#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 -5.17 113.62 113.61 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 -0.09 0.00 -3.79 2.46 4.77 -1.26 -4.98 117.00 114.11 1n3r n LEU 3 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1n3r n LEU 3 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1n3r n LEU 3 CO 0.00 0.00 -0.14 -0.55 -1.33 0.00 0.00 177.39 175.37 1n3r s SER 4 N 1.00 -0.21 0.13 -1.43 0.15 -1.26 -5.06 113.70 107.01 1n3r s SER 4 Ca 0.00 0.42 -0.31 0.00 0.70 0.00 0.00 55.95 56.76 1n3r s SER 4 Cb 0.00 0.40 -0.10 0.00 -1.71 0.00 0.00 66.02 64.61 1n3r s SER 4 CO 0.00 -0.09 1.52 0.11 1.20 0.00 0.00 173.24 175.98 1n3r h LYS 5 N 6.13 -0.30 -0.83 5.44 1.57 -2.01 0.37 116.57 126.93 1n3r h LYS 5 Ca -0.29 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1n3r h LYS 5 Cb 1.19 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 1n3r h LYS 5 CO 0.38 -0.20 0.49 0.93 -0.57 0.00 0.00 179.45 180.48 1n3r h GLU 6 N -0.31 1.14 -0.42 3.15 3.07 -1.98 0.36 114.58 119.59 1n3r h GLU 6 Ca 0.08 -0.11 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 1n3r h GLU 6 Cb 0.53 -0.23 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 1n3r h GLU 6 CO -0.62 0.81 0.15 0.00 -1.40 0.00 0.00 179.01 177.95 1n3r h ALA 7 N 1.26 0.50 0.28 3.43 0.00 -1.51 -0.20 119.26 123.03 1n3r h ALA 7 Ca 0.30 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1n3r h ALA 7 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n3r h ALA 7 CO -0.05 -0.24 -0.14 0.00 0.00 0.00 0.00 179.25 178.83 1n3r h ALA 8 N 1.27 -0.38 -0.54 0.00 0.00 0.34 -1.31 119.26 118.65 1n3r h ALA 8 Ca 0.19 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1n3r h ALA 8 Cb 0.18 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 1n3r h ALA 8 CO -0.19 -0.68 -0.12 -0.07 0.00 0.00 0.00 179.25 178.18 1n3r h LEU 9 N -0.44 -0.48 -0.24 0.00 3.38 -0.44 -0.55 115.31 116.54 1n3r h LEU 9 Ca -0.04 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1n3r h LEU 9 Cb 0.33 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1n3r h LEU 9 CO 0.06 -0.17 0.13 0.58 0.09 0.00 0.00 178.44 179.13 1n3r h VAL 10 N 0.01 1.13 -0.48 1.22 2.07 -0.91 -2.21 116.25 117.08 1n3r h VAL 10 Ca 0.26 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1n3r h VAL 10 Cb 0.40 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1n3r h VAL 10 CO -0.55 0.12 0.14 -0.74 0.02 0.00 0.00 177.57 176.57 1n3r h HIS 11 N 0.28 0.25 -0.20 1.57 -0.00 -0.36 -1.42 115.15 115.26 1n3r h HIS 11 Ca 0.09 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1n3r h HIS 11 Cb 0.08 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1n3r h HIS 11 CO -0.03 0.06 0.13 0.93 -0.00 0.00 0.00 177.93 179.02 1n3r h GLU 12 N 0.30 0.26 -0.86 5.26 5.08 -0.98 -1.75 114.58 121.88 1n3r h GLU 12 Ca 0.23 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1n3r h GLU 12 Cb 0.27 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1n3r h GLU 12 CO -0.26 0.17 0.57 0.00 -1.00 0.00 0.00 179.01 178.49 1n3r h ALA 13 N 1.08 1.44 -0.13 3.43 0.00 -0.75 0.50 119.26 124.82 1n3r h ALA 13 Ca 0.08 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1n3r h ALA 13 Cb -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.46 1n3r h ALA 13 CO -0.02 0.49 -0.81 -0.07 0.00 0.00 0.00 179.25 178.83 1n3r h LEU 14 N 1.11 0.92 -0.44 0.00 3.38 -1.10 -2.43 115.31 116.76 1n3r h LEU 14 Ca 0.34 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1n3r h LEU 14 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1n3r h LEU 14 CO -0.09 1.42 -0.01 0.58 0.09 0.00 0.00 178.44 180.43 1n3r h VAL 15 N 0.51 1.26 -0.67 1.22 2.07 -0.80 0.37 116.25 120.23 1n3r h VAL 15 Ca -0.06 -1.06 0.17 0.00 0.82 0.00 0.00 66.70 66.56 1n3r h VAL 15 Cb 1.44 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1n3r h VAL 15 CO 0.17 0.36 0.47 0.00 0.02 0.00 0.00 177.57 178.59 1n3r h ALA 16 N 0.90 2.41 -0.07 1.67 0.00 0.07 1.00 119.26 125.24 1n3r h ALA 16 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n3r h ALA 16 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n3r h ALA 16 CO 0.03 -0.60 0.00 -2.13 0.00 0.00 0.00 179.25 176.55 1n3r n ARG 17 N -4.40 2.00 -1.55 0.00 3.00 -0.83 -4.94 116.66 109.94 1n3r n ARG 17 Ca 0.13 -1.82 -0.09 0.00 -0.00 0.00 0.00 57.85 56.07 1n3r n ARG 17 Cb 0.63 -1.41 -0.03 0.00 0.00 0.00 0.00 32.46 31.65 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 1.21 0.72 0.99 5.14 0.00 0.34 -4.91 105.19 108.69 1n3r n GLY 18 Ca 0.13 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.09 3.05 -4.79 0.99 4.77 0.11 -4.96 117.00 115.08 1n3r n LEU 19 Ca -0.09 -1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 54.40 1n3r n LEU 19 Cb 0.38 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1n3r n LEU 19 CO 0.13 0.57 0.72 -1.61 -1.33 0.00 0.00 177.39 175.87 1n3r s GLU 20 N -1.82 4.05 0.25 3.23 0.41 -1.19 -4.85 118.70 118.79 1n3r s GLU 20 Ca 0.32 1.45 -0.31 0.00 -0.41 0.00 0.00 54.97 56.02 1n3r s GLU 20 Cb 0.21 -2.39 -0.13 0.00 -1.78 0.00 0.00 34.13 30.05 1n3r s GLU 20 CO 0.31 -0.23 1.53 2.41 -0.49 0.00 0.00 175.26 178.79 1n3r n THR 21 N -0.37 0.77 -1.53 3.63 -1.04 -1.26 -4.79 114.28 109.68 1n3r n THR 21 Ca 0.06 -0.19 -0.40 0.00 -2.04 0.00 0.00 64.05 61.48 1n3r n THR 21 Cb 0.51 -1.71 -0.06 0.00 -1.82 0.00 0.00 70.33 67.24 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 2.43 0.87 -4.39 -2.82 -0.02 -1.26 -4.93 135.00 124.89 1n3r n PRO 22 Ca 0.12 0.08 -0.22 0.00 -2.02 0.00 0.00 63.50 61.45 1n3r n PRO 22 Cb 0.33 -2.83 -0.11 0.00 -0.02 0.00 0.00 33.50 30.87 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 10.46 2.51 -0.03 2.45 1.02 -1.26 -5.15 118.68 128.67 1n3r s LEU 23 Ca 1.09 -0.95 0.01 0.00 0.02 0.00 0.00 54.13 54.30 1n3r s LEU 23 Cb -0.54 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 44.72 1n3r s LEU 23 CO 0.36 -0.03 -0.02 -0.60 0.02 0.00 0.00 176.35 176.08 1n3r s ARG 24 N -3.18 2.80 -0.32 1.70 3.52 -1.26 -5.04 118.95 117.17 1n3r s ARG 24 Ca 0.22 -0.56 -0.36 0.00 -0.13 0.00 0.00 55.73 54.90 1n3r s ARG 24 Cb -0.05 -2.67 -0.12 0.00 -1.56 0.00 0.00 34.95 30.56 1n3r s ARG 24 CO 0.09 0.65 2.12 -2.30 -0.81 0.00 0.00 175.30 175.05 1n3r n PRO 25 N 1.75 1.15 -0.53 5.12 -0.02 -1.26 -4.77 135.00 136.44 1n3r n PRO 25 Ca -0.16 0.34 0.42 0.00 -2.02 0.00 0.00 63.50 62.08 1n3r n PRO 25 Cb 0.53 -2.42 0.65 0.00 -0.02 0.00 0.00 33.50 32.23 1n3r n PRO 25 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n3r n PRO 26 N 7.77 0.00 0.00 0.52 -0.02 -1.26 -4.80 135.00 137.21 1n3r n PRO 26 Ca 0.38 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.80 1n3r n PRO 26 Cb 0.22 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1n3r n PRO 26 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1n3r n VAL 27 N -3.53 0.00 -4.74 -1.45 0.31 -1.26 -4.66 118.33 103.01 1n3r n VAL 27 Ca 0.35 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.36 1n3r n VAL 27 Cb 1.68 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 34.48 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 2.68 -1.27 3.52 -3.43 -1.26 -5.05 115.29 110.48 1n3r s HIS 28 Ca 0.00 -0.18 -0.19 0.00 -0.80 0.00 0.00 55.06 53.90 1n3r s HIS 28 Cb 0.00 -1.56 0.06 0.00 -1.43 0.00 0.00 32.58 29.65 1n3r s HIS 28 CO 0.00 0.24 1.71 -1.21 -2.00 0.00 0.00 174.74 173.48 1n3r s GLU 29 N -1.11 3.91 0.22 -0.38 2.02 -1.26 -4.96 118.70 117.14 1n3r s GLU 29 Ca 0.14 -1.88 -0.30 0.00 0.02 0.00 0.00 54.97 52.94 1n3r s GLU 29 Cb -0.11 -5.51 -0.10 0.00 0.10 0.00 0.00 34.13 28.51 1n3r s GLU 29 CO 0.03 -2.30 1.46 1.41 0.02 0.00 0.00 175.26 175.88 1n3r s MET 