#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 -1.88 3.54 2.88 -1.26 -5.14 113.62 111.77 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 0.00 0.00 -4.03 2.46 4.77 -1.26 -4.66 117.00 114.28 1n3r n LEU 3 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1n3r n LEU 3 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1n3r n LEU 3 CO 0.00 -0.40 -0.41 -0.44 -1.33 0.00 0.00 177.39 174.81 1n3r s SER 4 N -1.00 0.84 0.23 -1.43 0.01 -1.26 -4.99 113.70 106.10 1n3r s SER 4 Ca 0.00 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 1n3r s SER 4 Cb 0.00 -0.01 0.40 0.00 0.21 0.00 0.00 66.02 66.62 1n3r s SER 4 CO 0.00 -0.10 1.72 0.11 0.41 0.00 0.00 173.24 175.39 1n3r h LYS 5 N 5.04 0.37 -0.18 12.44 1.57 -2.00 -0.09 116.57 133.72 1n3r h LYS 5 Ca -0.33 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1n3r h LYS 5 Cb 1.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1n3r h LYS 5 CO 0.44 0.25 0.01 0.93 -0.57 0.00 0.00 179.45 180.51 1n3r h GLU 6 N 0.38 0.31 -0.61 3.15 3.07 -1.98 -1.82 114.58 117.08 1n3r h GLU 6 Ca 0.38 -0.10 0.13 0.00 -0.50 0.00 0.00 59.36 59.27 1n3r h GLU 6 Cb 0.57 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.34 1n3r h GLU 6 CO -0.40 0.51 -0.06 0.00 -1.40 0.00 0.00 179.01 177.66 1n3r h ALA 7 N 0.79 0.52 0.46 3.43 0.00 -1.51 0.10 119.26 123.04 1n3r h ALA 7 Ca 0.05 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1n3r h ALA 7 Cb 0.36 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n3r h ALA 7 CO 0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 179.25 178.63 1n3r h ALA 8 N 1.58 -1.00 -0.96 0.00 0.00 -0.98 -0.08 119.26 117.83 1n3r h ALA 8 Ca 0.31 -0.13 0.29 0.00 0.00 0.00 0.00 54.91 55.38 1n3r h ALA 8 Cb 0.49 0.24 -0.17 0.00 0.00 0.00 0.00 17.79 18.35 1n3r h ALA 8 CO -0.57 -0.95 0.20 -0.07 0.00 0.00 0.00 179.25 177.86 1n3r h LEU 9 N -0.70 -0.17 -0.00 0.00 3.38 -1.05 0.51 115.31 117.27 1n3r h LEU 9 Ca -0.06 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1n3r h LEU 9 Cb 0.47 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1n3r h LEU 9 CO 0.10 -0.31 0.00 0.58 0.09 0.00 0.00 178.44 178.90 1n3r h VAL 10 N 0.07 1.23 -0.15 1.22 2.07 -0.73 0.14 116.25 120.10 1n3r h VAL 10 Ca 0.64 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1n3r h VAL 10 Cb 1.41 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1n3r h VAL 10 CO -0.81 0.18 -0.03 -0.74 0.02 0.00 0.00 177.57 176.18 1n3r h HIS 11 N -0.28 -0.07 -0.77 1.57 -0.00 0.17 0.19 115.15 115.97 1n3r h HIS 11 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 1n3r h HIS 11 Cb 0.29 0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.72 1n3r h HIS 11 CO 0.02 -0.06 0.40 0.93 -0.00 0.00 0.00 177.93 179.23 1n3r h GLU 12 N 0.01 1.08 -0.68 5.26 5.08 -0.18 -1.68 114.58 123.45 1n3r h GLU 12 Ca 0.07 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1n3r h GLU 12 Cb 0.10 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1n3r h GLU 12 CO -0.15 0.80 0.27 0.00 -1.00 0.00 0.00 179.01 178.93 1n3r h ALA 13 N 1.36 0.89 -0.15 3.43 0.00 0.17 0.60 119.26 125.57 1n3r h ALA 13 Ca 0.27 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1n3r h ALA 13 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1n3r h ALA 13 CO -0.04 0.52 -0.27 -0.07 0.00 0.00 0.00 179.25 179.38 1n3r h LEU 14 N 0.98 0.49 -0.70 0.00 3.38 -0.74 -3.13 115.31 115.60 1n3r h LEU 14 Ca 0.23 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1n3r h LEU 14 Cb 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1n3r h LEU 14 CO -0.02 0.95 0.45 0.58 0.09 0.00 0.00 178.44 180.50 1n3r h VAL 15 N 0.06 1.18 0.00 1.22 2.07 -1.22 0.18 116.25 119.74 1n3r h VAL 15 Ca 0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1n3r h VAL 15 Cb 0.86 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1n3r h VAL 15 CO 0.06 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1n3r n ALA 16 N -2.30 1.01 0.10 1.67 0.00 0.19 -0.60 120.51 120.59 1n3r n ALA 16 Ca 0.06 -0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1n3r n ALA 16 Cb 0.02 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.48 1n3r n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1n3r n ARG 17 N -1.50 0.18 -3.15 0.00 3.00 0.45 -4.99 116.66 110.65 1n3r n ARG 17 Ca 0.00 -0.57 -0.14 0.00 -0.00 0.00 0.00 57.85 57.14 1n3r n ARG 17 Cb 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 32.46 31.54 1n3r n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1n3r n GLY 18 N 0.25 -0.19 0.00 5.14 0.00 0.23 -4.92 105.19 105.70 1n3r n GLY 18 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.52 0.00 -4.67 0.99 4.77 -0.17 -5.01 117.00 109.39 1n3r n LEU 19 Ca -0.21 -0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.37 1n3r n LEU 19 Cb 0.63 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.79 1n3r n LEU 19 CO 0.48 0.00 0.71 1.21 -1.33 0.00 0.00 177.39 178.46 1n3r n GLU 20 N -1.05 0.83 -1.81 3.23 0.00 -1.23 -4.87 120.64 115.75 1n3r n GLU 20 Ca 0.00 0.34 -0.41 0.00 0.00 0.00 0.00 57.16 57.08 1n3r n GLU 20 Cb 0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 31.44 29.07 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 -1.58 2.13 -0.67 6.31 2.01 -1.26 -4.82 115.64 117.76 1n3r s THR 21 Ca 0.78 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.61 1n3r s THR 21 Cb -0.37 -3.