#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3r n SER 2 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.17 113.62 113.62 1n3r n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1n3r n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1n3r n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1n3r n LEU 3 N -0.96 0.00 -4.36 2.46 4.77 -1.26 -4.98 117.00 112.67 1n3r n LEU 3 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 1n3r n LEU 3 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1n3r n LEU 3 CO 0.00 0.00 -0.34 -0.55 -1.33 0.00 0.00 177.39 175.17 1n3r s SER 4 N 1.11 2.12 -0.03 -1.43 0.15 -1.26 -5.09 113.70 109.28 1n3r s SER 4 Ca 0.00 -1.21 -0.11 0.00 0.70 0.00 0.00 55.95 55.33 1n3r s SER 4 Cb 0.00 -0.05 -0.06 0.00 -1.71 0.00 0.00 66.02 64.20 1n3r s SER 4 CO 0.00 -0.46 0.54 0.11 1.20 0.00 0.00 173.24 174.63 1n3r h LYS 5 N 2.41 -0.39 -0.63 5.44 1.57 -2.00 -2.76 116.57 120.21 1n3r h LYS 5 Ca -0.39 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1n3r h LYS 5 Cb 1.23 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1n3r h LYS 5 CO 0.65 -0.26 0.42 0.93 -0.57 0.00 0.00 179.45 180.62 1n3r h GLU 6 N -0.91 0.77 -0.04 3.15 3.07 -1.98 -1.97 114.58 116.66 1n3r h GLU 6 Ca -0.04 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1n3r h GLU 6 Cb 0.31 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1n3r h GLU 6 CO 0.07 0.51 -0.10 0.00 -1.40 0.00 0.00 179.01 178.08 1n3r h ALA 7 N 1.62 -0.08 0.48 3.43 0.00 -1.92 -0.78 119.26 122.01 1n3r h ALA 7 Ca 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1n3r h ALA 7 Cb 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1n3r h ALA 7 CO -0.06 -0.58 -0.41 0.00 0.00 0.00 0.00 179.25 178.19 1n3r h ALA 8 N 0.86 -0.95 -0.78 0.00 0.00 -1.11 0.31 119.26 117.58 1n3r h ALA 8 Ca 0.05 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.98 1n3r h ALA 8 Cb 0.22 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 1n3r h ALA 8 CO -0.13 -1.07 0.04 -0.07 0.00 0.00 0.00 179.25 178.02 1n3r h LEU 9 N -0.89 -0.30 -0.13 0.00 3.38 -1.15 0.11 115.31 116.32 1n3r h LEU 9 Ca -0.05 0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1n3r h LEU 9 Cb 0.77 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1n3r h LEU 9 CO -0.02 -0.18 -0.11 0.58 0.09 0.00 0.00 178.44 178.80 1n3r h VAL 10 N 0.12 1.34 -0.06 1.22 2.07 -0.82 -0.48 116.25 119.64 1n3r h VAL 10 Ca 0.44 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1n3r h VAL 10 Cb 0.79 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1n3r h VAL 10 CO -0.67 0.36 -0.14 -0.74 0.02 0.00 0.00 177.57 176.39 1n3r h HIS 11 N -0.06 -0.37 -0.45 1.57 -0.00 -0.00 -0.16 115.15 115.69 1n3r h HIS 11 Ca 0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.35 1n3r h HIS 11 Cb 0.62 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.18 1n3r h HIS 11 CO 0.08 -0.21 0.05 0.93 -0.00 0.00 0.00 177.93 178.78 1n3r h GLU 12 N -0.21 0.71 0.00 5.26 5.08 -1.06 -0.39 114.58 123.97 1n3r h GLU 12 Ca 0.07 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1n3r h GLU 12 Cb 0.30 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1n3r h GLU 12 CO -0.18 0.69 -0.11 0.00 -1.00 0.00 0.00 179.01 178.41 1n3r h ALA 13 N 1.38 1.21 0.07 3.43 0.00 -0.25 -1.34 119.26 123.76 1n3r h ALA 13 Ca 0.14 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1n3r h ALA 13 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1n3r h ALA 13 CO 0.01 0.14 -1.10 -0.07 0.00 0.00 0.00 179.25 178.22 1n3r h LEU 14 N 0.00 0.23 -2.05 0.00 3.38 -0.10 -3.29 115.31 113.48 1n3r h LEU 14 Ca -0.00 -0.81 0.09 0.00 0.09 0.00 0.00 57.88 57.25 1n3r h LEU 14 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1n3r h LEU 14 CO 0.01 1.47 0.23 0.58 0.09 0.00 0.00 178.44 180.83 1n3r h VAL 15 N -0.58 0.75 0.00 1.22 2.07 -0.84 0.25 116.25 119.12 1n3r h VAL 15 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1n3r h VAL 15 Cb 1.52 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1n3r h VAL 15 CO -0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.58 1n3r n ALA 16 N -2.54 1.06 -2.17 1.67 0.00 -0.53 -2.37 120.51 115.64 1n3r n ALA 16 Ca 0.04 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.51 1n3r n ALA 16 Cb 0.39 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 18.86 1n3r n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n3r n ARG 17 N -1.49 0.16 -1.84 0.00 3.00 0.88 -4.99 116.66 112.38 1n3r n ARG 17 Ca 0.00 -1.70 -0.17 0.00 -0.01 0.00 0.00 57.85 55.97 1n3r n ARG 17 Cb 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 32.46 32.04 1n3r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3r n GLY 18 N 0.10 0.84 0.44 -0.13 0.00 -1.00 -4.83 105.19 100.61 1n3r n GLY 18 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1n3r n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3r n LEU 19 N -2.42 1.70 -4.69 0.99 4.77 -1.12 -4.92 117.00 111.31 1n3r n LEU 19 Ca -0.18 -0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 1n3r n LEU 19 Cb 0.60 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1n3r n LEU 19 CO 0.25 0.31 0.90 -1.61 -1.33 0.00 0.00 177.39 175.91 1n3r s GLU 20 N -2.42 4.37 0.04 3.23 0.41 -1.26 -4.90 118.70 118.17 1n3r s GLU 20 Ca 0.22 1.58 -0.38 0.00 -0.41 0.00 0.00 54.97 55.99 1n3r s GLU 20 Cb 0.19 -3.55 -0.19 0.00 -1.78 0.00 0.00 34.13 28.79 1n3r s GLU 20 CO 0.52 -0.41 1.00 2.41 -0.49 0.00 0.00 175.26 178.29 1n3r n THR 21 N 4.60 0.33 -1.52 3.63 -1.04 -1.26 -4.64 114.28 114.38 1n3r n THR 21 Ca 0.10 -0.08 -0.35 0.00 -2.04 0.00 0.00 64.05 61.68 1n3r n THR 21 Cb 0.47 -0.06 -0.11 0.00 -1.82 0.00 0.00 70.33 68.81 1n3r n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1n3r n PRO 22 N 1.48 0.44 -4.58 -2.82 -0.02 -1.26 -4.92 135.00 123.32 1n3r n PRO 22 Ca 0.19 -0.07 -0.25 0.00 -2.02 0.00 0.00 63.50 61.35 1n3r n PRO 22 Cb 0.12 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.08 1n3r n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n3r s LEU 23 N 9.87 2.18 0.09 2.45 1.02 -1.26 -5.15 118.68 127.89 1n3r s LEU 23 Ca 1.18 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 54.80 1n3r s LEU 23 Cb -0.72 -0.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.52 1n3r s LEU 23 CO 0.38 0.14 0.24 -0.13 0.02 0.00 0.00 176.35 177.00 1n3r s ARG 24 N -1.26 3.44 -0.18 1.70 0.52 -1.26 -5.03 118.95 116.88 1n3r s ARG 24 Ca 0.07 -0.50 -0.32 0.00 -0.52 0.00 0.00 55.73 54.47 1n3r s ARG 24 Cb -0.09 -3.01 -0.09 0.00 0.52 0.00 0.00 34.95 32.28 1n3r s ARG 24 CO 0.02 0.57 2.09 -2.30 0.02 0.00 0.00 175.30 175.71 1n3r n PRO 25 N -0.03 1.96 -0.40 3.54 -0.02 -1.26 -4.83 135.00 133.96 1n3r n PRO 25 Ca -0.06 0.63 0.37 0.00 -2.02 0.00 0.00 63.50 62.42 1n3r n PRO 25 Cb 0.52 -2.88 0.73 0.00 -0.02 0.00 0.00 33.50 31.85 1n3r n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n3r h PRO 26 N 12.33 0.05 0.00 0.52 0.11 -2.07 -3.45 132.00 139.49 1n3r h PRO 26 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1n3r h PRO 26 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1n3r h PRO 26 CO 0.97 0.03 0.00 0.28 -0.21 0.00 0.00 178.00 179.07 1n3r n VAL 27 N -4.22 0.00 -4.73 3.15 0.31 -1.26 -4.70 118.33 106.89 1n3r n VAL 27 Ca 0.30 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.34 1n3r n VAL 27 Cb 1.36 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 34.15 1n3r n VAL 27 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1n3r s HIS 28 N 0.00 2.22 -0.93 3.52 -3.43 -1.26 -5.08 115.29 110.34 1n3r s HIS 28 Ca 0.00 -0.40 -0.19 0.00 -0.80 0.00 0.00 55.06 53.67 1n3r s HIS 28 Cb 0.00 -1.30 0.13 0.00 -1.43 0.00 0.00 32.58 29.98 1n3r s HIS 28 CO 0.00 0.17 1.13 -1.21 -2.00 0.00 0.00 174.74 172.83 1n3r s GLU 29 N -1.45 3.60 0.64 -0.38 2.02 -1.26 -5.01 118.70 116.85 1n3r s GLU 29 Ca 0.11 -1.76 -0.16 0.00 0.02 0.00 0.00 54.97 53.18 1n3r s GLU 29 Cb -0.10 -4.91 -0.01 0.00 0.10 0.00 0.00 34.13 29.21 1n3r s GLU 29 CO 0.03 -1.77 1.13 1.41 0.02 0.00 0.00 175.26 176.07 1n3r s MET 30 N 2.68 2.86 0.06 1.61 -2.45 -1.26 -4.91 119.30 117.88 1n3r s MET 30 Ca 0.33 1.48 -0.30 0.00 -1.25 0.00 0.00 55.69 55.95 1n3r s MET 30 Cb -0.05 -1.95 -0.09 0.00 1.25 0.00 0.00 34.83 33.99 1n3r s MET 30 CO -0.09 -1.22 1.95 0.34 1.05 0.00 0.00 175.02 177.04 1n3r s ASP 31 N -2.33 6.44 0.61 1.11 2.15 -1.26 -4.85 116.67 118.53 1n3r s ASP 31 Ca 0.69 2.70 0.30 0.00 0.43 0.00 0.00 52.55 56.67 1n3r s ASP 31 Cb -0.22 -2.54 1.61 0.00 -0.30 0.00 0.00 42.92 41.47 1n3r s ASP 31 CO 0.39 -1.05 2.00 -1.13 -0.17 0.00 0.00 175.17 175.20 1n3r h ASN 32 N 10.23 0.00 0.37 -0.34 -1.24 -2.01 0.25 115.58 122.85 1n3r h ASN 32 Ca -0.49 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.21 1n3r h ASN 32 Cb 1.23 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.31 1n3r h ASN 32 CO 0.94 0.00 -1.38 -0.33 -1.29 0.00 0.00 177.43 175.37 1n3r h GLU 33 N 0.00 0.46 0.00 6.67 5.08 -2.01 -3.24 114.58 121.54 1n3r h GLU 33 Ca 0.11 -0.77 -0.04 0.00 -1.00 0.00 0.00 59.36 57.67 1n3r h GLU 33 Cb 0.77 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1n3r h GLU 33 CO -0.00 1.36 -0.20 1.15 -1.00 0.00 0.00 179.01 180.32 1n3r h THR 34 N 0.14 0.98 -0.16 1.13 2.02 -0.90 -2.28 112.91 113.83 1n3r h THR 34 Ca -0.21 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.17 1n3r h THR 34 Cb 2.08 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1n3r h THR 34 CO 0.25 0.20 -0.12 0.03 0.37 0.00 0.00 175.52 176.25 1n3r h ARG 35 N 0.00 0.37 -0.54 6.66 3.08 -1.37 -2.18 114.38 120.40 1n3r h ARG 35 Ca -0.00 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1n3r h ARG 35 Cb 0.40 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1n3r h ARG 35 CO 0.03 0.72 0.30 0.87 -1.07 0.00 0.00 179.97 180.81 1n3r h LYS 36 N 0.03 0.76 -0.82 0.04 1.57 -1.52 0.39 116.57 117.02 1n3r h LYS 36 Ca 0.03 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1n3r h LYS 36 Cb 0.63 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1n3r h LYS 36 CO 0.03 0.58 0.54 0.66 -0.57 0.00 0.00 179.45 180.69 1n3r h SER 37 N 0.73 0.89 0.23 0.86 4.64 -1.40 0.36 113.55 119.86 1n3r h SER 37 Ca 0.19 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1n3r h SER 37 Cb 0.05 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1n3r h SER 37 CO -0.03 0.62 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.37 1n3r h LEU 38 N 1.04 -0.26 -0.36 5.97 3.38 -0.71 -2.69 115.31 121.67 1n3r h LEU 38 Ca 0.32 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1n3r h LEU 38 Cb -0.02 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 1n3r h LEU 38 CO -0.08 0.21 -0.40 0.40 0.09 0.00 0.00 178.44 178.66 1n3r h ILE 39 N -0.83 0.15 -0.97 1.22 2.04 0.15 0.17 117.51 119.43 1n3r h ILE 39 Ca -0.03 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.08 1n3r h ILE 39 Cb 0.51 0.15 -0.13 0.00 -0.74 0.00 0.00 36.82 36.61 1n3r h ILE 39 CO 0.05 0.00 0.52 0.00 0.00 0.00 0.00 178.15 178.73 1n3r h ALA 40 N 0.47 1.72 0.28 1.87 0.00 -0.34 -0.07 119.26 123.20 1n3r h ALA 40 Ca 0.14 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1n3r h ALA 40 Cb 0.58 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1n3r h ALA 40 CO -0.54 -0.36 -0.24 0.78 0.00 0.00 0.00 179.25 178.89 1n3r h GLY 41 N 0.47 -0.56 0.57 0.00 0.00 -0.33 0.40 103.07 103.62 1n3r h GLY 41 Ca 0.64 0.27 0.09 0.00 0.00 0.00 0.00 47.33 48.34 1n3r h GLY 41 CO -0.52 -0.23 0.59 0.45 0.00 0.00 0.00 176.54 176.83 1n3r h HIS 42 N -0.54 1.08 -0.33 5.60 -0.00 -0.62 0.13 115.15 120.47 1n3r h HIS 42 Ca -0.02 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1n3r h HIS 42 Cb 0.48 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1n3r h HIS 42 CO -0.14 0.48 -0.14 0.52 -0.00 0.00 0.00 177.93 178.65 1n3r h MET 43 N 1.00 0.58 -0.49 2.45 2.86 -0.61 -0.38 114.93 120.34 1n3r h MET 43 Ca 0.45 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1n3r h MET 43 Cb 0.35 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1n3r h MET 43 CO -0.23 0.70 0.06 1.15 1.06 0.00 0.00 176.91 179.65 1n3r h THR 44 N 0.53 1.23 0.08 2.22 2.02 0.23 -0.82 112.91 118.40 1n3r h THR 44 Ca 0.09 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1n3r h THR 44 Cb 0.55 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1n3r h THR 44 CO 0.03 0.32 -0.04 -0.33 0.37 0.00 0.00 175.52 175.87 1n3r h GLU 45 N 0.74 -0.11 -0.94 6.66 4.39 -0.49 -1.81 114.58 123.01 1n3r h GLU 45 Ca 0.15 0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.04 1n3r h GLU 45 Cb 0.36 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.96 1n3r h GLU 45 CO 0.01 0.34 0.60 0.82 -1.16 0.00 0.00 179.01 179.62 1n3r h ILE 46 N -0.61 0.74 0.00 3.13 2.04 -0.88 1.18 117.51 123.11 1n3r h ILE 46 Ca -0.01 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1n3r h ILE 46 Cb 0.50 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1n3r h ILE 46 CO 0.02 0.11 -0.38 0.24 0.00 0.00 0.00 178.15 178.15 1n3r h MET 47 N 0.62 0.00 0.00 2.37 2.86 -1.12 -2.77 114.93 116.89 1n3r h MET 47 Ca 0.50 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 58.00 1n3r h MET 47 Cb 0.94 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1n3r h MET 47 CO -0.25 0.38 -0.82 1.96 1.06 0.00 0.00 176.91 179.23 1n3r h GLN 48 N 0.00 0.00 0.00 1.72 4.20 0.92 -1.68 115.11 120.27 1n3r h GLN 48 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n3r h GLN 48 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1n3r h GLN 48 CO 0.05 0.55 0.00 1.28 -0.67 0.00 0.00 178.83 180.04 1n3r n LEU 49 N -3.17 0.00 -0.56 1.46 4.77 0.35 -2.78 117.00 117.08 1n3r n LEU 49 Ca -0.01 0.16 0.06 0.00 -0.03 0.00 0.00 56.01 56.19 1n3r n LEU 49 Cb 0.81 -0.16 0.19 0.00 -2.33 0.00 0.00 43.42 41.92 1n3r n LEU 49 CO 0.42 -0.01 0.52 0.18 -1.33 0.00 0.00 177.39 177.17 1n3r n LEU 50 N -1.16 2.97 -2.12 2.23 4.77 -1.07 -4.96 117.00 117.65 1n3r n LEU 50 Ca 0.17 -3.54 -0.13 0.00 -0.03 0.00 0.00 56.01 52.49 1n3r n LEU 50 Cb 0.17 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1n3r n LEU 50 CO 0.19 1.09 -0.15 0.59 -1.33 0.00 0.00 177.39 177.78 1n3r n ASN 51 N -1.16 -3.79 -4.64 -1.43 3.02 -1.12 -4.92 115.26 101.23 1n3r n ASN 51 Ca 0.21 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.56 1n3r n ASN 51 Cb 0.76 -3.31 -0.04 0.00 -0.61 0.00 0.00 39.78 36.58 1n3r n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n3r s LEU 52 N -5.05 4.07 -0.87 3.41 1.43 -0.64 -4.97 118.68 116.06 1n3r s LEU 52 Ca 0.00 1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 53.89 1n3r s LEU 52 Cb 0.00 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1n3r s LEU 52 CO 0.00 -0.60 1.96 -0.62 0.23 0.00 0.00 176.35 177.32 1n3r s ASP 53 N 1.39 5.10 0.00 2.29 2.15 -1.26 -4.58 116.67 121.76 1n3r s ASP 53 Ca 0.37 -0.53 0.10 0.00 0.43 0.00 0.00 52.55 52.92 1n3r s ASP 53 Cb -0.15 -2.56 0.48 0.00 -0.30 0.00 0.00 42.92 40.39 1n3r s ASP 53 CO 0.09 -2.76 1.28 0.18 -0.17 0.00 0.00 175.17 173.79 1n3r n LEU 54 N 14.07 0.00 -0.02 -1.34 4.77 -1.26 -1.82 117.00 131.40 1n3r n LEU 54 Ca 0.38 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1n3r n LEU 54 Cb 0.47 -0.40 0.30 0.00 -2.33 0.00 0.00 43.42 41.47 1n3r n LEU 54 CO 0.61 -0.26 0.98 0.00 -1.33 0.00 0.00 177.39 177.39 1n3r h ALA 55 N 2.42 1.41 -2.41 -1.18 0.00 -1.96 -3.36 119.26 114.17 1n3r h ALA 55 Ca 0.00 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.15 1n3r h ALA 55 Cb 0.14 -0.16 0.15 0.00 0.00 0.00 0.00 17.79 17.91 1n3r h ALA 55 CO 0.00 0.43 -0.08 -3.47 0.00 0.00 0.00 179.25 176.12 1n3r n ASP 56 N -4.31 0.23 0.23 0.00 2.03 -0.76 -4.88 116.55 109.08 1n3r n ASP 56 Ca 0.02 0.91 0.09 0.00 0.52 0.00 0.00 54.79 56.33 1n3r n ASP 56 Cb 0.21 -1.27 0.53 0.00 -0.72 0.00 0.00 41.12 39.88 1n3r n ASP 56 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1n3r h ASP 57 N 0.93 0.00 0.00 1.67 2.03 -1.90 -3.08 116.42 116.07 1n3r h ASP 57 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1n3r h ASP 57 Cb 1.