00 -0.52 0.00 0.00 52.55 55.62 1n8r s ASP 49 Cb -0.11 -2.64 0.57 0.00 -1.46 0.00 0.00 42.92 39.28 1n8r s ASP 49 CO 0.49 -0.90 1.90 -0.33 0.52 0.00 0.00 175.17 176.85 1n8r h GLU 50 N 4.52 0.95 -0.16 4.34 4.39 -1.99 -2.88 114.58 123.75 1n8r h GLU 50 Ca -0.48 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1n8r h GLU 50 Cb 1.22 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1n8r h GLU 50 CO 0.77 0.63 0.00 0.66 -1.16 0.00 0.00 179.01 179.91 1n8r n TYR 51 N -4.51 0.19 -1.64 4.33 4.02 -1.26 -4.94 117.16 113.35 1n8r n TYR 51 Ca 0.14 -0.10 -0.47 0.00 -0.01 0.00 0.00 57.90 57.46 1n8r n TYR 51 Cb 0.24 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.51 1n8r n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n8r n ALA 52 N 0.88 1.08 -0.24 -0.72 0.00 -1.09 -0.67 120.51 119.75 1n8r n ALA 52 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1n8r n ALA 52 Cb 0.48 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1n8r n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 53 N 4.85 1.14 0.35 0.00 0.00 -1.26 -4.24 105.19 106.03 1n8r n GLY 53 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 1n8r n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n8r n LEU 54 N 0.00 1.63 -3.90 0.99 4.77 0.15 -3.65 117.00 116.99 1n8r n LEU 54 Ca 0.00 -0.73 -0.42 0.00 -0.03 0.00 0.00 56.01 54.83 1n8r n LEU 54 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1n8r n LEU 54 CO 0.00 0.32 2.52 0.54 -1.33 0.00 0.00 177.39 179.44 1n8r n ARG 55 N -0.27 2.87 -3.60 3.23 1.74 -1.24 -4.81 116.66 114.58 1n8r n ARG 55 Ca 0.07 -2.71 -0.06 0.00 -0.77 0.00 0.00 57.85 54.38 1n8r n ARG 55 Cb 0.37 -3.32 -0.04 0.00 -1.02 0.00 0.00 32.46 28.44 1n8r n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1n8r s THR 56 N 3.53 0.00 -0.31 0.55 -1.32 -1.26 -5.03 115.64 111.80 1n8r s THR 56 Ca 0.49 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.08 1n8r s THR 56 Cb 0.12 -1.00 0.76 0.00 -1.51 0.00 0.00 72.50 70.86 1n8r s THR 56 CO -0.05 0.00 1.74 -0.81 -2.21 0.00 0.00 174.62 173.29 1n8r n PRO 57 N 0.48 4.17 -1.50 7.08 -0.04 -1.26 -5.01 135.00 138.92 1n8r n PRO 57 Ca -0.05 -2.99 -0.42 0.00 -0.04 0.00 0.00 63.50 60.00 1n8r n PRO 57 Cb 0.58 -2.22 0.01 0.00 -0.04 0.00 0.00 33.50 31.83 1n8r n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n8r n ALA 58 N 0.21 -1.07 -2.45 0.55 0.00 -1.26 -4.98 120.51 111.52 1n8r n ALA 58 Ca 0.34 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 1n8r n ALA 58 Cb 1.27 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 1n8r n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1n8r s GLU 59 N -1.67 0.58 -0.20 0.00 2.02 -0.60 -4.70 118.70 114.13 1n8r s GLU 59 Ca 0.63 -1.03 -0.16 0.00 0.02 0.00 0.00 54.97 54.44 1n8r s GLU 59 Cb -0.61 0.00 -0.04 0.00 0.10 0.00 0.00 34.13 33.58 1n8r s GLU 59 CO 0.58 -0.05 0.38 0.45 0.02 0.00 0.00 175.26 176.64 1n8r s SER 60 N -2.38 6.43 0.49 -0.19 0.15 -1.26 -0.16 113.70 116.77 1n8r s SER 60 Ca -0.00 0.50 0.33 0.00 0.70 0.00 0.00 55.95 57.48 1n8r s SER 60 Cb 0.00 -2.22 1.68 0.00 -1.71 0.00 0.00 66.02 63.77 1n8r s SER 60 CO -0.05 -0.06 2.00 -0.26 1.20 0.00 0.00 173.24 176.07 1n8r h PHE 61 N 7.33 0.00 0.00 3.44 -1.00 -1.91 -3.48 116.94 121.31 1n8r h PHE 61 Ca -0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.42 1n8r h PHE 61 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1n8r h PHE 61 CO 0.67 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.78 1n8r n GLY 62 N -0.84 -1.51 3.83 -1.45 0.00 -1.26 -4.90 105.19 99.05 1n8r n GLY 62 Ca -0.01 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1n8r n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n8r s SER 63 N -4.00 4.07 0.00 1.61 0.01 -1.26 -4.60 113.70 109.53 1n8r s SER 63 Ca 0.00 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.23 1n8r s SER 63 Cb 0.00 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1n8r s SER 63 CO 0.00 -2.20 0.00 0.61 0.41 0.00 0.00 173.24 172.06 1n8r n GLY 64 N -2.57 1.73 0.84 3.44 0.00 -1.26 -4.93 105.19 102.44 1n8r n GLY 64 Ca 0.07 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.71 1n8r n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n8r n ARG 65 N 0.00 2.04 -3.00 1.61 1.85 -1.26 -4.95 116.66 112.95 1n8r n ARG 65 Ca 0.00 -3.00 -0.22 0.00 -1.00 0.00 0.00 57.85 53.63 1n8r n ARG 65 Cb 0.00 -1.75 0.02 0.00 -1.05 0.00 0.00 32.46 29.68 1n8r n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n8r n GLY 66 N -0.99 -0.51 3.38 2.89 0.00 -1.26 -4.98 105.19 103.72 1n8r n GLY 66 Ca 0.25 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 1n8r n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n8r s GLN 67 N -5.67 1.38 0.38 1.61 0.74 -1.26 -5.11 119.66 111.73 1n8r s GLN 67 Ca 0.28 -1.39 -0.25 0.00 0.05 0.00 0.00 55.36 54.05 1n8r s GLN 67 Cb -0.13 -1.74 -0.09 0.00 1.10 0.00 0.00 33.01 32.15 1n8r s GLN 67 CO 0.34 0.39 1.06 0.00 -0.55 0.00 0.00 175.29 176.54 1n8r s ALA 68 N -1.39 3.14 -0.91 1.58 0.00 -1.26 -4.86 121.76 118.06 1n8r s ALA 68 Ca 0.15 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.62 1n8r s ALA 68 Cb -0.09 -3.29 -0.17 0.00 0.00 0.00 0.00 23.12 19.58 1n8r s ALA 68 CO 0.07 -0.23 1.92 0.72 0.00 0.00 0.00 175.76 178.24 1n8r n HIS 69 N 0.15 1.88 -5.08 0.00 -0.00 -1.26 -4.88 115.22 106.04 1n8r n HIS 69 Ca 0.04 -1.25 -0.32 0.00 -0.00 0.00 0.00 57.72 56.19 1n8r n HIS 69 Cb 0.49 -2.14 -0.15 0.00 -0.00 0.00 0.00 29.99 28.19 1n8r n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1n8r s VAL 70 N 9.86 2.56 0.11 1.59 1.01 -1.26 -4.97 120.40 129.29 1n8r s VAL 70 Ca 0.67 -0.90 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1n8r s VAL 70 Cb 0.05 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 1n8r s VAL 70 CO 0.17 0.58 1.60 -2.84 0.00 0.00 0.00 175.10 174.60 1n8r s PRO 71 N -0.46 4.21 0.19 2.72 0.02 -1.26 -4.14 135.00 136.27 1n8r s PRO 71 Ca 0.05 2.32 0.05 0.00 0.02 0.00 0.00 61.00 63.44 1n8r s PRO 71 Cb -0.12 -3.41 -0.05 0.00 0.02 0.00 0.00 34.50 30.95 1n8r s PRO 71 CO 0.01 -0.66 -0.07 0.15 -0.33 0.00 0.00 177.00 176.09 1n8r s LYS 72 N 1.97 1.21 -0.15 5.54 1.02 0.77 -1.18 119.74 128.92 1n8r s LYS 72 Ca 0.72 -1.56 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 1n8r s LYS 72 Cb -0.41 -0.71 0.06 0.00 -0.52 0.00 0.00 37.83 36.24 1n8r s LYS 72 CO 0.32 0.03 0.36 -1.17 -0.92 0.00 0.00 175.35 173.97 1n8r s LEU 73 N -3.25 0.04 -1.47 3.17 2.96 0.10 -1.56 118.68 118.68 1n8r s LEU 73 Ca 0.22 0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 54.85 1n8r s LEU 73 Cb 0.03 1.15 0.02 0.00 0.50 0.00 0.00 46.19 47.90 1n8r s LEU 73 CO 0.05 -0.19 0.51 0.47 -1.32 0.00 0.00 176.35 175.87 1n8r n ASP 74 N 4.29 -5.36 -2.12 3.68 8.00 -1.26 -1.15 116.55 122.64 1n8r n ASP 74 Ca -0.23 -0.27 -0.19 0.00 0.71 0.00 0.00 54.79 54.81 1n8r n ASP 74 Cb 0.54 -4.37 -0.01 0.00 -0.02 0.00 0.00 41.12 37.26 1n8r n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n8r n GLY 75 N -1.36 -0.33 2.99 0.44 0.00 -1.26 -4.99 105.19 100.68 1n8r n GLY 75 Ca -0.10 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 1n8r n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n8r s ARG 76 N -4.89 1.52 0.94 1.61 3.52 -0.30 -5.10 118.95 116.24 1n8r s ARG 76 Ca 0.00 -0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 55.15 1n8r s ARG 76 Cb 0.00 -1.30 0.16 0.00 -1.56 0.00 0.00 34.95 32.25 1n8r s ARG 76 CO 0.00 -0.01 1.10 0.00 -0.81 0.00 0.00 175.30 175.59 1n8r s ALA 77 N 0.75 1.22 0.03 6.12 0.00 -1.26 0.03 121.76 128.65 1n8r s ALA 77 Ca -0.13 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1n8r s ALA 77 Cb -0.15 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.74 1n8r s ALA 77 CO 0.03 -2.74 1.17 1.03 0.00 0.00 0.00 175.76 175.25 1n8r s ARG 78 N -4.71 0.65 0.00 0.00 0.52 -0.32 -4.76 118.95 110.32 1n8r s ARG 78 Ca 0.65 -0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.51 1n8r s ARG 78 Cb -0.21 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.48 1n8r s ARG 78 CO 0.59 -0.30 0.00 -2.13 0.02 0.00 0.00 175.30 173.48 1n8r n ARG 79 N -0.45 0.00 -1.46 3.54 0.63 -1.24 -4.49 116.66 113.19 1n8r n ARG 79 Ca -0.07 0.00 -0.48 0.00 -0.92 0.00 0.00 57.85 56.37 1n8r n ARG 79 Cb 0.62 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.50 1n8r n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1n8r n VAL 80 N 0.00 1.78 -0.31 5.15 0.24 -1.26 0.16 118.33 124.08 1n8r n VAL 80 Ca 0.00 -0.44 0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1n8r n VAL 80 Cb 0.00 -0.25 0.32 0.00 -1.47 0.00 0.00 33.84 32.44 1n8r n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1n8r h PRO 81 N 1.49 0.45 0.00 7.34 0.11 -1.91 -0.72 132.00 138.76 1n8r h PRO 81 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1n8r h PRO 81 Cb 1.41 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1n8r h PRO 81 CO 0.59 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.68 1n8r n GLN 82 N -4.99 0.72 -3.94 1.05 0.00 -1.26 -4.77 117.38 104.18 1n8r n GLN 82 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.89 1n8r n GLN 82 Cb 0.66 -1.46 -0.05 0.00 0.00 0.00 0.00 30.24 29.39 1n8r n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1n8r s ALA 83 N -2.00 3.87 0.19 2.61 0.00 -0.28 -5.04 121.76 121.12 1n8r s ALA 83 Ca 0.31 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.19 1n8r s ALA 83 Cb 0.14 -1.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 1n8r s ALA 83 CO 0.24 0.73 1.44 0.08 0.00 0.00 0.00 175.76 178.25 1n8r s VAL 84 N -1.28 2.90 0.00 0.00 1.01 -1.26 -0.76 120.40 121.00 1n8r s VAL 84 Ca 0.26 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1n8r s VAL 84 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1n8r s VAL 84 CO 0.17 0.08 0.00 0.29 0.00 0.00 0.00 175.10 175.64 1n8r n LYS 85 N 3.20 0.00 -1.93 2.72 4.76 -1.26 -4.69 118.16 120.95 1n8r n LYS 85 Ca 0.10 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.24 1n8r n LYS 85 Cb 0.41 -2.27 0.17 0.00 -1.84 0.00 0.00 35.03 31.49 1n8r n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1n8r s GLY 86 N -1.90 1.74 0.59 0.72 0.00 0.06 -4.46 107.32 104.06 1n8r s GLY 86 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 44.72 43.46 1n8r s GLY 86 CO 0.00 -0.38 1.08 1.09 0.00 0.00 0.00 173.10 174.90 1n8r s ARG 87 N -5.83 3.24 -0.23 2.90 1.70 0.41 -4.67 118.95 116.48 1n8r s ARG 87 Ca 0.72 1.36 -0.27 0.00 -0.47 0.00 0.00 55.73 57.07 1n8r s ARG 87 Cb -0.05 -2.01 0.00 0.00 -0.57 0.00 0.00 34.95 32.32 1n8r s ARG 87 CO 0.52 -0.89 0.96 0.45 -1.08 0.00 0.00 175.30 175.26 1n8r s SER 88 N -2.40 7.01 0.12 -2.89 0.15 -1.26 -3.85 113.70 110.58 1n8r s SER 88 Ca 0.67 1.26 -0.25 0.00 0.70 0.00 0.00 55.95 58.32 1n8r s SER 88 Cb -0.19 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 1n8r s SER 88 CO 0.34 -0.60 1.64 0.00 1.20 0.00 0.00 173.24 175.82 1n8r h ALA 89 N 7.52 -0.31 -2.70 5.45 0.00 -1.94 -3.35 119.26 123.93 1n8r h ALA 89 Ca -0.21 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.11 1n8r h ALA 89 Cb 1.08 0.43 -0.39 0.00 0.00 0.00 0.00 17.79 18.90 1n8r h ALA 89 CO 0.93 -0.74 -0.82 -1.01 0.00 0.00 0.00 179.25 177.61 1n8r s HIS 90 N -6.07 1.31 0.63 0.00 3.76 -1.26 -5.13 115.29 108.53 1n8r s HIS 90 Ca -0.15 -2.08 0.02 0.00 -0.15 0.00 0.00 55.06 52.70 1n8r s HIS 90 Cb 0.09 -1.30 0.09 0.00 1.11 0.00 0.00 32.58 32.57 1n8r s HIS 90 CO 0.66 -0.80 0.87 -1.25 -0.85 0.00 0.00 174.74 173.37 1n8r s PRO 91 N 0.55 2.09 0.36 8.40 0.04 -1.26 -5.06 135.00 140.12 1n8r s PRO 91 Ca 0.21 -1.15 -0.28 0.00 0.04 0.00 0.00 61.00 59.82 1n8r s PRO 91 Cb -0.18 -2.46 -0.11 0.00 0.04 0.00 0.00 34.50 31.79 1n8r s PRO 91 CO -0.04 -1.07 1.44 -2.14 0.04 0.00 0.00 177.00 175.23 1n8r s PRO 92 N -4.90 4.18 -0.06 0.56 0.02 -1.26 -4.93 135.00 128.61 1n8r s PRO 92 Ca 0.62 2.47 0.03 0.00 0.02 0.00 0.00 61.00 64.15 1n8r s PRO 92 Cb -0.07 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1n8r s PRO 92 CO 0.41 -0.44 -0.16 0.15 -0.33 0.00 0.00 177.00 176.63 1n8r s LYS 93 N -1.98 1.92 0.32 5.54 1.02 -1.25 -2.78 119.74 122.54 1n8r s LYS 93 Ca 0.52 -0.57 0.06 0.00 0.02 0.00 0.00 55.97 56.00 1n8r s LYS 93 Cb -0.45 -1.59 0.71 0.00 -0.52 0.00 0.00 37.83 35.98 1n8r s LYS 93 CO 0.60 0.15 1.85 1.15 -0.92 0.00 0.00 175.35 178.19 1n8r h THR 94 N 5.59 0.87 -0.44 2.17 2.02 -1.58 -2.64 112.91 118.89 1n8r h THR 94 Ca -0.30 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 66.62 1n8r h THR 94 Cb 1.19 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1n8r h THR 94 CO 0.48 0.15 0.29 -0.33 0.37 0.00 0.00 175.52 176.48 1n8r h GLU 95 N 0.82 0.53 -6.43 6.66 3.07 -1.95 -3.45 114.58 113.83 1n8r h GLU 95 Ca 0.47 -0.03 -0.61 0.00 -0.50 0.00 0.00 59.36 58.68 1n8r h GLU 95 Cb 0.62 -0.12 0.10 0.00 -0.84 0.00 0.00 28.75 28.51 1n8r h GLU 95 CO -0.23 0.35 0.13 1.17 -1.40 0.00 0.00 179.01 179.03 1n8r n LYS 96 N -4.47 1.27 -3.06 2.33 4.81 -1.00 -4.92 118.16 113.13 1n8r n LYS 96 Ca 0.04 0.45 -0.43 0.00 -0.87 0.00 0.00 58.31 57.50 1n8r n LYS 96 Cb 0.10 -1.83 -0.06 0.00 0.02 0.00 0.00 35.03 33.26 1n8r n LYS 96 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1n8r s ASP 97 N -0.47 6.28 -0.22 3.14 3.68 -1.26 -4.90 116.67 122.92 1n8r s ASP 97 Ca 0.61 -0.65 0.13 0.00 2.13 0.00 0.00 52.55 54.78 1n8r s ASP 97 Cb -0.74 -2.34 0.77 0.00 -1.45 0.00 0.00 42.92 39.16 1n8r s ASP 97 CO 0.58 -0.97 1.66 0.54 0.13 0.00 0.00 175.17 177.12 1n8r n ARG 98 N 6.56 4.63 -3.59 4.34 1.74 -1.26 -4.93 116.66 124.15 1n8r n ARG 98 Ca -0.03 -2.93 -0.24 0.00 -0.77 0.00 0.00 57.85 53.87 1n8r n ARG 98 Cb 0.46 -2.21 -0.02 0.00 -1.02 0.00 0.00 32.46 29.67 1n8r n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1n8r s SER 99 N -0.72 6.32 -0.07 0.55 1.04 -1.26 -4.52 113.70 115.04 1n8r s SER 99 Ca 0.51 0.35 0.03 0.00 0.48 0.00 0.00 55.95 57.32 1n8r s SER 99 Cb 0.39 -1.99 0.01 0.00 0.10 0.00 0.00 66.02 64.53 1n8r s SER 99 CO 0.15 -0.19 -0.15 -0.76 0.98 0.00 0.00 173.24 173.27 1n8r s LEU 100 N -4.01 1.78 0.42 2.42 