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.94 1n3r s THR 21 CO 0.45 0.02 2.51 -2.65 -0.69 0.00 0.00 174.62 174.25 1n3r n PRO 22 N 2.06 0.66 -4.45 4.92 -0.02 -1.26 -4.92 135.00 131.99 1n3r n PRO 22 Ca 0.07 0.02 -0.22 0.00 -2.02 0.00 0.00 63.50 61.35 1n3r n PRO 22 Cb 0.38 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.10 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 10.69 2.53 -0.06 2.45 1.02 -1.26 -5.15 118.68 128.90 1n3r s LEU 23 Ca 1.13 -1.20 0.05 0.00 0.02 0.00 0.00 54.13 54.13 1n3r s LEU 23 Cb -0.63 -0.71 -0.00 0.00 0.02 0.00 0.00 46.19 44.87 1n3r s LEU 23 CO 0.36 -0.32 -0.20 -0.60 0.02 0.00 0.00 176.35 175.61 1n3r s ARG 24 N -3.71 2.17 -0.26 1.70 3.52 -1.26 -5.09 118.95 116.02 1n3r s ARG 24 Ca 0.30 -0.72 -0.37 0.00 -0.13 0.00 0.00 55.73 54.81 1n3r s ARG 24 Cb 0.04 -1.82 -0.13 0.00 -1.56 0.00 0.00 34.95 31.47 1n3r s ARG 24 CO 0.13 0.26 1.92 -2.30 -0.81 0.00 0.00 175.30 174.51 1n3r n PRO 25 N 3.17 1.37 0.23 5.12 -0.02 -1.26 -4.80 135.00 138.81 1n3r n PRO 25 Ca -0.18 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1n3r n PRO 25 Cb 0.53 -2.34 0.21 0.00 -0.02 0.00 0.00 33.50 31.88 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 9.33 0.00 0.00 0.52 0.11 -2.06 -3.45 132.00 136.45 1n3r h PRO 26 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1n3r h PRO 26 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1n3r h PRO 26 CO 0.98 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 179.05 1n3r n VAL 27 N -2.19 0.00 -2.80 3.15 0.31 -1.26 -4.59 118.33 110.95 1n3r n VAL 27 Ca -0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.02 1n3r n VAL 27 Cb 0.66 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.56 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 3.47 -0.61 3.52 -3.43 -1.26 -4.99 115.29 111.99 1n3r s HIS 28 Ca 0.00 1.07 -0.27 0.00 -0.80 0.00 0.00 55.06 55.05 1n3r s HIS 28 Cb 0.00 -2.46 0.01 0.00 -1.43 0.00 0.00 32.58 28.70 1n3r s HIS 28 CO 0.00 -0.14 1.48 -1.21 -2.00 0.00 0.00 174.74 172.87 1n3r s GLU 29 N -3.92 3.14 -0.26 -0.38 2.02 -1.26 -4.97 118.70 113.08 1n3r s GLU 29 Ca 0.52 0.33 -0.16 0.00 0.02 0.00 0.00 54.97 55.68 1n3r s GLU 29 Cb -0.10 -4.19 -0.03 0.00 0.10 0.00 0.00 34.13 29.90 1n3r s GLU 29 CO 0.32 -2.14 0.41 1.41 0.02 0.00 0.00 175.26 175.28 1n3r s MET 30 N 5.87 4.06 0.52 1.61 -2.45 -1.26 -5.04 119.30 122.60 1n3r s MET 30 Ca 0.51 0.14 -0.20 0.00 -1.25 0.00 0.00 55.69 54.89 1n3r s MET 30 Cb -0.11 -3.63 -0.10 0.00 1.25 0.00 0.00 34.83 32.24 1n3r s MET 30 CO 0.22 -0.26 0.60 -3.47 1.05 0.00 0.00 175.02 173.16 1n3r n ASP 31 N 5.24 -0.68 0.08 1.11 2.03 -1.26 -4.81 116.55 118.26 1n3r n ASP 31 Ca -0.07 0.81 -0.09 0.00 0.52 0.00 0.00 54.79 55.96 1n3r n ASP 31 Cb 0.51 -1.19 0.01 0.00 -0.72 0.00 0.00 41.12 39.73 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 0.52 0.33 0.12 1.67 -1.24 -1.99 -1.92 115.58 113.07 1n3r h ASN 32 Ca -0.44 -0.25 -0.13 0.00 0.71 0.00 0.00 56.30 56.19 1n3r h ASN 32 Cb 1.39 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.33 1n3r h ASN 32 CO 0.49 1.02 -0.46 -0.33 -1.29 0.00 0.00 177.43 176.87 1n3r h GLU 33 N 0.16 0.41 0.65 6.67 5.08 -2.00 -2.72 114.58 122.83 1n3r h GLU 33 Ca -0.04 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1n3r h GLU 33 Cb 1.43 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.70 1n3r h GLU 33 CO 0.13 0.78 -0.31 1.15 -1.00 0.00 0.00 179.01 179.76 1n3r h THR 34 N 0.33 0.18 -0.98 1.13 2.02 -1.90 -2.45 112.91 111.24 1n3r h THR 34 Ca 0.02 -0.30 0.25 0.00 0.77 0.00 0.00 66.41 67.16 1n3r h THR 34 Cb 0.93 0.23 -0.13 0.00 -1.74 0.00 0.00 68.15 67.45 1n3r h THR 34 CO 0.08 0.02 0.54 0.03 0.37 0.00 0.00 175.52 176.56 1n3r h ARG 35 N -1.13 0.48 -0.33 6.66 3.08 -1.32 0.25 114.38 122.07 1n3r h ARG 35 Ca -0.09 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1n3r h ARG 35 Cb 0.71 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1n3r h ARG 35 CO 0.15 0.32 -0.10 0.87 -1.07 0.00 0.00 179.97 180.14 1n3r h LYS 36 N 0.50 0.66 -0.20 0.04 1.57 -1.46 0.25 116.57 117.93 1n3r h LYS 36 Ca 0.64 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 59.05 1n3r h LYS 36 Cb 1.