30 N 4.37 4.27 0.47 1.61 -2.45 -1.26 -4.93 119.30 121.37 1n3r s MET 30 Ca 0.54 2.28 -0.22 0.00 -1.25 0.00 0.00 55.69 57.04 1n3r s MET 30 Cb 0.03 -3.13 -0.10 0.00 1.25 0.00 0.00 34.83 32.88 1n3r s MET 30 CO 0.06 -0.45 0.83 -3.47 1.05 0.00 0.00 175.02 173.04 1n3r n ASP 31 N 2.81 0.38 0.13 1.11 2.03 -1.26 -4.85 116.55 116.89 1n3r n ASP 31 Ca 0.09 0.93 -0.02 0.00 0.52 0.00 0.00 54.79 56.30 1n3r n ASP 31 Cb 0.40 -1.28 0.13 0.00 -0.72 0.00 0.00 41.12 39.66 1n3r n ASP 31 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1n3r h ASN 32 N 1.02 0.02 0.79 1.67 -1.24 -2.00 -2.08 115.58 113.75 1n3r h ASN 32 Ca -0.44 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 56.42 1n3r h ASN 32 Cb 1.36 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.39 1n3r h ASN 32 CO 0.53 0.67 -0.65 -0.33 -1.29 0.00 0.00 177.43 176.37 1n3r h GLU 33 N 0.01 0.00 -0.23 6.67 5.08 -2.00 -2.54 114.58 121.57 1n3r h GLU 33 Ca -0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1n3r h GLU 33 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1n3r h GLU 33 CO 0.09 0.65 -0.13 1.15 -1.00 0.00 0.00 179.01 179.77 1n3r h THR 34 N 0.00 1.31 -0.72 1.13 2.02 -1.87 -2.30 112.91 112.47 1n3r h THR 34 Ca -0.01 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.96 1n3r h THR 34 Cb 1.22 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 1n3r h THR 34 CO 0.08 0.37 0.45 0.03 0.37 0.00 0.00 175.52 176.83 1n3r h ARG 35 N 0.21 0.96 -0.50 6.66 3.08 -1.25 0.14 114.38 123.67 1n3r h ARG 35 Ca 0.05 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1n3r h ARG 35 Cb 0.63 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1n3r h ARG 35 CO 0.04 0.66 0.03 0.87 -1.07 0.00 0.00 179.97 180.50 1n3r h LYS 36 N 0.97 0.87 -0.49 0.04 1.57 -1.43 0.83 116.57 118.94 1n3r h LYS 36 Ca 0.26 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1n3r h LYS 36 Cb -0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1n3r h LYS 36 CO -0.05 0.89 0.03 0.66 -0.57 0.00 0.00 179.45 180.41 1n3r h SER 37 N 0.74 0.75 -0.41 0.86 4.64 -1.06 0.24 113.55 119.30 1n3r h SER 37 Ca 0.15 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1n3r h SER 37 Cb 0.48 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1n3r h SER 37 CO 0.02 0.80 0.11 -0.07 -0.87 0.00 0.00 176.83 176.82 1n3r h LEU 38 N 0.74 0.62 -0.60 5.97 3.38 -0.47 -1.44 115.31 123.51 1n3r h LEU 38 Ca 0.15 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1n3r h LEU 38 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1n3r h LEU 38 CO 0.01 0.68 -0.33 0.40 0.09 0.00 0.00 178.44 179.30 1n3r h ILE 39 N 0.53 1.28 0.00 1.22 2.04 -0.42 -2.37 117.51 119.79 1n3r h ILE 39 Ca 0.13 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1n3r h ILE 39 Cb 0.30 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1n3r h ILE 39 CO -0.00 0.48 -0.13 0.00 0.00 0.00 0.00 178.15 178.51 1n3r h ALA 40 N 1.00 1.57 -0.04 1.87 0.00 -0.35 -0.35 119.26 122.96 1n3r h ALA 40 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1n3r h ALA 40 Cb 0.86 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1n3r h ALA 40 CO 0.07 0.16 -0.36 0.78 0.00 0.00 0.00 179.25 179.91 1n3r h GLY 41 N 0.53 0.35 1.46 0.00 0.00 -0.75 -0.97 103.07 103.68 1n3r h GLY 41 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1n3r h GLY 41 CO 0.02 0.47 0.05 0.45 0.00 0.00 0.00 176.54 177.53 1n3r h HIS 42 N -0.22 0.69 -0.12 5.60 3.86 -1.12 -0.82 115.15 123.02 1n3r h HIS 42 Ca -0.03 -0.07 -0.13 0.00 -1.16 0.00 0.00 60.37 58.98 1n3r h HIS 42 Cb 1.04 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 1n3r h HIS 42 CO 0.14 0.63 -0.49 0.52 0.86 0.00 0.00 177.93 179.60 1n3r h MET 43 N 0.64 0.31 -0.30 2.45 2.86 -1.07 0.19 114.93 120.01 1n3r h MET 43 Ca 0.14 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1n3r h MET 43 Cb 0.33 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1n3r h MET 43 CO 0.01 0.73 0.10 1.15 1.06 0.00 0.00 176.91 179.96 1n3r h THR 44 N 0.25 1.19 0.17 2.22 2.02 -0.22 -0.77 112.91 117.77 1n3r h THR 44 Ca 0.01 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1n3r h THR 44 Cb 0.95 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1n3r h THR 44 CO 0.08 0.20 -0.12 -0.33 0.37 0.00 0.00 175.52 175.73 1n3r h GLU 45 N 0.32 -0.28 -0.47 6.66 4.39 -0.75 -2.05 114.58 122.40 1n3r h GLU 45 Ca 0.10 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.91 1n3r h GLU 45 Cb 0.22 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.85 1n3r h GLU 45 CO -0.01 -0.19 -0.05 0.82 -1.16 0.00 0.00 179.01 178.43 1n3r h ILE 46 N -0.29 0.59 -0.17 3.13 2.04 -0.49 0.11 117.51 122.42 1n3r h ILE 46 Ca -0.01 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1n3r h ILE 46 Cb 0.25 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1n3r h ILE 46 CO 0.00 0.01 0.02 0.24 0.00 0.00 0.00 178.15 178.43 1n3r h MET 47 N 0.06 0.24 0.00 2.37 2.86 -0.90 -1.46 114.93 118.11 1n3r h MET 47 Ca 0.23 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.69 1n3r h MET 47 Cb 0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1n3r h MET 47 CO -0.43 0.25 -0.73 1.96 1.06 0.00 0.00 176.91 179.02 1n3r h GLN 48 N 0.25 0.00 0.00 1.72 4.20 -0.29 -2.28 115.11 118.71 1n3r h GLN 48 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1n3r h GLN 48 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1n3r h GLN 48 CO -0.00 0.73 0.00 1.28 -0.67 0.00 0.00 178.83 180.17 1n3r n LEU 49 N -3.42 0.00 -0.27 1.46 4.77 0.19 -1.72 117.00 118.01 1n3r n LEU 49 Ca 0.00 0.06 0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1n3r n LEU 49 Cb 0.77 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.88 1n3r n LEU 49 CO 0.43 -0.02 0.56 0.18 -1.33 0.00 0.00 177.39 177.21 1n3r n LEU 50 N -1.06 2.44 -2.27 2.23 4.77 -0.93 -4.99 117.00 117.19 1n3r n LEU 50 Ca 0.15 -2.14 -0.19 0.00 -0.03 0.00 0.00 56.01 53.79 1n3r n LEU 50 Cb 0.09 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1n3r n LEU 50 CO 0.13 0.60 -0.23 0.59 -1.33 0.00 0.00 177.39 177.15 1n3r n ASN 51 N -0.24 -5.39 -4.87 -1.43 3.02 -0.70 -4.98 115.26 100.67 1n3r n ASN 51 Ca 0.06 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 1n3r n ASN 51 Cb 0.38 -4.55 0.01 0.00 -0.61 0.00 0.00 39.78 35.00 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 -5.72 3.27 -0.65 3.41 1.43 -0.90 -5.02 118.68 114.50 1n3r s LEU 52 Ca 0.00 1.41 -0.08 0.00 -1.03 0.00 0.00 54.13 54.43 1n3r s LEU 52 Cb 0.00 -4.45 0.17 0.00 0.03 0.00 0.00 46.19 41.94 1n3r s LEU 52 CO 0.00 -0.84 0.51 -0.62 0.23 0.00 0.00 176.35 175.63 1n3r s ASP 53 N -4.12 5.80 0.00 2.29 -1.08 -1.26 -4.72 116.67 113.58 1n3r s ASP 53 Ca 0.55 -2.57 0.09 0.00 -0.52 0.00 0.00 52.55 50.09 1n3r s ASP 53 Cb -0.11 -2.00 0.45 0.00 -1.46 0.00 0.00 42.92 39.80 1n3r s ASP 53 CO 0.52 -0.51 1.15 0.18 0.52 0.00 0.00 175.17 177.03 1n3r n LEU 54 N 3.98 0.00 0.06 -1.34 4.77 -1.26 -1.08 117.00 122.13 1n3r n LEU 54 Ca 0.06 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1n3r n LEU 54 Cb 0.41 -0.28 0.49 0.00 -2.33 0.00 0.00 43.42 41.72 1n3r n LEU 54 CO 0.36 -0.20 0.91 0.00 -1.33 0.00 0.00 177.39 177.13 1n3r n ALA 55 N -1.28 2.23 -2.65 -1.18 0.00 -1.26 -3.72 120.51 112.65 1n3r n ALA 55 Ca 0.04 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1n3r n ALA 55 Cb 0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 1n3r n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1n3r s ASP 56 N -3.84 7.02 0.43 0.00 2.15 -0.24 -4.90 116.67 117.28 1n3r s ASP 56 Ca 0.11 1.25 0.37 0.00 0.43 0.00 0.00 52.55 54.71 1n3r s ASP 56 Cb 0.15 -2.52 1.37 0.00 -0.30 0.00 0.00 42.92 