#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 -0.11 0.00 -4.01 2.46 4.77 -1.26 -5.03 117.00 113.82 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 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1n3r n LEU 3 CO 0.00 0.00 -0.43 -0.94 -1.33 0.00 0.00 177.39 174.69 1n3r s SER 4 N 1.00 0.97 0.26 -1.43 1.04 -1.26 -5.05 113.70 109.23 1n3r s SER 4 Ca 0.00 -0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.21 1n3r s SER 4 Cb 0.00 -0.10 0.52 0.00 0.10 0.00 0.00 66.02 66.54 1n3r s SER 4 CO 0.00 0.09 1.62 0.11 0.98 0.00 0.00 173.24 176.04 1n3r h LYS 5 N 5.87 0.08 0.18 4.02 1.57 -2.02 -1.35 116.57 124.93 1n3r h LYS 5 Ca -0.30 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1n3r h LYS 5 Cb 1.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1n3r h LYS 5 CO 0.49 0.05 -0.09 0.93 -0.57 0.00 0.00 179.45 180.27 1n3r h GLU 6 N 0.08 -0.24 -0.52 3.15 3.07 -1.98 -2.28 114.58 115.87 1n3r h GLU 6 Ca 0.46 0.02 0.15 0.00 -0.50 0.00 0.00 59.36 59.49 1n3r h GLU 6 Cb 0.85 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 1n3r h GLU 6 CO -0.74 0.11 0.47 0.00 -1.40 0.00 0.00 179.01 177.45 1n3r h ALA 7 N 0.08 2.32 0.17 3.43 0.00 -1.78 0.30 119.26 123.78 1n3r h ALA 7 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1n3r h ALA 7 Cb 0.46 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1n3r h ALA 7 CO 0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 179.25 178.47 1n3r h ALA 8 N 1.54 -0.48 -0.66 0.00 0.00 -1.05 -1.74 119.26 116.86 1n3r h ALA 8 Ca 0.25 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.25 1n3r h ALA 8 Cb 1.19 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1n3r h ALA 8 CO -0.00 -0.47 -0.06 -0.07 0.00 0.00 0.00 179.25 178.65 1n3r h LEU 9 N -0.45 -0.42 0.42 0.00 3.38 -0.82 0.30 115.31 117.72 1n3r h LEU 9 Ca -0.02 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1n3r h LEU 9 Cb 0.17 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1n3r h LEU 9 CO 0.04 -0.17 -0.48 0.58 0.09 0.00 0.00 178.44 178.49 1n3r h VAL 10 N 0.06 0.05 -0.65 1.22 2.07 -1.05 0.34 116.25 118.29 1n3r h VAL 10 Ca 0.34 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.93 1n3r h VAL 10 Cb 0.55 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 1n3r h VAL 10 CO -0.62 0.00 0.34 -0.74 0.02 0.00 0.00 177.57 176.58 1n3r h HIS 11 N -0.93 0.62 0.13 1.57 -0.00 -0.51 0.15 115.15 116.18 1n3r h HIS 11 Ca -0.05 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1n3r h HIS 11 Cb 0.83 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 1n3r h HIS 11 CO -0.28 0.28 -0.18 0.93 -0.00 0.00 0.00 177.93 178.68 1n3r h GLU 12 N 0.62 -0.36 -0.03 5.26 5.08 0.04 -1.49 114.58 123.70 1n3r h GLU 12 Ca 0.30 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1n3r h GLU 12 Cb 0.23 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1n3r h GLU 12 CO -0.21 -0.24 0.03 0.00 -1.00 0.00 0.00 179.01 177.60 1n3r h ALA 13 N 0.44 1.70 0.03 3.43 0.00 0.30 -0.72 119.26 124.44 1n3r h ALA 13 Ca 0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1n3r h ALA 13 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.19 1n3r h ALA 13 CO -0.09 -0.05 -0.95 -0.07 0.00 0.00 0.00 179.25 178.10 1n3r h LEU 14 N 0.00 0.79 -0.48 0.00 3.38 -0.23 -3.01 115.31 115.76 1n3r h LEU 14 Ca 0.02 -0.77 -0.10 0.00 0.09 0.00 0.00 57.88 57.12 1n3r h LEU 14 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1n3r h LEU 14 CO -0.00 1.46 -0.10 0.58 0.09 0.00 0.00 178.44 180.47 1n3r h VAL 15 N 0.20 1.27 -0.53 1.22 2.07 -0.52 0.04 116.25 119.99 1n3r h VAL 15 Ca -0.13 -1.22 0.09 0.00 0.82 0.00 0.00 66.70 66.26 1n3r h VAL 15 Cb 1.63 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.40 1n3r h VAL 15 CO 0.19 0.42 0.15 0.00 0.02 0.00 0.00 177.57 178.35 1n3r h ALA 16 N 0.89 0.64 -0.00 1.67 0.00 -1.22 0.28 119.26 121.52 1n3r h ALA 16 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n3r h ALA 16 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1n3r h ALA 16 CO 0.04 -0.26 -0.06 -2.13 0.00 0.00 0.00 179.25 176.84 1n3r n ARG 17 N -5.06 0.85 -2.37 0.00 3.00 -1.14 -4.91 116.66 107.04 1n3r n ARG 17 Ca 0.07 -0.25 -0.13 0.00 -0.00 0.00 0.00 57.85 57.53 1n3r n ARG 17 Cb 0.25 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.22 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 -0.11 0.00 5.14 0.00 0.09 -4.92 105.19 106.60 1n3r n GLY 18 Ca 0.17 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.97 0.65 -4.48 0.99 4.77 -0.07 -5.02 117.00 111.87 1n3r n LEU 19 Ca -0.12 -0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 55.14 1n3r n LEU 19 Cb 0.60 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.87 1n3r n LEU 19 CO 0.20 0.16 0.22 1.21 -1.33 0.00 0.00 177.39 177.86 1n3r n GLU 20 N -1.52 -1.21 -2.45 3.23 0.00 -1.09 -4.85 120.64 112.74 1n3r n GLU 20 Ca 0.02 -0.31 -0.41 0.00 0.00 0.00 0.00 57.16 56.46 1n3r n GLU 20 Cb 0.29 -2.07 -0.04 0.00 0.00 0.00 0.00 31.44 29.63 1n3r n GLU 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1n3r s THR 21 N -2.44 3.79 -0.84 6.31 2.01 -1.26 -4.89 115.64 118.32 1n3r s THR 21 Ca 0.63 1.49 -0.23 0.00 0.31 0.00 0.00 61.69 63.88 1n3r s THR 21 Cb -0.21 -3.95 -0.18 0.00 0.01 0.00 0.00 72.50 68.17 1n3r s THR 21 CO 0.64 0.23 2.30 -2.65 -0.69 0.00 0.00 174.62 174.45 1n3r n PRO 22 N 2.65 0.40 -4.17 4.92 -0.02 -1.26 -4.89 135.00 132.62 1n3r n PRO 22 Ca 0.04 -0.84 -0.24 0.00 -2.02 0.00 0.00 63.50 60.43 1n3r n PRO 22 Cb 0.46 -3.31 -0.06 0.00 -0.02 0.00 0.00 33.50 30.57 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 12.91 3.55 0.41 2.45 1.02 -1.26 -5.14 118.68 132.62 1n3r s LEU 23 Ca 0.94 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 54.78 1n3r s LEU 23 Cb -0.21 -2.13 -0.00 0.00 0.02 0.00 0.00 46.19 43.86 1n3r s LEU 23 CO 0.16 0.03 0.59 -0.60 0.02 0.00 0.00 176.35 176.55 1n3r s ARG 24 N -3.38 3.06 1.09 1.70 3.52 -1.26 -5.07 118.95 118.61 1n3r s ARG 24 Ca 0.31 -0.73 -0.21 0.00 -0.13 0.00 0.00 55.73 54.97 1n3r s ARG 24 Cb -0.08 -2.67 0.02 0.00 -1.56 0.00 0.00 34.95 30.66 1n3r s ARG 24 CO 0.22 -0.15 -0.45 -2.30 -0.81 0.00 0.00 175.30 171.81 1n3r n PRO 25 N -1.91 -1.19 0.21 5.12 -0.02 -1.26 -4.86 135.00 131.10 1n3r n PRO 25 Ca 0.01 -0.33 0.05 0.00 -2.02 0.00 0.00 63.50 61.21 1n3r n PRO 25 Cb 0.58 -1.50 0.47 0.00 -0.02 0.00 0.00 33.50 33.02 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 -1.78 0.00 0.00 0.52 0.11 -2.08 -3.47 132.00 125.30 1n3r h PRO 26 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n3r h PRO 26 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1n3r h PRO 26 CO 0.34 0.27 0.00 0.28 -0.21 0.00 0.00 178.00 178.68 1n3r n VAL 27 N -4.05 0.00 -3.65 3.15 0.31 -1.26 -4.60 118.33 108.23 1n3r n VAL 27 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.30 1n3r n VAL 27 Cb 0.33 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.20 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 -0.14 -0.04 3.52 -3.43 -1.26 -5.11 115.29 108.82 1n3r s HIS 28 Ca 0.00 0.32 -0.33 0.00 -0.80 0.00 0.00 55.06 54.24 1n3r s HIS 28 Cb 0.00 0.29 -0.11 0.00 -1.43 0.00 0.00 32.58 31.33 1n3r s HIS 28 CO 0.00 -0.07 1.88 0.39 -2.00 0.00 0.00 174.74 174.94 1n3r n GLU 29 N 2.42 2.33 -4.02 -0.38 1.02 -1.26 -4.93 120.64 115.81 1n3r n GLU 29 Ca -0.14 0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 57.50 1n3r n GLU 29 Cb 0.57 -2.72 -0.12 0.00 -0.02 0.00 0.00 31.44 29.15 1n3r n GLU 29 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n3r s MET 30 N 3.91 3.68 0.01 3.49 -2.45 -1.26 -5.05 119.30 121.63 1n3r s MET 30 Ca 0.91 -0.49 -0.38 0.00 -1.25 0.00 0.00 55.69 54.48 1n3r s MET 30 Cb -0.64 -3.14 -0.18 0.00 1.25 0.00 0.00 34.83 32.13 1n3r s MET 30 CO 0.49 0.02 1.29 -3.47 1.05 0.00 0.00 175.02 174.40 1n3r n ASP 31 N 4.24 1.14 -0.18 1.11 2.03 -1.26 -4.78 116.55 118.85 1n3r n ASP 31 Ca -0.17 1.13 0.15 0.00 0.52 0.00 0.00 54.79 56.42 1n3r n ASP 31 Cb 0.52 -1.09 0.48 0.00 -0.72 0.00 0.00 41.12 40.31 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 4.25 0.43 0.40 1.67 -1.24 -2.00 -1.22 115.58 117.88 1n3r h ASN 32 Ca -0.49 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.53 1n3r h ASN 32 Cb 1.37 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.36 1n3r h ASN 32 CO 0.76 0.22 -0.19 -0.33 -1.29 0.00 0.00 177.43 176.60 1n3r h GLU 33 N 0.46 -0.52 -0.48 6.67 5.08 -2.01 -2.84 114.58 120.94 1n3r h GLU 33 Ca 0.38 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.87 1n3r h GLU 33 Cb 0.83 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.10 1n3r h GLU 33 CO -0.13 -0.35 -0.26 1.15 -1.00 0.00 0.00 179.01 178.42 1n3r h THR 34 N -0.55 0.29 -0.73 1.13 2.02 -1.59 -1.35 112.91 112.14 1n3r h THR 34 Ca -0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.21 1n3r h THR 34 Cb 0.42 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 1n3r h THR 34 CO 0.09 0.00 0.40 0.03 0.37 0.00 0.00 175.52 176.41 1n3r h ARG 35 N -0.15 0.67 0.23 6.66 3.08 -1.40 -0.09 114.38 123.38 1n3r h ARG 35 Ca 0.22 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1n3r h ARG 35 Cb 0.50 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1n3r h ARG 35 CO -0.57 0.44 -0.11 0.87 -1.07 0.00 0.00 179.97 179.53 1n3r h LYS 36 N 0.69 -0.30 -0.55 0.04 1.57 -1.03 0.07 116.57 117.05 1n3r h LYS 36 Ca 0.35 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.23 1n3r h LYS 36 Cb 0.30 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 1n3r h LYS 36 CO -0.23 -0.13 0.19 0.66 -0.57 0.00 0.00 179.45 179.37 1n3r h SER 37 N -0.41 0.17 -0.54 0.86 4.64 -1.01 -1.25 113.55 116.02 1n3r h SER 37 Ca -0.03 0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1n3r h SER 37 Cb 0.31 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 1n3r h SER 37 CO 0.05 0.12 0.21 -0.07 -0.87 0.00 0.00 176.83 176.27 1n3r h LEU 38 N 0.36 0.24 -0.92 5.97 3.38 -0.73 -0.53 115.31 123.08 1n3r h LEU 38 Ca 0.28 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1n3r h LEU 38 Cb 0.33 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1n3r h LEU 38 CO -0.29 0.16 -0.19 0.40 0.09 0.00 0.00 178.44 178.61 1n3r h ILE 39 N 0.41 1.26 -0.57 1.22 2.04 -0.22 -2.13 117.51 119.52 1n3r h ILE 39 Ca 0.26 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1n3r h ILE 39 Cb 0.26 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1n3r h ILE 39 CO -0.24 0.39 0.15 0.00 0.00 0.00 0.00 178.15 178.45 1n3r h ALA 40 N 1.28 1.19 -0.72 1.87 0.00 -0.43 0.23 119.26 122.69 1n3r h ALA 40 Ca 0.08 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1n3r h ALA 40 Cb 0.62 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1n3r h ALA 40 CO 0.04 0.56 0.42 0.78 0.00 0.00 0.00 179.25 181.05 1n3r h GLY 41 N 0.99 1.07 1.09 0.00 0.00 -0.46 0.83 103.07 106.60 1n3r h GLY 41 Ca 0.19 -0.30 -0.18 0.00 0.00 0.00 0.00 47.33 47.04 1n3r h GLY 41 CO -0.00 0.19 -0.53 0.45 0.00 0.00 0.00 176.54 176.65 1n3r h HIS 42 N 0.77 1.02 -0.17 5.60 -0.00 -0.97 -2.02 115.15 119.39 1n3r h HIS 42 Ca 0.32 -0.37 -0.05 0.00 -0.00 0.00 0.00 60.37 60.27 1n3r h HIS 42 Cb 0.18 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1n3r h HIS 42 CO -0.06 1.19 -0.11 0.52 -0.00 0.00 0.00 177.93 179.46 1n3r h MET 43 N 0.56 0.26 -0.21 2.45 2.86 0.49 0.14 114.93 121.47 1n3r h MET 43 Ca 0.01 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 1n3r h MET 43 Cb 1.14 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1n3r h MET 43 CO 0.12 0.38 0.00 1.15 1.06 0.00 0.00 176.91 179.62 1n3r h THR 44 N 0.25 1.25 -0.51 2.22 2.02 0.83 -1.38 112.91 117.60 1n3r h THR 44 Ca 0.05 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.38 1n3r h THR 44 Cb 0.36 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 1n3r h THR 44 CO 0.02 0.27 0.32 -0.33 0.37 0.00 0.00 175.52 176.17 1n3r h GLU 45 N 0.14 0.62 -0.81 6.66 4.39 -0.62 -0.99 114.58 123.97 1n3r h GLU 45 Ca 0.06 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1n3r h GLU 45 Cb 0.39 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1n3r h GLU 45 CO 0.01 0.41 0.39 0.82 -1.16 0.00 0.00 179.01 179.48 1n3r h ILE 46 N 0.64 1.25 -0.48 3.13 2.04 -0.65 0.54 117.51 124.00 1n3r h ILE 46 Ca 0.20 -0.72 -0.13 0.00 1.00 0.00 0.00 64.86 65.21 1n3r h ILE 46 Cb -0.02 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1n3r h ILE 46 CO -0.07 0.31 -0.22 0.24 0.00 0.00 0.00 178.15 178.40 1n3r h MET 47 N 1.15 0.99 -0.29 2.37 2.86 -0.94 -1.86 114.93 119.21 1n3r h MET 47 Ca 0.28 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1n3r h MET 47 Cb 0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1n3r h MET 47 CO -0.03 1.11 -0.24 1.96 1.06 0.00 0.00 176.91 180.77 1n3r h GLN 48 N 0.85 0.57 0.00 1.72 4.20 -0.90 -1.18 115.11 120.37 1n3r h GLN 48 Ca 0.11 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1n3r h GLN 48 Cb 0.81 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1n3r h GLN 48 CO 0.07 0.76 0.00 -0.07 -0.67 0.00 0.00 178.83 178.92 1n3r h LEU 49 N 0.50 0.00 -0.84 1.46 3.38 -0.48 -1.15 115.31 118.18 1n3r h LEU 49 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n3r h LEU 49 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1n3r h LEU 49 CO 0.05 0.00 -0.36 0.18 0.09 0.00 0.00 178.44 178.40 1n3r n LEU 50 N -2.55 1.68 -0.27 1.67 4.77 -0.48 -4.96 117.00 116.86 1n3r n LEU 50 Ca 0.00 -0.58 -0.03 0.00 -0.03 0.00 0.00 56.01 55.38 1n3r n LEU 50 Cb 0.19 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1n3r n LEU 50 CO 0.19 0.31 -0.03 0.59 -1.33 0.00 0.00 177.39 177.12 1n3r n ASN 51 N -0.20 -2.66 -3.90 -1.43 3.02 -0.43 -5.05 115.26 104.60 1n3r n ASN 51 Ca 0.11 0.04 -0.30 0.00 -0.03 0.00 0.00 54.58 54.40 1n3r n ASN 51 Cb 0.43 -1.11 0.22 0.00 -0.61 0.00 0.00 39.78 38.71 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 -0.73 1.87 -0.54 3.41 1.43 -0.99 -5.02 118.68 118.11 1n3r s LEU 52 Ca 0.00 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 1n3r s LEU 52 Cb 0.00 -2.21 0.15 0.00 0.03 0.00 0.00 46.19 44.15 1n3r s LEU 52 CO 0.00 -3.40 0.34 -0.62 0.23 0.00 0.00 176.35 172.90 1n3r s ASP 53 N -4.53 3.95 0.02 2.29 2.15 -1.26 -4.80 116.67 114.49 1n3r s ASP 53 Ca 0.74 -3.18 0.01 0.00 0.43 0.00 0.00 52.55 50.54 1n3r s ASP 53 Cb -0.05 -1.32 0.05 0.00 -0.30 0.00 0.00 42.92 41.30 1n3r s ASP 53 CO 0.54 -0.19 0.93 0.18 -0.17 0.00 0.00 175.17 176.47 1n3r n LEU 54 N 2.83 0.02 -0.13 -1.34 4.77 -1.26 -0.35 117.00 121.54 1n3r n LEU 54 Ca 0.14 0.41 -0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1n3r n LEU 54 Cb 0.36 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1n3r n LEU 54 CO 0.26 -0.42 0.74 0.00 -1.33 0.00 0.00 177.39 176.64 1n3r h ALA 55 N 1.61 0.53 -1.48 -1.18 0.00 -1.96 -3.24 119.26 113.54 1n3r h ALA 55 Ca 0.00 -0.29 -0.74 0.00 0.00 0.00 0.00 54.91 53.88 1n3r h ALA 55 Cb 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 17.88 1n3r h ALA 55 CO 0.00 0.36 0.67 -3.47 0.00 0.00 0.00 179.25 176.81 1n3r n ASP 56 N -4.40 1.82 0.31 0.00 2.03 0.53 -4.75 116.55 112.08 1n3r n ASP 56 Ca -0.01 1.11 0.11 0.00 0.52 0.00 0.00 54.79 56.52 1n3r n ASP 56 Cb 0.33 -1.11 0.60 0.00 -0.72 0.00 0.00 41.12 40.22 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 5.78 0.00 0.00 1.67 2.03 -1.88 -1.77 116.42 122.25 1n3r h ASP 57 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1n3r h ASP 57 Cb 1.