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1n3r h LYS 36 CO -0.51 0.84 -0.32 0.66 -0.57 0.00 0.00 179.45 179.55 1n3r h SER 37 N 0.44 0.42 -0.70 0.86 4.64 -0.51 0.48 113.55 119.18 1n3r h SER 37 Ca 0.08 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.17 1n3r h SER 37 Cb 0.61 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1n3r h SER 37 CO 0.04 0.72 0.14 -0.07 -0.87 0.00 0.00 176.83 176.79 1n3r h LEU 38 N 0.35 1.08 -0.12 5.97 3.38 -0.33 -1.67 115.31 123.97 1n3r h LEU 38 Ca 0.04 -0.25 -0.23 0.00 0.09 0.00 0.00 57.88 57.53 1n3r h LEU 38 Cb 0.74 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1n3r h LEU 38 CO 0.06 1.05 -0.85 0.40 0.09 0.00 0.00 178.44 179.19 1n3r h ILE 39 N 1.06 1.28 -0.02 1.22 2.04 -0.46 -2.71 117.51 119.92 1n3r h ILE 39 Ca 0.22 -2.04 0.01 0.00 1.00 0.00 0.00 64.86 64.04 1n3r h ILE 39 Cb 0.41 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1n3r h ILE 39 CO 0.01 0.64 0.03 0.00 0.00 0.00 0.00 178.15 178.83 1n3r h ALA 40 N 0.52 1.52 0.04 1.87 0.00 0.19 -1.64 119.26 121.76 1n3r h ALA 40 Ca -0.07 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1n3r h ALA 40 Cb 1.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1n3r h ALA 40 CO 0.17 -0.04 -0.32 0.78 0.00 0.00 0.00 179.25 179.84 1n3r h GLY 41 N 0.00 0.18 1.41 0.00 0.00 -1.11 -1.80 103.07 101.75 1n3r h GLY 41 Ca 0.01 -0.38 0.06 0.00 0.00 0.00 0.00 47.33 47.02 1n3r h GLY 41 CO -0.00 0.33 0.25 0.45 0.00 0.00 0.00 176.54 177.58 1n3r h HIS 42 N -0.61 0.23 -0.05 5.60 -0.00 -1.03 -0.63 115.15 118.67 1n3r h HIS 42 Ca -0.05 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.17 1n3r h HIS 42 Cb 1.17 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 28.51 1n3r h HIS 42 CO 0.21 0.13 -0.56 0.52 -0.00 0.00 0.00 177.93 178.23 1n3r h MET 43 N 0.23 0.47 -1.00 2.45 2.86 -1.36 -1.88 114.93 116.69 1n3r h MET 43 Ca 0.17 -0.44 0.20 0.00 -2.06 0.00 0.00 59.70 57.57 1n3r h MET 43 Cb 0.36 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 32.02 1n3r h MET 43 CO -0.03 1.08 0.61 1.15 1.06 0.00 0.00 176.91 180.78 1n3r h THR 44 N 0.01 0.66 -0.22 2.22 2.02 -0.25 0.20 112.91 117.56 1n3r h THR 44 Ca -0.06 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1n3r h THR 44 Cb 1.24 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1n3r h THR 44 CO 0.11 0.13 -0.09 -0.33 0.37 0.00 0.00 175.52 175.71 1n3r h GLU 45 N 0.71 0.45 -0.03 6.66 4.39 -1.06 -2.43 114.58 123.27 1n3r h GLU 45 Ca 0.59 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1n3r h GLU 45 Cb 0.99 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1n3r h GLU 45 CO -0.40 0.72 0.02 0.82 -1.16 0.00 0.00 179.01 179.00 1n3r h ILE 46 N 0.16 1.04 -0.61 3.13 2.04 -0.06 0.75 117.51 123.97 1n3r h ILE 46 Ca 0.05 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1n3r h ILE 46 Cb 0.57 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1n3r h ILE 46 CO 0.03 0.04 0.33 0.24 0.00 0.00 0.00 178.15 178.79 1n3r h MET 47 N -0.01 0.61 -0.06 2.37 2.86 -0.75 0.44 114.93 120.39 1n3r h MET 47 Ca 0.01 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1n3r h MET 47 Cb 0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1n3r h MET 47 CO -0.00 0.41 -0.18 1.96 1.06 0.00 0.00 176.91 180.15 1n3r h GLN 48 N 0.63 0.10 0.00 1.72 4.20 -1.06 0.12 115.11 120.82 1n3r h GLN 48 Ca 0.27 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1n3r h GLN 48 Cb 0.15 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1n3r h GLN 48 CO -0.16 0.29 0.00 1.28 -0.67 0.00 0.00 178.83 179.56 1n3r n LEU 49 N -4.27 0.00 -0.32 1.46 4.77 0.22 -1.62 117.00 117.25 1n3r n LEU 49 Ca -0.02 0.18 0.05 0.00 -0.03 0.00 0.00 56.01 56.20 1n3r n LEU 49 Cb 0.28 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1n3r n LEU 49 CO 0.37 -0.06 0.30 0.18 -1.33 0.00 0.00 177.39 176.86 1n3r n LEU 50 N -1.18 1.51 -1.28 2.23 4.77 -0.02 -4.99 117.00 118.05 1n3r n LEU 50 Ca 0.12 -0.87 -0.05 0.00 -0.03 0.00 0.00 56.01 55.18 1n3r n LEU 50 Cb 0.13 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1n3r n LEU 50 CO 0.15 0.30 0.05 0.59 -1.33 0.00 0.00 177.39 177.14 1n3r n ASN 51 N 0.12 -2.77 -4.73 -1.43 3.02 -0.64 -5.04 115.26 103.79 1n3r n ASN 51 Ca 0.05 -0.13 -0.36 0.00 -0.03 0.00 0.00 54.58 54.11 1n3r n ASN 51 Cb 0.24 -1.53 -0.07 0.00 -0.61 0.00 0.00 39.78 37.81 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 -2.55 4.25 -1.17 3.41 1.43 -0.93 -5.01 118.68 118.11 1n3r s LEU 52 Ca 0.10 0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 53.48 1n3r s LEU 52 Cb -0.05 -2.34 0.05 0.00 0.03 0.00 0.00 46.19 43.88 1n3r s LEU 52 CO 0.16 0.12 1.65 -0.62 0.23 0.00 0.00 176.35 177.89 1n3r s ASP 53 N 0.37 6.53 0.00 2.29 2.15 -1.26 -4.56 116.67 122.20 1n3r s ASP 53 Ca 0.16 -1.94 0.05 0.00 0.43 0.00 0.00 52.55 51.25 1n3r s ASP 53 Cb -0.13 -2.58 0.27 0.00 -0.30 0.00 0.00 42.92 40.18 1n3r s ASP 53 CO 0.03 -1.48 1.00 0.18 -0.17 