41.61 1n3r s ASP 56 CO 0.54 -0.68 1.29 -0.90 -0.17 0.00 0.00 175.17 175.26 1n3r n ASP 57 N 6.35 0.06 0.13 -0.34 5.75 -1.26 -1.28 116.55 125.97 1n3r n ASP 57 Ca 0.11 0.94 -0.06 0.00 -0.01 0.00 0.00 54.79 55.77 1n3r n ASP 57 Cb 0.46 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1n3r n ASP 57 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1n3r h SER 58 N 0.00 -0.33 0.35 -1.12 0.87 -1.93 -3.35 113.55 108.04 1n3r h SER 58 Ca 0.76 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 61.28 1n3r h SER 58 Cb 2.86 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 64.90 1n3r h SER 58 CO -0.15 -0.06 -0.25 -0.07 -0.53 0.00 0.00 176.83 175.77 1n3r h LEU 59 N -0.73 0.00 -1.57 2.23 3.38 -1.48 -3.33 115.31 113.81 1n3r h LEU 59 Ca -0.04 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.33 1n3r h LEU 59 Cb 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1n3r h LEU 59 CO 0.06 0.25 1.21 -0.03 0.09 0.00 0.00 178.44 180.03 1n3r h MET 60 N 0.00 0.00 -0.19 1.13 4.05 -1.31 0.28 114.93 118.88 1n3r h MET 60 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1n3r h MET 60 Cb 0.49 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1n3r h MET 60 CO 0.03 0.00 0.00 0.39 0.23 0.00 0.00 176.91 177.56 1n3r n GLU 61 N -3.63 1.75 -0.16 0.39 -0.58 -1.25 -4.60 120.64 112.56 1n3r n GLU 61 Ca 0.31 -1.66 -0.09 0.00 -0.42 0.00 0.00 57.16 55.30 1n3r n GLU 61 Cb 1.63 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 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 2.33 1.24 -0.18 2.62 2.02 -0.67 0.14 112.91 120.42 1n3r h THR 62 Ca 0.00 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1n3r h THR 62 Cb 0.63 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.90 1n3r h THR 62 CO 0.00 0.30 -0.12 -0.65 0.37 0.00 0.00 175.52 175.42 1n3r h PRO 63 N 0.63 -0.11 -0.92 6.66 0.11 -1.81 0.17 132.00 136.72 1n3r h PRO 63 Ca 0.14 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1n3r h PRO 63 Cb 0.35 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 1n3r h PRO 63 CO 0.00 -0.08 0.54 1.25 -0.21 0.00 0.00 178.00 179.51 1n3r h HIS 64 N -0.12 1.23 0.07 0.65 -0.00 -1.79 -2.47 115.15 112.72 1n3r h HIS 64 Ca 0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1n3r h HIS 64 Cb 0.27 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 1n3r h HIS 64 CO -0.27 0.83 -0.03 0.00 -0.00 0.00 0.00 177.93 178.46 1n3r h ARG 65 N 1.28 -0.09 -0.83 5.26 3.08 0.01 -2.88 114.38 120.21 1n3r h ARG 65 Ca 0.33 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.50 1n3r h ARG 65 Cb -0.03 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 1n3r h ARG 65 CO -0.06 0.27 0.45 0.82 -1.07 0.00 0.00 179.97 180.38 1n3r h ILE 66 N -0.47 0.82 -0.08 2.04 2.04 -0.62 -0.19 117.51 121.05 1n3r h ILE 66 Ca -0.01 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1n3r h ILE 66 Cb 0.41 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1n3r h ILE 66 CO 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 178.15 178.25 1n3r h ALA 67 N 1.50 0.03 -0.65 1.87 0.00 -1.41 0.20 119.26 120.80 1n3r h ALA 67 Ca 0.43 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1n3r h ALA 67 Cb 0.50 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1n3r h ALA 67 CO -0.30 -0.51 0.25 -0.22 0.00 0.00 0.00 179.25 178.47 1n3r h LYS 68 N -0.04 0.95 -0.52 0.00 3.11 -1.19 -1.13 116.57 117.76 1n3r h LYS 68 Ca 0.05 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 57.69 1n3r h LYS 68 Cb 0.10 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.15 1n3r h LYS 68 CO -0.10 0.78 0.17 1.98 -2.81 0.00 0.00 179.45 179.47 1n3r h MET 69 N 0.93 0.80 0.69 1.90 4.05 -0.51 -0.10 114.93 122.69 1n3r h MET 69 Ca 0.22 -0.17 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 1n3r h MET 69 Cb 0.19 -0.12 0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1n3r h MET 69 CO -0.02 0.73 -0.33 1.88 0.23 0.00 0.00 176.91 179.40 1n3r h TYR 70 N 0.70 -0.86 0.41 1.39 0.05 -0.39 0.17 116.97 118.45 1n3r h TYR 70 Ca 0.17 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 1n3r h TYR 70 Cb 0.26 0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1n3r h TYR 70 CO 0.01 -0.50 -0.20 0.28 -1.05 0.00 0.00 178.16 176.70 1n3r h VAL 71 N -1.15 0.40 0.03 -2.88 2.07 -1.28 -3.01 116.25 110.42 1n3r h VAL 71 Ca -0.09 -0.61 -0.24 0.00 0.82 0.00 0.00 66.70 66.58 1n3r h VAL 71 Cb 0.74 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1n3r h VAL 71 CO 0.16 0.08 -1.19 0.44 0.02 0.00 0.00 177.57 177.07 1n3r h ASP 72 N -0.98 0.10 0.00 0.57 3.32 -1.20 -3.33 116.42 114.90 1n3r h ASP 72 Ca -0.06 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1n3r h ASP 72 Cb 0.55 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1n3r h ASP 72 CO 0.09 1.09 0.00 -0.62 -1.72 0.00 0.00 179.24 178.09 1n3r n GLU 73 N -3.34 0.00 0.00 3.56 1.02 -0.70 -4.44 120.64 116.74 1n3r n GLU 73 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1n3r n GLU 73 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.40 1n3r n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1n3r n ILE 74 N 0.00 1.54 -0.41 -3.67 -5.35 0.53 -1.83 119.36 110.17 1n3r n ILE 74 Ca 0.00 0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.87 1n3r n ILE 74 Cb 0.00 -1.39 0.00 0.00 -1.74 0.00 0.00 39.64 36.51 1n3r n ILE 74 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1n3r n PHE 75 N -1.38 0.00 0.21 4.28 3.72 -1.14 -3.11 117.46 120.04 1n3r n PHE 75 Ca 0.00 -0.17 0.08 0.00 -0.05 0.00 0.00 57.45 57.31 1n3r n PHE 75 Cb 0.01 -0.02 0.42 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.00 0.00 0.37 4.37 4.64 -1.36 0.19 113.55 121.76 1n3r h SER 76 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3r h SER 76 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1n3r h SER 76 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1n3r n GLY 77 N -1.27 -0.97 0.20 -0.77 0.00 0.20 -2.74 105.19 99.84 1n3r n GLY 77 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1n3r n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 78 N 0.00 0.00 -8.63 0.99 3.38 -0.72 -3.43 115.31 106.89 1n3r h LEU 78 Ca 0.00 -0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 1n3r h LEU 78 Cb 0.19 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.72 1n3r h LEU 78 CO 0.00 0.00 -0.59 -0.62 0.09 0.00 0.00 178.44 177.32 1n3r s ASP 79 N -5.96 5.37 0.00 -0.43 -1.08 -1.11 -4.95 116.67 108.51 1n3r s ASP 79 Ca 0.07 -0.31 0.16 0.00 -0.52 0.00 0.00 52.55 51.95 1n3r s ASP 79 Cb 0.06 -1.97 0.95 0.00 -1.46 0.00 0.00 42.92 40.51 1n3r s ASP 79 CO 0.67 -0.09 1.37 -1.22 0.52 0.00 0.00 175.17 176.42 1n3r n TYR 80 N 4.96 0.00 0.48 -5.34 4.02 -1.26 -1.47 117.16 118.54 1n3r n TYR 80 Ca -0.15 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.87 1n3r n TYR 80 Cb 0.51 0.00 0.46 0.00 -0.02 0.00 0.00 39.34 40.28 1n3r n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n3r h ALA 81 N 3.02 1.00 -0.74 -0.72 0.00 -1.92 -2.34 119.26 117.55 1n3r h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n3r h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n3r h ALA 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1n3r n ASN 82 N -2.32 4.03 -4.75 0.00 3.02 -0.54 -4.98 115.26 109.71 1n3r n ASN 82 Ca 0.03 -2.02 -0.37 0.00 -0.03 0.00 0.00 54.58 52.19 1n3r n ASN 82 Cb 0.32 -0.50 0.03 0.00 -0.61 0.00 0.00 39.78 39.02 1n3r n ASN 82 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1n3r s PHE 83 N -1.04 2.44 0.31 3.10 5.36 -0.88 -4.94 117.98 122.32 1n3r s PHE 83 Ca 0.50 1.45 -0.28 0.00 -0.96 0.00 0.00 56.93 57.64 1n3r s PHE 83 Cb 