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 1n3r h ASP 57 CO 0.88 0.00 0.00 -0.24 -1.03 0.00 0.00 179.24 178.85 1n3r n SER 58 N -2.68 0.00 -0.18 4.15 2.88 -1.26 -4.27 113.62 112.27 1n3r n SER 58 Ca -0.01 0.24 0.27 0.00 -1.33 0.00 0.00 58.87 58.03 1n3r n SER 58 Cb 0.48 -0.18 0.70 0.00 -0.75 0.00 0.00 64.21 64.45 1n3r n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1n3r h LEU 59 N 0.00 0.05 -1.74 2.46 3.38 -1.84 -3.10 115.31 114.52 1n3r h LEU 59 Ca 0.00 0.01 0.51 0.00 0.09 0.00 0.00 57.88 58.49 1n3r h LEU 59 Cb 0.00 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1n3r h LEU 59 CO 0.00 0.02 1.24 0.80 0.09 0.00 0.00 178.44 180.59 1n3r n MET 60 N -4.30 -0.00 -0.03 1.13 1.56 -0.67 0.35 117.12 115.15 1n3r n MET 60 Ca 0.18 1.01 0.08 0.00 -0.27 0.00 0.00 57.70 58.71 1n3r n MET 60 Cb 0.92 -2.29 0.08 0.00 2.15 0.00 0.00 33.22 34.09 1n3r n MET 60 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1n3r n GLU 61 N -3.86 1.39 -0.02 2.12 -0.58 -1.17 -4.61 120.64 113.90 1n3r n GLU 61 Ca 0.40 -1.54 -0.11 0.00 -0.42 0.00 0.00 57.16 55.49 1n3r n GLU 61 Cb 1.80 -1.32 -0.05 0.00 -0.57 0.00 0.00 31.44 31.30 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 3.13 1.07 -0.73 2.62 2.02 -0.31 0.12 112.91 120.82 1n3r h THR 62 Ca 0.00 -0.19 0.13 0.00 0.77 0.00 0.00 66.41 67.12 1n3r h THR 62 Cb 0.69 0.94 -0.09 0.00 -1.74 0.00 0.00 68.15 67.95 1n3r h THR 62 CO 0.00 0.07 0.30 -0.65 0.37 0.00 0.00 175.52 175.60 1n3r h PRO 63 N 0.16 0.44 -0.56 6.66 0.11 -1.82 0.21 132.00 137.21 1n3r h PRO 63 Ca 0.05 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 1n3r h PRO 63 Cb 0.04 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1n3r h PRO 63 CO -0.01 0.29 0.12 0.45 -0.21 0.00 0.00 178.00 178.64 1n3r h HIS 64 N 0.45 0.95 0.39 0.65 3.86 -1.74 -2.68 115.15 117.04 1n3r h HIS 64 Ca 0.39 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1n3r h HIS 64 Cb 0.57 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1n3r h HIS 64 CO -0.16 0.83 -0.19 0.00 0.86 0.00 0.00 177.93 179.27 1n3r h ARG 65 N 0.80 -0.50 -0.85 2.45 3.08 0.37 -2.58 114.38 117.15 1n3r h ARG 65 Ca 0.17 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.41 1n3r h ARG 65 Cb 0.37 0.11 -0.10 0.00 0.08 0.00 0.00 29.97 30.44 1n3r h ARG 65 CO 0.01 -0.23 0.42 0.82 -1.07 0.00 0.00 179.97 179.91 1n3r h ILE 66 N -0.71 0.69 -0.15 2.04 2.04 -0.66 0.18 117.51 120.94 1n3r h ILE 66 Ca -0.05 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1n3r h ILE 66 Cb 0.50 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1n3r h ILE 66 CO 0.09 0.11 0.07 0.00 0.00 0.00 0.00 178.15 178.41 1n3r h ALA 67 N 1.57 0.17 -0.56 1.87 0.00 -1.43 -0.11 119.26 120.78 1n3r h ALA 67 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1n3r h ALA 67 Cb 0.70 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1n3r h ALA 67 CO -0.38 -0.37 0.29 -0.22 0.00 0.00 0.00 179.25 178.57 1n3r h LYS 68 N 0.15 0.78 0.14 0.00 3.11 -0.70 -1.38 116.57 118.67 1n3r h LYS 68 Ca 0.06 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.81 1n3r h LYS 68 Cb 0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.09 1n3r h LYS 68 CO -0.04 0.58 -0.07 1.98 -2.81 0.00 0.00 179.45 179.10 1n3r h MET 69 N 0.78 -0.18 0.67 1.90 4.05 0.04 -0.03 114.93 122.16 1n3r h MET 69 Ca 0.20 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 1n3r h MET 69 Cb 0.05 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1n3r h MET 69 CO -0.03 0.11 -0.48 1.88 0.23 0.00 0.00 176.91 178.62 1n3r h TYR 70 N -0.49 -1.31 -0.19 1.39 -1.99 -0.73 0.17 116.97 113.82 1n3r h TYR 70 Ca -0.02 -0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.54 1n3r h TYR 70 Cb 0.38 0.48 0.00 0.00 2.00 0.00 0.00 36.73 39.60 1n3r h TYR 70 CO 0.02 -0.69 -0.51 0.28 -0.00 0.00 0.00 178.16 177.25 1n3r h VAL 71 N -1.11 1.31 -0.00 -2.88 2.07 -1.34 -3.04 116.25 111.27 1n3r h VAL 71 Ca -0.09 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.69 1n3r h VAL 71 Cb 0.91 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1n3r h VAL 71 CO 0.04 0.55 -0.85 0.47 0.02 0.00 0.00 177.57 177.80 1n3r n ASP 72 N -4.14 0.90 0.00 0.57 8.00 -0.03 -4.34 116.55 117.50 1n3r n ASP 72 Ca -0.06 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1n3r n ASP 72 Cb 0.60 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.49 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 -1.45 0.00 0.07 -1.24 1.02 0.43 -4.72 120.64 114.74 1n3r n GLU 73 Ca 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.21 1n3r n GLU 73 Cb 0.34 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.90 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 0.95 -0.22 -3.67 -5.35 -0.28 -0.81 119.36 109.99 1n3r n ILE 74 Ca 0.00 0.60 0.00 0.00 -0.27 0.00 0.00 62.75 63.08 1n3r n ILE 74 Cb 0.00 -1.60 0.00 0.00 -1.74 0.00 0.00 39.64 36.30 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 -1.60 0.00 0.00 4.28 3.72 -1.15 -2.74 117.46 119.97 1n3r n PHE 75 Ca -0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1n3r n PHE 75 Cb 0.25 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 1n3r n PHE 75 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1n3r n SER 76 N -0.08 0.00 0.14 4.37 3.41 0.01 -1.02 113.62 120.44 1n3r n SER 76 Ca 0.00 0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 1n3r n SER 76 Cb 0.11 -0.12 0.30 0.00 -0.26 0.00 0.00 64.21 64.24 1n3r n SER 76 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1n3r h GLY 77 N 0.00 0.00 2.00 5.00 0.00 -0.42 -3.05 103.07 106.60 1n3r h GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n3r h GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1n3r h LEU 78 N 0.00 0.00 -8.48 3.11 3.38 -1.19 -3.40 115.31 108.72 1n3r h LEU 78 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1n3r h LEU 78 Cb 0.83 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.35 1n3r h LEU 78 CO 0.00 0.00 -0.55 -0.62 0.09 0.00 0.00 178.44 177.36 1n3r s ASP 79 N -5.32 5.56 0.00 -0.43 -1.08 -1.15 -4.96 116.67 109.30 1n3r s ASP 79 Ca 0.03 -0.69 0.17 0.00 -0.52 0.00 0.00 52.55 51.54 1n3r s ASP 79 Cb 0.09 -1.99 1.00 0.00 -1.46 0.00 0.00 42.92 40.55 1n3r s ASP 79 CO 0.52 -0.25 1.41 -1.22 0.52 0.00 0.00 175.17 176.15 1n3r n TYR 80 N 4.97 0.00 0.56 -5.34 4.02 -1.26 -1.80 117.16 118.30 1n3r n TYR 80 Ca -0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.87 1n3r n TYR 80 Cb 0.48 0.00 0.45 0.00 -0.02 0.00 0.00 39.34 40.25 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 -0.95 1.93 1.06 -0.72 0.00 -1.26 -2.15 120.51 118.42 1n3r n ALA 81 Ca 0.13 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1n3r n ALA 81 Cb 0.06 -1.40 0.12 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.04 1.15 -4.63 0.00 3.02 -0.75 -4.95 115.26 107.06 1n3r n ASN 82 Ca 0.04 -0.93 -0.49 0.00 -0.03 0.00 0.00 54.58 53.17 1n3r n ASN 82 Cb 0.29 0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 39.88 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 -0.90 1.91 -2.05 3.10 7.35 -0.91 -4.89 117.46 121.06 1n3r n PHE 83 Ca 0.08 0.45 -0.41 0.00 -0.76 0.00 0.00 57.45 56.81 1n3r n PHE 83 Cb 0.37 -2.44 -0.02 0.00 0.35 0.00 0.00 39.48 37.74 1n3r n PHE 83 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1n3r s PRO 84 N 0.71 