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 1n3r h ASP 57 CO 0.53 0.23 -0.05 -1.28 -1.03 0.00 0.00 179.24 177.64 1n3r h SER 58 N 0.00 0.00 0.00 4.15 0.87 -1.92 -3.36 113.55 113.28 1n3r h SER 58 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1n3r h SER 58 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1n3r h SER 58 CO 0.03 0.20 0.29 -0.07 -0.53 0.00 0.00 176.83 176.76 1n3r h LEU 59 N -0.35 0.00 -1.04 2.23 3.38 -1.90 -2.45 115.31 115.18 1n3r h LEU 59 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1n3r h LEU 59 Cb 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 1n3r h LEU 59 CO 0.00 0.00 0.62 -0.03 0.09 0.00 0.00 178.44 179.12 1n3r h MET 60 N 0.00 0.85 -0.03 1.13 4.05 -1.69 -2.12 114.93 117.13 1n3r h MET 60 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1n3r h MET 60 Cb 0.59 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1n3r h MET 60 CO 0.00 0.56 -0.04 0.39 0.23 0.00 0.00 176.91 178.06 1n3r n GLU 61 N -4.66 2.20 -0.09 0.39 -0.58 -0.92 -4.48 120.64 112.50 1n3r n GLU 61 Ca 0.20 -1.80 -0.10 0.00 -0.42 0.00 0.00 57.16 55.05 1n3r n GLU 61 Cb 0.45 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.83 1n3r n GLU 61 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1n3r h THR 62 N 4.39 1.15 -0.98 2.62 2.02 -1.51 -0.53 112.91 120.07 1n3r h THR 62 Ca 0.00 -0.42 0.09 0.00 0.77 0.00 0.00 66.41 66.85 1n3r h THR 62 Cb 0.95 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 1n3r h THR 62 CO 0.00 0.15 0.63 -0.65 0.37 0.00 0.00 175.52 176.02 1n3r h PRO 63 N 0.33 1.04 0.07 6.66 0.11 -1.79 -0.32 132.00 138.09 1n3r h PRO 63 Ca 0.10 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1n3r h PRO 63 Cb 0.11 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.99 1n3r h PRO 63 CO -0.01 0.69 -0.03 1.25 -0.21 0.00 0.00 178.00 179.68 1n3r h HIS 64 N 1.07 -0.08 -0.35 0.65 -0.00 -1.69 -2.37 115.15 112.37 1n3r h HIS 64 Ca 0.45 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.79 1n3r h HIS 64 Cb 0.30 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 1n3r h HIS 64 CO -0.00 0.12 0.14 0.00 -0.00 0.00 0.00 177.93 178.19 1n3r h ARG 65 N -0.27 0.53 -0.68 5.26 3.08 -0.73 -1.92 114.38 119.65 1n3r h ARG 65 Ca -0.01 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.04 1n3r h ARG 65 Cb 0.24 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 1n3r h ARG 65 CO 0.01 0.52 0.32 0.82 -1.07 0.00 0.00 179.97 180.57 1n3r h ILE 66 N 0.42 0.83 -0.36 2.04 2.04 -1.08 0.27 117.51 121.67 1n3r h ILE 66 Ca 0.12 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1n3r h ILE 66 Cb 0.19 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1n3r h ILE 66 CO -0.01 0.10 0.23 0.00 0.00 0.00 0.00 178.15 178.47 1n3r h ALA 67 N 1.42 0.46 -0.15 1.87 0.00 -1.16 -1.59 119.26 120.11 1n3r h ALA 67 Ca 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1n3r h ALA 67 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n3r h ALA 67 CO -0.27 -0.06 -0.16 -0.22 0.00 0.00 0.00 179.25 178.53 1n3r h LYS 68 N 0.48 0.24 -0.26 0.00 3.11 -0.48 -2.37 116.57 117.30 1n3r h LYS 68 Ca 0.13 -0.06 -0.17 0.00 -2.81 0.00 0.00 60.65 57.74 1n3r h LYS 68 Cb -0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1n3r h LYS 68 CO -0.03 0.41 -0.51 1.98 -2.81 0.00 0.00 179.45 178.49 1n3r h MET 69 N 0.23 0.74 -0.17 1.90 4.05 0.22 -0.97 114.93 120.93 1n3r h MET 69 Ca 0.04 -0.45 -0.17 0.00 -0.28 0.00 0.00 59.70 58.84 1n3r h MET 69 Cb 0.43 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1n3r h MET 69 CO 0.03 1.07 -0.61 1.88 0.23 0.00 0.00 176.91 179.51 1n3r h TYR 70 N 0.58 0.74 0.00 1.39 0.05 -1.11 -0.77 116.97 117.85 1n3r h TYR 70 Ca 0.02 -0.28 -0.10 0.00 0.05 0.00 0.00 58.73 58.42 1n3r h TYR 70 Cb 1.08 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1n3r h TYR 70 CO 0.06 1.04 -0.53 0.28 -1.05 0.00 0.00 178.16 177.96 1n3r h VAL 71 N 0.43 1.42 -0.02 -2.88 2.07 -1.43 -3.34 116.25 112.50 1n3r h VAL 71 Ca -0.01 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1n3r h VAL 71 Cb 1.18 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1n3r h VAL 71 CO 0.12 0.48 -0.25 0.47 0.02 0.00 0.00 177.57 178.41 1n3r n ASP 72 N -4.54 2.15 0.00 0.57 8.00 -0.37 -4.53 116.55 117.83 1n3r n ASP 72 Ca -0.19 -1.58 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1n3r n ASP 72 Cb 0.56 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 1n3r n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3r n GLU 73 N 0.39 0.00 0.30 -1.24 1.02 -0.78 -4.70 120.64 115.63 1n3r n GLU 73 Ca 0.09 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.40 1n3r n GLU 73 Cb 0.44 0.00 0.99 0.00 -0.02 0.00 0.00 31.44 32.85 1n3r n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3r h ILE 74 N 0.00 0.39 -0.51 -3.67 3.07 -1.45 -1.79 117.51 113.56 1n3r h ILE 74 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1n3r h ILE 74 Cb 0.00 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 1n3r h ILE 74 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1n3r n PHE 75 N -3.65 0.70 -0.25 0.16 3.72 -1.24 -2.59 117.46 114.29 1n3r n PHE 75 Ca -0.03 -0.51 0.28 0.00 -0.05 0.00 0.00 57.45 57.15 1n3r n PHE 75 Cb 0.09 -0.02 0.66 0.00 -0.94 0.00 0.00 39.48 39.27 1n3r n PHE 75 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1n3r h SER 76 N 2.96 0.14 0.38 4.37 4.64 -1.15 0.11 113.55 124.99 1n3r h SER 76 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1n3r h SER 76 Cb 0.86 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1n3r h SER 76 CO 0.01 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 1n3r n GLY 77 N -1.66 -0.95 0.05 -0.77 0.00 0.86 -2.38 105.19 100.34 1n3r n GLY 77 Ca 0.22 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.36 1n3r n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3r n LEU 78 N -1.83 0.24 -4.01 0.99 4.77 0.38 -4.51 117.00 113.04 1n3r n LEU 78 Ca 0.02 0.56 -0.31 0.00 -0.03 0.00 0.00 56.01 56.25 1n3r n LEU 78 Cb 0.13 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.53 1n3r n LEU 78 CO 0.12 -0.39 -0.45 -0.62 -1.33 0.00 0.00 177.39 174.72 1n3r s ASP 79 N -3.44 3.98 0.01 -1.43 2.15 -1.00 -4.99 116.67 111.95 1n3r s ASP 79 Ca 0.05 -1.19 0.01 0.00 0.43 0.00 0.00 52.55 51.85 1n3r s ASP 79 Cb 0.09 -1.35 0.05 0.00 -0.30 0.00 0.00 42.92 41.41 1n3r s ASP 79 CO 0.29 -0.19 1.03 -1.22 -0.17 0.00 0.00 175.17 174.90 1n3r n TYR 80 N 4.57 0.03 0.34 -5.34 4.02 -1.26 -0.13 117.16 119.39 1n3r n TYR 80 Ca -0.14 0.02 0.05 0.00 -0.01 0.00 0.00 57.90 57.82 1n3r n TYR 80 Cb 0.44 -0.52 0.20 0.00 -0.02 0.00 0.00 39.34 39.44 1n3r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r n ALA 81 N -1.51 1.45 0.05 -0.72 0.00 -1.26 -0.51 120.51 118.00 1n3r n ALA 81 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.46 1n3r n ALA 81 Cb 0.00 -1.15 0.11 0.00 0.00 0.00 0.00 19.45 18.41 1n3r n ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1n3r n ASN 82 N -1.48 2.54 -4.76 0.00 3.02 0.82 -5.02 115.26 110.38 1n3r n ASN 82 Ca 0.02 -1.81 -0.41 0.00 -0.03 0.00 0.00 54.58 52.36 1n3r n ASN 82 Cb 0.11 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 1n3r n ASN 82 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1n3r n PHE 83 N 0.52 2.95 -0.86 3.10 7.35 0.33 -4.93 117.46 125.91 1n3r n PHE 83 Ca 0.09 0.33 -0.32 0.00 -0.76 0.00 0.00 57.45 56.79 1n3r n PHE 83 Cb 0.37 -2.57 0.15 0.00 0.35 0.00 0.00 39.48 37.77 1n3r n PHE 83 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1n3r n PRO 84 N 1.41 -0.20 -2.80 -7.13 -0.04 -1.26 -4.89 135.00 120.09 1n3r n PRO 84 Ca 0.05 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 1n3r n PRO 84 Cb 0.38 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 1n3r n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3r s LYS 85 N -4.29 3.51 0.33 0.54 1.02 -1.26 -4.94 119.74 114.64 1n3r s LYS 85 Ca 0.68 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 1n3r s LYS 85 Cb -0.25 -4.91 -0.11 0.00 -0.52 0.00 0.00 37.83 32.04 1n3r s LYS 85 CO 0.56 -1.92 1.42 0.42 -0.92 0.00 0.00 175.35 174.92 1n3r s ILE 86 N 3.65 2.42 -0.06 2.17 -1.09 -1.26 -5.02 121.20 122.02 1n3r s ILE 86 Ca 0.35 0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 59.14 1n3r s ILE 86 Cb -0.05 -3.26 0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1n3r s ILE 86 CO -0.06 0.09 0.13 0.42 -1.23 0.00 0.00 174.94 174.28 1n3r s THR 87 N -0.79 -0.04 0.38 2.92 -4.23 -1.26 -5.10 115.64 107.52 1n3r s THR 87 Ca 0.54 0.15 0.06 0.00 -1.18 0.00 0.00 61.69 61.25 1n3r s THR 87 Cb -0.43 -0.21 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 1n3r s THR 87 CO 0.54 0.06 0.03 -0.76 -0.54 0.00 0.00 174.62 173.95 1n3r s LEU 88 N 0.94 2.59 -0.04 4.79 1.43 -1.26 -1.89 118.68 125.24 1n3r s LEU 88 Ca -0.07 -1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 51.63 1n3r s LEU 88 Cb -0.10 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.46 1n3r s LEU 88 CO -0.04 -0.53 0.08 0.27 0.23 0.00 0.00 176.35 176.36 1n3r s ILE 89 N -2.94 -0.04 0.14 -0.59 -4.36 -0.99 -4.96 121.20 107.45 1n3r s ILE 89 Ca 0.35 0.15 -0.33 0.00 -0.26 0.00 0.00 60.65 60.56 1n3r s ILE 89 Cb 0.09 -0.14 -0.17 0.00 1.25 0.00 0.00 42.46 43.49 1n3r s ILE 89 CO 0.17 0.06 0.86 1.21 0.24 0.00 0.00 174.94 177.48 1n3r n GLU 90 N 3.90 0.33 -1.06 0.37 2.13 -1.26 -2.32 120.64 122.73 1n3r n GLU 90 Ca -0.23 0.12 -0.22 0.00 0.66 0.00 0.00 57.16 57.48 1n3r n GLU 90 Cb 0.53 -1.40 -0.10 0.00 0.27 0.00 0.00 31.44 30.73 1n3r n GLU 90 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1n3r n ASN 91 N 1.81 6.29 0.15 4.31 5.15 0.22 -4.64 115.26 128.54 1n3r n ASN 91 Ca 0.18 -2.46 0.17 0.00 -0.60 0.00 0.00 54.58 51.86 1n3r n ASN 91 Cb 0.20 -1.40 0.76 0.00 -0.53 0.00 0.00 39.78 38.81 1n3r n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3r h LYS 92 N 4.04 0.00 -0.06 1.20 1.57 -1.86 -0.02 116.57 121.44 1n3r h LYS 92 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1n3r h LYS 92 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1n3r h LYS 92 CO 0.87 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 178.42 1n3r n MET 93 N -4.08 1.17 -3.82 3.15 2.81 -1.26 -4.92 117.12 110.17 1n3r n MET 93 Ca 0.03 -0.26 -0.30 0.00 -1.81 0.00 0.00 57.70 55.36 1n3r n MET 93 Cb 0.38 -1.17 0.01 0.00 -0.71 0.00 0.00 33.22 31.73 1n3r n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1n3r n LYS 94 N -0.39 -1.06 -2.81 0.03 4.01 -0.02 -4.84 118.16 113.08 1n3r n LYS 94 Ca 0.08 0.47 -0.43 0.00 -0.51 0.00 0.00 58.31 57.92 1n3r n LYS 94 Cb 0.09 -2.07 -0.04 0.00 -0.51 0.00 0.00 35.03 32.50 1n3r n LYS 94 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1n3r s VAL 95 N -3.14 4.34 -1.42 -0.18 1.01 -1.26 -4.85 120.40 114.89 1n3r s VAL 95 Ca 0.14 0.28 0.18 0.00 0.00 0.00 0.00 61.98 62.58 1n3r s VAL 95 Cb -0.08 -4.58 0.54 0.00 0.00 0.00 0.00 36.38 32.26 1n3r s VAL 95 CO 0.85 -1.18 1.45 -0.90 0.00 0.00 0.00 175.10 175.32 1n3r n ASP 96 N 7.61 3.74 -4.81 3.32 5.75 -1.26 -4.08 116.55 126.81 1n3r n ASP 96 Ca 0.02 -2.11 -0.22 0.00 -0.01 0.00 0.00 54.79 52.47 1n3r n ASP 96 Cb 0.47 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 1n3r n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1n3r s GLU 97 N -1.20 2.62 0.28 0.11 0.41 -1.26 -4.95 118.70 114.71 1n3r s GLU 97 Ca 0.41 -1.37 -0.24 0.00 -0.41 0.00 0.00 54.97 53.36 1n3r s GLU 97 Cb 0.23 -2.38 -0.09 0.00 -1.78 0.00 0.00 34.13 30.10 1n3r s GLU 97 CO 0.25 0.11 0.87 0.00 -0.49 0.00 0.00 175.26 176.00 1n3r s MET 98 N -3.94 4.48 -0.22 1.61 0.23 -1.26 -4.28 119.30 115.92 1n3r s MET 98 Ca 0.40 1.18 -0.03 0.00 -1.03 0.00 0.00 55.69 56.20 1n3r s MET 98 Cb -0.05 -2.85 -0.00 0.00 -1.53 0.00 0.00 34.83 30.39 1n3r s MET 98 CO 0.25 0.33 -0.05 0.08 -2.03 0.00 0.00 175.02 173.60 1n3r s VAL 99 N -1.56 3.25 -0.11 5.16 1.01 -0.16 -4.92 120.40 123.07 1n3r s VAL 99 Ca 0.47 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1n3r s VAL 99 Cb -0.18 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1n3r s VAL 99 CO 0.23 0.40 -0.10 -0.89 0.00 0.00 0.00 175.10 174.74 1n3r s THR 100 N 1.45 3.37 -0.40 3.92 2.01 -1.26 -2.01 115.64 122.72 1n3r s THR 100 Ca 0.05 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1n3r s THR 100 Cb -0.14 -2.41 0.11 0.00 0.01 0.00 0.00 72.50 70.06 1n3r s THR 100 CO -0.04 0.54 0.17 -0.69 -0.69 0.00 0.00 174.62 173.91 1n3r s VAL 101 N -0.01 2.96 0.81 3.82 1.01 0.10 -4.99 120.40 124.10 1n3r s VAL 101 Ca -0.02 -2.21 -0.05 0.00 0.00 0.00 0.00 61.98 59.69 1n3r s VAL 101 Cb -0.14 -3.07 0.16 0.00 0.00 0.00 0.00 36.38 33.33 1n3r s VAL 101 CO 0.04 -0.67 1.11 0.00 0.00 0.00 0.00 175.10 175.57 1n3r s ARG 102 N 0.99 1.27 -1.60 2.72 1.70 -1.26 -1.93 118.95 120.84 1n3r s ARG 102 Ca 0.10 -0.95 -0.20 0.00 -0.47 0.00 0.00 55.73 54.20 1n3r s ARG 102 Cb -0.22 -2.18 0.20 0.00 -0.57 0.00 0.00 34.95 32.19 1n3r s ARG 102 CO -0.05 -1.81 0.51 -0.25 -1.08 0.00 0.00 175.30 172.62 1n3r n ASP 103 N -3.15 -1.62 -4.67 -2.89 8.00 -1.21 -4.85 116.55 106.15 1n3r n ASP 103 Ca 0.16 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 1n3r n ASP 103 Cb 0.60 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.25 1n3r n ASP 103 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n3r s ILE 104 N -2.97 3.50 -0.05 0.53 1.01 0.55 -4.81 121.20 118.96 1n3r s ILE 104 Ca 0.71 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.84 1n3r s ILE 104 Cb -0.41 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.49 1n3r s ILE 104 CO 0.87 -0.04 1.95 -0.89 0.00 0.00 0.00 174.94 176.84 1n3r s THR 105 N 3.28 3.15 -0.04 2.92 2.01 -1.26 -0.17 115.64 125.53 1n3r s THR 105 Ca 0.71 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.95 1n3r s THR 105 Cb -0.34 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 1n3r s THR 105 CO 0.29 -0.04 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.71 1n3r s LEU 106 N 5.29 2.06 -0.04 4.42 0.20 -0.14 -4.81 118.68 125.66 1n3r s LEU 106 Ca 0.88 -0.49 -0.02 0.00 0.69 0.00 0.00 54.13 55.19 1n3r s LEU 106 Cb -0.38 -1.35 0.03 0.00 -0.43 0.00 0.00 46.19 44.06 1n3r s LEU 106 CO 0.38 0.28 0.07 0.42 -0.29 0.00 0.00 176.35 177.21 1n3r s THR 107 N -0.39 -0.10 0.25 3.68 -4.23 -1.26 -2.13 115.64 111.45 1n3r s THR 107 Ca 0.03 0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.89 1n3r s THR 107 Cb -0.12 -0.15 -0.01 0.00 1.34 0.00 0.00 72.50 73.56 1n3r s THR 107 CO 0.01 0.14 0.28 -0.24 -0.54 0.00 0.00 174.62 174.27 1n3r n SER 108 N 4.81 -0.76 -3.89 3.99 2.88 -0.57 -4.33 113.62 115.75 1n3r n SER 108 Ca -0.14 -2.49 -0.19 0.00 -1.33 0.00 0.00 58.87 54.72 1n3r n SER 108 Cb 0.50 1.55 -0.16 0.00 -0.75 0.00 0.00 64.21 65.35 1n3r n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3r s THR 109 N -2.84 0.43 0.05 2.46 2.01 -1.26 0.32 115.64 116.81 1n3r s THR 109 Ca 0.25 -0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1n3r s THR 109 Cb 0.00 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1n3r s THR 109 CO 0.18 0.19 1.13 0.00 -0.69 0.00 0.00 174.62 175.43 1n3r h GLU 111 N 6.69 0.00 -0.88 0.00 4.11 -1.27 1.51 114.58 124.73 1n3r h GLU 111 Ca -0.42 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.03 1n3r h GLU 111 Cb 1.