0.00 0.00 175.17 174.73 1n3r n LEU 54 N 9.18 0.00 0.16 -1.34 4.77 -1.26 -0.68 117.00 127.83 1n3r n LEU 54 Ca 0.42 0.27 0.01 0.00 -0.03 0.00 0.00 56.01 56.69 1n3r n LEU 54 Cb 0.48 -0.27 0.27 0.00 -2.33 0.00 0.00 43.42 41.56 1n3r n LEU 54 CO 0.71 -0.23 0.60 0.00 -1.33 0.00 0.00 177.39 177.15 1n3r h ALA 55 N 2.25 1.10 -2.50 -1.18 0.00 -1.96 -3.32 119.26 113.65 1n3r h ALA 55 Ca 0.00 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 1n3r h ALA 55 Cb 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.79 1n3r h ALA 55 CO 0.00 0.62 0.98 0.34 0.00 0.00 0.00 179.25 181.19 1n3r s ASP 56 N -6.78 6.57 0.00 0.00 2.15 0.15 -4.83 116.67 113.93 1n3r s ASP 56 Ca -0.01 2.57 0.00 0.00 0.43 0.00 0.00 52.55 55.53 1n3r s ASP 56 Cb 0.13 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1n3r s ASP 56 CO 0.73 -0.89 0.52 -0.90 -0.17 0.00 0.00 175.17 174.46 1n3r n ASP 57 N 5.14 0.00 -0.03 -0.34 5.75 -1.26 -2.45 116.55 123.36 1n3r n ASP 57 Ca 0.16 0.13 -0.02 0.00 -0.01 0.00 0.00 54.79 55.05 1n3r n ASP 57 Cb 0.39 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 40.35 1n3r n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1n3r n SER 58 N -1.02 0.69 0.17 -1.12 2.88 -1.26 -4.48 113.62 109.48 1n3r n SER 58 Ca 0.00 0.36 0.13 0.00 -1.33 0.00 0.00 58.87 58.03 1n3r n SER 58 Cb 0.11 -0.64 0.56 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.38 0.00 -0.91 2.46 3.38 -1.81 -3.28 115.31 114.77 1n3r h LEU 59 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 1n3r h LEU 59 Cb 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 1n3r h LEU 59 CO 0.00 0.00 0.41 -0.03 0.09 0.00 0.00 178.44 178.91 1n3r h MET 60 N 0.00 0.40 -0.02 1.13 4.05 -1.58 -0.60 114.93 118.31 1n3r h MET 60 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1n3r h MET 60 Cb 0.31 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1n3r h MET 60 CO 0.00 0.26 -0.08 0.39 0.23 0.00 0.00 176.91 177.71 1n3r n GLU 61 N -5.03 1.95 -0.01 0.39 -0.58 -1.24 -4.49 120.64 111.64 1n3r n GLU 61 Ca 0.23 -1.52 -0.11 0.00 -0.42 0.00 0.00 57.16 55.34 1n3r n GLU 61 Cb 0.67 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 30.02 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 3.71 1.05 -0.70 2.62 2.02 -1.28 -1.08 112.91 119.25 1n3r h THR 62 Ca 0.00 -0.12 0.12 0.00 0.77 0.00 0.00 66.41 67.18 1n3r h THR 62 Cb 0.84 0.94 -0.08 0.00 -1.74 0.00 0.00 68.15 68.11 1n3r h THR 62 CO 0.00 0.04 0.28 -0.65 0.37 0.00 0.00 175.52 175.57 1n3r h PRO 63 N 0.11 0.45 -0.20 6.66 0.11 -1.79 0.37 132.00 137.71 1n3r h PRO 63 Ca 0.04 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.05 1n3r h PRO 63 Cb 0.02 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1n3r h PRO 63 CO -0.01 0.30 -0.16 1.25 -0.21 0.00 0.00 178.00 179.17 1n3r h HIS 64 N 0.46 0.37 0.30 0.65 -0.00 -1.77 -2.42 115.15 112.73 1n3r h HIS 64 Ca 0.37 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.67 1n3r h HIS 64 Cb 0.50 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 1n3r h HIS 64 CO -0.16 0.50 -0.14 0.00 -0.00 0.00 0.00 177.93 178.13 1n3r h ARG 65 N 0.32 -0.39 -0.71 5.26 3.08 0.52 -2.77 114.38 119.69 1n3r h ARG 65 Ca 0.06 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.28 1n3r h ARG 65 Cb 0.48 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 1n3r h ARG 65 CO 0.03 -0.05 0.48 0.82 -1.07 0.00 0.00 179.97 180.18 1n3r h ILE 66 N -0.89 0.81 -0.14 2.04 2.04 -0.35 0.25 117.51 121.27 1n3r h ILE 66 Ca -0.04 -0.13 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 1n3r h ILE 66 Cb 0.52 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1n3r h ILE 66 CO 0.07 0.07 -0.47 0.00 0.00 0.00 0.00 178.15 177.81 1n3r h ALA 67 N 1.66 0.24 -0.40 1.87 0.00 -1.48 -1.80 119.26 119.34 1n3r h ALA 67 Ca 0.35 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1n3r h ALA 67 Cb 0.81 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1n3r h ALA 67 CO -0.10 0.40 0.01 -0.22 0.00 0.00 0.00 179.25 179.34 1n3r h LYS 68 N 0.19 0.63 -0.64 0.00 3.11 -0.89 -0.63 116.57 118.34 1n3r h LYS 68 Ca -0.02 -0.14 -0.06 0.00 -2.81 0.00 0.00 60.65 57.61 1n3r h LYS 68 Cb 1.10 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 1n3r h LYS 68 CO 0.10 0.64 0.16 1.98 -2.81 0.00 0.00 179.45 179.52 1n3r h MET 69 N 0.60 1.03 -0.09 1.90 4.05 -0.47 -1.50 114.93 120.46 1n3r h MET 69 Ca 0.13 -0.25 -0.12 0.00 -0.28 0.00 0.00 59.70 59.18 1n3r h MET 69 Cb 0.36 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1n3r h MET 69 CO 0.01 0.93 -0.50 1.88 0.23 0.00 0.00 176.91 179.46 1n3r h TYR 70 N 0.95 0.27 0.02 1.39 0.05 -0.41 -1.64 116.97 117.60 1n3r h TYR 70 Ca 0.20 -0.09 -0.30 0.00 0.05 0.00 0.00 58.73 58.60 1n3r h TYR 70 Cb 0.36 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 1n3r h TYR 70 CO 0.03 0.68 -1.64 0.28 -1.05 