1.43 -1.26 -5.00 118.68 114.46 1n8r s LEU 100 Ca 0.38 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1n8r s LEU 100 Cb -0.10 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 1n8r s LEU 100 CO 0.33 0.08 0.70 -1.81 0.23 0.00 0.00 176.35 175.88 1n8r s ASP 101 N 0.49 6.32 -0.28 2.29 1.11 -1.26 -4.89 116.67 120.45 1n8r s ASP 101 Ca -0.14 0.81 -0.11 0.00 0.18 0.00 0.00 52.55 53.29 1n8r s ASP 101 Cb -0.15 -2.19 0.11 0.00 1.07 0.00 0.00 42.92 41.75 1n8r s ASP 101 CO 0.05 -0.45 0.63 -0.22 1.18 0.00 0.00 175.17 176.35 1n8r s LEU 102 N -4.43 -1.00 0.14 1.23 2.96 -1.26 -5.05 118.68 111.28 1n8r s LEU 102 Ca 0.46 1.48 -0.33 0.00 -0.22 0.00 0.00 54.13 55.51 1n8r s LEU 102 Cb -0.10 2.20 -0.13 0.00 0.50 0.00 0.00 46.19 48.66 1n8r s LEU 102 CO 0.40 -0.23 1.67 0.59 -1.32 0.00 0.00 176.35 177.47 1n8r n ASN 103 N 5.07 3.43 -0.30 3.68 4.13 -1.26 -4.81 115.26 125.20 1n8r n ASN 103 Ca -0.14 1.05 0.12 0.00 1.68 0.00 0.00 54.58 57.29 1n8r n ASN 103 Cb 0.52 -1.46 0.27 0.00 -1.54 0.00 0.00 39.78 37.57 1n8r n ASN 103 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1n8r h ASP 104 N 6.79 -0.14 -0.22 6.41 3.32 -2.00 0.30 116.42 130.88 1n8r h ASP 104 Ca -0.45 0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.84 1n8r h ASP 104 Cb 1.24 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 41.08 1n8r h ASP 104 CO 0.92 -0.20 0.02 0.11 -1.72 0.00 0.00 179.24 178.36 1n8r h LYS 105 N 0.15 0.09 -0.28 3.56 1.57 -1.99 0.39 116.57 120.07 1n8r h LYS 105 Ca 0.54 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1n8r h LYS 105 Cb 1.09 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1n8r h LYS 105 CO -0.71 0.06 -0.01 1.49 -0.57 0.00 0.00 179.45 179.72 1n8r h GLU 106 N 0.10 0.42 0.01 3.15 4.81 -1.50 0.32 114.58 121.89 1n8r h GLU 106 Ca 0.10 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1n8r h GLU 106 Cb 0.11 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.43 1n8r h GLU 106 CO -0.15 0.46 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.24 1n8r h ARG 107 N 0.41 0.16 -0.80 1.92 2.43 0.15 -2.75 114.38 115.89 1n8r h ARG 107 Ca 0.09 -0.18 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1n8r h ARG 107 Cb 0.28 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1n8r h ARG 107 CO 0.01 0.94 0.53 1.96 -1.51 0.00 0.00 179.97 181.89 1n8r h GLN 108 N -0.54 0.94 -0.87 0.20 4.20 -0.14 -0.99 115.11 117.92 1n8r h GLN 108 Ca -0.03 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1n8r h GLN 108 Cb 1.03 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1n8r h GLN 108 CO 0.05 0.62 0.50 1.25 -0.67 0.00 0.00 178.83 180.59 1n8r h LEU 109 N 0.97 1.07 -1.32 1.46 5.85 -0.94 -1.14 115.31 121.26 1n8r h LEU 109 Ca 0.32 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1n8r h LEU 109 Cb 0.07 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1n8r h LEU 109 CO -0.10 0.84 -0.30 0.00 -0.34 0.00 0.00 178.44 178.54 1n8r h ALA 110 N 1.27 1.22 -0.16 1.25 0.00 -0.91 0.64 119.26 122.57 1n8r h ALA 110 Ca 0.31 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1n8r h ALA 110 Cb -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n8r h ALA 110 CO -0.05 0.38 -0.24 0.28 0.00 0.00 0.00 179.25 179.62 1n8r h VAL 111 N 0.00 1.35 -0.08 0.00 2.07 -0.39 -0.61 116.25 118.58 1n8r h VAL 111 Ca -0.00 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1n8r h VAL 111 Cb 0.66 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1n8r h VAL 111 CO 0.04 0.44 0.03 0.03 0.02 0.00 0.00 177.57 178.12 1n8r h ARG 112 N 0.08 0.13 -0.87 1.57 3.08 -0.99 -0.71 114.38 116.67 1n8r h ARG 112 Ca 0.02 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1n8r h ARG 112 Cb 0.81 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 1n8r h ARG 112 CO 0.06 0.28 0.56 1.03 -1.07 0.00 0.00 179.97 180.82 1n8r h SER 113 N -0.05 0.92 -0.59 7.04 0.87 -0.84 -0.85 113.55 120.05 1n8r h SER 113 Ca 0.03 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 1n8r h SER 113 Cb 0.20 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1n8r h SER 113 CO -0.00 0.63 0.15 0.00 -0.53 0.00 0.00 176.83 177.08 1n8r h ALA 114 N 1.37 1.09 0.19 6.23 0.00 -0.94 -0.88 119.26 126.32 1n8r h ALA 114 Ca 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n8r h ALA 114 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1n8r h ALA 114 CO -0.12 0.60 -0.18 1.25 0.00 0.00 0.00 179.25 180.80 1n8r h LEU 115 N 0.93 -0.49 -0.85 0.00 5.85 0.19 -2.80 115.31 118.14 1n8r h LEU 115 Ca 0.20 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1n8r h LEU 115 Cb 0.33 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1n8r h LEU 115 CO -0.00 -0.28 0.52 0.00 -0.34 0.00 0.00 178.44 178.35 1n8r h ALA 116 N 0.35 1.17 0.00 1.25 0.00 -0.86 0.16 119.26 121.34 1n8r h ALA 116 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n8r h ALA 116 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n8r h ALA 116 CO -0.04 0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.52 1n8r h ALA 117 N 1.41 1.05 0.00 0.00 0.00 -0.91 -0.63 119.26 120.19 1n8r h ALA 117 Ca 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1n8r h ALA 117 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1n8r h ALA 117 CO -0.18 -0.05 -0.25 1.15 0.00 0.00 0.00 179.25 179.92 1n8r h THR 118 N 0.00 0.67 -0.50 0.00 2.02 -0.51 -3.14 112.91 111.45 1n8r h THR 118 Ca 0.00 -1.11 -0.08 0.00 0.77 0.00 0.00 66.41 65.99 1n8r h THR 118 Cb 0.11 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1n8r h THR 118 CO 0.00 0.24 0.10 0.00 0.37 0.00 0.00 175.52 176.23 1n8r n ALA 119 N -2.26 3.81 -3.92 6.16 0.00 -0.24 -3.19 120.51 120.87 1n8r n ALA 119 Ca -0.00 -1.58 -0.30 0.00 0.00 0.00 0.00 53.44 51.55 1n8r n ALA 119 Cb 0.41 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 1n8r n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n8r s ASP 120 N -0.61 4.24 0.43 0.00 -1.08 -1.19 -4.72 116.67 113.74 1n8r s ASP 120 Ca 0.41 -2.89 0.27 0.00 -0.52 0.00 0.00 52.55 49.82 1n8r s ASP 120 Cb 0.32 -1.54 1.34 0.00 -1.46 0.00 0.00 42.92 41.58 1n8r s ASP 120 CO 0.11 -0.25 1.66 0.00 0.52 0.00 0.00 175.17 177.21 1n8r h ALA 121 N 6.61 2.59 0.13 3.66 0.00 -1.84 -0.16 119.26 130.25 1n8r h ALA 121 Ca -0.07 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1n8r h ALA 121 Cb 0.90 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1n8r h ALA 121 CO 0.65 -1.17 -0.06 -0.44 0.00 0.00 0.00 179.25 178.23 1n8r h ASP 122 N 0.16 -0.15 -0.31 0.00 3.32 -1.94 -2.07 116.42 115.42 1n8r h ASP 122 Ca 0.76 -0.32 0.07 0.00 0.02 0.00 0.00 57.03 57.56 1n8r h ASP 122 Cb 2.29 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 41.80 1n8r h ASP 122 CO -0.40 0.27 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.09 1n8r h LEU 123 N -0.59 -0.75 -1.56 1.55 3.38 -1.39 0.69 115.31 116.64 1n8r h LEU 123 Ca -0.02 0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.22 1n8r h LEU 123 Cb 0.46 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1n8r h LEU 123 CO 0.03 -0.26 0.46 0.58 0.09 0.00 0.00 178.44 179.34 1n8r h VAL 124 N -0.20 0.86 -0.11 1.22 2.07 -1.41 0.37 116.25 119.06 1n8r h VAL 124 Ca 0.16 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1n8r h VAL 124 Cb 0.45 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1n8r h VAL 124 CO -0.43 0.09 -0.37 0.00 0.02 0.00 0.00 177.57 176.87 1n8r h ALA 125 N 1.66 0.19 -0.49 1.67 0.00 -0.28 -3.11 119.26 118.90 1n8r h ALA 125 Ca 0.33 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n8r h ALA 125 Cb 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1n8r h ALA 125 CO -0.10 0.28 0.29 -0.44 0.00 0.00 0.00 179.25 179.28 1n8r h ASP 126 N 0.03 0.59 -0.56 0.00 3.32 0.68 -1.34 116.42 119.14 1n8r h ASP 126 Ca -0.02 -0.06 0.16 0.00 0.02 0.00 0.00 57.03 57.13 1n8r h ASP 126 Cb 1.