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1n3r h GLU 111 CO 0.79 0.21 0.58 0.66 0.07 0.00 0.00 179.01 181.32 1n3r h SER 112 N 0.00 1.00 0.00 3.06 4.64 -1.91 -3.35 113.55 116.99 1n3r h SER 112 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1n3r h SER 112 Cb 0.59 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1n3r h SER 112 CO 0.03 0.72 0.00 1.41 -0.87 0.00 0.00 176.83 178.12 1n3r n HIS 113 N -4.41 0.00 -2.95 4.77 8.25 -1.08 -5.02 115.22 114.79 1n3r n HIS 113 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 1n3r n HIS 113 Cb 0.04 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.18 1n3r n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1n3r n PHE 114 N -0.42 -1.79 -4.31 4.41 3.01 0.51 -4.99 117.46 113.87 1n3r n PHE 114 Ca 0.00 0.48 -0.24 0.00 1.01 0.00 0.00 57.45 58.70 1n3r n PHE 114 Cb 0.02 -4.19 -0.08 0.00 -0.01 0.00 0.00 39.48 35.21 1n3r n PHE 114 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1n3r s VAL 115 N -3.12 3.27 0.26 -4.37 1.01 -1.22 -4.86 120.40 111.37 1n3r s VAL 115 Ca 0.28 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 1n3r s VAL 115 Cb -0.12 -2.71 -0.13 0.00 0.00 0.00 0.00 36.38 33.42 1n3r s VAL 115 CO 0.34 -0.30 1.34 0.41 0.00 0.00 0.00 175.10 176.90 1n3r n THR 116 N -0.58 1.25 -4.72 3.92 -1.04 -1.26 -0.93 114.28 110.92 1n3r n THR 116 Ca -0.08 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.05 61.32 1n3r n THR 116 Cb 0.58 -1.43 -0.17 0.00 -1.82 0.00 0.00 70.33 67.49 1n3r n THR 116 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1n3r s ILE 117 N -0.36 1.73 -0.13 12.58 1.01 0.15 -1.08 121.20 135.09 1n3r s ILE 117 Ca 0.65 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1n3r s ILE 117 Cb -0.64 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1n3r s ILE 117 CO 0.53 0.49 -0.14 -0.62 0.00 0.00 0.00 174.94 175.20 1n3r s ASP 118 N 0.74 2.54 0.25 3.58 2.15 1.00 -1.51 116.67 125.42 1n3r s ASP 118 Ca -0.11 -0.45 -0.08 0.00 0.43 0.00 0.00 52.55 52.34 1n3r s ASP 118 Cb -0.16 -1.11 0.03 0.00 -0.30 0.00 0.00 42.92 41.38 1n3r s ASP 118 CO 0.02 -0.04 0.48 0.61 -0.17 0.00 0.00 175.17 176.07 1n3r n GLY 119 N 4.58 1.50 2.90 2.66 0.00 -0.91 -0.18 105.19 115.76 1n3r n GLY 119 Ca -0.17 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 1n3r n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3r s LYS 120 N -2.13 1.53 0.40 1.61 3.01 -0.53 -0.96 119.74 122.66 1n3r s LYS 120 Ca 0.12 -0.34 -0.08 0.00 -1.01 0.00 0.00 55.97 54.66 1n3r s LYS 120 Cb -0.03 -1.72 -0.05 0.00 -1.01 0.00 0.00 37.83 35.02 1n3r s LYS 120 CO 0.09 -0.31 0.72 0.00 0.51 0.00 0.00 175.35 176.36 1n3r s ALA 121 N 1.68 3.42 -0.09 5.17 0.00 0.77 -2.77 121.76 129.94 1n3r s ALA 121 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1n3r s ALA 121 Cb -0.13 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1n3r s ALA 121 CO -0.08 -0.04 0.05 0.99 0.00 0.00 0.00 175.76 176.68 1n3r s THR 122 N -2.40 0.10 -0.03 0.00 2.01 0.18 -0.33 115.64 115.17 1n3r s THR 122 Ca 0.49 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.69 1n3r s THR 122 Cb -0.10 -0.43 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1n3r s THR 122 CO 0.34 0.08 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.43 1n3r s VAL 123 N 2.08 2.22 0.03 3.82 1.01 -0.81 -1.23 120.40 127.52 1n3r s VAL 123 Ca 0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 1n3r s VAL 123 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1n3r s VAL 123 CO -0.05 0.58 -0.03 0.00 0.00 0.00 0.00 175.10 175.59 1n3r s ALA 124 N -0.58 0.28 -0.05 5.51 0.00 -0.74 0.00 121.76 126.19 1n3r s ALA 124 Ca 0.09 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 1n3r s ALA 124 Cb -0.10 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.28 1n3r s ALA 124 CO -0.00 -0.21 0.78 1.52 0.00 0.00 0.00 175.76 177.85 1n3r s TYR 125 N -2.19 -0.53 -0.37 0.00 1.13 -0.85 -0.51 117.35 114.03 1n3r s TYR 125 Ca -0.08 0.78 -0.09 0.00 -1.41 0.00 0.00 57.07 56.26 1n3r s TYR 125 Cb -0.05 0.46 0.04 0.00 -1.10 0.00 0.00 41.96 41.31 1n3r s TYR 125 CO -0.03 -0.56 0.19 0.42 -2.51 0.00 0.00 175.55 173.05 1n3r s ILE 126 N -1.73 4.29 0.19 -3.49 1.01 -0.84 -0.99 121.20 119.64 1n3r s ILE 126 Ca -0.05 -1.04 -0.33 0.00 0.00 0.00 0.00 60.65 59.23 1n3r s ILE 126 Cb -0.00 -3.45 -0.13 0.00 0.01 0.00 0.00 42.46 38.89 1n3r s ILE 126 CO 0.02 -0.27 1.62 -2.65 0.00 0.00 0.00 174.94 173.66 1n3r n PRO 127 N 4.93 2.40 0.00 2.79 -0.02 -1.26 -4.81 135.00 139.03 1n3r n PRO 127 Ca -0.12 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1n3r n PRO 127 Cb 0.45 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1n3r n PRO 127 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1n3r n LYS 128 N 3.39 0.00 -0.06 -0.52 4.81 -1.26 -4.62 118.16 119.89 1n3r n LYS 128 Ca 0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.59 1n3r n LYS 128 Cb 0.32 -0.05 -0.16 0.00 0.02 0.00 0.00 35.03 35.16 1n3r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3r n ASP 129 N -0.62 0.15 -4.35 3.14 8.00 -1.26 -4.86 116.55 116.76 1n3r n ASP 129 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1n3r n ASP 129 Cb 0.00 1.41 -0.12 0.00 -0.02 0.00 0.00 41.12 42.39 1n3r n ASP 129 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1n3r s SER 130 N -5.00 2.92 -0.26 -2.24 0.01 -1.26 -0.61 113.70 107.25 1n3r s SER 130 Ca -0.09 -0.79 0.02 0.00 1.31 0.00 0.00 55.95 56.40 1n3r s SER 130 Cb 0.09 -0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.19 1n3r s SER 130 CO 0.84 0.07 -0.09 -0.69 0.41 0.00 0.00 173.24 173.77 1n3r s VAL 131 N -1.52 2.33 0.56 3.43 1.01 -0.98 -4.66 120.40 120.58 1n3r s VAL 131 Ca 0.14 -1.55 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 1n3r s VAL 131 Cb -0.08 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1n3r s VAL 131 CO 0.06 -0.02 1.05 -0.51 0.00 0.00 0.00 175.10 175.69 1n3r s ILE 132 N 1.14 3.80 0.09 2.22 2.07 -1.26 -2.36 121.20 126.91 1n3r s ILE 132 Ca -0.08 0.93 -0.31 0.00 -1.41 0.00 0.00 60.65 59.78 1n3r s ILE 132 Cb -0.20 -3.40 -0.08 0.00 0.13 0.00 0.00 42.46 38.91 1n3r s ILE 132 CO -0.05 -0.43 1.54 -0.83 -1.91 0.00 0.00 174.94 173.26 1n3r s GLY 133 N -2.57 1.69 0.08 1.50 0.00 -0.79 -4.92 107.32 102.31 1n3r s GLY 133 Ca 0.65 1.19 -0.19 0.00 0.00 0.00 0.00 44.72 46.36 1n3r s GLY 133 CO 0.32 2.65 1.31 1.41 0.00 0.00 0.00 173.10 178.80 1n3r h LEU 134 N 7.68 -1.12 -1.56 0.66 3.38 -1.93 0.20 115.31 122.61 1n3r h LEU 134 Ca -0.42 0.15 0.39 0.00 0.09 0.00 0.00 57.88 58.09 1n3r h LEU 134 Cb 1.20 0.47 -0.10 0.00 0.09 0.00 0.00 40.66 42.32 1n3r h LEU 134 CO 0.91 -0.21 0.87 0.77 0.09 0.00 0.00 178.44 180.86 1n3r h SER 135 N -0.18 0.23 -0.95 -0.43 4.64 -2.00 0.18 113.55 115.04 1n3r h SER 135 Ca 0.05 0.08 0.15 0.00 -0.47 0.00 0.00 61.79 61.61 1n3r h SER 135 Cb 0.32 0.06 -0.10 0.00 -0.31 0.00 0.00 62.40 62.37 1n3r h SER 135 CO -0.39 -0.06 0.56 0.11 -0.87 0.00 0.00 176.83 176.18 1n3r h LYS 136 N 0.14 0.77 0.45 4.77 1.79 -1.32 0.23 116.57 123.40 1n3r h LYS 136 Ca 0.73 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 59.14 1n3r h LYS 136 Cb 2.36 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 32.82 1n3r h LYS 136 CO -0.27 0.51 -0.40 0.82 -1.08 0.00 0.00 179.45 179.03 1n3r h ILE 137 N 0.80 0.19 -0.71 1.86 2.04 -0.68 0.24 117.51 121.25 1n3r h ILE 137 Ca 0.51 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.58 1n3r h ILE 137 Cb 0.68 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1n3r h ILE 137 CO -0.34 0.00 0.53 0.78 0.00 0.00 0.00 178.15 179.12 1n3r h ASN 138 N -0.85 0.00 0.06 1.72 2.35 -1.34 -1.40 115.58 116.12 1n3r h ASN 138 Ca -0.04 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.46 1n3r h ASN 138 Cb 0.74 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.14 1n3r h ASN 138 CO -0.04 0.00 -0.99 0.03 -1.65 0.00 0.00 177.43 174.78 1n3r h ARG 139 N 0.00 0.57 -0.39 0.81 3.08 0.48 -3.05 114.38 115.89 1n3r h ARG 139 Ca 0.34 -0.69 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 1n3r h ARG 139 Cb 1.39 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 1n3r h ARG 139 CO -0.00 1.29 0.11 0.82 -1.07 0.00 0.00 179.97 181.11 1n3r h ILE 140 N 0.16 1.22 -0.07 2.04 2.04 0.06 0.17 117.51 123.13 1n3r h ILE 140 Ca -0.14 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1n3r h ILE 140 Cb 1.68 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 1n3r h ILE 140 CO 0.19 0.26 -0.11 0.58 0.00 0.00 0.00 178.15 179.07 1n3r h VAL 141 N 0.48 0.70 0.00 1.67 2.07 -1.51 -1.28 116.25 118.38 1n3r h VAL 141 Ca 0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1n3r h VAL 141 Cb 0.28 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1n3r h VAL 141 CO -0.00 0.00 -0.13 1.56 0.02 0.00 0.00 177.57 179.02 1n3r h GLN 142 N -0.16 0.00 -0.22 1.57 1.08 -1.40 -0.58 115.11 115.40 1n3r h GLN 142 Ca 0.07 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.18 1n3r h GLN 142 Cb 0.