4.31 -0.50 -7.13 0.04 -1.26 -4.92 135.00 126.24 1n3r s PRO 84 Ca 0.81 2.29 -0.27 0.00 0.04 0.00 0.00 61.00 63.87 1n3r s PRO 84 Cb -0.81 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 1n3r s PRO 84 CO 0.42 -0.26 2.01 0.15 0.04 0.00 0.00 177.00 179.36 1n3r s LYS 85 N -1.80 2.66 0.02 4.56 1.02 -1.26 -4.94 119.74 120.00 1n3r s LYS 85 Ca 0.50 1.06 -0.30 0.00 0.02 0.00 0.00 55.97 57.25 1n3r s LYS 85 Cb -0.41 -4.40 -0.04 0.00 -0.52 0.00 0.00 37.83 32.46 1n3r s LYS 85 CO 0.55 -2.67 1.00 0.42 -0.92 0.00 0.00 175.35 173.73 1n3r s ILE 86 N 9.41 4.75 0.06 2.17 -1.09 -1.26 -5.04 121.20 130.20 1n3r s ILE 86 Ca 0.79 2.00 0.09 0.00 -2.23 0.00 0.00 60.65 61.30 1n3r s ILE 86 Cb -0.17 -4.28 -0.03 0.00 -1.58 0.00 0.00 42.46 36.40 1n3r s ILE 86 CO 0.25 0.17 -0.24 0.42 -1.23 0.00 0.00 174.94 174.31 1n3r s THR 87 N 0.92 1.97 0.36 2.92 -4.23 -1.26 -5.09 115.64 111.23 1n3r s THR 87 Ca 0.52 -1.38 0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1n3r s THR 87 Cb -0.22 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1n3r s THR 87 CO 0.28 0.26 0.19 0.18 -0.54 0.00 0.00 174.62 175.00 1n3r n LEU 88 N 1.67 0.00 -3.80 4.79 4.77 -1.26 -2.36 117.00 120.81 1n3r n LEU 88 Ca -0.17 -3.01 -0.11 0.00 -0.03 0.00 0.00 56.01 52.68 1n3r n LEU 88 Cb 0.53 1.25 -0.08 0.00 -2.33 0.00 0.00 43.42 42.78 1n3r n LEU 88 CO 0.23 -0.48 -0.03 0.27 -1.33 0.00 0.00 177.39 176.05 1n3r s ILE 89 N -3.14 0.09 0.50 -0.08 -4.36 -1.13 -4.97 121.20 108.11 1n3r s ILE 89 Ca 0.28 -0.74 -0.22 0.00 -0.26 0.00 0.00 60.65 59.71 1n3r s ILE 89 Cb 0.01 -0.86 -0.06 0.00 1.25 0.00 0.00 42.46 42.80 1n3r s ILE 89 CO 0.19 -0.41 1.21 -0.70 0.24 0.00 0.00 174.94 175.47 1n3r s GLU 90 N -2.34 3.50 -1.39 0.37 2.12 -1.26 -2.06 118.70 117.64 1n3r s GLU 90 Ca -0.07 1.86 -0.07 0.00 0.36 0.00 0.00 54.97 57.05 1n3r s GLU 90 Cb -0.02 -2.28 0.07 0.00 0.26 0.00 0.00 34.13 32.17 1n3r s GLU 90 CO -0.02 -0.79 2.50 -1.71 -0.54 0.00 0.00 175.26 174.70 1n3r n ASN 91 N -0.81 8.09 0.00 -1.70 5.15 -0.29 -4.63 115.26 121.07 1n3r n ASN 91 Ca 0.09 -3.01 0.08 0.00 -0.60 0.00 0.00 54.58 51.14 1n3r n ASN 91 Cb 0.48 -1.41 0.44 0.00 -0.53 0.00 0.00 39.78 38.76 1n3r n ASN 91 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1n3r n LYS 92 N 2.24 0.30 0.01 1.20 5.02 -1.26 -1.87 118.16 123.79 1n3r n LYS 92 Ca 0.65 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 57.17 1n3r n LYS 92 Cb 0.25 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.96 1n3r n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1n3r n MET 93 N -1.23 0.06 -3.74 1.97 2.81 -1.26 -4.97 117.12 110.75 1n3r n MET 93 Ca 0.09 0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.74 1n3r n MET 93 Cb 0.12 -1.53 0.02 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.60 -3.38 -2.58 0.03 4.01 -0.78 -4.86 118.16 109.01 1n3r n LYS 94 Ca 0.05 0.53 -0.41 0.00 -0.51 0.00 0.00 58.31 57.97 1n3r n LYS 94 Cb 0.35 -4.76 -0.03 0.00 -0.51 0.00 0.00 35.03 30.09 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 -3.69 3.92 -1.86 -0.18 1.01 -1.26 -4.82 120.40 113.52 1n3r s VAL 95 Ca 0.14 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.62 1n3r s VAL 95 Cb -0.05 -5.02 0.25 0.00 0.00 0.00 0.00 36.38 31.56 1n3r s VAL 95 CO 0.84 -1.90 1.17 -0.90 0.00 0.00 0.00 175.10 174.31 1n3r n ASP 96 N 8.87 1.59 -4.87 3.32 5.75 -1.26 -4.20 116.55 125.75 1n3r n ASP 96 Ca 0.27 -2.04 -0.22 0.00 -0.01 0.00 0.00 54.79 52.80 1n3r n ASP 96 Cb 0.51 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 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 -1.64 2.47 0.19 0.11 0.41 -1.26 -4.97 118.70 114.01 1n3r s GLU 97 Ca 0.18 -1.62 -0.21 0.00 -0.41 0.00 0.00 54.97 52.91 1n3r s GLU 97 Cb 0.10 -2.32 -0.08 0.00 -1.78 0.00 0.00 34.13 30.05 1n3r s GLU 97 CO 0.12 -0.25 0.72 0.00 -0.49 0.00 0.00 175.26 175.35 1n3r s MET 98 N -4.14 4.32 0.02 1.61 0.23 -1.26 -4.32 119.30 115.76 1n3r s MET 98 Ca 0.46 0.93 -0.01 0.00 -1.03 0.00 0.00 55.69 56.04 1n3r s MET 98 Cb -0.03 -3.01 -0.04 0.00 -1.53 0.00 0.00 34.83 30.23 1n3r s MET 98 CO 0.27 0.46 0.17 0.08 -2.03 0.00 0.00 175.02 173.97 1n3r s VAL 99 N -1.39 5.26 -0.02 5.16 1.01 -0.33 -4.93 120.40 125.16 1n3r s VAL 99 Ca 0.40 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1n3r s VAL 99 Cb -0.19 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1n3r s VAL 99 CO 0.22 0.26 -0.02 -0.89 0.00 0.00 0.00 175.10 174.66 1n3r s THR 100 N -1.37 0.28 -0.31 3.92 2.01 -1.26 -2.10 115.64 116.81 1n3r s THR 100 Ca 0.29 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.24 1n3r s THR 100 Cb -0.13 -0.29 0.09 0.00 0.01 0.00 0.00 72.50 72.18 1n3r s THR 100 CO 0.21 0.12 0.05 -0.69 -0.69 0.00 0.00 174.62 173.62 1n3r s VAL 101 N 0.42 1.66 0.30 3.82 1.01 0.68 -4.99 120.40 123.29 1n3r s VAL 101 Ca -0.04 -1.82 0.06 0.00 0.00 0.00 0.00 61.98 60.17 1n3r s VAL 101 Cb -0.07 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1n3r s VAL 101 CO -0.01 -0.54 0.43 0.00 0.00 0.00 0.00 175.10 174.99 1n3r s ARG 102 N 1.24 3.24 -1.49 2.72 1.70 -1.26 0.26 118.95 125.36 1n3r s ARG 102 Ca 0.08 -0.90 -0.12 0.00 -0.47 0.00 0.00 55.73 54.31 1n3r s ARG 102 Cb -0.18 -2.84 0.07 0.00 -0.57 0.00 0.00 34.95 31.42 1n3r s ARG 102 CO -0.14 0.20 0.99 -0.25 -1.08 0.00 0.00 175.30 175.02 1n3r n ASP 103 N -1.56 -4.73 -4.74 -2.89 8.00 -1.17 -4.92 116.55 104.54 1n3r n ASP 103 Ca -0.03 -0.75 -0.41 0.00 0.71 0.00 0.00 54.79 54.31 1n3r n ASP 103 Cb 0.58 -4.06 -0.04 0.00 -0.02 0.00 0.00 41.12 37.58 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 -3.33 3.79 -0.24 0.53 1.01 0.22 -4.77 121.20 118.40 1n3r s ILE 104 Ca 0.60 1.51 -0.29 0.00 0.00 0.00 0.00 60.65 62.47 1n3r s ILE 104 Cb -0.30 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 1n3r s ILE 104 CO 0.82 0.25 1.46 -0.89 0.00 0.00 0.00 174.94 176.57 1n3r s THR 105 N -0.12 3.92 -0.27 2.92 2.01 -1.26 -1.18 115.64 121.67 1n3r s THR 105 Ca 0.51 1.05 0.02 0.00 0.31 0.00 0.00 61.69 63.57 1n3r s THR 105 Cb -0.30 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.36 1n3r s THR 105 CO 0.35 -0.34 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.64 1n3r s LEU 106 N 4.66 3.56 -0.21 4.42 0.20 -0.62 -4.80 118.68 125.90 1n3r s LEU 106 Ca 0.64 -1.34 -0.04 0.00 0.69 0.00 0.00 54.13 54.07 1n3r s LEU 106 Cb -0.22 -1.60 -0.02 0.00 -0.43 0.00 0.00 46.19 43.93 1n3r s LEU 106 CO 0.25 -0.21 -0.02 0.42 -0.29 0.00 0.00 176.35 176.51 1n3r s THR 107 N 1.15 3.68 0.14 3.68 -4.23 -1.26 -0.95 115.64 117.85 1n3r s THR 107 Ca -0.08 -0.40 0.02 0.00 -1.18 0.00 0.00 61.69 60.06 1n3r s THR 107 Cb -0.20 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 1n3r s THR 107 CO -0.04 0.42 0.08 -0.24 -0.54 0.00 0.00 174.62 174.30 1n3r n SER 108 N 4.52 0.44 -3.76 3.99 2.88 -0.28 -4.12 113.62 117.29 1n3r n SER 108 Ca -0.18 -1.83 -0.15 0.00 -1.33 0.00 0.00 58.87 55.39 1n3r n SER 108 Cb 0.51 0.50 -0.16 0.00 -0.75 0.00 0.00 64.21 64.32 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 -2.30 -0.06 -0.17 2.46 2.01 -1.25 -1.13 115.64 115.21 1n3r s THR 109 Ca 0.11 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 1n3r s THR 109 Cb 0.01 -0.12 -0.00 0.00 0.01 0.00 0.00 72.50 72.39 1n3r s THR 109 CO 0.08 0.09 1.03 0.00 -0.69 0.00 0.00 174.62 175.12 1n3r h GLU 111 N 7.28 0.00 0.00 0.00 4.11 -1.40 0.71 114.58 125.28 1n3r h GLU 111 Ca -0.25 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.14 1n3r h GLU 111 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1n3r h GLU 111 CO 0.92 0.09 -0.18 0.66 0.07 0.00 0.00 179.01 