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1n8r h ASP 126 CO 0.08 0.48 0.56 -0.09 -1.72 0.00 0.00 179.24 178.55 1n8r h ARG 127 N 0.65 0.00 0.00 3.56 2.43 -0.38 -3.45 114.38 117.20 1n8r h ARG 127 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1n8r h ARG 127 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1n8r h ARG 127 CO -0.03 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.84 1n8r n GLY 128 N -1.55 1.62 3.77 2.80 0.00 -0.50 -5.10 105.19 106.23 1n8r n GLY 128 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1n8r n GLY 128 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n8r s HIS 129 N -1.24 2.65 -0.19 1.61 3.76 -1.18 -5.01 115.29 115.69 1n8r s HIS 129 Ca 0.00 1.06 -0.13 0.00 -0.15 0.00 0.00 55.06 55.84 1n8r s HIS 129 Cb 0.00 -4.03 -0.05 0.00 1.11 0.00 0.00 32.58 29.62 1n8r s HIS 129 CO 0.00 -3.14 0.27 -1.21 -0.85 0.00 0.00 174.74 169.81 1n8r s GLU 130 N -1.59 4.19 -0.16 1.40 0.41 -1.26 -4.63 118.70 117.07 1n8r s GLU 130 Ca 0.56 -0.00 -0.33 0.00 -0.41 0.00 0.00 54.97 54.78 1n8r s GLU 130 Cb -0.47 -3.47 0.13 0.00 -1.78 0.00 0.00 34.13 28.54 1n8r s GLU 130 CO 0.58 0.15 1.14 -0.59 -0.49 0.00 0.00 175.26 176.05 1n8r s PHE 131 N 0.77 -0.18 -0.57 1.61 -0.12 -1.26 -2.06 117.98 116.17 1n8r s PHE 131 Ca 0.14 0.13 0.06 0.00 -0.05 0.00 0.00 56.93 57.21 1n8r s PHE 131 Cb -0.13 0.52 0.28 0.00 -0.63 0.00 0.00 43.02 43.05 1n8r s PHE 131 CO 0.04 -0.27 0.76 -0.25 -0.05 0.00 0.00 175.22 175.45 1n8r n ASP 132 N -0.07 3.19 -4.16 1.98 8.00 -0.65 -5.05 116.55 119.80 1n8r n ASP 132 Ca -0.02 -3.36 -0.10 0.00 0.71 0.00 0.00 54.79 52.02 1n8r n ASP 132 Cb 0.59 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 1n8r n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1n8r s ARG 133 N -2.53 0.80 -0.17 -1.24 3.52 -1.26 -4.83 118.95 113.23 1n8r s ARG 133 Ca 0.41 -1.31 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1n8r s ARG 133 Cb 0.20 -0.15 -0.11 0.00 -1.56 0.00 0.00 34.95 33.33 1n8r s ARG 133 CO -0.06 -0.03 -0.15 -0.25 -0.81 0.00 0.00 175.30 173.99 1n8r n ASP 134 N 0.01 2.63 -4.86 -2.12 8.00 -1.26 -4.99 116.55 113.96 1n8r n ASP 134 Ca -0.13 -0.08 -0.31 0.00 0.71 0.00 0.00 54.79 54.98 1n8r n ASP 134 Cb 0.61 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1n8r n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n8r s GLU 135 N -2.34 3.90 -0.27 -1.24 2.02 -1.26 -4.72 118.70 114.79 1n8r s GLU 135 Ca -0.23 0.63 -0.26 0.00 0.02 0.00 0.00 54.97 55.13 1n8r s GLU 135 Cb 0.06 -2.36 0.14 0.00 0.10 0.00 0.00 34.13 32.07 1n8r s GLU 135 CO 0.39 0.01 1.15 0.54 0.02 0.00 0.00 175.26 177.36 1n8r s VAL 136 N -2.25 0.00 0.96 2.63 0.11 -1.26 -4.74 120.40 115.85 1n8r s VAL 136 Ca 0.54 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.47 1n8r s VAL 136 Cb -0.10 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 33.91 1n8r s VAL 136 CO 0.25 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.95 1n8r s PRO 137 N -0.03 0.73 -0.36 1.54 0.04 -1.19 -4.21 135.00 131.51 1n8r s PRO 137 Ca 0.04 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.53 1n8r s PRO 137 Cb -0.04 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1n8r s PRO 137 CO -0.08 -2.57 0.92 0.08 0.04 0.00 0.00 177.00 175.39 1n8r s VAL 138 N -2.90 4.60 0.00 -0.36 1.01 -0.77 -4.93 120.40 117.04 1n8r s VAL 138 Ca 0.65 1.21 -0.05 0.00 0.00 0.00 0.00 61.98 63.78 1n8r s VAL 138 Cb -0.19 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1n8r s VAL 138 CO 0.58 -0.51 0.24 -0.69 0.00 0.00 0.00 175.10 174.71 1n8r s VAL 139 N 3.44 5.35 0.04 2.92 1.01 -1.26 -0.39 120.40 131.51 1n8r s VAL 139 Ca 0.38 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.37 1n8r s VAL 139 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1n8r s VAL 139 CO 0.18 0.35 0.07 -0.69 0.00 0.00 0.00 175.10 175.01 1n8r s VAL 140 N -1.31 0.14 0.65 2.92 1.01 -0.98 -2.17 120.40 120.67 1n8r s VAL 140 Ca 0.27 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1n8r s VAL 140 Cb -0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1n8r s VAL 140 CO 0.17 -0.62 1.26 -0.94 0.00 0.00 0.00 175.10 174.97 1n8r s SER 141 N -2.09 4.62 0.00 3.32 1.04 -0.45 0.13 113.70 120.28 1n8r s SER 141 Ca -0.06 2.54 0.05 0.00 0.48 0.00 0.00 55.95 58.96 1n8r s SER 141 Cb -0.02 -2.61 0.27 0.00 0.10 0.00 0.00 66.02 63.77 1n8r s SER 141 CO -0.04 -1.99 0.95 0.47 0.98 0.00 0.00 173.24 173.61 1n8r n ASP 142 N -2.00 0.00 0.07 7.02 8.00 -1.26 -1.80 116.55 126.58 1n8r n ASP 142 Ca 0.15 0.12 0.10 0.00 0.71 0.00 0.00 54.79 55.87 1n8r n ASP 142 Cb 0.49 -0.22 0.42 0.00 -0.02 0.00 0.00 41.12 41.79 1n8r n ASP 142 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1n8r n ASP 143 N -1.22 0.36 -0.29 -2.24 8.00 -1.26 -2.28 116.55 117.61 1n8r n ASP 143 Ca 0.03 0.58 -0.06 0.00 0.71 0.00 0.00 54.79 56.05 1n8r n ASP 143 Cb 0.04 -0.66 0.07 0.00 -0.02 0.00 0.00 41.12 40.54 1n8r n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1n8r h PHE 144 N 0.00 1.22 0.00 1.24 3.57 -1.71 -1.75 116.94 119.51 1n8r h PHE 144 Ca 0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1n8r h PHE 144 Cb 0.34 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1n8r h PHE 144 CO 0.00 0.91 0.06 0.39 -2.23 0.00 0.00 178.31 177.45 1n8r n GLU 145 N -4.28 0.13 0.00 1.11 1.02 -0.97 -1.45 120.64 116.20 1n8r n GLU 145 Ca 0.07 0.63 0.11 0.00 -0.02 0.00 0.00 57.16 57.95 1n8r n GLU 145 Cb 0.18 -1.99 0.10 0.00 -0.02 0.00 0.00 31.44 29.71 1n8r n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1n8r n ASP 146 N -2.22 0.69 -4.55 1.62 8.00 -0.66 -4.94 116.55 114.49 1n8r n ASP 146 Ca -0.01 -0.50 -0.32 0.00 0.71 0.00 0.00 54.79 54.66 1n8r n ASP 146 Cb 0.09 0.57 0.14 0.00 -0.02 0.00 0.00 41.12 41.90 1n8r n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n8r n LEU 147 N -1.55 1.73 0.00 0.64 4.77 -0.53 -4.94 117.00 117.12 1n8r n LEU 147 Ca 0.05 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1n8r n LEU 147 Cb 0.34 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1n8r n LEU 147 CO 0.38 -2.82 -0.17 0.52 -1.33 0.00 0.00 177.39 173.97 1n8r n VAL 148 N -3.85 0.00 -3.42 4.08 0.31 -1.26 -4.63 118.33 109.56 1n8r n VAL 148 Ca 0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.05 1n8r n VAL 148 Cb 0.53 -0.24 -0.06 0.00 -0.91 0.00 0.00 33.84 33.16 1n8r n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1n8r s LYS 149 N -1.34 4.01 0.07 5.55 -0.14 -1.26 -4.37 119.74 122.27 1n8r s LYS 149 Ca 0.00 0.52 -0.22 0.00 -1.36 0.00 0.00 55.97 54.91 1n8r s LYS 149 Cb 0.00 -3.20 -0.12 0.00 -1.68 0.00 0.00 37.83 32.82 1n8r s LYS 149 CO 0.00 0.66 1.59 1.15 -0.76 0.00 0.00 175.35 177.98 1n8r h THR 150 N 3.57 1.17 -0.95 2.17 2.02 -1.91 -2.85 112.91 116.12 1n8r h THR 150 Ca -0.51 -0.52 0.29 0.00 0.77 0.00 0.00 66.41 66.44 1n8r h THR 150 Cb 1.22 1.29 -0.15 0.00 -1.74 0.00 0.00 68.15 68.77 1n8r h THR 150 CO 0.62 0.16 0.42 1.56 0.37 0.00 0.00 175.52 178.65 1n8r h GLN 151 N 0.02 0.25 -0.59 6.66 1.08 -1.94 0.52 115.11 121.12 1n8r h GLN 151 Ca 0.04 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1n8r h GLN 151 Cb 0.21 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1n8r h GLN 151 CO -0.00 0.17 0.16 0.93 -0.95 0.00 0.00 178.83 179.14 1n8r h GLU 152 N 0.26 0.94 0.00 1.46 5.08 -1.89 -1.35 114.58 119.07 1n8r h GLU 152 Ca 0.66 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 1n8r h GLU 152 Cb 1.44 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1n8r h GLU 152 CO -0.64 0.85 -0.06 0.28 -1.00 0.00 0.00 179.01 178.43 1n8r h VAL 153 N 0.85 0.41 -0.01 3.13 2.07 0.08 -1.96 116.25 120.82 1n8r h VAL 153 Ca 0.19 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1n8r h VAL 153 Cb 0.32 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1n8r h VAL 153 CO -0.00 0.06 -0.02 0.58 0.02 0.00 0.00 177.57 178.21 1n8r h VAL 154 N 0.00 1.45 0.10 2.57 2.07 -0.23 -1.75 116.25 120.47 1n8r h VAL 154 Ca -0.00 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.18 1n8r h VAL 154 Cb 0.23 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1n8r h VAL 154 CO 0.01 0.36 -0.34 0.28 0.02 0.00 0.00 177.57 177.90 1n8r h SER 155 N -0.53 -1.00 -0.91 0.57 0.02 -0.87 0.24 113.55 111.08 1n8r h SER 155 Ca 0.00 0.12 0.24 0.00 -0.84 0.00 0.00 61.79 61.30 1n8r h SER 155 Cb 0.60 0.38 -0.13 0.00 0.14 0.00 0.00 62.40 63.39 1n8r h SER 155 CO 0.00 -0.42 0.39 0.25 -1.14 0.00 0.00 176.83 175.91 1n8r h LEU 156 N -0.56 0.30 -0.54 5.07 5.85 -1.38 0.31 115.31 124.35 1n8r h LEU 156 Ca 0.03 0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 1n8r h LEU 156 Cb 0.60 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1n8r h LEU 156 CO -0.21 -0.05 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.20 1n8r h LEU 157 N 0.36 0.53 -1.13 2.25 3.38 -0.32 -0.73 115.31 119.64 1n8r h LEU 157 Ca 0.59 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1n8r h LEU 157 Cb 1.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1n8r h LEU 157 CO -0.56 0.99 -0.33 -0.33 0.09 0.00 0.00 178.44 178.30 1n8r h GLU 158 N 0.36 0.19 -0.02 1.13 5.08 0.28 -1.01 114.58 120.59 1n8r h GLU 158 Ca 0.00 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 1n8r h GLU 158 Cb 1.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1n8r h GLU 158 CO 0.10 0.50 -0.76 0.00 -1.00 0.00 0.00 179.01 177.85 1n8r h ALA 159 N 1.50 0.70 -0.28 3.43 0.00 -0.45 -3.00 119.26 121.15 1n8r h ALA 159 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1n8r h ALA 159 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1n8r h ALA 159 CO 0.05 0.87 0.00 1.28 0.00 0.00 0.00 179.25 181.45 1n8r n LEU 160 N -3.72 1.72 -3.15 0.00 4.77 -0.31 -4.90 117.00 111.42 1n8r n LEU 160 Ca -0.02 -0.82 -0.23 0.00 -0.03 0.00 0.00 56.01 54.91 1n8r n LEU 160 Cb 0.73 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1n8r n LEU 160 CO 0.45 0.41 0.01 0.47 -1.33 0.00 0.00 177.39 177.41 1n8r n ASP 161 N 0.41 -5.68 0.00 -1.43 8.00 -0.84 -4.84 116.55 112.16 1n8r n ASP 161 Ca 0.13 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.29 1n8r n ASP 161 Cb 0.29 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 1n8r n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n8r n VAL 162 N -4.46 0.00 0.02 2.53 0.31 -0.44 -1.64 118.33 114.65 1n8r n VAL 162 Ca -0.08 -0.40 0.05 0.00 -0.01 0.00 0.00 64.34 63.90 1n8r n VAL 162 Cb 0.60 1.14 0.45 0.00 -0.91 0.00 0.00 33.84 35.11 1n8r n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1n8r h HIS 163 N 0.00 0.47 -1.48 3.52 6.17 -1.81 -2.76 115.15 119.25 1n8r h HIS 163 Ca 0.00 0.01 0.44 0.00 0.71 0.00 0.00 60.37 61.54 1n8r h HIS 163 Cb 0.07 -0.16 -0.09 0.00 2.52 0.00 0.00 27.41 29.75 1n8r h HIS 163 CO 0.00 0.29 1.03 0.00 0.71 0.00 0.00 177.93 179.96 1n8r h ALA 164 N 1.76 3.17 -0.61 5.26 0.00 -1.84 0.28 119.26 127.29 1n8r h ALA 164 Ca 0.15 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1n8r h ALA 164 Cb -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1n8r h ALA 164 CO -0.03 -1.69 0.03 0.22 0.00 0.00 0.00 179.25 177.78 1n8r h ASP 165 N 0.06 1.01 0.35 0.00 3.58 -1.10 -1.52 116.42 118.80 1n8r h ASP 165 Ca 0.78 -0.27 -0.09 0.00 0.42 0.00 0.00 57.03 57.87 1n8r h ASP 165 Cb 2.81 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 43.58 1n8r h ASP 165 CO -0.17 1.04 -0.40 0.40 -2.88 0.00 0.00 179.24 177.23 1n8r h ILE 166 N 0.96 1.30 -0.17 2.25 2.04 -0.63 -0.32 117.51 122.93 1n8r h ILE 166 Ca 0.18 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.53 1n8r h ILE 166 Cb 0.51 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1n8r h ILE 166 CO 0.02 0.42 -0.22 0.44 0.00 0.00 0.00 178.15 178.81 1n8r h ASP 167 N 0.07 0.30 0.33 1.72 3.45 -0.98 -1.45 116.42 119.85 1n8r h ASP 167 Ca 0.00 -0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 1n8r h ASP 167 Cb 0.75 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1n8r h ASP 167 CO 0.06 0.53 -0.16 -0.09 -1.57 0.00 0.00 179.24 178.01 1n8r h ARG 168 N 0.28 -0.42 0.00 3.56 2.43 -0.14 -2.91 114.38 117.17 1n8r h ARG 168 Ca 0.05 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1n8r h ARG 168 Cb 0.55 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1n8r h ARG 168 CO 0.04 -0.18 0.00 0.00 -1.51 0.00 0.00 179.97 178.31 1n8r n ALA 169 N -2.37 2.25 -1.40 2.80 0.00 -0.47 -3.92 120.51 117.41 1n8r n ALA 169 Ca -0.10 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 1n8r n ALA 169 Cb 0.24 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 1n8r n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1n8r n ASP 170 N -0.77 6.71 -3.58 0.00 4.64 -0.58 -4.15 116.55 118.82 1n8r n ASP 170 Ca 0.09 -3.30 -0.10 0.00 -1.38 0.00 0.00 54.79 50.10 1n8r n ASP 170 Cb 0.04 -1.15 -0.10 0.00 -1.04 0.00 0.00 41.12 38.87 1n8r n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1n8r s GLU 171 N -2.21 0.29 0.08 -0.67 2.02 -1.25 -5.05 118.70 111.91 1n8r s GLU 171 Ca 0.52 0.85 -0.13 0.00 0.02 0.00 0.00 54.97 56.24 1n8r s GLU 171 Cb 0.37 0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.59 1n8r s GLU 171 CO -0.18 -0.36 0.45 0.95 0.02 0.00 0.00 175.26 176.15 1n8r s THR 172 N 2.56 4.99 -0.18 3.63 -4.23 -1.26 -4.45 115.64 116.69 1n8r s THR 172 Ca 0.02 0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 61.15 1n8r s THR 172 Cb -0.13 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1n8r s THR 172 CO -0.13 0.37 0.10 -0.75 -0.54 0.00 0.00 174.62 173.67 1n8r s LYS 173 N -1.67 3.95 -0.58 3.99 2.20 0.98 -4.95 119.74 123.66 1n8r s LYS 173 Ca 0.32 -0.26 -0.17 0.00 -0.36 0.00 0.00 55.97 55.50 1n8r s LYS 173 Cb -0.15 -3.28 0.13 0.00 -1.51 0.00 0.00 37.83 33.02 1n8r s LYS 173 CO 0.17 0.38 0.58 0.42 -0.36 0.00 0.00 175.35 176.54 1n8r s ILE 174 N 0.10 5.15 0.42 5.43 1.01 -1.26 -1.85 121.20 130.20 1n8r s ILE 174 Ca 0.07 -1.