0.26 -3.62 -0.09 0.00 -0.34 0.00 0.00 43.02 39.23 1n3r s PHE 83 CO 0.33 -2.41 1.09 -1.25 -1.46 0.00 0.00 175.22 171.53 1n3r s PRO 84 N -2.99 4.52 -0.16 10.12 0.04 -1.26 -4.94 135.00 140.33 1n3r s PRO 84 Ca 0.72 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 63.21 1n3r s PRO 84 Cb -0.35 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1n3r s PRO 84 CO 0.41 0.12 1.78 0.15 0.04 0.00 0.00 177.00 179.49 1n3r s LYS 85 N -1.70 3.79 0.29 4.56 1.02 -1.26 -4.95 119.74 121.50 1n3r s LYS 85 Ca 0.48 1.94 -0.14 0.00 0.02 0.00 0.00 55.97 58.26 1n3r s LYS 85 Cb -0.30 -4.11 -0.09 0.00 -0.52 0.00 0.00 37.83 32.82 1n3r s LYS 85 CO 0.38 -1.32 0.70 0.42 -0.92 0.00 0.00 175.35 174.61 1n3r s ILE 86 N 5.45 4.72 -0.17 2.17 -1.09 -1.26 -4.99 121.20 126.03 1n3r s ILE 86 Ca 0.79 0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 59.99 1n3r s ILE 86 Cb -0.30 -3.63 0.06 0.00 -1.58 0.00 0.00 42.46 37.00 1n3r s ILE 86 CO 0.32 -0.12 0.43 0.42 -1.23 0.00 0.00 174.94 174.76 1n3r s THR 87 N -1.90 -0.02 0.25 2.92 -4.23 -1.26 -5.10 115.64 106.30 1n3r s THR 87 Ca 0.52 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.15 1n3r s THR 87 Cb -0.11 -0.63 -0.05 0.00 1.34 0.00 0.00 72.50 73.05 1n3r s THR 87 CO 0.18 0.03 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.47 1n3r s LEU 88 N 1.07 2.42 0.01 4.79 1.43 -1.26 -1.43 118.68 125.71 1n3r s LEU 88 Ca -0.07 -1.16 0.03 0.00 -1.03 0.00 0.00 54.13 51.90 1n3r s LEU 88 Cb -0.07 -0.53 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1n3r s LEU 88 CO -0.09 -0.36 -0.10 0.27 0.23 0.00 0.00 176.35 176.30 1n3r s ILE 89 N -3.13 0.75 0.26 -0.59 -4.36 -0.50 -4.94 121.20 108.69 1n3r s ILE 89 Ca 0.27 -0.57 -0.30 0.00 -0.26 0.00 0.00 60.65 59.80 1n3r s ILE 89 Cb 0.03 -0.66 -0.14 0.00 1.25 0.00 0.00 42.46 42.95 1n3r s ILE 89 CO 0.10 0.09 1.14 1.21 0.24 0.00 0.00 174.94 177.72 1n3r n GLU 90 N 2.53 1.52 -1.16 0.37 2.13 -1.26 -0.55 120.64 124.22 1n3r n GLU 90 Ca -0.15 0.54 -0.24 0.00 0.66 0.00 0.00 57.16 57.97 1n3r n GLU 90 Cb 0.56 -2.01 -0.11 0.00 0.27 0.00 0.00 31.44 30.16 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 1.48 6.70 0.31 4.31 5.15 -0.55 -4.50 115.26 128.15 1n3r n ASN 91 Ca 0.10 -2.56 0.18 0.00 -0.60 0.00 0.00 54.58 51.70 1n3r n ASN 91 Cb 0.31 -1.46 1.01 0.00 -0.53 0.00 0.00 39.78 39.10 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 3.79 0.00 0.00 1.20 1.57 -1.87 0.86 116.57 122.12 1n3r h LYS 92 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1n3r h LYS 92 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1n3r h LYS 92 CO 0.87 0.02 0.00 -1.33 -0.57 0.00 0.00 179.45 178.44 1n3r n MET 93 N -3.45 0.30 -3.78 3.15 2.81 -1.26 -4.93 117.12 109.97 1n3r n MET 93 Ca -0.03 0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.61 1n3r n MET 93 Cb 0.11 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.14 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 -1.34 -2.69 -2.51 0.03 4.01 0.29 -4.87 118.16 111.08 1n3r n LYS 94 Ca 0.12 0.47 -0.42 0.00 -0.51 0.00 0.00 58.31 57.97 1n3r n LYS 94 Cb 0.25 -4.49 -0.02 0.00 -0.51 0.00 0.00 35.03 30.26 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 -3.68 3.98 -1.42 -0.18 1.01 -1.26 -4.81 120.40 114.03 1n3r s VAL 95 Ca 0.21 0.90 0.15 0.00 0.00 0.00 0.00 61.98 63.24 1n3r s VAL 95 Cb -0.07 -4.59 0.36 0.00 0.00 0.00 0.00 36.38 32.07 1n3r s VAL 95 CO 0.86 -1.20 1.27 -0.90 0.00 0.00 0.00 175.10 175.14 1n3r n ASP 96 N 8.67 3.07 -4.61 3.32 5.75 -1.26 -4.11 116.55 127.37 1n3r n ASP 96 Ca 0.11 -1.92 -0.26 0.00 -0.01 0.00 0.00 54.79 52.71 1n3r n ASP 96 Cb 0.49 -0.25 -0.08 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.06 2.19 0.33 0.11 0.41 -1.26 -4.93 118.70 114.48 1n3r s GLU 97 Ca 0.29 -1.28 -0.29 0.00 -0.41 0.00 0.00 54.97 53.29 1n3r s GLU 97 Cb 0.16 -2.20 -0.10 0.00 -1.78 0.00 0.00 34.13 30.21 1n3r s GLU 97 CO 0.21 0.42 1.25 0.00 -0.49 0.00 0.00 175.26 176.65 1n3r s MET 98 N -3.08 4.39 -0.14 1.61 0.23 -1.26 -4.42 119.30 116.63 1n3r s MET 98 Ca 0.27 2.10 -0.04 0.00 -1.03 0.00 0.00 55.69 57.00 1n3r s MET 98 Cb -0.08 -3.06 -0.03 0.00 -1.53 0.00 0.00 34.83 30.12 1n3r s MET 98 CO 0.17 -0.12 -0.01 0.08 -2.03 0.00 0.00 175.02 173.11 1n3r s VAL 99 N -1.17 4.17 0.06 5.16 1.01 -0.53 -4.95 120.40 124.16 1n3r s VAL 99 Ca 0.49 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1n3r s VAL 99 Cb -0.37 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1n3r s VAL 99 CO 0.49 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 175.03 1n3r s THR 100 N -0.05 1.63 -0.32 3.92 2.01 -1.26 -1.42 115.64 120.15 1n3r s THR 100 Ca 0.03 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 60.77 1n3r s THR 100 Cb -0.13 -1.44 0.10 0.00 0.01 0.00 0.00 72.50 71.04 1n3r s THR 100 CO 0.02 0.13 0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 1n3r s VAL 101 N -0.89 1.25 0.36 3.82 1.01 0.28 -4.99 120.40 121.23 1n3r s VAL 101 Ca 0.07 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.43 1n3r s VAL 101 Cb -0.09 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1n3r s VAL 101 CO 0.02 -0.65 0.55 0.00 0.00 0.00 0.00 175.10 175.03 1n3r s ARG 102 N 1.43 3.29 -1.40 2.72 1.70 -1.26 -1.88 118.95 123.54 1n3r s ARG 102 Ca 0.10 -0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 54.77 1n3r s ARG 102 Cb -0.18 -2.68 0.03 0.00 -0.57 0.00 0.00 34.95 31.55 1n3r s ARG 102 CO -0.20 0.04 0.72 -0.25 -1.08 0.00 0.00 175.30 174.52 1n3r n ASP 103 N -1.81 -1.98 -4.72 -2.89 8.00 -1.15 -4.96 116.55 107.04 1n3r n ASP 103 Ca -0.03 -0.86 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 1n3r n ASP 103 Cb 0.57 -3.76 -0.03 0.00 -0.02 0.00 0.00 41.12 37.88 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 -3.62 4.03 0.03 0.53 1.01 -0.09 -4.79 121.20 118.30 1n3r s ILE 104 Ca 0.20 1.56 -0.30 0.00 0.00 0.00 0.00 60.65 62.10 1n3r s ILE 104 Cb -0.10 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1n3r s ILE 104 CO 0.84 0.18 1.58 -0.89 0.00 0.00 0.00 174.94 176.64 1n3r s THR 105 N 0.57 3.33 -0.20 2.92 2.01 -1.26 -0.83 115.64 122.17 1n3r s THR 105 Ca 0.55 0.71 -0.01 0.00 0.31 0.00 0.00 61.69 63.24 1n3r s THR 105 Cb -0.29 -3.46 0.06 0.00 0.01 0.00 0.00 72.50 68.82 1n3r s THR 105 CO 0.31 -0.01 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.01 1n3r s LEU 106 N 2.78 1.65 -0.27 4.42 0.20 -0.72 -4.79 118.68 121.95 1n3r s LEU 106 Ca 0.71 -0.90 0.01 0.00 0.69 0.00 0.00 54.13 54.64 1n3r s LEU 106 Cb -0.36 -0.81 0.05 0.00 -0.43 0.00 0.00 46.19 44.64 1n3r s LEU 106 CO 0.30 -0.27 -0.08 0.42 -0.29 0.00 0.00 176.35 176.44 1n3r s THR 107 N 1.69 2.46 0.00 3.68 -4.23 -1.26 -0.54 115.64 117.44 1n3r s THR 107 Ca -0.02 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1n3r s THR 107 Cb -0.17 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1n3r s THR 107 CO -0.07 -0.03 0.00 -0.24 -0.54 0.00 0.00 174.62 173.74 1n3r n SER 108 N 4.51 1.70 -3.79 3.99 2.88 -0.25 -4.38 113.62 118.28 1n3r n SER 108 Ca -0.14 -0.67 -0.13 0.00 -1.33 0.00 0.00 58.87 56.59 1n3r n SER 108 Cb 0.43 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.75 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 -0.55 -0.03 -0.07 2.46 2.01 -1.25 -1.07 115.64 117.15 1n3r s THR 109 Ca 0.00 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 1n3r s THR 109 Cb 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.33 1n3r s THR 109 CO 0.00 0.05 0.93 0.00 -0.69 0.00 0.00 174.62 174.91 1n3r n GLU 111 N 4.42 0.12 0.04 0.00 0.28 -0.42 -0.43 120.64 124.65 1n3r n GLU 111 Ca 0.06 0.44 -0.16 0.00 -0.16 0.00 0.00 57.16 57.34 1n3r n GLU 111 Cb 0.50 -1.77 -0.06 0.00 1.43 0.00 0.00 31.44 31.54 1n3r n GLU 111 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1n3r h SER 112 N 0.00 0.73 0.00 -1.84 4.64 -1.91 -3.39 113.55 111.78 1n3r h SER 112 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1n3r h SER 112 Cb 0.23 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1n3r h SER 112 CO 0.00 1.34 0.00 1.41 -0.87 0.00 0.00 176.83 178.71 1n3r n HIS 113 N -3.83 0.00 -3.70 4.77 8.25 -1.13 -5.03 115.22 114.55 1n3r n HIS 113 Ca -0.08 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.12 1n3r n HIS 113 Cb 0.82 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.99 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 -0.19 -2.65 -4.39 4.41 3.01 0.42 -5.00 117.46 113.07 1n3r n PHE 114 Ca 0.00 0.98 -0.27 0.00 1.01 0.00 0.00 57.45 59.16 1n3r n PHE 114 Cb 0.06 -4.67 -0.11 0.00 -0.01 0.00 0.00 39.48 34.75 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 -3.32 2.49 0.26 -4.37 1.01 -1.25 -4.91 120.40 110.31 1n3r s VAL 115 Ca 0.58 -1.