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1n3r h GLN 142 CO -0.16 0.13 -0.21 0.35 -0.95 0.00 0.00 178.83 177.98 1n3r h PHE 143 N 0.00 0.63 0.00 2.96 3.57 0.44 -2.41 116.94 122.13 1n3r h PHE 143 Ca -0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1n3r h PHE 143 Cb 0.51 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1n3r h PHE 143 CO 0.00 0.87 -0.02 1.19 -2.23 0.00 0.00 178.31 178.12 1n3r n PHE 144 N -4.42 0.73 0.17 0.41 3.72 -0.69 -3.06 117.46 114.33 1n3r n PHE 144 Ca -0.05 0.21 0.10 0.00 -0.05 0.00 0.00 57.45 57.67 1n3r n PHE 144 Cb 0.41 -0.84 0.09 0.00 -0.94 0.00 0.00 39.48 38.20 1n3r n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n3r h ALA 145 N 2.62 0.80 -0.26 4.37 0.00 -1.00 -3.38 119.26 122.41 1n3r h ALA 145 Ca 0.00 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.28 1n3r h ALA 145 Cb 0.69 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1n3r h ALA 145 CO 0.00 0.11 1.81 1.04 0.00 0.00 0.00 179.25 182.21 1n3r n GLN 146 N -2.97 3.26 -3.78 0.00 1.13 -0.92 -4.21 117.38 109.90 1n3r n GLN 146 Ca 0.02 -2.24 -0.08 0.00 -1.94 0.00 0.00 57.00 52.76 1n3r n GLN 146 Cb 0.57 -2.44 -0.02 0.00 0.11 0.00 0.00 30.24 28.46 1n3r n GLN 146 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1n3r s ARG 147 N 0.35 1.63 0.18 -1.09 0.52 -1.07 -0.10 118.95 119.37 1n3r s ARG 147 Ca 0.63 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.63 1n3r s ARG 147 Cb 0.25 0.58 -0.09 0.00 0.52 0.00 0.00 34.95 36.22 1n3r s ARG 147 CO -0.08 -0.73 1.46 -2.14 0.02 0.00 0.00 175.30 173.82 1n3r s PRO 148 N -3.89 4.28 0.32 3.54 0.02 -1.26 -4.00 135.00 134.01 1n3r s PRO 148 Ca 0.10 2.23 0.03 0.00 0.02 0.00 0.00 61.00 63.38 1n3r s PRO 148 Cb -0.04 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1n3r s PRO 148 CO 0.02 -0.47 0.13 -0.65 -0.33 0.00 0.00 177.00 175.70 1n3r s GLN 149 N 0.60 1.65 -0.07 5.54 -1.52 0.35 -4.65 119.66 121.56 1n3r s GLN 149 Ca 0.64 -1.95 -0.01 0.00 -1.95 0.00 0.00 55.36 52.10 1n3r s GLN 149 Cb -0.41 -0.33 0.03 0.00 -0.22 0.00 0.00 33.01 32.08 1n3r s GLN 149 CO 0.35 -0.40 -0.03 0.08 -0.25 0.00 0.00 175.29 175.04 1n3r s VAL 150 N -3.49 0.57 0.35 1.09 1.01 -1.26 -0.87 120.40 117.79 1n3r s VAL 150 Ca 0.33 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.38 1n3r s VAL 150 Cb 0.05 -0.66 0.33 0.00 0.00 0.00 0.00 36.38 36.10 1n3r s VAL 150 CO 0.16 0.28 1.81 -0.61 0.00 0.00 0.00 175.10 176.74 1n3r h GLN 151 N 7.99 0.64 -0.18 2.72 4.15 -1.99 -0.42 115.11 128.02 1n3r h GLN 151 Ca -0.26 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.01 1n3r h GLN 151 Cb 1.13 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1n3r h GLN 151 CO 0.34 0.42 -0.38 0.93 -1.93 0.00 0.00 178.83 178.21 1n3r h GLU 152 N 0.66 0.39 -0.03 1.69 3.07 -1.99 -2.53 114.58 115.83 1n3r h GLU 152 Ca 0.53 -0.18 -0.15 0.00 -0.50 0.00 0.00 59.36 59.05 1n3r h GLU 152 Cb 0.96 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.87 1n3r h GLU 152 CO -0.29 0.72 -0.58 -0.09 -1.40 0.00 0.00 179.01 177.37 1n3r h ARG 153 N 0.33 0.45 -0.02 2.33 2.43 -1.70 -3.07 114.38 115.13 1n3r h ARG 153 Ca 0.03 -0.44 0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1n3r h ARG 153 Cb 0.82 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.43 1n3r h ARG 153 CO 0.07 1.09 -0.45 1.25 -1.51 0.00 0.00 179.97 180.42 1n3r h LEU 154 N -0.02 -1.37 -1.11 3.80 5.85 -1.03 -0.32 115.31 121.10 1n3r h LEU 154 Ca -0.06 0.17 0.20 0.00 0.84 0.00 0.00 57.88 59.02 1n3r h LEU 154 Cb 1.27 0.54 -0.10 0.00 0.37 0.00 0.00 40.66 42.74 1n3r h LEU 154 CO 0.12 -0.47 0.62 0.74 -0.34 0.00 0.00 178.44 179.10 1n3r h THR 155 N -0.59 0.68 0.02 1.05 2.02 -1.54 -1.07 112.91 113.48 1n3r h THR 155 Ca 0.04 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1n3r h THR 155 Cb 0.67 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1n3r h THR 155 CO -0.34 0.12 -0.01 1.56 0.37 0.00 0.00 175.52 177.22 1n3r h GLN 156 N 0.68 -0.03 -0.75 6.66 1.08 -1.10 -2.41 115.11 119.25 1n3r h GLN 156 Ca 0.57 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.79 1n3r h GLN 156 Cb 1.00 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.39 1n3r h GLN 156 CO -0.35 0.23 0.49 1.96 -0.95 0.00 0.00 178.83 180.21 1n3r h GLN 157 N -0.28 0.93 -0.56 1.46 4.20 -0.16 -1.47 115.11 119.23 1n3r h GLN 157 Ca -0.00 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 1n3r h GLN 157 Cb 0.27 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1n3r h GLN 157 CO 0.00 0.62 -0.07 0.82 -0.67 0.00 0.00 178.83 179.53 1n3r h ILE 158 N 0.96 1.27 0.25 2.54 1.08 -1.16 -0.98 117.51 121.46 1n3r h ILE 158 Ca 0.29 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 1n3r h ILE 158 Cb -0.03 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1n3r h ILE 158 CO -0.07 0.44 -0.12 0.25 -0.69 0.00 0.00 178.15 177.95 1n3r h LEU 159 N 0.92 -0.28 0.60 1.44 5.85 -0.86 -2.37 115.31 120.61 1n3r h LEU 159 Ca 0.15 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1n3r h LEU 159 Cb 0.64 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1n3r h LEU 159 CO 0.04 -0.02 -0.35 0.40 -0.34 0.00 0.00 178.44 178.18 1n3r h ILE 160 N -0.55 0.29 -0.89 4.05 1.08 -1.28 0.11 117.51 120.33 1n3r h ILE 160 Ca -0.03 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 64.66 1n3r h ILE 160 Cb 0.40 0.29 -0.13 0.00 -3.07 0.00 0.00 36.82 34.32 1n3r h ILE 160 CO 0.06 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 177.87 1n3r h ALA 161 N -0.53 1.41 -0.19 1.87 0.00 -1.24 0.18 119.26 120.76 1n3r h ALA 161 Ca -0.08 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1n3r h ALA 161 Cb 0.71 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1n3r h ALA 161 CO 0.09 -0.39 -0.72 -0.07 0.00 0.00 0.00 179.25 178.17 1n3r h LEU 162 N 0.34 0.94 -0.75 0.00 3.38 -1.16 -2.35 115.31 115.71 1n3r h LEU 162 Ca 0.56 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 162 Cb 1.