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.02 1n8r s ILE 174 Cb -0.12 -4.39 -0.13 0.00 0.01 0.00 0.00 42.46 37.83 1n8r s ILE 174 CO -0.00 -0.95 0.51 0.29 0.00 0.00 0.00 174.94 174.78 1n8r n LYS 175 N 5.40 0.51 -3.18 2.79 5.02 -0.42 -4.99 118.16 123.30 1n8r n LYS 175 Ca -0.10 0.19 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 1n8r n LYS 175 Cb 0.41 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 1n8r n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n8r s ALA 176 N -1.48 3.42 0.00 7.82 0.00 -1.26 -4.90 121.76 125.36 1n8r s ALA 176 Ca 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1n8r s ALA 176 Cb -0.61 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1n8r s ALA 176 CO 0.58 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.66 1n8r n GLY 177 N 3.25 2.47 0.00 0.00 0.00 -1.26 -4.81 105.19 104.84 1n8r n GLY 177 Ca -0.04 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 43.97 1n8r n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n8r n GLN 178 N -0.23 0.21 -0.15 1.61 6.02 -1.26 -2.95 117.38 120.63 1n8r n GLN 178 Ca 0.00 0.14 0.25 0.00 -0.01 0.00 0.00 57.00 57.38 1n8r n GLN 178 Cb 0.00 -1.50 0.68 0.00 1.02 0.00 0.00 30.24 30.44 1n8r n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1n8r h GLY 179 N 1.89 0.15 -0.09 1.08 0.00 -1.87 0.53 103.07 104.76 1n8r h GLY 179 Ca 0.00 -0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.44 1n8r h GLY 179 CO 0.00 -0.00 0.04 0.23 0.00 0.00 0.00 176.54 176.81 1n8r h SER 180 N 0.07 -0.21 0.37 0.19 0.87 -1.61 0.36 113.55 113.59 1n8r h SER 180 Ca 0.39 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1n8r h SER 180 Cb 1.46 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 1n8r h SER 180 CO -0.03 -0.10 0.00 0.00 -0.53 0.00 0.00 176.83 176.16 1n8r n ALA 181 N -2.78 1.35 -0.41 6.23 0.00 0.19 -2.29 120.51 122.80 1n8r n ALA 181 Ca 0.10 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.77 1n8r n ALA 181 Cb 0.39 -1.36 0.22 0.00 0.00 0.00 0.00 19.45 18.69 1n8r n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n8r n ARG 182 N -2.29 2.99 -0.19 0.00 1.74 0.12 -4.94 116.66 114.09 1n8r n ARG 182 Ca 0.00 -2.38 0.00 0.00 -0.77 0.00 0.00 57.85 54.70 1n8r n ARG 182 Cb 0.13 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1n8r n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n8r n GLY 183 N 0.55 0.77 2.71 -0.13 0.00 -0.97 -4.98 105.19 103.14 1n8r n GLY 183 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1n8r n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n8r n ARG 184 N -2.11 3.35 -0.07 1.61 1.74 -0.57 -4.77 116.66 115.84 1n8r n ARG 184 Ca 0.00 -4.20 -0.14 0.00 -0.77 0.00 0.00 57.85 52.74 1n8r n ARG 184 Cb 0.00 -2.28 -0.06 0.00 -1.02 0.00 0.00 32.46 29.11 1n8r n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1n8r h LYS 185 N 2.93 0.56 -6.40 5.56 3.64 -1.76 -3.30 116.57 117.80 1n8r h LYS 185 Ca 0.40 -0.32 -0.43 0.00 -1.27 0.00 0.00 60.65 59.03 1n8r h LYS 185 Cb 0.49 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1n8r h LYS 185 CO 1.09 0.92 -0.29 0.71 -2.27 0.00 0.00 179.45 179.62 1n8r s TYR 186 N -4.23 2.89 -0.21 1.91 1.51 -1.26 -1.30 117.35 116.67 1n8r s TYR 186 Ca -0.13 -0.35 -0.28 0.00 -1.01 0.00 0.00 57.07 55.30 1n8r s TYR 186 Cb 0.07 -2.27 0.11 0.00 -0.11 0.00 0.00 41.96 39.76 1n8r s TYR 186 CO 0.80 -0.30 0.93 -0.98 -1.11 0.00 0.00 175.55 174.90 1n8r s ARG 187 N -4.29 0.66 0.02 -0.62 1.04 -0.77 -4.88 118.95 110.11 1n8r s ARG 187 Ca 0.52 0.45 -0.06 0.00 -1.04 0.00 0.00 55.73 55.59 1n8r s ARG 187 Cb -0.10 0.31 -0.01 0.00 -2.04 0.00 0.00 34.95 33.12 1n8r s ARG 187 CO 0.32 -0.15 0.11 -0.98 -0.04 0.00 0.00 175.30 174.57 1n8r s ARG 188 N -0.41 0.54 0.81 3.89 1.70 -1.26 -0.01 118.95 124.21 1n8r s ARG 188 Ca -0.01 -0.61 -0.13 0.00 -0.47 0.00 0.00 55.73 54.50 1n8r s ARG 188 Cb -0.03 0.22 0.07 0.00 -0.57 0.00 0.00 34.95 34.64 1n8r s ARG 188 CO -0.00 -0.13 1.11 -2.30 -1.08 0.00 0.00 175.30 172.89 1n8r n PRO 189 N 1.04 0.14 -3.43 3.89 -0.02 -1.26 -4.97 135.00 130.40 1n8r n PRO 189 Ca -0.21 0.12 -0.37 0.00 -2.02 0.00 0.00 63.50 61.02 1n8r n PRO 189 Cb 0.57 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1n8r n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n8r s ALA 190 N -2.14 3.56 0.00 3.55 0.00 -1.26 -4.46 121.76 121.01 1n8r s ALA 190 Ca 0.72 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1n8r s ALA 190 Cb -0.29 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1n8r s ALA 190 CO 0.52 0.12 0.00 -1.13 0.00 0.00 0.00 175.76 175.28 1n8r n SER 191 N 3.31 0.00 -4.80 0.00 3.41 0.14 -4.93 113.62 110.74 1n8r n SER 191 Ca -0.10 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.14 1n8r n SER 191 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1n8r n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1n8r s ILE 192 N 3.16 4.44 -0.20 -1.33 1.01 -1.26 -4.54 121.20 122.48 1n8r s ILE 192 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 60.65 62.10 1n8r s ILE 192 Cb 0.00 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1n8r s ILE 192 CO 0.00 0.18 -0.03 -0.22 0.00 0.00 0.00 174.94 174.87 1n8r s LEU 193 N -2.00 3.09 -0.36 2.97 2.96 -1.09 -1.63 118.68 122.62 1n8r s LEU 193 Ca 0.46 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.98 1n8r s LEU 193 Cb -0.17 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1n8r s LEU 193 CO 0.22 0.06 0.22 -0.36 -1.32 0.00 0.00 176.35 175.17 1n8r s PHE 194 N 1.03 3.22 -0.34 5.38 0.40 0.60 -1.37 117.98 126.90 1n8r s PHE 194 Ca 0.01 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 1n8r s PHE 194 Cb -0.15 -2.46 -0.01 0.00 0.51 0.00 0.00 43.02 40.92 1n8r s PHE 194 CO 0.01 -0.51 0.22 0.08 0.70 0.00 0.00 175.22 175.72 1n8r s VAL 195 N 1.64 5.10 0.00 -0.44 1.01 0.08 -0.14 120.40 127.64 1n8r s VAL 195 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1n8r s VAL 195 Cb -0.18 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1n8r s VAL 195 CO 0.08 -0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.51 1n8r n THR 196 N 5.08 0.00 0.00 3.92 -2.24 0.95 -2.64 114.28 119.35 1n8r n THR 196 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1n8r n THR 196 Cb 0.49 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1n8r