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.33 1n3r s VAL 115 Cb -0.27 -2.19 -0.13 0.00 0.00 0.00 0.00 36.38 33.79 1n3r s VAL 115 CO 0.77 -0.08 1.47 0.41 0.00 0.00 0.00 175.10 177.66 1n3r n THR 116 N 0.32 1.02 -4.05 3.92 -1.04 -1.26 -1.47 114.28 111.72 1n3r n THR 116 Ca -0.13 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.29 1n3r n THR 116 Cb 0.55 -1.66 -0.15 0.00 -1.82 0.00 0.00 70.33 67.25 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 -0.08 2.49 -0.23 12.58 1.01 -0.23 -1.76 121.20 134.98 1n3r s ILE 117 Ca 0.66 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 1n3r s ILE 117 Cb -0.59 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1n3r s ILE 117 CO 0.50 0.50 -0.05 -0.62 0.00 0.00 0.00 174.94 175.27 1n3r s ASP 118 N 1.35 4.27 0.12 3.58 2.15 -0.18 -1.09 116.67 126.87 1n3r s ASP 118 Ca 0.05 -0.51 -0.00 0.00 0.43 0.00 0.00 52.55 52.52 1n3r s ASP 118 Cb -0.13 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 1n3r s ASP 118 CO -0.10 -0.05 0.16 0.61 -0.17 0.00 0.00 175.17 175.63 1n3r n GLY 119 N 4.77 2.84 2.86 2.66 0.00 0.30 0.10 105.19 118.71 1n3r n GLY 119 Ca -0.18 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.28 0.54 0.08 1.61 3.01 0.65 -1.75 119.74 121.58 1n3r s LYS 120 Ca 0.10 -0.02 0.04 0.00 -1.01 0.00 0.00 55.97 55.08 1n3r s LYS 120 Cb -0.00 -0.63 -0.04 0.00 -1.01 0.00 0.00 37.83 36.15 1n3r s LYS 120 CO 0.07 -0.10 0.04 0.00 0.51 0.00 0.00 175.35 175.87 1n3r s ALA 121 N 0.91 3.42 -0.13 5.17 0.00 -0.01 -1.67 121.76 129.45 1n3r s ALA 121 Ca -0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1n3r s ALA 121 Cb -0.14 -1.31 0.04 0.00 0.00 0.00 0.00 23.12 21.71 1n3r s ALA 121 CO -0.01 0.72 -0.01 0.99 0.00 0.00 0.00 175.76 177.45 1n3r s THR 122 N -1.33 0.65 -0.12 0.00 2.01 -0.06 -0.91 115.64 115.88 1n3r s THR 122 Ca 0.27 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1n3r s THR 122 Cb -0.12 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 1n3r s THR 122 CO 0.19 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.38 1n3r s VAL 123 N 1.84 2.58 0.07 3.82 1.01 -0.79 -1.29 120.40 127.64 1n3r s VAL 123 Ca 0.03 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1n3r s VAL 123 Cb -0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1n3r s VAL 123 CO -0.07 0.54 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 1n3r s ALA 124 N 0.40 1.29 0.07 5.51 0.00 0.07 -0.56 121.76 128.53 1n3r s ALA 124 Ca -0.14 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 50.64 1n3r s ALA 124 Cb -0.17 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.84 1n3r s ALA 124 CO 0.06 0.22 0.45 1.52 0.00 0.00 0.00 175.76 178.01 1n3r s TYR 125 N -1.13 -0.30 -0.38 0.00 1.13 -0.51 0.02 117.35 116.18 1n3r s TYR 125 Ca 0.01 0.21 -0.11 0.00 -1.41 0.00 0.00 57.07 55.77 1n3r s TYR 125 Cb -0.09 0.28 0.04 0.00 -1.10 0.00 0.00 41.96 41.08 1n3r s TYR 125 CO 0.02 -0.63 0.21 0.42 -2.51 0.00 0.00 175.55 173.06 1n3r s ILE 126 N -2.85 4.48 -0.16 -3.49 1.01 -0.26 -1.45 121.20 118.49 1n3r s ILE 126 Ca -0.03 -0.97 -0.38 0.00 0.00 0.00 0.00 60.65 59.27 1n3r s ILE 126 Cb -0.00 -3.55 -0.15 0.00 0.01 0.00 0.00 42.46 38.77 1n3r s ILE 126 CO -0.05 -0.28 1.71 -2.65 0.00 0.00 0.00 174.94 173.66 1n3r n PRO 127 N 4.98 1.44 0.00 2.79 -0.02 -1.26 -4.88 135.00 138.06 1n3r n PRO 127 Ca -0.12 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1n3r n PRO 127 Cb 0.45 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 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 5.14 0.00 0.02 -0.52 4.81 -1.26 -4.60 118.16 121.75 1n3r n LYS 128 Ca 0.24 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.79 1n3r n LYS 128 Cb 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.20 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 0.00 0.56 -3.99 3.14 8.00 -1.26 -4.75 116.55 118.25 1n3r n ASP 129 Ca 0.00 -0.21 -0.14 0.00 0.71 0.00 0.00 54.79 55.15 1n3r n ASP 129 Cb 0.00 1.01 -0.13 0.00 -0.02 0.00 0.00 41.12 41.98 1n3r n ASP 129 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n3r s SER 130 N -4.05 0.61 -0.31 -2.24 1.04 -1.26 -1.49 113.70 106.01 1n3r s SER 130 Ca 0.02 -0.28 -0.04 0.00 0.48 0.00 0.00 55.95 56.12 1n3r s SER 130 Cb 0.14 -0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1n3r s SER 130 CO 0.83 -0.07 0.04 -0.69 0.98 0.00 0.00 173.24 174.34 1n3r s VAL 131 N -0.66 3.44 0.47 5.02 1.01 0.29 -4.79 120.40 125.18 1n3r s VAL 131 Ca -0.04 -1.12 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 1n3r s VAL 131 Cb -0.05 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 1n3r s VAL 131 CO -0.00 -0.06 1.12 -0.51 0.00 0.00 0.00 175.10 175.65 1n3r s ILE 132 N 1.36 3.29 0.21 2.22 2.07 -1.26 -1.41 121.20 127.68 1n3r s ILE 132 Ca -0.02 0.91 -0.31 0.00 -1.41 0.00 0.00 60.65 59.82 1n3r s ILE 132 Cb -0.19 -3.43 -0.11 0.00 0.13 0.00 0.00 42.46 38.86 1n3r s ILE 132 CO 0.01 -0.07 1.63 -0.83 -1.91 0.00 0.00 174.94 173.77 1n3r s GLY 133 N -1.56 1.52 0.14 1.50 0.00 -0.51 -4.90 107.32 103.51 1n3r s GLY 133 Ca 0.65 1.49 -0.29 0.00 0.00 0.00 0.00 44.72 46.58 1n3r s GLY 133 CO 0.30 2.71 1.57 1.41 0.00 0.00 0.00 173.10 179.09 1n3r h LEU 134 N 6.43 -1.48 -2.10 0.66 3.38 -1.92 -0.94 115.31 119.34 1n3r h LEU 134 Ca -0.44 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1n3r h LEU 134 Cb 1.21 0.62 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1n3r h LEU 134 CO 0.91 -0.40 0.27 0.77 0.09 0.00 0.00 178.44 180.08 1n3r h SER 135 N -0.39 0.00 0.21 -0.43 4.64 -2.01 0.32 113.55 115.88 1n3r h SER 135 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 1n3r h SER 135 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1n3r h SER 135 CO -0.53 0.00 -0.39 0.11 -0.87 0.00 0.00 176.83 175.15 1n3r h LYS 136 N 0.00 0.25 -0.16 4.77 1.79 -1.53 -0.23 116.57 121.46 1n3r h LYS 136 Ca 0.00 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1n3r h LYS 136 Cb 0.54 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1n3r h LYS 136 CO 0.00 0.61 0.06 0.82 -1.08 0.00 0.00 179.45 179.86 1n3r h ILE 137 N 0.22 1.17 -0.72 1.86 2.04 -0.43 -0.31 117.51 121.34 1n3r h ILE 137 Ca 0.02 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1n3r h ILE 137 Cb 0.80 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1n3r h ILE 137 CO 0.06 0.16 0.46 0.78 0.00 0.00 0.00 178.15 179.61 1n3r h ASN 138 N 0.10 0.75 -0.38 1.72 2.35 -1.49 -1.79 115.58 116.84 1n3r h ASN 138 Ca 0.05 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1n3r h ASN 138 Cb 0.20 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1n3r