0.00 0.00 178.16 176.45 1n3r n VAL 71 N -3.96 1.57 0.01 -2.88 0.31 -0.33 -4.03 118.33 109.03 1n3r n VAL 71 Ca -0.02 -0.21 0.03 0.00 -0.01 0.00 0.00 64.34 64.14 1n3r n VAL 71 Cb 0.54 -1.94 -0.11 0.00 -0.91 0.00 0.00 33.84 31.42 1n3r n VAL 71 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n3r n ASP 72 N -4.20 0.45 0.00 4.52 8.00 -0.58 -4.19 116.55 120.55 1n3r n ASP 72 Ca -0.36 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1n3r n ASP 72 Cb 0.79 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 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 -2.64 0.00 0.00 -1.24 1.02 -1.06 -4.38 120.64 112.34 1n3r n GLU 73 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1n3r n GLU 73 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 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 0.00 -0.72 -3.67 -5.35 -0.64 -1.22 119.36 107.77 1n3r n ILE 74 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1n3r n ILE 74 Cb 0.00 -0.91 0.00 0.00 -1.74 0.00 0.00 39.64 36.99 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 -0.91 0.00 0.19 4.28 3.72 -1.23 -2.88 117.46 120.62 1n3r n PHE 75 Ca 0.00 -0.04 0.06 0.00 -0.05 0.00 0.00 57.45 57.42 1n3r n PHE 75 Cb 0.00 -0.00 0.35 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.16 4.37 4.64 -1.19 0.39 113.55 121.92 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 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1n3r h SER 76 CO 0.00 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.56 1n3r n GLY 77 N -1.27 -1.03 0.09 -0.77 0.00 -0.13 -3.27 105.19 98.81 1n3r n GLY 77 Ca -0.01 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.12 0.00 -8.16 0.99 3.38 -0.34 -3.43 115.31 107.87 1n3r h LEU 78 Ca 0.00 -0.14 -0.69 0.00 0.09 0.00 0.00 57.88 57.15 1n3r h LEU 78 Cb 0.11 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.56 1n3r h LEU 78 CO 0.00 0.07 -0.66 -0.62 0.09 0.00 0.00 178.44 177.32 1n3r s ASP 79 N -4.61 5.00 0.00 -0.43 2.15 -1.20 -4.97 116.67 112.62 1n3r s ASP 79 Ca 0.05 -1.09 0.03 0.00 0.43 0.00 0.00 52.55 51.98 1n3r s ASP 79 Cb 0.12 -1.79 0.19 0.00 -0.30 0.00 0.00 42.92 41.14 1n3r s ASP 79 CO 0.72 -0.26 0.55 -1.22 -0.17 0.00 0.00 175.17 174.79 1n3r n TYR 80 N 4.73 0.00 0.43 -5.34 4.02 -1.26 -0.84 117.16 118.90 1n3r n TYR 80 Ca -0.14 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.89 1n3r n TYR 80 Cb 0.45 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 40.24 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 1.95 1.00 -0.33 -0.72 0.00 -1.91 -2.52 119.26 116.73 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 -2.45 3.36 -4.72 0.00 3.02 -0.02 -4.96 115.26 109.50 1n3r n ASN 82 Ca 0.03 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1n3r n ASN 82 Cb 0.32 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.26 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 1.44 2.78 -1.75 3.10 7.35 -0.95 -4.90 117.46 124.53 1n3r n PHE 83 Ca 0.18 0.07 -0.39 0.00 -0.76 0.00 0.00 57.45 56.55 1n3r n PHE 83 Cb 0.59 -2.66 0.03 0.00 0.35 0.00 0.00 39.48 37.79 1n3r n PHE 83 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1n3r n PRO 84 N 3.66 1.92 -1.91 -7.13 -0.04 -1.26 -4.92 135.00 125.31 1n3r n PRO 84 Ca 0.15 0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 63.88 1n3r n PRO 84 Cb 0.35 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1n3r n PRO 84 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1n3r s LYS 85 N -2.70 4.20 -0.23 0.54 1.02 -1.26 -4.97 119.74 116.34 1n3r s LYS 85 Ca 0.67 2.37 -0.07 0.00 0.02 0.00 0.00 55.97 58.96 1n3r s LYS 85 Cb -0.43 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 1n3r s LYS 85 CO 0.53 -0.67 0.05 0.42 -0.92 0.00 0.00 175.35 174.76 1n3r s ILE 86 N 1.82 4.29 -0.09 2.17 -1.09 -1.26 -4.96 121.20 122.08 1n3r s ILE 86 Ca 0.72 -0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.99 1n3r s ILE 86 Cb -0.42 -2.98 0.01 0.00 -1.58 0.00 0.00 42.46 37.48 1n3r s ILE 86 CO 0.32 0.37 -0.19 0.42 -1.23 0.00 0.00 174.94 174.63 1n3r s THR 87 N 1.33 1.70 0.41 2.92 -4.23 -1.26 -5.10 115.64 111.41 1n3r s THR 87 Ca 0.05 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.82 1n3r s THR 87 Cb -0.15 -1.50 -0.07 0.00 1.34 0.00 0.00 72.50 72.12 1n3r s THR 87 CO 0.03 0.48 0.06 -0.76 -0.54 0.00 0.00 174.62 173.89 1n3r s LEU 88 N 0.53 2.95 -0.00 4.79 1.43 -1.26 -2.64 118.68 124.47 1n3r s LEU 88 Ca -0.16 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 51.67 1n3r s LEU 88 Cb -0.17 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 1n3r s LEU 88 CO 0.06 -0.47 -0.04 0.27 0.23 0.00 0.00 176.35 176.40 1n3r s ILE 89 N -2.67 0.31 0.22 -0.59 -4.36 -0.95 -4.97 121.20 108.19 1n3r s ILE 89 Ca 0.37 -0.16 -0.32 0.00 -0.26 0.00 0.00 60.65 60.28 1n3r s ILE 89 Cb 0.08 -0.28 -0.12 