n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1n8r n SER 197 N 0.00 1.02 -0.03 3.42 2.88 -1.26 -1.43 113.62 118.22 1n8r n SER 197 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1n8r n SER 197 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1n8r n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1n8r h ASP 198 N 0.00 0.21 -5.00 -3.46 3.32 -1.99 -3.43 116.42 106.06 1n8r h ASP 198 Ca 0.00 -0.81 -0.08 0.00 0.02 0.00 0.00 57.03 56.16 1n8r h ASP 198 Cb 0.75 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.04 1n8r h ASP 198 CO 0.00 1.42 -0.01 -1.61 -1.72 0.00 0.00 179.24 177.32 1n8r s GLU 199 N -2.38 0.92 0.55 3.56 2.02 -1.26 -5.11 118.70 117.00 1n8r s GLU 199 Ca -0.21 -0.03 -0.20 0.00 0.02 0.00 0.00 54.97 54.55 1n8r s GLU 199 Cb 0.03 0.43 -0.07 0.00 0.10 0.00 0.00 34.13 34.61 1n8r s GLU 199 CO 0.71 -0.29 0.86 -2.30 0.02 0.00 0.00 175.26 174.25 1n8r n PRO 200 N 0.88 0.90 -2.22 0.39 -0.02 -1.26 -4.76 135.00 128.91 1n8r n PRO 200 Ca -0.20 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 1n8r n PRO 200 Cb 0.58 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1n8r n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n8r s SER 201 N -1.11 5.91 0.22 2.55 0.15 -1.26 -4.81 113.70 115.35 1n8r s SER 201 Ca 0.71 0.59 -0.05 0.00 0.70 0.00 0.00 55.95 57.90 1n8r s SER 201 Cb -0.46 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 61.52 1n8r s SER 201 CO 0.51 -1.83 1.70 0.74 1.20 0.00 0.00 173.24 175.56 1n8r h THR 202 N 6.60 1.26 0.00 6.45 2.02 -1.91 -1.50 112.91 125.83 1n8r h THR 202 Ca -0.28 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1n8r h THR 202 Cb 1.13 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1n8r h THR 202 CO 1.14 0.39 -0.12 0.00 0.37 0.00 0.00 175.52 177.31 1n8r h ALA 203 N 1.13 1.48 0.00 6.16 0.00 -1.82 -3.24 119.26 122.97 1n8r h ALA 203 Ca 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1n8r h ALA 203 Cb 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1n8r h ALA 203 CO 0.03 0.15 -1.85 0.00 0.00 0.00 0.00 179.25 177.57 1n8r n ALA 204 N -2.37 2.41 -0.27 0.00 0.00 -1.05 -3.39 120.51 115.85 1n8r n ALA 204 Ca -0.02 -0.55 0.07 0.00 0.00 0.00 0.00 53.44 52.93 1n8r n ALA 204 Cb 0.21 -0.48 0.21 0.00 0.00 0.00 0.00 19.45 19.39 1n8r n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1n8r h ARG 205 N 0.00 0.41 0.00 0.00 0.11 -1.30 0.28 114.38 113.88 1n8r h ARG 205 Ca -0.10 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1n8r h ARG 205 Cb 1.05 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1n8r h ARG 205 CO 0.01 0.27 0.00 -1.71 0.10 0.00 0.00 179.97 178.64 1n8r n ASN 206 N -5.02 0.00 -4.75 0.08 5.15 -1.26 -4.62 115.26 104.84 1n8r n ASN 206 Ca 0.16 0.23 -0.42 0.00 -0.60 0.00 0.00 54.58 53.95 1n8r n ASN 206 Cb 0.46 -0.35 -0.01 0.00 -0.53 0.00 0.00 39.78 39.36 1n8r n ASN 206 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1n8r n LEU 207 N -1.35 4.32 -4.65 1.20 4.77 0.96 -4.82 117.00 117.44 1n8r n LEU 207 Ca 0.05 1.20 -0.58 0.00 -0.03 0.00 0.00 56.01 56.65 1n8r n LEU 207 Cb 0.11 -1.58 -0.08 0.00 -2.33 0.00 0.00 43.42 39.54 1n8r n LEU 207 CO 0.10 -0.00 1.41 0.00 -1.33 0.00 0.00 177.39 177.56 1n8r n ALA 208 N 1.01 -0.07 -1.06 -1.18 0.00 -1.26 0.09 120.51 118.04 1n8r n ALA 208 Ca 0.05 0.32 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 1n8r n ALA 208 Cb 0.37 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 1n8r n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8r n GLY 209 N 4.76 0.38 3.87 0.00 0.00 -1.26 -4.57 105.19 108.37 1n8r n GLY 209 Ca 0.31 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1n8r n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r s ALA 210 N -1.55 3.43 -0.01 4.61 0.00 0.11 0.26 121.76 128.61 1n8r s ALA 210 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1n8r s ALA 210 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1n8r s ALA 210 CO 0.00 0.20 -0.07 -0.51 0.00 0.00 0.00 175.76 175.38 1n8r s ASP 211 N -2.82 0.90 0.00 0.00 1.01 -0.64 -4.84 116.67 110.27 1n8r s ASP 211 Ca 0.50 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.66 1n8r s ASP 211 Cb -0.10 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.61 1n8r s ASP 211 CO 0.26 0.06 -0.09 0.68 0.21 0.00 0.00 175.17 176.29 1n8r s VAL 212 N 0.08 3.45 0.26 -1.27 -7.23 -1.26 -0.29 120.40 114.13 1n8r s VAL 212 Ca -0.01 -0.83 -0.08 0.00 -1.81 0.00 0.00 61.98 59.25 1n8r s VAL 212 Cb -0.06 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1n8r s VAL 212 CO -0.00 0.41 0.41 0.00 -0.31 0.00 0.00 175.10 175.61 1n8r s ALA 213 N -0.95 0.24 -0.01 1.32 0.00 0.80 -4.91 121.76 118.24 1n8r s ALA 213 Ca 0.16 -1.17 0.08 0.00 0.00 0.00 0.00 51.96 51.03 1n8r s ALA 213 Cb -0.11 1.15 -0.02 0.00 0.00 0.00 0.00 23.12 24.13 1n8r s ALA 213 CO 0.06 -0.79 -0.25 0.99 0.00 0.00 0.00 175.76 175.77 1n8r s THR 214 N -3.82 2.19 0.30 0.00 2.01 -1.26 -0.03 115.64 115.02 1n8r s THR 214 Ca 0.27 -1.11 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1n8r s THR 214 Cb 0.01 -1.79 0.29 0.00 0.01 0.00 0.00 72.50 71.03 1n8r s THR 214 CO 0.12 0.54 1.72 0.00 -0.69 0.00 0.00 174.62 176.31 1n8r h ALA 215 N 5.35 1.56 -0.05 7.40 0.00 -1.52 0.35 119.26 132.34 1n8r h ALA 215 Ca -0.44 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1n8r h ALA 215 Cb 1.13 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1n8r h ALA 215 CO 0.47 -0.28 -0.29 0.66 0.00 0.00 0.00 179.25 179.80 1n8r h SER 216 N 0.50 0.09 0.00 0.00 4.64 -1.87 -3.32 113.55 113.58 1n8r h SER 216 Ca 0.58 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1n8r h SER 216 Cb 1.08 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1n8r h SER 216 CO -0.49 0.38 0.00 -1.84 -0.87 0.00 0.00 176.83 174.01 1n8r n GLU 217 N -4.16 1.74 -1.64 4.77 0.28 -0.81 -5.06 120.64 115.75 1n8r n GLU 217 Ca -0.02 -1.09 -0.42 0.00 -0.16 0.00 0.00 57.16 55.47 1n8r n GLU 217 Cb 0.36 -0.85 0.00 0.00 1.43 0.00 0.00 31.44 32.38 1n8r n GLU 217 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1n8r n VAL 218 N -0.30 2.24 -4.58 3.84 3.14 0.12 -4.91 118.33 117.87 1n8r n VAL 218 Ca 0.00 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.61 1n8r n VAL 218 Cb 0.29 -1.27 -0.09 0.00 -1.06 0.00 0.00 33.84 31.71 1n8r n VAL 218 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1n8r s ASN 219 N -0.56 3.20 0.49 6.55 2.20 -1.26 -5.03 114.94 120.52 1n8r s ASN 219 Ca 0.60 -1.55 0.24 0.00 -0.94 0.00 0.00 52.86 51.22 1n8r s ASN 219 Cb -0.59 0.22 1.30 0.00 -2.00 0.00 0.00 41.25 40.19 1n8r s ASN 219 CO 0.59 -0.75 1.91 0.74 -2.94 0.00 0.00 177.10 176.64 1n8r h THR 220 N 1.76 0.65 -0.02 0.54 2.02 -1.91 -1.19 112.91 114.77 1n8r h THR 220 Ca -0.40 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 1n8r h THR 220 Cb 1.27 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1n8r h THR 220 CO 0.68 0.03 -0.03 -0.33 0.37 0.00 0.00 175.52 176.25 1n8r h GLU 221 N 0.16 0.04 0.00 6.66 5.08 -1.92 0.11 114.58 124.71 1n8r h