h ASN 138 CO -0.00 0.52 0.15 0.03 -1.65 0.00 0.00 177.43 176.48 1n3r h ARG 139 N 0.89 0.57 -0.48 0.81 3.08 -0.61 -2.03 114.38 116.61 1n3r h ARG 139 Ca 0.29 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.25 1n3r h ARG 139 Cb 0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1n3r h ARG 139 CO -0.11 0.54 0.30 0.82 -1.07 0.00 0.00 179.97 180.46 1n3r h ILE 140 N 0.47 1.08 -0.47 2.04 2.04 -0.65 0.22 117.51 122.25 1n3r h ILE 140 Ca 0.13 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1n3r h ILE 140 Cb 0.19 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 1n3r h ILE 140 CO -0.01 0.11 0.20 0.58 0.00 0.00 0.00 178.15 179.03 1n3r h VAL 141 N 0.61 0.90 0.00 1.67 2.07 -1.12 -1.60 116.25 118.78 1n3r h VAL 141 Ca 0.19 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1n3r h VAL 141 Cb -0.02 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1n3r h VAL 141 CO -0.07 0.07 0.00 1.56 0.02 0.00 0.00 177.57 179.16 1n3r h GLN 142 N 0.40 0.00 0.66 1.57 1.08 -0.64 -1.88 115.11 116.29 1n3r h GLN 142 Ca 0.21 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1n3r h GLN 142 Cb 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1n3r h GLN 142 CO -0.19 0.00 -0.32 0.35 -0.95 0.00 0.00 178.83 177.73 1n3r h PHE 143 N 0.00 -0.82 0.00 2.96 3.57 0.42 -2.30 116.94 120.78 1n3r h PHE 143 Ca 0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1n3r h PHE 143 Cb 0.63 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1n3r h PHE 143 CO 0.00 -0.51 -0.02 0.74 -2.23 0.00 0.00 178.31 176.30 1n3r h PHE 144 N -1.12 0.00 -0.06 0.41 0.04 -1.55 -2.17 116.94 112.49 1n3r h PHE 144 Ca -0.09 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.58 1n3r h PHE 144 Cb 0.68 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 1n3r h PHE 144 CO 0.02 0.02 -0.41 0.00 -0.60 0.00 0.00 178.31 177.33 1n3r h ALA 145 N 1.98 1.20 -0.57 2.45 0.00 -1.13 -3.31 119.26 119.88 1n3r h ALA 145 Ca -0.00 -0.40 -0.73 0.00 0.00 0.00 0.00 54.91 53.78 1n3r h ALA 145 Cb 0.33 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1n3r h ALA 145 CO 0.00 0.56 2.54 1.04 0.00 0.00 0.00 179.25 183.40 1n3r n GLN 146 N -4.03 3.77 -3.58 0.00 1.13 -0.81 -4.10 117.38 109.76 1n3r n GLN 146 Ca -0.02 -3.19 -0.11 0.00 -1.94 0.00 0.00 57.00 51.75 1n3r n GLN 146 Cb 0.46 -2.89 -0.03 0.00 0.11 0.00 0.00 30.24 27.90 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 0.64 1.34 0.24 -1.09 0.52 -1.18 -0.63 118.95 118.78 1n3r s ARG 147 Ca 0.48 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.74 1n3r s ARG 147 Cb 0.14 0.56 -0.09 0.00 0.52 0.00 0.00 34.95 36.08 1n3r s ARG 147 CO -0.05 -0.58 1.26 -2.14 0.02 0.00 0.00 175.30 173.81 1n3r s PRO 148 N -3.81 4.44 0.25 3.54 0.02 -1.26 -3.83 135.00 134.35 1n3r s PRO 148 Ca 0.04 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.10 1n3r s PRO 148 Cb -0.01 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1n3r s PRO 148 CO -0.08 -0.14 0.12 -0.65 -0.33 0.00 0.00 177.00 175.92 1n3r s GLN 149 N -0.71 1.39 -0.22 5.54 -1.52 0.23 -4.66 119.66 119.71 1n3r s GLN 149 Ca 0.52 -1.75 -0.01 0.00 -1.95 0.00 0.00 55.36 52.17 1n3r s GLN 149 Cb -0.36 -0.10 0.06 0.00 -0.22 0.00 0.00 33.01 32.40 1n3r s GLN 149 CO 0.42 -0.35 0.01 0.08 -0.25 0.00 0.00 175.29 175.20 1n3r s VAL 150 N -3.83 0.93 0.20 1.09 1.01 -1.26 -1.30 120.40 117.22 1n3r s VAL 150 Ca 0.38 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1n3r s VAL 150 Cb 0.07 -1.38 0.16 0.00 0.00 0.00 0.00 36.38 35.22 1n3r s VAL 150 CO 0.14 -0.23 1.41 1.67 0.00 0.00 0.00 175.10 178.09 1n3r n GLN 151 N 4.89 -0.26 -0.31 2.72 7.27 -1.26 0.78 117.38 131.21 1n3r n GLN 151 Ca -0.09 1.39 0.15 0.00 0.07 0.00 0.00 57.00 58.52 1n3r n GLN 151 Cb 0.45 -2.06 0.33 0.00 2.41 0.00 0.00 30.24 31.37 1n3r n GLN 151 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1n3r h GLU 152 N 0.00 0.35 -0.06 3.69 3.07 -1.99 0.25 114.58 119.88 1n3r h GLU 152 Ca 0.28 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.02 1n3r h GLU 152 Cb 0.50 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1n3r h GLU 152 CO -0.89 0.23 -0.35 -0.09 -1.40 0.00 0.00 179.01 176.51 1n3r h ARG 153 N 0.36 0.34 -0.65 2.33 2.43 -0.07 -3.03 114.38 116.10 1n3r h ARG 153 Ca 0.59 -0.29 0.13 0.00 -0.81 0.00 0.00 59.98 59.60 1n3r h ARG 153 Cb 1.16 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.65 1n3r h ARG 153 CO -0.56 0.94 -0.17 1.25 -1.51 0.00 0.00 179.97 179.91 1n3r h LEU 154 N -0.16 -0.64 0.18 3.80 5.85 0.22 -0.32 115.31 124.23 1n3r h LEU 154 Ca -0.03 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1n3r h LEU 154 Cb 1.01 0.41 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 1n3r h LEU 154 CO 0.07 -0.22 -0.10 0.74 -0.34 0.00 0.00 178.44 178.59 1n3r h THR 155 N -0.01 0.79 -0.84 1.05 2.02 -1.08 -2.73 112.91 112.11 1n3r h THR 155 Ca 0.31 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.59 1n3r h THR 155 Cb 0.48 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 1n3r h THR 155 CO -0.67 0.00 0.48 1.56 0.37 0.00 0.00 175.52 177.26 1n3r h GLN 156 N -0.26 0.76 -0.55 6.66 1.08 -1.10 -1.85 115.11 119.85 1n3r h GLN 156 Ca -0.02 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1n3r h GLN 156 Cb 0.21 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1n3r h GLN 156 CO 0.02 0.50 0.32 1.96 -0.95 0.00 0.00 178.83 180.69 1n3r h GLN 157 N 0.78 0.76 0.07 1.46 4.20 -0.91 -1.89 115.11 119.59 1n3r h GLN 157 Ca 0.41 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1n3r h GLN 157 Cb 0.40 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1n3r h GLN 157 CO -0.26 0.56 -0.05 0.82 -0.67 0.00 0.00 178.83 179.23 1n3r h ILE 158 N 0.74 0.88 0.12 2.54 1.08 -1.08 0.99 117.51 122.80 1n3r h ILE 158 Ca 0.20 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.68 1n3r h ILE 158 Cb 0.01 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 1n3r h ILE 158 CO -0.04 0.00 -0.47 0.25 -0.69 0.00 0.00 178.15 177.21 1n3r h LEU 159 N -0.13 -1.39 -0.23 1.44 5.85 -1.12 -0.34 115.31 119.38 1n3r h LEU 159 Ca -0.00 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1n3r h LEU 159 Cb 0.11 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 1n3r h LEU 159 CO 0.00 -0.50 -0.18 0.40 -0.34 0.00 0.00 178.44 177.82 1n3r h ILE 160 N -0.68 0.50 -0.96 4.05 1.08 -1.25 -0.67 117.51 119.59 1n3r h ILE 160 Ca -0.01 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.61 1n3r h ILE 160 Cb 0.67 0.50 -0.09 0.00 -3.07 0.00 0.00 36.82 34.83 1n3r h ILE 160 CO -0.24 0.00 0.57 0.00 -0.69 0.00 0.00 178.15 177.79 1n3r h ALA 161 N 0.94 1.49 -0.04 1.87 0.00 -0.45 -1.08 119.26 122.00 1n3r h ALA 161 Ca 0.13 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1n3r h ALA 161 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n3r h ALA 161 CO -0.34 0.05 -0.09 -0.07 0.00 0.00 0.00 179.25 178.79 1n3r h LEU 162 N 0.81 0.14 -0.50 0.00 3.38 -0.13 -2.12 115.31 116.89 1n3r h LEU 162 Ca 0.51 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1n3r h LEU 162 Cb 0.67 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 1n3r h LEU 162 CO -0.33 0.71 -0.23 1.56 0.09 0.00 0.00 178.44 180.25 1n3r h GLN 163 N -0.42 -0.11 -0.20 1.13 4.20 -0.76 0.11 115.11 119.06 1n3r h GLN 163 Ca -0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1n3r h GLN 163 Cb 0.70 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 1n3r h GLN 163 CO 0.02 -0.07 -0.11 1.15 -0.67 0.00 0.00 178.83 179.15 1n3r h THR 164 N -0.11 0.66 -0.25 -0.54 2.02 -1.18 0.46 112.91 113.96 1n3r h THR 164 Ca 0.23 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 