0.00 1.25 0.00 0.00 42.46 43.39 1n3r s ILE 89 CO 0.19 0.09 1.69 1.21 0.24 0.00 0.00 174.94 178.37 1n3r n GLU 90 N 3.05 2.72 -1.04 0.37 2.13 -1.26 -0.85 120.64 125.76 1n3r n GLU 90 Ca -0.14 0.98 -0.34 0.00 0.66 0.00 0.00 57.16 58.32 1n3r n GLU 90 Cb 0.58 -2.81 -0.03 0.00 0.27 0.00 0.00 31.44 29.45 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 3.59 3.94 0.00 4.31 5.15 -1.18 -4.59 115.26 126.49 1n3r n ASN 91 Ca 0.15 -2.54 0.08 0.00 -0.60 0.00 0.00 54.58 51.67 1n3r n ASN 91 Cb 0.35 -1.18 0.43 0.00 -0.53 0.00 0.00 39.78 38.85 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 5.60 0.25 -0.22 1.20 5.02 -1.26 -1.73 118.16 127.02 1n3r n LYS 92 Ca 0.49 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 57.02 1n3r n LYS 92 Cb 0.28 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.27 2.51 -4.10 1.97 2.81 -1.26 -4.97 117.12 112.81 1n3r n MET 93 Ca 0.08 -2.32 -0.34 0.00 -1.81 0.00 0.00 57.70 53.31 1n3r n MET 93 Cb 0.13 -1.51 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 1n3r n MET 93 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1n3r n LYS 94 N 1.46 -2.16 -1.56 0.03 3.00 -0.71 -4.79 118.16 113.42 1n3r n LYS 94 Ca 0.20 0.26 -0.38 0.00 -0.00 0.00 0.00 58.31 58.38 1n3r n LYS 94 Cb 0.59 -4.90 -0.03 0.00 0.00 0.00 0.00 35.03 30.69 1n3r n LYS 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1n3r n VAL 95 N -4.03 0.04 0.15 3.15 0.31 -1.26 -4.77 118.33 111.92 1n3r n VAL 95 Ca 0.08 -0.71 0.11 0.00 -0.01 0.00 0.00 64.34 63.81 1n3r n VAL 95 Cb 0.48 -2.74 0.21 0.00 -0.91 0.00 0.00 33.84 30.88 1n3r n VAL 95 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n3r n ASP 96 N 14.76 3.39 -4.75 4.52 5.75 -1.26 -3.95 116.55 135.01 1n3r n ASP 96 Ca 0.35 -1.96 -0.22 0.00 -0.01 0.00 0.00 54.79 52.95 1n3r n ASP 96 Cb 0.52 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.28 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 -1.31 2.64 0.76 0.11 0.41 -1.26 -4.95 118.70 115.10 1n3r s GLU 97 Ca 0.37 -1.24 -0.11 0.00 -0.41 0.00 0.00 54.97 53.57 1n3r s GLU 97 Cb 0.21 -2.38 0.05 0.00 -1.78 0.00 0.00 34.13 30.23 1n3r s GLU 97 CO 0.29 0.34 1.09 0.00 -0.49 0.00 0.00 175.26 176.50 1n3r s MET 98 N -3.79 2.39 -0.18 1.61 0.23 -1.26 -4.46 119.30 113.84 1n3r s MET 98 Ca 0.33 0.60 -0.01 0.00 -1.03 0.00 0.00 55.69 55.59 1n3r s MET 98 Cb -0.07 -1.96 0.05 0.00 -1.53 0.00 0.00 34.83 31.32 1n3r s MET 98 CO 0.23 -1.40 -0.04 0.08 -2.03 0.00 0.00 175.02 171.86 1n3r s VAL 99 N -3.21 1.07 -0.10 5.16 1.01 -0.87 -4.98 120.40 118.48 1n3r s VAL 99 Ca 0.60 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.87 1n3r s VAL 99 Cb -0.13 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1n3r s VAL 99 CO 0.53 0.05 0.02 -0.89 0.00 0.00 0.00 175.10 174.82 1n3r s THR 100 N 1.64 4.46 -0.24 3.92 2.01 -1.26 -2.50 115.64 123.66 1n3r s THR 100 Ca -0.00 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1n3r s THR 100 Cb -0.16 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.50 1n3r s THR 100 CO -0.07 0.60 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.67 1n3r s VAL 101 N -0.79 2.52 0.29 3.82 1.01 0.16 -4.98 120.40 122.42 1n3r s VAL 101 Ca 0.12 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1n3r s VAL 101 Cb -0.12 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1n3r s VAL 101 CO 0.02 0.16 0.15 0.00 0.00 0.00 0.00 175.10 175.44 1n3r s ARG 102 N 1.24 2.61 -1.48 2.72 1.70 -1.26 -1.25 118.95 123.22 1n3r s ARG 102 Ca -0.02 -1.30 -0.10 0.00 -0.47 0.00 0.00 55.73 53.84 1n3r s ARG 102 Cb -0.17 -2.36 0.06 0.00 -0.57 0.00 0.00 34.95 31.91 1n3r s ARG 102 CO -0.06 0.27 0.85 -0.25 -1.08 0.00 0.00 175.30 175.04 1n3r n ASP 103 N -1.14 -3.44 -4.70 -2.89 8.00 -1.06 -4.91 116.55 106.42 1n3r n ASP 103 Ca -0.05 -0.83 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 1n3r n ASP 103 Cb 0.59 -3.77 -0.03 0.00 -0.02 0.00 0.00 41.12 37.89 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 -3.44 3.97 0.11 0.53 1.01 0.14 -4.76 121.20 118.76 1n3r s ILE 104 Ca 0.46 1.36 -0.31 0.00 0.00 0.00 0.00 60.65 62.16 1n3r s ILE 104 Cb -0.23 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 1n3r s ILE 104 CO 0.84 0.03 1.54 -0.89 0.00 0.00 0.00 174.94 176.47 1n3r s THR 105 N 1.89 3.01 -0.12 2.92 2.01 -1.26 0.05 115.64 124.13 1n3r s THR 105 Ca 0.60 0.62 -0.01 0.00 0.31 0.00 0.00 61.69 63.21 1n3r s THR 105 Cb -0.29 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.85 1n3r s THR 105 CO 0.26 0.03 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.95 1n3r s LEU 106 N 1.76 1.10 -0.19 4.42 0.20 -0.44 -4.76 118.68 120.77 1n3r s LEU 106 Ca 0.70 -0.34 -0.00 0.00 0.69 0.00 0.00 54.13 55.17 1n3r s LEU 106 Cb -0.40 -0.73 0.01 0.00 -0.43 0.00 0.00 46.19 44.64 1n3r s LEU 106 CO 0.31 -0.16 -0.16 0.42 -0.29 0.00 0.00 176.35 