180.56 1n3r h SER 112 N 0.00 0.00 0.00 3.06 4.64 -1.92 -3.33 113.55 116.00 1n3r h SER 112 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n3r h SER 112 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1n3r h SER 112 CO 0.01 0.18 0.00 1.41 -0.87 0.00 0.00 176.83 177.56 1n3r n HIS 113 N -3.68 0.00 -3.56 4.77 8.25 -1.02 -5.04 115.22 114.95 1n3r n HIS 113 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1n3r n HIS 113 Cb 0.30 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.11 -2.07 -4.01 4.41 3.01 0.24 -5.00 117.46 113.93 1n3r n PHE 114 Ca 0.00 0.58 -0.09 0.00 1.01 0.00 0.00 57.45 58.96 1n3r n PHE 114 Cb 0.09 -3.68 -0.11 0.00 -0.01 0.00 0.00 39.48 35.77 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 -3.45 0.17 0.08 -4.37 1.01 -1.22 -4.94 120.40 107.68 1n3r s VAL 115 Ca 0.45 -1.13 -0.37 0.00 0.00 0.00 0.00 61.98 60.93 1n3r s VAL 115 Cb -0.13 -0.58 -0.17 0.00 0.00 0.00 0.00 36.38 35.50 1n3r s VAL 115 CO 0.82 -0.61 1.30 0.41 0.00 0.00 0.00 175.10 177.03 1n3r n THR 116 N 1.24 0.05 -4.09 3.92 -1.04 -1.26 -1.30 114.28 111.80 1n3r n THR 116 Ca -0.22 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.45 1n3r n THR 116 Cb 0.56 -0.74 -0.16 0.00 -1.82 0.00 0.00 70.33 68.17 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 0.40 2.17 -0.17 12.58 1.01 -0.28 -1.44 121.20 135.46 1n3r s ILE 117 Ca 0.84 -1.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 1n3r s ILE 117 Cb -0.98 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1n3r s ILE 117 CO 0.48 0.39 -0.14 -0.62 0.00 0.00 0.00 174.94 175.05 1n3r s ASP 118 N 1.25 3.68 0.37 3.58 2.15 -0.42 -1.13 116.67 126.15 1n3r s ASP 118 Ca 0.02 -0.49 -0.03 0.00 0.43 0.00 0.00 52.55 52.48 1n3r s ASP 118 Cb -0.15 -1.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.90 1n3r s ASP 118 CO -0.10 0.04 0.53 0.61 -0.17 0.00 0.00 175.17 176.08 1n3r n GLY 119 N 4.34 1.99 3.09 2.66 0.00 -0.12 -0.13 105.19 117.02 1n3r n GLY 119 Ca -0.19 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.79 1.13 0.02 1.61 3.01 0.06 -1.58 119.74 121.20 1n3r s LYS 120 Ca 0.29 -0.47 0.05 0.00 -1.01 0.00 0.00 55.97 54.83 1n3r s LYS 120 Cb -0.01 -1.07 -0.02 0.00 -1.01 0.00 0.00 37.83 35.71 1n3r s LYS 120 CO 0.21 0.27 -0.16 0.00 0.51 0.00 0.00 175.35 176.18 1n3r s ALA 121 N -0.24 1.33 -0.14 5.17 0.00 -0.32 -1.10 121.76 126.45 1n3r s ALA 121 Ca 0.04 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1n3r s ALA 121 Cb -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1n3r s ALA 121 CO -0.00 0.29 -0.20 0.99 0.00 0.00 0.00 175.76 176.84 1n3r s THR 122 N -0.64 2.32 -0.05 0.00 2.01 0.02 -0.61 115.64 118.69 1n3r s THR 122 Ca 0.04 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1n3r s THR 122 Cb -0.07 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 1n3r s THR 122 CO 0.01 0.54 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.60 1n3r s VAL 123 N 0.70 1.55 0.03 3.82 1.01 0.14 -1.12 120.40 126.53 1n3r s VAL 123 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1n3r s VAL 123 Cb -0.16 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1n3r s VAL 123 CO 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.49 1n3r s ALA 124 N 0.13 0.45 -0.01 5.51 0.00 0.09 -0.23 121.76 127.70 1n3r s ALA 124 Ca -0.07 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.03 1n3r s ALA 124 Cb -0.13 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.08 1n3r s ALA 124 CO 0.03 -0.03 0.51 1.52 0.00 0.00 0.00 175.76 177.80 1n3r s TYR 125 N -1.17 -0.43 -0.52 0.00 1.13 -0.89 -0.10 117.35 115.37 1n3r s TYR 125 Ca -0.09 0.64 -0.10 0.00 -1.41 0.00 0.00 57.07 56.10 1n3r s TYR 125 Cb -0.09 0.29 0.13 0.00 -1.10 0.00 0.00 41.96 41.20 1n3r s TYR 125 CO 0.00 -0.56 0.41 0.42 -2.51 0.00 0.00 175.55 173.31 1n3r s ILE 126 N -1.69 4.47 -0.33 -3.49 1.01 -0.91 -1.19 121.20 119.07 1n3r s ILE 126 Ca -0.10 -1.85 -0.44 0.00 0.00 0.00 0.00 60.65 58.27 1n3r s ILE 126 Cb -0.02 -3.91 -0.19 0.00 0.01 0.00 0.00 42.46 38.35 1n3r s ILE 126 CO 0.04 -0.82 1.54 -2.65 0.00 0.00 0.00 174.94 173.05 1n3r n PRO 127 N 4.83 0.35 0.00 2.79 -0.02 -1.26 -4.88 135.00 136.81 1n3r n PRO 127 Ca -0.07 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1n3r n PRO 127 Cb 0.41 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 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 3.86 0.00 -0.00 -0.52 4.81 -1.26 -4.75 118.16 120.29 1n3r n LYS 128 Ca 0.27 0.01 0.02 0.00 -0.87 0.00 0.00 58.31 57.75 1n3r n LYS 128 Cb 0.02 -0.35 -0.03 0.00 0.02 0.00 0.00 35.03 34.69 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 -0.86 1.87 -4.10 3.14 8.00 -1.26 -4.92 116.55 118.42 1n3r n ASP 129 Ca 0.00 -0.34 -0.18 0.00 0.71 0.00 0.00 54.79 54.98 1n3r n ASP 129 Cb 0.00 1.11 -0.13 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.99 1.34 -0.31 -2.24 1.04 -1.26 -1.14 113.70 109.15 1n3r s SER 130 Ca 0.00 -0.41 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 1n3r s SER 130 Cb 0.04 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1n3r s SER 130 CO 0.21 0.00 0.06 -0.69 0.98 0.00 0.00 173.24 173.80 1n3r s VAL 131 N -0.81 3.65 0.46 5.02 1.01 -0.87 -4.71 120.40 124.14 1n3r s VAL 131 Ca -0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 1n3r s VAL 131 Cb -0.07 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 1n3r s VAL 131 CO 0.01 -0.02 1.03 -0.51 0.00 0.00 0.00 175.10 175.61 1n3r s ILE 132 N 1.42 3.81 0.23 2.22 2.07 -1.26 -2.85 121.20 126.84 1n3r s ILE 132 Ca -0.00 1.19 -0.31 0.00 -1.41 0.00 0.00 60.65 60.12 1n3r s ILE 132 Cb -0.18 -3.52 -0.11 0.00 0.13 0.00 0.00 42.46 38.78 1n3r s ILE 132 CO 0.01 -0.19 1.62 -0.83 -1.91 0.00 0.00 174.94 173.65 1n3r s GLY 133 N -1.89 1.66 0.09 1.50 0.00 -0.99 -4.92 107.32 102.77 1n3r s GLY 133 Ca 0.65 1.51 -0.33 0.00 0.00 0.00 0.00 44.72 46.54 1n3r s GLY 133 CO 0.21 2.67 1.53 1.41 0.00 0.00 0.00 173.10 178.92 1n3r h LEU 134 N 6.04 -1.46 -1.91 0.66 3.38 -1.93 -1.75 115.31 118.33 1n3r h LEU 134 Ca -0.44 0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.76 1n3r h LEU 134 Cb 1.21 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1n3r h LEU 134 CO 0.88 -0.57 0.45 0.77 0.09 0.00 0.00 178.44 180.06 1n3r h SER 135 N -0.80 0.00 -0.91 -0.43 4.64 -2.00 0.33 113.55 114.37 1n3r h SER 135 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1n3r h SER 135 Cb 0.76 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 1n3r h SER 135 CO -0.21 0.00 0.56 0.11 -0.87 0.00 0.00 176.83 176.42 1n3r h LYS 136 N 0.00 1.24 -0.23 4.77 1.79 -1.69 0.10 116.57 122.56 1n3r h LYS 136 Ca 0.14 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1n3r h LYS 136 Cb 1.03 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 1n3r h LYS 136 CO -0.00 0.86 0.10 0.82 -1.08 0.00 0.00 179.45 180.15 1n3r h ILE 137 N 1.26 1.09 0.22 1.86 2.04 -0.38 0.11 117.51 123.72 1n3r h ILE 137 Ca 0.33 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 1n3r h ILE 137 Cb -0.06 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1n3r h ILE 137 CO -0.06 0.10 -0.11 0.78 0.00 0.00 0.00 178.15 178.86 1n3r h ASN 138 N 0.31 -0.25 -0.15 1.72 2.35 -1.08 -2.93 115.58 115.55 1n3r h ASN 138 Ca 0.08 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1n3r h ASN 138 Cb 0.05 0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 1n3r h ASN 138 CO -0.01 0.26 -0.14 0.03 -1.65 0.00 0.00 177.43 175.92 1n3r h ARG 139 N -0.92 -0.16 -1.01 0.81 3.08 -0.53 0.57 114.38 116.22 1n3r h ARG 139 Ca -0.03 