1n3r h THR 164 Cb 0.47 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1n3r h THR 164 CO -0.57 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.07 1n3r h LEU 165 N -0.09 0.43 0.00 2.58 3.38 -0.48 -3.25 115.31 117.88 1n3r h LEU 165 Ca 0.11 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1n3r h LEU 165 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1n3r h LEU 165 CO -0.26 0.63 -1.12 -0.07 0.09 0.00 0.00 178.44 177.70 1n3r h LEU 166 N 0.40 0.00 0.00 1.67 3.38 -0.53 -3.49 115.31 116.75 1n3r h LEU 166 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n3r h LEU 166 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1n3r h LEU 166 CO 0.04 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1n3r n GLY 167 N 1.28 0.76 3.21 0.83 0.00 0.12 -4.55 105.19 106.84 1n3r n GLY 167 Ca -0.04 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 0.10 -0.96 2.61 2.01 -1.11 -4.94 115.64 111.35 1n3r s THR 168 Ca 0.00 -0.86 0.23 0.00 0.31 0.00 0.00 61.69 61.37 1n3r s THR 168 Cb 0.00 -0.98 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 1n3r s THR 168 CO 0.00 -0.47 1.19 0.59 -0.69 0.00 0.00 174.62 175.23 1n3r n ASN 169 N 0.54 0.69 -3.78 3.53 3.02 -1.26 -4.26 115.26 113.74 1n3r n ASN 169 Ca -0.18 -0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 53.43 1n3r n ASN 169 Cb 0.60 0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 40.32 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 -1.55 3.50 -4.16 6.41 3.02 -1.26 0.14 115.26 121.36 1n3r n ASN 170 Ca 0.05 -2.79 -0.11 0.00 -0.03 0.00 0.00 54.58 51.69 1n3r n ASN 170 Cb 0.34 -1.50 -0.10 0.00 -0.61 0.00 0.00 39.78 37.91 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 4.07 0.71 -0.15 2.41 1.01 -1.26 -1.10 120.40 126.09 1n3r s VAL 171 Ca 0.51 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 1n3r s VAL 171 Cb 0.13 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 35.07 1n3r s VAL 171 CO -0.01 -0.77 0.35 0.00 0.00 0.00 0.00 175.10 174.68 1n3r s ALA 172 N -3.17 -0.88 -0.03 5.51 0.00 0.10 0.31 121.76 123.60 1n3r s ALA 172 Ca 0.08 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.43 1n3r s ALA 172 Cb 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1n3r s ALA 172 CO -0.03 -0.33 -0.21 0.08 0.00 0.00 0.00 175.76 175.26 1n3r s VAL 173 N 1.57 1.72 -0.02 0.00 1.01 0.45 -0.75 120.40 124.38 1n3r s VAL 173 Ca -0.08 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1n3r s VAL 173 Cb -0.10 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.87 1n3r s VAL 173 CO -0.11 0.49 0.03 -0.55 0.00 0.00 0.00 175.10 174.95 1n3r s SER 174 N -0.35 0.06 -0.06 3.32 0.15 -0.41 0.92 113.70 117.33 1n3r s SER 174 Ca 0.04 0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.80 1n3r s SER 174 Cb -0.10 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1n3r s SER 174 CO 0.00 -0.12 -0.24 -0.63 1.20 0.00 0.00 173.24 173.45 1n3r s ILE 175 N 1.03 2.00 -0.17 6.45 1.01 0.16 -0.88 121.20 130.80 1n3r s ILE 175 Ca -0.09 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1n3r s ILE 175 Cb -0.12 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1n3r s ILE 175 CO -0.03 0.56 -0.19 -0.62 0.00 0.00 0.00 174.94 174.66 1n3r s ASP 176 N -0.16 3.01 0.08 3.58 2.15 -0.67 -0.62 116.67 124.04 1n3r s ASP 176 Ca -0.03 -0.60 -0.12 0.00 0.43 0.00 0.00 52.55 52.22 1n3r s ASP 176 Cb -0.13 -1.40 0.01 0.00 -0.30 0.00 0.00 42.92 41.10 1n3r s ASP 176 CO 0.03 -0.01 0.28 0.00 -0.17 0.00 0.00 175.17 175.31 1n3r s ALA 177 N 1.28 -0.54 -0.18 3.66 0.00 0.73 -0.26 121.76 126.45 1n3r s ALA 177 Ca 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 1n3r s ALA 177 Cb -0.13 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1n3r s ALA 177 CO -0.11 -0.51 -0.02 0.08 0.00 0.00 0.00 175.76 175.20 1n3r s VAL 178 N -3.40 3.86 -0.24 0.00 1.01 0.11 0.10 120.40 121.84 1n3r s VAL 178 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1n3r s VAL 178 Cb 0.02 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1n3r s VAL 178 CO -0.09 0.46 0.15 -1.00 0.00 0.00 0.00 175.10 174.62 1n3r s HIS 179 N 0.77 3.30 -1.75 5.22 3.76 -1.26 -1.01 115.29 124.31 1n3r s HIS 179 Ca -0.01 0.19 0.26 0.00 -0.15 0.00 0.00 55.06 55.35 1n3r s HIS 179 Cb -0.14 -2.26 1.46 0.00 1.11 0.00 0.00 32.58 32.75 1n3r s HIS 179 CO 0.02 0.04 1.91 0.66 -0.85 0.00 0.00 174.74 176.52 1n3r n TYR 180 N 4.30 0.00 1.04 1.40 4.02 -0.72 -1.92 117.16 125.28 1n3r n TYR 180 Ca -0.15 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.87 1n3r n TYR 180 Cb 0.52 -0.12 0.41 0.00 -0.02 0.00 0.00 39.34 40.13 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 -1.44 0.23 -0.10 0.00 0.31 -0.81 -4.51 118.33 112.02 1n3r n VAL 182 Ca 0.07 -0.31 -0.16 0.00 -0.01 0.00 0.00 64.34 63.93 1n3r n VAL 182 Cb 0.33 -0.07 -0.08 0.00 -0.91 0.00 0.00 33.84 33.11 1n3r n VAL 182 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n3r n LYS 183 N -2.05 0.45 0.00 5.55 4.81 -0.86 -1.37 118.16 124.69 1n3r n LYS 183 Ca -0.07 0.13 0.14 0.00 -0.87 0.00 0.00 58.31 57.64 1n3r n LYS 183 Cb 0.47 -1.32 0.52 0.00 0.02 0.00 0.00 35.03 34.72 1n3r n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n3r n ALA 184 N -3.34 2.79 -3.75 3.14 0.00 0.54 -4.33 120.51 115.56 1n3r n ALA 184 Ca -0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 52.69 1n3r n ALA 184 Cb 0.83 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 1n3r n ALA 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1n3r s ARG 185 N -2.26 1.04 4.64 0.00 3.03 -1.23 -5.02 118.95 119.15 1n3r s ARG 185 Ca 0.32 -0.60 0.00 0.00 2.03 0.00 0.00 55.73 57.49 1n3r s ARG 185 Cb 0.20 0.34 0.00 0.00 -1.03 0.00 0.00 34.95 34.46 1n3r s ARG 185 CO 0.43 -0.48 0.00 0.41 -1.13 0.00 0.00 175.30 174.53 1n3r n GLY 186 N -0.52 1.22 0.40 3.88 0.00 -1.26 -3.05 105.19 105.85 1n3r n GLY 186 Ca -0.06 -0.75 0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 0.29 -5.98 -0.61 6.09 -1.86 -3.46 117.51 111.97 1n3r h ILE 187 Ca 0.00 0.00 -0.41 0.00 -1.37 0.00 0.00 64.86 63.08 1n3r h ILE 187 Cb 0.00 0.56 0.08 0.00 0.47 0.00 0.00 36.82 37.93 1n3r h ILE 187 CO 0.00 0.00 -0.76 0.54 -3.07 0.00 0.00 178.15 174.86 1n3r n ARG 188 N -3.56 -6.29 -2.51 2.19 1.74 -1.14 -4.96 116.66 102.12 1n3r n ARG 188 Ca 0.09 0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 1n3r n ARG 188 Cb 0.72 -5.60 -0.03 0.00 -1.02 0.00 0.00 32.46 26.53 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 -3.81 7.11 0.03 0.55 -1.08 -0.47 -4.89 116.67 114.12 1n3r s ASP 189 Ca 0.33 1.80 0.23 0.00 -0.52 0.00 0.00 52.55 54.39 1n3r s ASP 189 Cb -0.16 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.73 1n3r s ASP 189 CO 0.78 -0.51 0.97 0.00 0.52 0.00 0.00 175.17 176.93 1n3r n ALA 190 N 4.82 3.57 -0.03 3.66 0.00 -1.26 -3.88 120.51 127.39 1n3r n ALA 190 Ca 0.10 -0.44 0.03 0.00 0.00 0.00 0.00 53.44 53.13 1n3r n ALA 190 Cb 0.47 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.90 0.29 -1.02 0.00 -2.24 -1.26 -5.05 114.28 103.11 1n3r n THR 191 Ca 0.02 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 1n3r n THR 191 Cb 0.43 -0.08 0.15 0.00 -2.10 0.00 0.00 70.33 68.73 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 -4.03 3.13 -0.07 3.42 1.04 -1.26 -5.07 113.70 110.85 1n3r s SER 192 Ca -0.06 1.67 -0.22 0.00 0.48 0.00 0.00 55.95 57.82 1n3r s SER 192 Cb 0.08 -2.31 0.05 0.00 0.10 0.00 0.00 66.02 63.93 1n3r s SER 192 CO 0.61 -2.88 0.51 0.00 0.98 0.00 0.00 173.24 172.46 1n3r s ALA 193 N -2.80 -1.31 -0.10 5.32 0.00 -1.26 -4.82 121.76 116.78 1n3r s ALA 193 Ca 0.64 