176.47 1n3r s THR 107 N 1.77 2.41 0.09 3.68 -4.23 -1.26 -1.92 115.64 116.18 1n3r s THR 107 Ca 0.04 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 1n3r s THR 107 Cb -0.13 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 1n3r s THR 107 CO -0.07 0.49 0.07 -0.24 -0.54 0.00 0.00 174.62 174.32 1n3r n SER 108 N 4.66 0.01 -3.86 3.99 2.88 -0.08 -4.24 113.62 116.99 1n3r n SER 108 Ca -0.20 -1.57 -0.15 0.00 -1.33 0.00 0.00 58.87 55.61 1n3r n SER 108 Cb 0.50 0.41 -0.15 0.00 -0.75 0.00 0.00 64.21 64.22 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 -2.29 0.17 -0.16 2.46 2.01 -1.25 0.45 115.64 117.03 1n3r s THR 109 Ca 0.10 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1n3r s THR 109 Cb 0.00 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1n3r s THR 109 CO 0.07 0.10 1.41 0.00 -0.69 0.00 0.00 174.62 175.51 1n3r h GLU 111 N 9.01 0.00 0.00 0.00 4.11 -0.99 0.69 114.58 127.40 1n3r h GLU 111 Ca -0.31 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.03 1n3r h GLU 111 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1n3r h GLU 111 CO 0.98 0.00 -0.46 0.66 0.07 0.00 0.00 179.01 180.26 1n3r h SER 112 N 0.00 0.00 0.00 3.06 4.64 -1.90 -3.38 113.55 115.98 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 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1n3r h SER 112 CO 0.00 0.46 0.00 1.41 -0.87 0.00 0.00 176.83 177.83 1n3r n HIS 113 N -3.23 0.00 -3.60 4.77 8.25 -0.96 -5.03 115.22 115.42 1n3r n HIS 113 Ca 0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 1n3r n HIS 113 Cb 0.71 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.16 -2.02 -4.55 4.41 3.01 0.24 -5.00 117.46 113.39 1n3r n PHE 114 Ca 0.00 0.85 -0.23 0.00 1.01 0.00 0.00 57.45 59.08 1n3r n PHE 114 Cb 0.09 -4.50 -0.16 0.00 -0.01 0.00 0.00 39.48 34.90 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 -3.56 1.04 0.02 -4.37 1.01 -1.20 -4.88 120.40 108.46 1n3r s VAL 115 Ca 0.06 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 1n3r s VAL 115 Cb -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 1n3r s VAL 115 CO 0.79 0.32 0.44 0.41 0.00 0.00 0.00 175.10 177.06 1n3r n THR 116 N 3.44 0.23 -4.04 3.92 -1.04 -1.26 -0.83 114.28 114.70 1n3r n THR 116 Ca -0.20 -0.06 -0.31 0.00 -2.04 0.00 0.00 64.05 61.44 1n3r n THR 116 Cb 0.53 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.88 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 -0.12 1.76 -0.19 12.58 1.01 0.17 -2.30 121.20 134.11 1n3r s ILE 117 Ca 0.40 -0.90 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 1n3r s ILE 117 Cb -0.56 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 1n3r s ILE 117 CO 0.27 0.35 -0.06 -0.62 0.00 0.00 0.00 174.94 174.88 1n3r s ASP 118 N 1.38 4.27 0.15 3.58 2.15 -0.85 -0.90 116.67 126.46 1n3r s ASP 118 Ca 0.02 -0.35 -0.25 0.00 0.43 0.00 0.00 52.55 52.40 1n3r s ASP 118 Cb -0.14 -1.71 0.06 0.00 -0.30 0.00 0.00 42.92 40.83 1n3r s ASP 118 CO -0.10 0.04 0.89 -0.83 -0.17 0.00 0.00 175.17 175.00 1n3r s GLY 119 N 1.11 -0.26 -0.02 2.66 0.00 -0.81 0.26 107.32 110.26 1n3r s GLY 119 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1n3r s GLY 119 CO -0.01 0.04 0.01 0.54 0.00 0.00 0.00 173.10 173.68 1n3r s LYS 120 N -3.40 2.87 0.03 2.90 3.01 0.16 -1.32 119.74 123.99 1n3r s LYS 120 Ca 0.10 -0.54 0.09 0.00 -1.01 0.00 0.00 55.97 54.61 1n3r s LYS 120 Cb -0.02 -2.72 -0.03 0.00 -1.01 0.00 0.00 37.83 34.05 1n3r s LYS 120 CO 0.01 0.65 -0.26 0.00 0.51 0.00 0.00 175.35 176.25 1n3r s ALA 121 N -1.04 2.24 -0.13 5.17 0.00 0.11 -1.01 121.76 127.09 1n3r s ALA 121 Ca 0.18 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1n3r s ALA 121 Cb -0.12 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1n3r s ALA 121 CO 0.09 0.53 -0.04 0.99 0.00 0.00 0.00 175.76 177.33 1n3r s THR 122 N -0.75 0.88 -0.01 0.00 2.01 0.05 0.27 115.64 118.08 1n3r s THR 122 Ca 0.11 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.83 1n3r s THR 122 Cb -0.10 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1n3r s THR 122 CO 0.01 0.20 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.21 1n3r s VAL 123 N 1.75 2.23 0.02 3.82 1.01 -0.38 -1.14 120.40 127.70 1n3r s VAL 123 Ca 0.03 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.90 1n3r s VAL 123 Cb -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1n3r s VAL 123 CO -0.07 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.58 1n3r s ALA 124 N -0.66 0.04 0.01 5.51 0.00 -0.26 0.37 121.76 126.77 1n3r s ALA 124 Ca 0.11 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.33 1n3r s ALA 124 Cb -0.10 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1n3r s ALA 124 CO -0.00 -0.17 0.50 1.52 0.00 0.00 0.00 175.76 177.60 1n3r s TYR 125 N -1.50 -0.40 -0.46 0.00 1.13 -1.04 -0.71 117.35 114.36 1n3r s TYR 