GLU 221 Ca 0.39 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1n8r h GLU 221 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1n8r h GLU 221 CO -0.07 0.59 -0.25 0.38 -1.00 0.00 0.00 179.01 178.66 1n8r h ASP 222 N -0.49 0.00 0.22 1.42 3.04 -1.84 0.17 116.42 118.95 1n8r h ASP 222 Ca 0.00 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.49 1n8r h ASP 222 Cb 0.58 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.91 1n8r h ASP 222 CO 0.01 0.25 -1.33 -0.07 -2.04 0.00 0.00 179.24 176.06 1n8r h LEU 223 N 0.00 0.78 -5.97 0.15 4.07 -1.25 -3.40 115.31 109.69 1n8r h LEU 223 Ca -0.00 -0.92 -0.56 0.00 0.08 0.00 0.00 57.88 56.48 1n8r h LEU 223 Cb 0.65 -0.25 -0.40 0.00 1.08 0.00 0.00 40.66 41.73 1n8r h LEU 223 CO 0.03 1.64 -0.94 0.00 -1.08 0.00 0.00 178.44 178.10 1n8r n ALA 224 N -2.71 3.04 -1.60 1.53 0.00 0.37 -3.40 120.51 117.74 1n8r n ALA 224 Ca -0.16 -3.91 -0.54 0.00 0.00 0.00 0.00 53.44 48.83 1n8r n ALA 224 Cb 1.04 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1n8r n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n8r n PRO 225 N 0.86 0.99 -0.93 0.00 -0.04 0.57 -0.08 135.00 136.38 1n8r n PRO 225 Ca 0.25 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1n8r n PRO 225 Cb 0.51 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1n8r n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n8r n GLY 226 N 2.67 0.52 1.43 0.55 0.00 -1.26 -2.74 105.19 106.37 1n8r n GLY 226 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1n8r n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n8r n GLY 227 N -1.92 0.75 3.46 -0.02 0.00 0.89 -5.00 105.19 103.35 1n8r n GLY 227 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1n8r n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8r s ALA 228 N -2.58 3.34 1.00 4.61 0.00 -1.11 -4.25 121.76 122.77 1n8r s ALA 228 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.16 1n8r s ALA 228 Cb 0.00 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 19.82 1n8r s ALA 228 CO 0.00 -2.13 0.91 -2.30 0.00 0.00 0.00 175.76 172.24 1n8r n PRO 229 N 6.48 -0.95 -1.52 0.00 -0.02 -1.26 -4.19 135.00 133.54 1n8r n PRO 229 Ca -0.05 -0.23 -0.00 0.00 -2.02 0.00 0.00 63.50 61.20 1n8r n PRO 229 Cb 0.46 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1n8r n PRO 229 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8r n GLY 230 N 0.77 0.31 3.70 -1.23 0.00 -1.26 -4.70 105.19 102.78 1n8r n GLY 230 Ca 0.08 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1n8r n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n8r s ARG 231 N -3.01 4.16 -0.41 1.61 3.52 -1.22 -4.21 118.95 119.40 1n8r s ARG 231 Ca 0.00 -0.15 -0.31 0.00 -0.13 0.00 0.00 55.73 55.15 1n8r s ARG 231 Cb -0.00 -3.47 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1n8r s ARG 231 CO 0.01 0.18 2.30 -0.11 -0.81 0.00 0.00 175.30 176.87 1n8r n LEU 232 N 3.87 2.31 -4.45 -0.88 7.94 -1.26 -4.85 117.00 119.68 1n8r n LEU 232 Ca -0.14 0.10 -0.27 0.00 -1.11 0.00 0.00 56.01 54.59 1n8r n LEU 232 Cb 0.52 -1.39 -0.11 0.00 0.53 0.00 0.00 43.42 42.96 1n8r n LEU 232 CO 0.37 -0.94 -0.51 -0.89 -1.11 0.00 0.00 177.39 174.32 1n8r s THR 233 N 9.00 2.51 -0.16 1.96 2.01 -1.26 -2.67 115.64 127.03 1n8r s THR 233 Ca 1.07 -2.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.07 1n8r s THR 233 Cb -0.58 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 69.74 1n8r s THR 233 CO 0.39 -0.14 -0.07 0.54 -0.69 0.00 0.00 174.62 174.66 1n8r s VAL 234 N -1.75 1.17 0.57 3.82 0.11 -0.47 -1.85 120.40 122.01 1n8r s VAL 234 Ca 0.22 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 1n8r s VAL 234 Cb -0.08 -1.30 0.07 0.00 -1.53 0.00 0.00 36.38 33.54 1n8r s VAL 234 CO 0.11 0.19 0.79 -0.36 -3.33 0.00 0.00 175.10 172.50 1n8r s PHE 235 N 1.61 2.13 0.03 1.54 0.40 0.48 -0.74 117.98 123.43 1n8r s PHE 235 Ca 0.01 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1n8r s PHE 235 Cb -0.15 -2.58 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 1n8r s PHE 235 CO -0.08 -1.06 -0.14 -0.08 0.70 0.00 0.00 175.22 174.57 1n8r s THR 236 N -2.74 3.12 0.08 0.64 -1.32 -1.08 -2.32 115.64 112.03 1n8r s THR 236 Ca 0.60 -1.03 -0.16 0.00 -1.21 0.00 0.00 61.69 59.90 1n8r s THR 236 Cb -0.08 -2.33 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1n8r s THR 236 CO 0.39 0.36 0.97 1.21 -2.21 0.00 0.00 174.62 175.33 1n8r n GLU 237 N 1.55 -0.22 -0.28 7.08 4.07 0.35 0.64 120.64 133.83 1n8r n GLU 237 Ca -0.16 0.95 -0.03 0.00 -0.06 0.00 0.00 57.16 57.86 1n8r n GLU 237 Cb 0.52 -1.41 0.13 0.00 -0.06 0.00 0.00 31.44 30.62 1n8r n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1n8r h SER 238 N 0.00 1.04 0.45 4.31 0.02 -1.95 -2.94 113.55 114.47 1n8r h SER 238 Ca 0.08 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1n8r h SER 238 Cb 0.21 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1n8r h SER 238 CO -0.48 0.85 -0.46 0.00 -1.14 0.00 0.00 176.83 175.61 1n8r h ALA 239 N 1.31 -1.01 -0.93 3.77 0.00 -0.05 -1.36 119.26 121.00 1n8r h ALA 239 Ca 0.29 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1n8r h ALA 239 Cb 0.07 0.66 -0.17 0.00 0.00 0.00 0.00 17.79 18.34 1n8r h ALA 239 CO -0.04 -1.11 -0.17 1.25 0.00 0.00 0.00 179.25 179.18 1n8r h LEU 240 N -0.91 -0.76 -1.14 0.00 6.46 -0.23 0.23 115.31 118.96 1n8r h LEU 240 Ca -0.05 0.27 -0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1n8r h LEU 240 Cb 0.81 0.55 -0.03 0.00 -0.73 0.00 0.00 40.66 41.26 1n8r h LEU 240 CO -0.07 -0.31 0.19 0.00 -0.62 0.00 0.00 178.44 177.63 1n8r h ALA 241 N 1.92 1.31 -0.05 1.25 0.00 -1.25 -3.07 119.26 119.38 1n8r h ALA 241 Ca 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1n8r h ALA 241 Cb 0.78 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1n8r h ALA 241 CO -0.93 0.50 -0.10 0.93 0.00 0.00 0.00 179.25 179.65 1n8r h GLU 242 N 0.78 0.16 -1.04 0.00 5.08 0.48 -3.18 114.58 116.87 1n8r h GLU 242 Ca 0.18 -0.10 0.28 0.00 -1.00 0.00 0.00 59.36 58.72 1n8r h GLU 242 Cb 0.20 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 1n8r h GLU 242 CO -0.01 0.68 0.63 0.28 -1.00 0.00 0.00 179.01 179.60 1n8r h VAL 243 N -0.35 0.47 -1.27 3.13 2.07 -1.10 -2.05 116.25 117.14 1n8r h VAL 243 Ca 0.00 -0.15 0.38 0.00 0.82 0.00 0.00 66.70 67.74 1n8r h VAL 243 Cb 0.68 -0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 1n8r h VAL 243 CO 0.02 0.08 0.86 0.00 0.02 0.00 0.00 177.57 178.55 1n8r h ALA 244 N 1.70 2.80 -0.56 1.67 0.00 -1.51 0.43 119.26 123.80 1n8r h ALA 244 Ca 0.65 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1n8r h ALA 244 Cb 1.48 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1n8r h ALA 244 CO -0.43 -1.28 0.00 0.39 0.00 0.00 0.00 179.25 177.92 1n8r n GLU 245 N -4.46 2.47 0.00 0.00 1.02 -0.77 -4.72 120.64 114.18 1n8r n GLU 245 Ca 0.31 -2.27 0.15 0.00 -0.02 0.00 0.00 57.16 55.34 1n8r n GLU 245 Cb 1.28 -1.51 0.81 0.00 -0.02 0.00 0.00 31.44 32.01 1n8r n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85