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 1n3r s ALA 193 Cb -0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1n3r s ALA 193 CO 0.58 -0.30 -0.04 0.99 0.00 0.00 0.00 175.76 176.99 1n3r s THR 194 N -0.92 3.92 -0.14 0.00 2.01 0.11 -4.92 115.64 115.70 1n3r s THR 194 Ca -0.10 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1n3r s THR 194 Cb -0.03 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.85 1n3r s THR 194 CO 0.06 0.56 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.50 1n3r s THR 195 N -0.41 1.71 0.10 -0.82 2.01 -1.26 -0.19 115.64 116.77 1n3r s THR 195 Ca 0.07 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.42 1n3r s THR 195 Cb -0.12 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1n3r s THR 195 CO 0.02 0.48 -0.24 0.42 -0.69 0.00 0.00 174.62 174.61 1n3r s THR 196 N 1.24 1.99 0.00 -0.82 -4.23 0.21 -4.96 115.64 109.07 1n3r s THR 196 Ca 0.01 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1n3r s THR 196 Cb -0.14 -1.77 -0.00 0.00 1.34 0.00 0.00 72.50 71.93 1n3r s THR 196 CO -0.08 0.09 -0.01 0.42 -0.54 0.00 0.00 174.62 174.51 1n3r s THR 197 N -1.03 0.05 -0.18 3.99 -4.23 -1.26 0.38 115.64 113.36 1n3r s THR 197 Ca 0.10 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1n3r s THR 197 Cb -0.10 -0.08 0.04 0.00 1.34 0.00 0.00 72.50 73.69 1n3r s THR 197 CO 0.04 -0.08 -0.11 -0.44 -0.54 0.00 0.00 174.62 173.49 1n3r s SER 198 N -0.28 3.16 -0.26 3.99 0.01 0.26 -4.98 113.70 115.60 1n3r s SER 198 Ca -0.03 -0.76 -0.05 0.00 1.31 0.00 0.00 55.95 56.42 1n3r s SER 198 Cb -0.02 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 65.01 1n3r s SER 198 CO -0.00 -0.12 0.02 -0.76 0.41 0.00 0.00 173.24 172.79 1n3r s LEU 199 N 1.43 3.44 0.00 2.44 1.43 -1.26 -0.41 118.68 125.75 1n3r s LEU 199 Ca 0.01 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1n3r s LEU 199 Cb -0.15 -1.81 0.14 0.00 0.03 0.00 0.00 46.19 44.40 1n3r s LEU 199 CO -0.09 -0.12 0.94 0.61 0.23 0.00 0.00 176.35 177.92 1n3r n GLY 200 N 4.82 0.62 0.00 -3.19 0.00 0.15 -4.37 105.19 103.22 1n3r n GLY 200 Ca -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1n3r n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n3r n GLY 201 N -2.16 0.00 0.44 -0.02 0.00 0.38 -1.26 105.19 102.58 1n3r n GLY 201 Ca 0.15 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.16 0.99 3.38 -1.93 0.50 115.31 116.09 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 -0.26 0.09 0.00 0.00 178.44 178.27 1n3r h PHE 203 N 0.00 0.00 0.00 1.13 0.04 -1.46 0.47 116.94 117.11 1n3r h PHE 203 Ca 0.36 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.82 1n3r h PHE 203 Cb 1.49 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.60 1n3r h PHE 203 CO 0.00 0.00 -2.02 1.17 -0.60 0.00 0.00 178.31 176.86 1n3r n LYS 204 N -2.99 0.49 -0.04 1.51 4.81 0.16 -4.14 118.16 117.96 1n3r n LYS 204 Ca -0.01 0.21 -0.14 0.00 -0.87 0.00 0.00 58.31 57.50 1n3r n LYS 204 Cb 0.17 -1.34 -0.08 0.00 0.02 0.00 0.00 35.03 33.80 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 -0.86 0.47 -3.31 3.14 4.64 -1.12 -3.44 113.55 113.07 1n3r h SER 205 Ca -0.48 -0.59 -0.60 0.00 -0.47 0.00 0.00 61.79 59.66 1n3r h SER 205 Cb 1.39 -0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 63.25 1n3r h SER 205 CO -0.29 0.97 0.42 -0.55 -0.87 0.00 0.00 176.83 176.52 1n3r s SER 206 N -6.39 6.80 0.16 4.97 0.15 0.15 -4.96 113.70 114.58 1n3r s SER 206 Ca -0.14 0.99 -0.16 0.00 0.70 0.00 0.00 55.95 57.34 1n3r s SER 206 Cb 0.05 -2.42 0.09 0.00 -1.71 0.00 0.00 66.02 62.03 1n3r s SER 206 CO 0.78 -0.49 1.71 -0.61 1.20 0.00 0.00 173.24 175.83 1n3r h GLN 207 N 7.70 0.14 0.25 5.44 5.75 -1.85 -0.42 115.11 132.11 1n3r h GLN 207 Ca -0.24 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1n3r h GLN 207 Cb 1.10 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 1n3r h GLN 207 CO 0.86 0.09 -0.32 -0.97 -2.65 0.00 0.00 178.83 175.84 1n3r h ASN 208 N 0.14 -0.91 -0.64 -0.69 -1.24 -1.92 -1.62 115.58 108.70 1n3r h ASN 208 Ca 0.18 0.08 0.12 0.00 0.71 0.00 0.00 56.30 57.39 1n3r h ASN 208 Cb 0.24 0.31 -0.09 0.00 0.73 0.00 0.00 38.32 39.51 1n3r h ASN 208 CO -0.28 -0.40 0.16 0.74 -1.29 0.00 0.00 177.43 176.36 1n3r h THR 209 N -0.59 0.64 -0.34 -3.57 2.02 -1.80 -1.56 112.91 107.71 1n3r h THR 209 Ca -0.03 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.12 1n3r h THR 209 Cb 0.53 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 67.17 1n3r h THR 209 CO -0.08 0.05 -0.26 -0.09 0.37 0.00 0.00 175.52 175.52 1n3r h ARG 210 N 0.29 -0.21 0.00 6.66 2.43 -0.80 -2.25 114.38 120.51 1n3r h ARG 210 Ca 0.34 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.45 1n3r h ARG 210 Cb 0.51 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1n3r h ARG 210 CO -0.41 -0.14 -0.36 0.45 -1.51 0.00 0.00 179.97 178.01 1n3r h HIS 211 N -0.22 0.00 -0.37 2.20 3.86 -0.83 -1.79 115.15 118.00 1n3r h HIS 211 Ca 0.17 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1n3r h HIS 211 Cb 0.48 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1n3r h HIS 211 CO -0.45 0.36 0.10 0.93 0.86 0.00 0.00 177.93 179.72 1n3r h GLU 212 N 0.00 0.54 0.11 2.45 5.08 -0.74 -0.29 114.58 121.72 1n3r h GLU 212 Ca -0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1n3r h GLU 212 Cb 1.11 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1n3r h GLU 212 CO 0.05 0.49 -0.05 0.35 -1.00 0.00 0.00 179.01 178.84 1n3r h PHE 213 N 0.53 -0.14 0.00 4.33 3.57 -1.22 -3.17 116.94 120.84 1n3r h PHE 213 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1n3r h PHE 213 Cb 0.19 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1n3r h PHE 213 CO 0.01 -0.09 0.30 -0.07 -2.23 0.00 0.00 178.31 176.24 1n3r h LEU 214 N -0.48 0.00 0.12 0.59 3.38 -1.29 -0.24 115.31 117.39 1n3r h LEU 214 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 1n3r h LEU 214 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1n3r h LEU 214 CO 0.02 0.00 -1.08 -0.09 0.09 0.00 0.00 178.44 177.38 1n3r h ARG 215 N 0.00 0.26 -0.99 1.13 2.43 -1.14 -3.29 114.38 112.78 1n3r h ARG 215 Ca 0.00 -0.44 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 1n3r h ARG 215 Cb 0.61 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1n3r h ARG 215 CO 0.00 1.21 0.09 0.00 -1.51 0.00 0.00 179.97 179.76 1n3r n ALA 216 N -2.83 2.98 -2.62 2.80 0.00 -0.11 -4.82 120.51 115.91 1n3r n ALA 216 Ca -0.19 -0.46 -0.34 0.00 0.00 0.00 0.00 53.44 52.45 1n3r n ALA 216 Cb 0.85 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.72 3.86 0.00 0.00 1.01 -1.15 -4.84 120.40 118.56 1n3r s VAL 217 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1n3r s VAL 217 Cb 0.08 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1n3r s VAL 217 CO 0.02 0.53 0.00 -1.14 0.00 0.00 0.00 175.10 174.52 1n3r n ARG 218 N 1.98 0.00 -4.34 2.72 0.00 -1.26 -5.05 116.66 110.71 1n3r n ARG 218 Ca -0.17 0.45 -0.18 0.00 -0.00 0.00 0.00 57.85 57.95 1n3r n ARG 218 Cb 0.53 -0.98 -0.10 0.00 0.00 0.00 0.00 32.46 31.91 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 -0.15 1.66 -0.07 -0.14 3.76 -1.26 -5.15 115.29 113.93 1n3r s HIS 219 Ca 0.00 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.29 1n3r s HIS 219 Cb 0.00 -0.79 0.03 0.00 1.11 0.00 0.00 32.58 32.92 1n3r s HIS 219 CO 0.00 0.31 -0.01 -1.58 -0.85 0.00 0.00 174.74 172.61 1n3r s HIS 220 N -3.04 0.71 0.00 1.40 2.46 -1.26 -4.91 115.29 110.65 1n3r s HIS 220 Ca 0.22 -0.20 0.00 0.00 0.47 0.00 0.00 55.06 55.56 1n3r s HIS 220 Cb 0.00 -0.79 0.00 0.00 -0.13 0.00 0.00 32.58 31.66 1n3r s HIS 220 CO 0.06 -0.31 0.00 0.09 -2.47 0.00 0.00 174.74 172.11