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1n3r h LEU 162 CO -0.56 1.38 0.48 1.56 0.09 0.00 0.00 178.44 181.39 1n3r h GLN 163 N 0.57 0.93 0.36 1.13 4.20 0.19 0.12 115.11 122.60 1n3r h GLN 163 Ca -0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1n3r h GLN 163 Cb 1.34 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1n3r h GLN 163 CO 0.15 0.61 -0.17 1.15 -0.67 0.00 0.00 178.83 179.90 1n3r h THR 164 N 0.96 0.00 -0.71 -0.54 2.02 -0.80 -1.54 112.91 112.29 1n3r h THR 164 Ca 0.29 -0.04 0.15 0.00 0.77 0.00 0.00 66.41 67.58 1n3r h THR 164 Cb -0.03 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.25 1n3r h THR 164 CO -0.09 0.00 -0.15 -0.07 0.37 0.00 0.00 175.52 175.58 1n3r h LEU 165 N -0.52 -0.61 -0.52 2.58 3.38 -1.23 0.13 115.31 118.51 1n3r h LEU 165 Ca -0.05 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1n3r h LEU 165 Cb 0.37 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1n3r h LEU 165 CO 0.08 -0.23 0.00 -0.07 0.09 0.00 0.00 178.44 178.32 1n3r h LEU 166 N 0.01 0.00 -1.13 1.67 3.38 -0.84 -3.47 115.31 114.94 1n3r h LEU 166 Ca 0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 1n3r h LEU 166 Cb 0.55 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.36 1n3r h LEU 166 CO -0.72 0.00 -0.29 0.61 0.09 0.00 0.00 178.44 178.13 1n3r n GLY 167 N 0.63 0.29 3.41 0.83 0.00 0.44 -4.53 105.19 106.27 1n3r n GLY 167 Ca 0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1n3r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3r s THR 168 N -3.14 0.02 -0.77 2.61 2.01 -0.80 -4.82 115.64 110.74 1n3r s THR 168 Ca 0.19 -0.14 0.22 0.00 0.31 0.00 0.00 61.69 62.27 1n3r s THR 168 Cb -0.08 -1.02 -0.20 0.00 0.01 0.00 0.00 72.50 71.21 1n3r s THR 168 CO 0.30 -0.08 0.91 0.59 -0.69 0.00 0.00 174.62 175.66 1n3r n ASN 169 N -0.01 0.71 -4.16 3.53 3.02 -1.26 -4.32 115.26 112.76 1n3r n ASN 169 Ca -0.17 -0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 53.36 1n3r n ASN 169 Cb 0.63 1.03 -0.01 0.00 -0.61 0.00 0.00 39.78 40.82 1n3r n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1n3r n ASN 170 N -1.71 4.06 -3.95 6.41 3.02 -1.26 -1.79 115.26 120.03 1n3r n ASN 170 Ca 0.02 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 51.64 1n3r n ASN 170 Cb 0.39 -1.64 -0.12 0.00 -0.61 0.00 0.00 39.78 37.80 1n3r n ASN 170 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1n3r s VAL 171 N 4.75 0.09 -0.02 2.41 1.01 -1.25 -1.99 120.40 125.40 1n3r s VAL 171 Ca 0.54 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1n3r s VAL 171 Cb 0.08 -0.22 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1n3r s VAL 171 CO 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 175.10 174.70 1n3r s ALA 172 N -1.16 0.46 -0.08 5.51 0.00 0.33 -2.39 121.76 124.44 1n3r s ALA 172 Ca -0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.76 1n3r s ALA 172 Cb -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1n3r s ALA 172 CO -0.01 0.03 -0.06 0.08 0.00 0.00 0.00 175.76 175.81 1n3r s VAL 173 N 0.43 0.79 0.03 0.00 1.01 -0.59 -1.79 120.40 120.28 1n3r s VAL 173 Ca -0.05 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1n3r s VAL 173 Cb -0.08 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1n3r s VAL 173 CO -0.00 0.31 -0.21 -0.55 0.00 0.00 0.00 175.10 174.65 1n3r s SER 174 N 1.50 2.50 -0.02 3.32 0.15 -0.36 0.01 113.70 120.81 1n3r s SER 174 Ca -0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1n3r s SER 174 Cb -0.13 -0.22 0.02 0.00 -1.71 0.00 0.00 66.02 63.98 1n3r s SER 174 CO -0.04 0.18 0.02 -0.63 1.20 0.00 0.00 173.24 173.96 1n3r s ILE 175 N -0.75 0.00 -0.22 6.45 1.01 0.17 -0.65 121.20 127.21 1n3r s ILE 175 Ca 0.08 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 1n3r s ILE 175 Cb -0.09 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 1n3r s ILE 175 CO 0.01 0.08 -0.05 -0.62 0.00 0.00 0.00 174.94 174.37 1n3r s ASP 176 N 0.84 4.28 0.05 3.58 2.15 -1.12 -0.38 116.67 126.08 1n3r s ASP 176 Ca -0.07 -0.43 -0.06 0.00 0.43 0.00 0.00 52.55 52.42 1n3r s ASP 176 Cb -0.10 -1.73 -0.01 0.00 -0.30 0.00 0.00 42.92 40.77 1n3r s ASP 176 CO -0.02 -0.03 0.11 0.00 -0.17 0.00 0.00 175.17 175.06 1n3r s ALA 177 N 1.47 -0.04 -0.15 3.66 0.00 0.49 -1.45 121.76 125.73 1n3r s ALA 177 Ca 0.05 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1n3r s ALA 177 Cb -0.14 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1n3r s ALA 177 CO -0.04 -0.37 -0.17 0.08 0.00 0.00 0.00 175.76 175.26 1n3r s VAL 178 N -3.08 2.53 -0.20 0.00 1.01 0.75 -0.72 120.40 120.69 1n3r s VAL 178 Ca -0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1n3r s VAL 178 Cb 0.02 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1n3r s VAL 178 CO -0.07 0.52 0.07 -1.00 0.00 0.00 0.00 175.10 174.62 1n3r s HIS 179 N 0.80 3.21 -1.46 5.22 3.76 -1.26 -0.00 115.29 125.57 1n3r s HIS 179 Ca -0.06 -0.02 0.29 0.00 -0.15 0.00 0.00 55.06 55.13 1n3r s HIS 179 Cb -0.15 -2.12 1.49 0.00 1.11 0.00 0.00 32.58 32.91 1n3r s HIS 179 CO -0.00 0.04 2.02 0.66 -0.85 0.00 0.00 174.74 176.61 1n3r n TYR 180 N 3.88 0.00 0.20 1.40 4.02 -0.24 -0.91 117.16 125.51 1n3r n TYR 180 Ca -0.16 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.80 1n3r n TYR 180 Cb 0.52 -0.27 0.33 0.00 -0.02 0.00 0.00 39.34 39.90 1n3r n TYR 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r n VAL 182 N -3.37 1.53 -0.01 0.00 0.31 -0.88 -4.16 118.33 111.75 1n3r n VAL 182 Ca 0.01 -0.62 -0.19 0.00 -0.01 0.00 0.00 64.34 63.53 1n3r n VAL 182 Cb 0.51 -1.37 -0.14 0.00 -0.91 0.00 0.00 33.84 31.93 1n3r n VAL 182 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1n3r h LYS 183 N 0.01 0.18 -0.40 5.55 3.64 -0.95 -1.73 116.57 122.87 1n3r h LYS 183 Ca -0.55 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.52 1n3r h LYS 183 Cb 1.96 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 1n3r h LYS 183 CO -0.05 1.15 0.00 0.00 -2.27 0.00 0.00 179.45 178.28 1n3r n ALA 184 N -2.82 3.36 -3.23 5.00 0.00 0.73 -4.10 120.51 119.45 1n3r n ALA 184 Ca -0.18 -2.12 -0.10 0.00 0.00 0.00 0.00 53.44 51.04 1n3r n ALA 184 Cb 0.75 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 1n3r n ALA 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n3r s ARG 185 N -2.76 1.29 4.49 0.00 3.52 -1.15 -4.97 118.95 119.38 1n3r s ARG 185 Ca 0.47 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1n3r s ARG 185 Cb 0.37 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 34.27 1n3r s ARG 185 CO 0.12 -0.54 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1n3r n GLY 186 N -0.32 2.35 0.27 8.12 0.00 -1.26 -0.59 105.19 113.76 1n3r n GLY 186 Ca -0.12 0.37 0.13 0.00 0.00 0.00 0.00 46.02 46.40 1n3r n GLY 186 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1n3r h ILE 187 N 0.00 0.56 -5.85 -0.61 6.09 -1.86 -3.47 117.51 112.38 1n3r h ILE 187 Ca 0.00 -0.43 -0.44 0.00 -1.37 0.00 0.00 64.86 62.62 1n3r h ILE 187 Cb 0.00 1.28 0.02 0.00 0.47 0.00 0.00 36.82 38.59 1n3r h ILE 187 CO 0.00 0.10 -0.70 0.54 -3.07 0.00 0.00 178.15 175.02 1n3r n ARG 188 N -3.68 -5.97 -2.04 2.19 1.74 0.25 -4.91 116.66 104.24 1n3r n ARG 188 Ca -0.02 0.70 -0.43 0.00 -0.77 0.00 0.00 57.85 57.33 1n3r n ARG 188 Cb 0.21 -5.62 -0.03 0.00 -1.02 0.00 0.00 32.46 26.00 1n3r n ARG 188 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1n3r s ASP 189 N -3.17 6.48 0.00 0.55 -1.08 -0.70 -4.85 116.67 113.90 1n3r s ASP 189 Ca 0.57 1.94 0.20 0.00 -0.52 0.00 0.00 52.55 54.75 1n3r s ASP 189 Cb -0.28 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.19 1n3r s ASP 189 CO 0.71 -1.12 1.44 0.00 0.52 0.00 0.00 175.17 176.72 1n3r n ALA 190 N 7.94 2.44 -0.10 3.66 0.00 -1.26 -3.91 120.51 129.29 1n3r n ALA 190 Ca 0.19 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1n3r n ALA 190 Cb 0.44 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1n3r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n3r n THR 191 N 1.03 0.00 -2.66 0.00 -2.24 -1.26 -5.08 114.28 104.07 1n3r n THR 191 Ca 0.18 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 1n3r n THR 191 Cb 0.48 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.75 1n3r n THR 191 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1n3r s SER 192 N -0.39 6.78 -0.09 3.42 1.04 -1.26 -5.07 113.70 118.12 1n3r s SER 192 Ca 0.00 1.67 -0.08 0.00 0.48 0.00 0.00 55.95 58.03 1n3r s SER 192 Cb 0.00 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.61 1n3r s SER 192 CO 0.00 -0.48 0.24 0.00 0.98 0.00 0.00 173.24 173.98 1n3r s ALA 193 N -2.31 -0.58 -0.17 5.32 0.00 -1.26 -4.82 121.76 117.94 1n3r s ALA 193 Ca 0.61 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 1n3r s ALA 193 Cb -0.10 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1n3r