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.21 1n3r h ARG 139 Cb 0.49 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.48 1n3r h ARG 139 CO 0.05 -0.11 0.62 0.82 -1.07 0.00 0.00 179.97 180.28 1n3r h ILE 140 N -0.17 0.75 -0.16 2.04 2.04 -0.91 0.91 117.51 122.01 1n3r h ILE 140 Ca 0.10 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1n3r h ILE 140 Cb 0.32 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1n3r h ILE 140 CO -0.25 0.15 -0.06 0.58 0.00 0.00 0.00 178.15 178.57 1n3r h VAL 141 N 0.81 1.30 0.00 1.67 2.07 -0.96 -3.02 116.25 118.13 1n3r h VAL 141 Ca 0.56 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 1n3r h VAL 141 Cb 0.82 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1n3r h VAL 141 CO -0.36 0.31 -0.13 1.56 0.02 0.00 0.00 177.57 178.98 1n3r h GLN 142 N 0.00 0.00 0.83 1.57 1.08 0.12 -1.72 115.11 116.99 1n3r h GLN 142 Ca 0.04 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1n3r h GLN 142 Cb 0.51 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1n3r h GLN 142 CO 0.02 0.13 -0.40 0.35 -0.95 0.00 0.00 178.83 177.98 1n3r h PHE 143 N 0.00 -1.04 0.00 2.96 3.57 0.85 -1.89 116.94 121.39 1n3r h PHE 143 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1n3r h PHE 143 Cb 0.55 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1n3r h PHE 143 CO 0.00 -0.64 0.00 0.74 -2.23 0.00 0.00 178.31 176.18 1n3r h PHE 144 N -1.26 0.00 0.00 0.41 0.04 -1.47 -2.46 116.94 112.20 1n3r h PHE 144 Ca -0.11 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.49 1n3r h PHE 144 Cb 0.86 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1n3r h PHE 144 CO -0.00 0.00 -0.80 0.00 -0.60 0.00 0.00 178.31 176.91 1n3r h ALA 145 N 2.00 0.64 -0.50 2.45 0.00 -1.10 -3.35 119.26 119.40 1n3r h ALA 145 Ca 0.00 -0.73 -0.73 0.00 0.00 0.00 0.00 54.91 53.45 1n3r h ALA 145 Cb 0.32 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1n3r h ALA 145 CO 0.00 1.00 2.54 1.04 0.00 0.00 0.00 179.25 183.83 1n3r n GLN 146 N -3.53 3.25 -3.46 0.00 1.13 -0.73 -4.02 117.38 110.02 1n3r n GLN 146 Ca -0.00 -3.09 -0.12 0.00 -1.94 0.00 0.00 57.00 51.84 1n3r n GLN 146 Cb 0.78 -3.11 -0.03 0.00 0.11 0.00 0.00 30.24 28.00 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 1.80 1.14 0.04 -1.09 0.52 -1.11 0.17 118.95 120.41 1n3r s ARG 147 Ca 0.43 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 1n3r s ARG 147 Cb 0.11 0.53 -0.07 0.00 0.52 0.00 0.00 34.95 36.04 1n3r s ARG 147 CO -0.04 -0.47 1.46 -2.14 0.02 0.00 0.00 175.30 174.13 1n3r s PRO 148 N -3.13 4.27 0.47 3.54 0.02 -1.26 -3.78 135.00 135.13 1n3r s PRO 148 Ca -0.00 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.11 1n3r s PRO 148 Cb -0.01 -3.53 -0.01 0.00 0.02 0.00 0.00 34.50 30.98 1n3r s PRO 148 CO -0.08 -0.59 0.07 1.04 -0.33 0.00 0.00 177.00 177.11 1n3r n GLN 149 N 5.20 0.66 -3.67 5.54 1.13 0.50 -4.62 117.38 122.12 1n3r n GLN 149 Ca 0.14 -3.66 -0.23 0.00 -1.94 0.00 0.00 57.00 51.30 1n3r n GLN 149 Cb 0.43 1.45 -0.18 0.00 0.11 0.00 0.00 30.24 32.05 1n3r n GLN 149 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1n3r s VAL 150 N -2.99 -0.00 0.29 5.09 1.01 -1.26 -1.18 120.40 121.35 1n3r s VAL 150 Ca 0.10 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1n3r s VAL 150 Cb 0.01 -0.40 0.31 0.00 0.00 0.00 0.00 36.38 36.30 1n3r s VAL 150 CO 0.07 0.01 1.64 -0.61 0.00 0.00 0.00 175.10 176.21 1n3r h GLN 151 N 8.41 0.18 0.30 2.72 4.15 -1.99 0.17 115.11 129.04 1n3r h GLN 151 Ca -0.14 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1n3r h GLN 151 Cb 1.13 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.78 1n3r h GLN 151 CO 0.22 0.12 -0.17 0.93 -1.93 0.00 0.00 178.83 178.00 1n3r h GLU 152 N 0.19 -0.42 -0.78 1.69 3.07 -1.99 -2.01 114.58 114.33 1n3r h GLU 152 Ca 0.55 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.38 1n3r h GLU 152 Cb 1.11 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 1n3r h GLU 152 CO -0.67 -0.28 0.28 -0.09 -1.40 0.00 0.00 179.01 176.84 1n3r h ARG 153 N -0.44 1.18 -0.17 2.33 2.43 -1.65 -2.79 114.38 115.26 1n3r h ARG 153 Ca -0.03 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1n3r h ARG 153 Cb 0.36 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1n3r h ARG 153 CO 0.04 0.98 -0.12 1.25 -1.51 0.00 0.00 179.97 180.61 1n3r h LEU 154 N 1.14 -0.40 -0.26 3.80 5.85 -0.53 0.49 115.31 125.40 1n3r h LEU 154 Ca 0.25 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.11 1n3r h LEU 154 Cb 0.26 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1n3r h LEU 154 CO -0.01 -0.16 -0.01 0.74 -0.34 0.00 0.00 178.44 178.65 1n3r h THR 155 N -0.13 0.80 -0.80 1.05 2.02 -1.28 -1.83 112.91 112.75 1n3r h THR 155 Ca 0.11 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1n3r h THR 155 Cb 0.28 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1n3r h THR 155 CO -0.25 0.01 0.52 1.56 0.37 0.00 0.00 175.52 177.73 1n3r h GLN 156 N 0.07 0.94 0.31 6.66 1.08 -1.12 -1.96 115.11 121.08 1n3r h GLN 156 Ca 0.12 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1n3r h GLN 156 Cb 0.17 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1n3r h GLN 156 CO -0.22 0.62 -0.15 1.96 -0.95 0.00 0.00 178.83 180.09 1n3r h GLN 157 N 0.96 -0.40 -0.64 1.46 4.20 -0.28 -2.19 115.11 118.22 1n3r h GLN 157 Ca 0.32 0.03 0.14 0.00 0.06 0.00 0.00 58.65 59.19 1n3r h GLN 157 Cb 0.07 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.83 1n3r h GLN 157 CO -0.10 -0.12 -0.03 0.82 -0.67 0.00 0.00 178.83 178.73 1n3r h ILE 158 N -0.66 0.44 0.41 2.54 1.08 -1.00 0.07 117.51 120.40 1n3r h ILE 158 Ca -0.04 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 1n3r h ILE 158 Cb 0.46 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1n3r h ILE 158 CO 0.07 0.02 -0.38 0.25 -0.69 0.00 0.00 178.15 177.42 1n3r h LEU 159 N 0.09 -1.02 -0.68 1.44 5.85 -1.28 -1.52 115.31 118.19 1n3r h LEU 159 Ca 0.33 0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.28 1n3r h LEU 159 Cb 0.55 0.33 -0.11 0.00 0.37 0.00 0.00 40.66 41.80 1n3r h LEU 159 CO -0.58 -0.51 0.11 0.40 -0.34 0.00 0.00 178.44 177.53 1n3r h ILE 160 N -0.78 0.52 -0.88 4.05 1.08 -0.80 -0.55 117.51 120.15 1n3r h ILE 160 Ca -0.05 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1n3r h ILE 160 Cb 0.66 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 1n3r h ILE 160 CO -0.02 0.04 0.47 0.00 -0.69 0.00 0.00 178.15 177.95 1n3r h ALA 161 N 1.58 1.17 -0.07 1.87 0.00 -0.86 -1.37 119.26 121.58 1n3r h ALA 161 Ca 0.37 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 1n3r h ALA 161 Cb 0.62 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1n3r h ALA 161 CO -0.51 0.66 -0.68 -0.07 0.00 0.00 0.00 179.25 178.65 1n3r h LEU 162 N 1.24 0.39 -0.45 0.00 3.38 -0.36 -2.16 115.31 117.35 1n3r h LEU 162 Ca 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1n3r h LEU 162 Cb 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1n3r h LEU 162 CO -0.05 0.95 0.20 1.56 0.09 0.00 0.00 178.44 181.20 1n3r h GLN 163 N 0.23 0.65 0.34 1.13 4.20 -0.71 0.21 115.11 121.16 1n3r h GLN 163 Ca -0.02 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1n3r h GLN 163 Cb 1.23 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1n3r h GLN 163 CO 0.11 0.57 -0.22 1.15 -0.67 0.00 0.00 178.83 179.77 1n3r h THR 164 N 0.58 0.54 -0.32 -0.54 2.02 -1.12 0.46 112.91 114.53 1n3r h THR 164 Ca 0.15 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.18 1n3r h THR 164 Cb 0.14 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1n3r h THR 164 CO -0.02 0.00 -0.40 -0.07 0.37 0.00 0.00 175.52 175.40 1n3r h LEU 165 N -0.54 0.83 0.00 2.58 3.38 -1.34 -3.20 115.31 117.01 1n3r h LEU 165 Ca -0.03 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1n3r h LEU 165 Cb 0.46 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1n3r h LEU 165 CO 0.03 1.12 -0.35 -0.07 0.09 0.00 0.00 178.44 179.26 1n3r h LEU 166 N 0.63 0.00 0.84 1.67 3.38 -0.94 -3.48 115.31 117.41 1n3r h LEU 166 Ca 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1n3r h LEU 166 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1n3r h LEU 166 CO 0.09 0.09 -0.23 0.61 0.09 0.00 0.00 178.44 179.09 1n3r n GLY 167 N 1.15 0.08 3.04 0.83 0.00 0.16 -4.64 105.19 105.80 1n3r n GLY 167 Ca 0.02 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.55 -0.00 -1.98 2.61 2.01 -1.01 -4.90 115.64 109.82 1n3r s THR 168 Ca 0.04 0.01 0.29 0.00 0.31 0.00 0.00 61.69 62.34 1n3r s THR 168 Cb -0.02 -0.24 0.60 0.00 0.01 0.00 0.00 72.50 72.86 1n3r s THR 168 CO 0.05 0.00 1.93 0.59 -0.69 0.00 0.00 174.62 176.50 1n3r n ASN 169 N 3.05 0.63 -3.84 3.53 3.02 -1.26 -4.23 115.26 116.17 1n3r n ASN 169 Ca -0.13 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.05 1n3r n ASN 169 Cb 0.59 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 -0.65 4.10 -4.20 6.41 3.02 -1.26 0.40 115.26 123.08 1n3r n ASN 170 Ca 0.18 -2.87 -0.13 0.00 -0.03 0.00 0.00 54.58 51.73 1n3r n ASN 170 Cb 0.25 -1.65 -0.10 0.00 -0.61 0.00 0.00 39.78 37.67 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 3.06 0.97 -0.10 2.41 1.01 -1.23 -2.15 120.40 124.37 1n3r s VAL 171 Ca 0.47 -1.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 1n3r s VAL 171 Cb 0.12 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.95 1n3r s VAL 171 CO -0.06 -0.69 0.24 0.00 0.00 0.00 0.00 175.10 174.59 1n3r s ALA 172 N -3.00 -0.57 0.01 5.51 0.00 0.86 -0.53 121.76 124.06 1n3r s ALA 172 Ca 0.11 0.93 0.05 0.00 0.00 0.00 0.00 51.96 53.05 1n3r s ALA 172 Cb 0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1n3r s ALA 172 CO -0.01 -0.18 -0.15 0.08 0.00 0.00 0.00 175.76 175.50 1n3r s VAL 173 N 1.01 1.21 -0.05 0.00 1.01 -0.42 -0.73 120.40 122.44 1n3r s VAL 173 Ca -0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1n3r s VAL 173 Cb -0.08 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1n3r s VAL 173 CO -0.07 0.19 0.12 -0.55 0.00 0.00 0.00 175.10 174.80 1n3r s SER 174 N -0.75 -0.13 -0.05 3.32 0.15 -0.28 -0.88 113.70 115.09 1n3r s SER 174 Ca 0.04 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.94 1n3r s SER 174 Cb -0.07 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1n3r s SER 174 CO 0.00 -0.05 0.01 -0.63 1.20 0.00 0.00 173.24 173.77 1n3r s ILE 175 N 0.12 0.23 -0.23 6.45 1.01 0.36 -0.80 121.20 128.34 1n3r s ILE 175 Ca -0.00 0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1n3r s ILE 175 Cb -0.01 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1n3r s ILE 175 CO -0.00 0.20 -0.01 -0.62 0.00 0.00 0.00 174.94 174.51 1n3r s ASP 176 N 1.58 4.53 0.04 3.58 2.15 -0.26 -1.13 116.67 127.15 1n3r s ASP 176 Ca -0.02 -0.34 -0.04 0.00 0.43 0.00 0.00 52.55 52.58 1n3r s ASP 176 Cb -0.13 -1.79 -0.02 0.00 -0.30 0.00 0.00 42.92 40.68 1n3r s ASP 176 CO -0.03 -0.02 0.06 0.00 -0.17 0.00 0.00 175.17 175.00 1n3r s ALA 177 N 1.51 0.07 -0.17 3.66 0.00 0.67 -0.76 121.76 126.75 1n3r s ALA 177 Ca 0.06 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 1n3r s ALA 177 Cb -0.14 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1n3r s ALA 177 CO -0.01 -0.31 0.03 0.08 0.00 0.00 0.00 175.76 175.54 1n3r s VAL 178 N -2.75 4.52 -0.36 0.00 1.01 0.82 -0.33 120.40 123.31 1n3r s VAL 178 Ca -0.04 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1n3r s VAL 178 Cb -0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1n3r s VAL 178 CO -0.05 0.49 0.24 -1.00 0.00 0.00 0.00 175.10 174.77 1n3r s HIS 179 N 0.23 3.23 -0.88 5.22 3.76 -1.26 -1.30 115.29 124.28 1n3r s HIS 179 Ca 0.02 -0.50 0.16 0.00 -0.15 0.00 0.00 55.06 54.60 1n3r s HIS 179 Cb -0.13 -2.48 0.69 0.00 1.11 0.00 0.00 32.58 31.77 1n3r s HIS 179 CO 0.01 -0.49 1.51 0.66 -0.85 0.00 0.00 174.74 175.59 1n3r n TYR 180 N 5.08 0.19 0.90 1.40 4.02 -0.52 -0.76 117.16 127.47 1n3r n TYR 180 Ca -0.12 0.08 0.13 0.00 -0.01 0.00 0.00 57.90 57.97 1n3r n TYR 180 Cb 0.48 -0.62 0.56 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.57 1.06 0.01 0.00 0.31 0.06 -4.39 118.33 113.80 1n3r n VAL 182 Ca 0.06 -0.46 -0.22 0.00 -0.01 0.00 0.00 64.34 63.71 1n3r n VAL 182 Cb 0.32 -1.03 -0.14 0.00 -0.91 0.00 0.00 33.84 32.08 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 0.00 0.25 -0.01 5.55 3.64 -0.91 0.66 116.57 125.75 1n3r h LYS 183 Ca -0.41 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.54 1n3r h LYS 183 Cb 1.71 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1n3r h LYS 183 CO -0.04 1.20 -0.15 0.00 -2.27 0.00 0.00 179.45 178.19 1n3r n ALA 184 N -3.01 2.85 -3.63 5.00 0.00 0.11 -3.97 120.51 117.86 1n3r n ALA 184 Ca -0.28 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 52.81 1n3r n ALA 184 Cb 0.95 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.43 0.65 6.47 0.00 3.00 -1.23 -4.95 118.95 120.46 1n3r s ARG 185 Ca 0.29 -0.32 0.00 0.00 -1.00 0.00 0.00 55.73 54.69 1n3r s ARG 185 Cb 0.20 0.24 0.00 0.00 0.00 0.00 0.00 34.95 35.39 1n3r s ARG 185 CO 0.48 -0.29 0.00 0.41 0.00 0.00 0.00 175.30 175.89 1n3r n GLY 186 N -0.36 1.83 0.18 8.12 0.00 -1.26 -2.74 105.19 110.96 1n3r n GLY 186 Ca -0.06 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 0.73 -5.93 -0.61 6.09 -1.85 -3.48 117.51 112.46 1n3r h ILE 187 Ca 0.00 -1.68 -0.37 0.00 -1.37 0.00 0.00 64.86 61.45 1n3r h ILE 187 Cb 0.00 2.10 0.12 0.00 0.47 0.00 0.00 36.82 39.51 1n3r h ILE 187 CO 0.00 0.36 -0.89 0.54 -3.07 0.00 0.00 178.15 175.09 1n3r n ARG 188 N -3.33 -2.33 -3.15 2.19 1.74 -0.73 -4.95 116.66 106.10 1n3r n ARG 188 Ca 0.01 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 1n3r n ARG 188 Cb 0.58 -4.93 -0.07 0.00 -1.02 0.00 0.00 32.46 27.03 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 -3.62 6.39 0.00 0.55 -1.08 0.15 -4.89 116.67 114.16 1n3r s ASP 189 Ca 0.38 0.06 0.26 0.00 -0.52 0.00 0.00 52.55 52.72 1n3r s ASP 189 Cb -0.10 -2.31 0.66 0.00 -1.46 0.00 0.00 42.92 39.72 1n3r s ASP 189 CO 0.81 -0.57 1.52 0.00 0.52 0.00 0.00 175.17 177.45 1n3r n ALA 190 N 5.96 2.52 0.06 3.66 0.00 -1.26 -3.73 120.51 127.71 1n3r n ALA 190 Ca -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 52.86 1n3r n ALA 190 Cb 0.49 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 0.71 0.00 -1.94 0.00 -2.24 -1.26 -5.07 114.28 104.49 1n3r n THR 191 Ca 0.17 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 1n3r n THR 191 Cb 0.46 0.55 0.05 0.00 -2.10 0.00 0.00 70.33 69.29 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 -2.25 5.33 0.06 3.42 1.04 -1.26 -5.10 113.70 114.93 1n3r s SER 192 Ca -0.01 1.04 -0.20 0.00 0.48 0.00 0.00 55.95 57.26 1n3r s SER 192 Cb 0.03 -1.81 0.04 0.00 0.10 0.00 0.00 66.02 64.39 1n3r s SER 192 CO 0.20 -1.39 0.47 0.00 0.98 0.00 0.00 173.24 173.49 1n3r s ALA 193 N -3.35 -1.17 -0.03 5.32 0.00 -1.26 -4.79 121.76 116.47 1n3r s ALA 193 Ca 0.58 0.42 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1n3r s ALA 193 Cb -0.11 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1n3r s ALA 193 CO 0.51 -0.51 -0.15 0.99 0.00 0.00 0.00 175.76 176.60 1n3r s THR 194 N -2.63 2.98 -0.12 0.00 2.01 0.55 -4.93 115.64 113.51 1n3r s THR 194 Ca -0.04 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1n3r s THR 194 Cb -0.00 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.34 1n3r s THR 194 CO -0.03 0.53 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.39 1n3r s THR 195 N -0.77 1.48 0.05 -0.82 2.01 -1.26 -0.24 115.64 116.10 1n3r s THR 195 Ca 0.12 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1n3r s THR 195 Cb -0.11 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1n3r s THR 195 CO 0.02 0.44 -0.22 0.42 -0.69 0.00 0.00 174.62 174.59 1n3r s THR 196 N 1.12 1.74 0.00 -0.82 -4.23 -0.28 -4.97 115.64 108.20 1n3r s THR 196 Ca -0.04 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1n3r s THR 196 Cb -0.14 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 1n3r s THR 196 CO -0.04 0.19 0.00 0.42 -0.54 0.00 0.00 174.62 174.66 1n3r s THR 197 N -0.85 0.04 -0.18 3.99 -4.23 -1.26 -0.49 115.64 112.67 1n3r s THR 197 Ca 0.08 -0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1n3r s THR 197 Cb -0.09 -0.13 0.05 0.00 1.34 0.00 0.00 72.50 73.67 1n3r s THR 197 CO 0.02 -0.20 -0.03 -0.44 -0.54 0.00 0.00 174.62 173.43 1n3r s SER 198 N -0.60 2.97 -0.19 3.99 0.01 -0.06 -5.00 113.70 114.82 1n3r s SER 198 Ca -0.07 -0.76 -0.06 0.00 1.31 0.00 0.00 55.95 56.38 1n3r s SER 198 Cb -0.04 -0.88 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 1n3r s SER 198 CO -0.00 -0.22 0.02 -0.76 0.41 0.00 0.00 173.24 172.69 1n3r s LEU 199 N 1.65 3.42 0.30 2.44 1.43 -1.26 -1.30 118.68 125.36 1n3r s LEU 199 Ca -0.01 -0.12 0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1n3r s LEU 199 Cb -0.16 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 1n3r s LEU 199 CO -0.07 0.10 -0.16 -0.83 0.23 0.00 0.00 176.35 175.62 1n3r s GLY 200 N 0.82 1.98 0.00 -3.19 0.00 0.31 -4.58 107.32 102.66 1n3r s GLY 200 Ca 0.01 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 42.79 1n3r s GLY 200 CO 0.02 -1.98 0.00 0.61 0.00 0.00 0.00 173.10 171.75 1n3r n GLY 201 N -0.67 2.86 0.35 0.20 0.00 0.16 -2.08 105.19 106.02 1n3r n GLY 201 Ca -0.05 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 0.61 -0.77 0.99 3.38 -1.92 -1.56 115.31 116.03 1n3r h LEU 202 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n3r h LEU 202 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1n3r h LEU 202 CO 0.00 0.38 0.15 0.49 0.09 0.00 0.00 178.44 179.55 1n3r n PHE 203 N -4.48 0.39 -0.02 1.13 3.72 -0.88 -0.35 117.46 116.96 1n3r n PHE 203 Ca 0.11 0.21 -0.06 0.00 -0.05 0.00 0.00 57.45 57.65 1n3r n PHE 203 Cb 0.27 -0.72 -0.02 0.00 -0.94 0.00 0.00 39.48 38.07 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 -1.90 0.21 0.21 -1.08 4.81 -0.64 -4.11 118.16 115.66 1n3r n LYS 204 Ca -0.01 0.09 -0.15 0.00 -0.87 0.00 0.00 58.31 57.37 1n3r n LYS 204 Cb 0.17 -0.86 -0.08 0.00 0.02 0.00 0.00 35.03 34.27 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 -0.38 -0.44 -2.84 3.14 4.64 -1.18 -3.41 113.55 113.08 1n3r h SER 205 Ca -0.10 -0.09 -0.56 0.00 -0.47 0.00 0.00 61.79 60.57 1n3r h SER 205 Cb 0.70 0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 1n3r h SER 205 CO -0.06 -0.16 1.19 -0.55 -0.87 0.00 0.00 176.83 176.38 1n3r s SER 206 N -4.88 6.02 0.36 4.97 0.15 0.52 -4.88 113.70 115.96 1n3r s SER 206 Ca -0.15 0.92 0.06 0.00 0.70 0.00 0.00 55.95 57.48 1n3r s SER 206 Cb 0.03 -2.53 0.74 0.00 -1.71 0.00 0.00 66.02 62.54 1n3r s SER 206 CO 0.58 -1.68 1.94 -0.61 1.20 0.00 0.00 173.24 174.68 1n3r h GLN 207 N 12.10 0.74 -0.25 5.44 5.75 -1.81 -2.41 115.11 134.67 1n3r h GLN 207 Ca -0.30 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.05 1n3r h GLN 207 Cb 1.14 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.52 1n3r h GLN 207 CO 1.09 0.49 -0.25 -0.97 -2.65 0.00 0.00 178.83 176.54 1n3r h ASN 208 N 0.77 0.65 -0.60 -0.69 -1.24 -1.92 -3.21 115.58 109.35 1n3r h ASN 208 Ca 0.33 -0.47 -0.07 0.00 0.71 0.00 0.00 56.30 56.80 1n3r h ASN 208 Cb 0.31 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1n3r h ASN 208 CO -0.12 0.99 0.10 0.74 -1.29 0.00 0.00 177.43 177.85 1n3r h THR 209 N 0.32 1.26 -0.22 -3.57 2.02 -1.78 -3.05 112.91 107.90 1n3r h THR 209 Ca 0.04 -0.99 0.05 0.00 0.77 0.00 0.00 66.41 66.28 1n3r h THR 209 Cb 0.81 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.91 1n3r h THR 209 CO 0.06 0.36 -0.14 -0.09 0.37 0.00 0.00 175.52 176.09 1n3r h ARG 210 N 0.89 -0.12 -0.01 6.66 2.43 -1.48 -2.50 114.38 120.24 1n3r h ARG 210 Ca 0.18 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 1n3r h ARG 210 Cb 0.42 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1n3r h ARG 210 CO 0.01 -0.08 -0.53 0.45 -1.51 0.00 0.00 179.97 178.31 1n3r h HIS 211 N -0.13 0.04 -0.76 2.20 3.86 -1.59 0.76 115.15 119.52 1n3r h HIS 211 Ca 0.12 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 1n3r h HIS 211 Cb 0.31 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 1n3r h HIS 211 CO -0.30 0.55 0.50 0.93 0.86 0.00 0.00 177.93 180.48 1n3r h GLU 212 N 0.03 0.96 0.06 2.45 5.08 -1.34 0.22 114.58 122.03 1n3r h GLU 212 Ca -0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n3r h GLU 212 Cb 0.94 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1n3r h GLU 212 CO 0.07 0.64 -0.03 0.35 -1.00 0.00 0.00 179.01 179.04 1n3r h PHE 213 N 0.99 -0.07 -0.98 4.33 3.57 -1.11 -3.30 116.94 120.38 1n3r h PHE 213 Ca 0.29 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 62.01 1n3r h PHE 213 Cb -0.05 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 1n3r h PHE 213 CO -0.00 -0.04 0.63 -0.07 -2.23 0.00 0.00 178.31 176.60 1n3r h LEU 214 N -0.93 0.49 -0.97 0.59 3.38 -0.82 -1.48 115.31 115.56 1n3r h LEU 214 Ca -0.01 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1n3r h LEU 214 Cb 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1n3r h LEU 214 CO 0.01 0.15 -0.06 -0.09 0.09 0.00 0.00 178.44 178.55 1n3r h ARG 215 N 0.46 0.68 -2.61 1.13 2.43 -1.09 -3.29 114.38 112.08 1n3r h ARG 215 Ca 0.54 -0.19 -0.54 0.00 -0.81 0.00 0.00 59.98 58.98 1n3r h ARG 215 Cb 1.26 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1n3r h ARG 215 CO -0.25 0.74 2.30 0.00 -1.51 0.00 0.00 179.97 181.24 1n3r n ALA 216 N -2.48 7.09 -2.83 2.80 0.00 -0.56 -4.88 120.51 119.65 1n3r n ALA 216 Ca 0.02 -3.10 -0.10 0.00 0.00 0.00 0.00 53.44 50.26 1n3r n ALA 216 Cb 0.31 -2.93 -0.10 0.00 0.00 0.00 0.00 19.45 16.73 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 1.16 0.12 0.00 0.00 1.01 -1.24 -5.04 120.40 116.41 1n3r s VAL 217 Ca 0.67 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1n3r s VAL 217 Cb 0.23 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1n3r s VAL 217 CO -0.06 -0.54 0.00 -1.14 0.00 0.00 0.00 175.10 173.36 1n3r n ARG 218 N 0.97 0.00 -3.63 2.72 0.00 -1.26 -5.16 116.66 110.30 1n3r n ARG 218 Ca -0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.55 1n3r n ARG 218 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.97 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 0.00 -0.51 -1.48 -0.14 3.76 -1.26 -5.17 115.29 110.49 1n3r s HIS 219 Ca 0.00 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.11 1n3r s HIS 219 Cb 0.00 0.36 0.00 0.00 1.11 0.00 0.00 32.58 34.05 1n3r s HIS 219 CO 0.00 -0.27 0.00 -2.39 -0.85 0.00 0.00 174.74 171.23 1n3r n HIS 220 N 2.07 0.00 0.00 1.40 1.44 -1.26 -4.86 115.22 114.01 1n3r n HIS 220 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1n3r n HIS 220 Cb 0.56 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.67 1n3r n HIS 220 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62