s ALA 193 CO 0.20 -0.12 0.16 0.99 0.00 0.00 0.00 175.76 176.98 1n3r s THR 194 N 0.29 5.41 -0.23 0.00 2.01 0.10 -4.89 115.64 118.33 1n3r s THR 194 Ca -0.01 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.26 1n3r s THR 194 Cb -0.03 -3.48 0.05 0.00 0.01 0.00 0.00 72.50 69.05 1n3r s THR 194 CO -0.01 0.48 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.38 1n3r s THR 195 N 0.04 2.05 -0.02 -0.82 2.01 -1.25 -0.38 115.64 117.27 1n3r s THR 195 Ca 0.11 -1.39 0.02 0.00 0.31 0.00 0.00 61.69 60.74 1n3r s THR 195 Cb -0.12 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1n3r s THR 195 CO 0.00 0.12 -0.06 0.42 -0.69 0.00 0.00 174.62 174.41 1n3r s THR 196 N 1.19 3.70 -0.03 -0.82 -4.23 0.49 -4.94 115.64 111.01 1n3r s THR 196 Ca -0.05 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1n3r s THR 196 Cb -0.18 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1n3r s THR 196 CO -0.07 0.46 0.06 0.42 -0.54 0.00 0.00 174.62 174.95 1n3r s THR 197 N -0.94 -0.03 -0.20 3.99 -4.23 -1.26 0.42 115.64 113.39 1n3r s THR 197 Ca 0.16 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1n3r s THR 197 Cb -0.11 -0.10 0.03 0.00 1.34 0.00 0.00 72.50 73.66 1n3r s THR 197 CO 0.06 0.05 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.57 1n3r s SER 198 N 0.63 3.46 -0.13 3.99 0.01 0.10 -4.99 113.70 116.78 1n3r s SER 198 Ca -0.05 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.35 1n3r s SER 198 Cb -0.07 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 1n3r s SER 198 CO -0.02 -0.05 -0.05 -0.76 0.41 0.00 0.00 173.24 172.77 1n3r s LEU 199 N 1.24 3.20 0.15 2.44 1.43 -1.26 -1.54 118.68 124.34 1n3r s LEU 199 Ca 0.01 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1n3r s LEU 199 Cb -0.15 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1n3r s LEU 199 CO -0.11 0.22 -0.12 -0.83 0.23 0.00 0.00 176.35 175.74 1n3r s GLY 200 N 0.05 1.16 0.00 -3.19 0.00 -1.00 -4.59 107.32 99.74 1n3r s GLY 200 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1n3r s GLY 200 CO 0.03 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.18 1n3r n GLY 201 N -0.00 1.03 0.37 0.20 0.00 -0.74 -1.34 105.19 104.71 1n3r n GLY 201 Ca -0.11 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.47 1n3r n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 202 N 0.00 0.00 0.00 0.99 3.38 -1.94 0.62 115.31 118.36 1n3r h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3r h LEU 202 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1n3r n PHE 203 N -3.06 0.00 0.04 1.13 3.72 -0.45 -1.29 117.46 117.55 1n3r n PHE 203 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1n3r n PHE 203 Cb 0.66 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1n3r n PHE 203 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1n3r n LYS 204 N -1.10 0.00 -0.06 -1.08 4.81 0.21 -4.49 118.16 116.45 1n3r n LYS 204 Ca 0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 1n3r n LYS 204 Cb 0.09 -0.42 -0.07 0.00 0.02 0.00 0.00 35.03 34.65 1n3r n LYS 204 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1n3r h SER 205 N 0.00 0.43 -3.44 3.14 4.64 -1.42 -3.42 113.55 113.47 1n3r h SER 205 Ca 0.00 -0.47 -0.56 0.00 -0.47 0.00 0.00 61.79 60.28 1n3r h SER 205 Cb 0.35 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.24 1n3r h SER 205 CO 0.00 0.81 0.89 -0.55 -0.87 0.00 0.00 176.83 177.11 1n3r s SER 206 N -6.17 6.51 0.25 4.97 0.15 -0.41 -4.89 113.70 114.11 1n3r s SER 206 Ca -0.14 0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1n3r s SER 206 Cb 0.06 -2.53 0.43 0.00 -1.71 0.00 0.00 66.02 62.27 1n3r s SER 206 CO 0.76 -1.33 1.80 -0.61 1.20 0.00 0.00 173.24 175.05 1n3r h GLN 207 N 9.36 0.72 0.73 5.44 5.75 -1.81 0.35 115.11 135.64 1n3r h GLN 207 Ca -0.24 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.18 1n3r h GLN 207 Cb 1.06 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 29.45 1n3r h GLN 207 CO 1.14 0.48 -0.36 -0.97 -2.65 0.00 0.00 178.83 176.47 1n3r h ASN 208 N 0.74 -0.86 -0.68 -0.69 -1.24 -1.91 -2.64 115.58 108.31 1n3r h ASN 208 Ca 0.41 0.03 -0.06 0.00 0.71 0.00 0.00 56.30 57.39 1n3r h ASN 208 Cb 0.44 0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.69 1n3r h ASN 208 CO -0.28 -0.60 0.19 0.74 -1.29 0.00 0.00 177.43 176.19 1n3r h THR 209 N -0.99 1.26 -0.76 -3.57 2.02 -1.73 -2.69 112.91 106.44 1n3r h THR 209 Ca -0.10 -0.92 0.12 0.00 0.77 0.00 0.00 66.41 66.28 1n3r h THR 209 Cb 0.76 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 1n3r h THR 209 CO 0.16 0.35 0.37 -0.09 0.37 0.00 0.00 175.52 176.68 1n3r h ARG 210 N 1.04 0.56 0.01 6.66 2.43 -0.24 -2.49 114.38 122.36 1n3r h ARG 210 Ca 0.22 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 59.10 1n3r h ARG 210 Cb 0.33 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1n3r h ARG 210 CO -0.00 0.37 -1.03 0.45 -1.51 0.00 0.00 179.97 178.25 1n3r h HIS 211 N 0.58 0.88 -1.08 2.20 3.86 -1.33 -2.81 115.15 117.46 1n3r h HIS 211 Ca 0.40 -0.49 0.29 0.00 -1.16 0.00 0.00 60.37 59.41 1n3r h HIS 211 Cb 0.50 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 28.77 1n3r h HIS 211 CO -0.11 1.32 0.69 0.93 0.86 0.00 0.00 177.93 181.62 1n3r h GLU 212 N 0.32 0.34 0.00 2.45 5.08 -1.11 0.18 114.58 121.85 1n3r h GLU 212 Ca -0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1n3r h GLU 212 Cb 1.68 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1n3r h GLU 212 CO 0.19 0.23 0.00 0.34 -1.00 0.00 0.00 179.01 178.77 1n3r n PHE 213 N -4.67 0.00 -0.35 4.33 7.35 -1.13 -3.71 117.46 119.29 1n3r n PHE 213 Ca 0.27 0.00 0.33 0.00 -0.76 0.00 0.00 57.45 57.29 1n3r n PHE 213 Cb 0.96 -0.41 0.59 0.00 0.35 0.00 0.00 39.48 40.97 1n3r n PHE 213 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1n3r h LEU 214 N 0.00 0.32 0.46 -2.13 3.38 -1.19 -0.57 115.31 115.58 1n3r h LEU 214 Ca 0.00 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1n3r h LEU 214 Cb 0.00 0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1n3r h LEU 214 CO 0.00 -0.37 -0.22 -0.09 0.09 0.00 0.00 178.44 177.85 1n3r h ARG 215 N 0.04 -0.60 -0.77 1.13 2.43 -0.81 -2.90 114.38 112.90 1n3r h ARG 215 Ca 0.84 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 60.05 1n3r h ARG 215 Cb 2.29 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.97 1n3r h ARG 215 CO -0.69 -0.32 0.00 0.00 -1.51 0.00 0.00 179.97 177.45 1n3r n ALA 216 N -2.47 2.13 -2.20 2.80 0.00 -0.24 -4.81 120.51 115.72 1n3r n ALA 216 Ca -0.11 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 1n3r n ALA 216 Cb 0.29 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.76 1n3r n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1n3r s VAL 217 N -0.94 3.47 -0.22 0.00 1.01 -1.08 -4.84 120.40 117.80 1n3r s VAL 217 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1n3r s VAL 217 Cb 0.00 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1n3r s VAL 217 CO 0.00 -0.16 0.13 -1.14 0.00 0.00 0.00 175.10 173.94 1n3r n ARG 218 N -2.05 -3.86 -4.27 2.72 0.00 -1.26 -5.07 116.66 102.87 1n3r n ARG 218 Ca 0.04 3.00 -0.15 0.00 -0.00 0.00 0.00 57.85 60.75 1n3r n ARG 218 Cb 0.59 -4.81 -0.10 0.00 0.00 0.00 0.00 32.46 28.14 1n3r n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3r s HIS 219 N -1.01 1.32 -0.22 -0.14 3.76 -1.26 -5.14 115.29 112.60 1n3r s HIS 219 Ca -0.16 -0.97 -0.04 0.00 -0.15 0.00 0.00 55.06 53.74 1n3r s HIS 219 Cb 0.01 -0.75 0.07 0.00 1.11 0.00 0.00 32.58 33.02 1n3r s HIS 219 CO 0.72 -0.14 0.09 -1.58 -0.85 0.00 0.00 174.74 172.99 1n3r s HIS 220 N -3.56 0.46 0.00 1.40 2.46 -1.26 -4.89 115.29 109.90 1n3r s HIS 220 Ca 0.25 -0.65 0.00 0.00 0.47 0.00 0.00 55.06 55.12 1n3r s HIS 220 Cb 0.06 -0.87 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 1n3r s HIS 220 CO 0.05 -0.64 0.00 0.09 -2.47 0.00 0.00 174.74 171.77