125 Ca -0.15 0.56 -0.11 0.00 -1.41 0.00 0.00 57.07 55.96 1n3r s TYR 125 Cb -0.09 0.28 0.10 0.00 -1.10 0.00 0.00 41.96 41.15 1n3r s TYR 125 CO -0.01 -0.56 0.33 0.42 -2.51 0.00 0.00 175.55 173.22 1n3r s ILE 126 N -1.86 4.48 0.46 -3.49 1.01 -0.78 -2.05 121.20 118.97 1n3r s ILE 126 Ca -0.09 -1.48 -0.20 0.00 0.00 0.00 0.00 60.65 58.88 1n3r s ILE 126 Cb -0.02 -3.81 -0.13 0.00 0.01 0.00 0.00 42.46 38.51 1n3r s ILE 126 CO 0.03 -0.64 0.30 -2.65 0.00 0.00 0.00 174.94 171.98 1n3r n PRO 127 N 4.99 0.30 0.00 2.79 -0.02 -1.25 -4.87 135.00 136.94 1n3r n PRO 127 Ca -0.10 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1n3r n PRO 127 Cb 0.42 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 0.84 0.00 -0.06 -0.52 4.81 -1.26 -4.68 118.16 117.29 1n3r n LYS 128 Ca 0.11 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.65 1n3r n LYS 128 Cb 0.42 0.00 0.42 0.00 0.02 0.00 0.00 35.03 35.90 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 1.31 -3.48 3.14 8.00 -1.26 -4.69 116.55 119.56 1n3r n ASP 129 Ca 0.00 -1.63 -0.13 0.00 0.71 0.00 0.00 54.79 53.74 1n3r n ASP 129 Cb 0.00 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.60 -0.51 -0.12 -2.24 1.04 -1.26 -3.11 113.70 105.90 1n3r s SER 130 Ca 0.32 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1n3r s SER 130 Cb 0.17 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.87 1n3r s SER 130 CO 0.26 -0.88 -0.11 -0.69 0.98 0.00 0.00 173.24 172.80 1n3r s VAL 131 N -3.34 1.26 0.28 5.02 1.01 -0.03 -4.69 120.40 119.91 1n3r s VAL 131 Ca -0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1n3r s VAL 131 Cb -0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 1n3r s VAL 131 CO -0.09 0.41 1.03 -0.51 0.00 0.00 0.00 175.10 175.93 1n3r s ILE 132 N 1.54 3.75 0.09 2.22 2.07 -1.26 -2.24 121.20 127.37 1n3r s ILE 132 Ca 0.03 1.72 -0.33 0.00 -1.41 0.00 0.00 60.65 60.67 1n3r s ILE 132 Cb -0.13 -4.08 -0.12 0.00 0.13 0.00 0.00 42.46 38.26 1n3r s ILE 132 CO -0.08 0.38 1.77 0.61 -1.91 0.00 0.00 174.94 175.70 1n3r n GLY 133 N 1.21 1.47 0.38 1.50 0.00 -1.08 -4.89 105.19 103.78 1n3r n GLY 133 Ca -0.01 0.73 -0.04 0.00 0.00 0.00 0.00 46.02 46.70 1n3r n GLY 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 134 N 7.87 -1.48 -2.36 0.99 3.38 -1.93 0.65 115.31 122.43 1n3r h LEU 134 Ca -0.46 0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1n3r h LEU 134 Cb 1.24 0.74 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 1n3r h LEU 134 CO 0.93 -0.29 0.18 0.77 0.09 0.00 0.00 178.44 180.12 1n3r h SER 135 N -0.06 0.00 0.17 -0.43 4.64 -2.01 -0.35 113.55 115.52 1n3r h SER 135 Ca 0.29 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.53 1n3r h SER 135 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1n3r h SER 135 CO -0.89 0.00 -0.29 0.11 -0.87 0.00 0.00 176.83 174.88 1n3r h LYS 136 N 0.00 0.20 0.00 4.77 1.79 -1.22 0.26 116.57 122.37 1n3r h LYS 136 Ca 0.05 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1n3r h LYS 136 Cb 0.41 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1n3r h LYS 136 CO -0.00 0.48 -0.03 0.82 -1.08 0.00 0.00 179.45 179.64 1n3r h ILE 137 N 0.18 0.08 0.00 1.86 2.04 -1.12 -1.88 117.51 118.67 1n3r h ILE 137 Ca 0.03 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 1n3r h ILE 137 Cb 0.62 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1n3r h ILE 137 CO 0.04 0.03 -0.52 0.78 0.00 0.00 0.00 178.15 178.48 1n3r h ASN 138 N 0.00 0.00 -0.27 1.72 2.35 -1.04 -3.08 115.58 115.27 1n3r h ASN 138 Ca -0.00 -0.42 0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1n3r h ASN 138 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1n3r h ASN 138 CO 0.00 1.01 0.21 0.03 -1.65 0.00 0.00 177.43 177.03 1n3r h ARG 139 N -1.00 0.00 -0.06 0.81 3.08 -0.56 -0.65 114.38 116.00 1n3r h ARG 139 Ca -0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1n3r h ARG 139 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1n3r h ARG 139 CO -0.07 0.00 -0.33 0.82 -1.07 0.00 0.00 179.97 179.32 1n3r h ILE 140 N 0.00 1.43 -0.59 2.04 2.04 -1.47 -1.08 117.51 119.88 1n3r h ILE 140 Ca 0.13 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1n3r h ILE 140 Cb 0.54 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 1n3r h ILE 140 CO -0.00 0.50 0.34 0.58 0.00 0.00 0.00 178.15 179.57 1n3r h VAL 141 N -0.16 1.17 0.00 1.67 2.07 -1.07 -2.43 116.25 117.50 1n3r h VAL 141 Ca -0.02 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1n3r h VAL 141 Cb 0.98 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1n3r h VAL 141 CO 0.07 0.19 -0.27 1.56 0.02 0.00 0.00 177.57 179.14 1n3r h GLN 142 N 0.82 0.00 0.67 1.57 1.08 -1.23 -2.92 115.11 115.09 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 -0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1n3r h GLN 142 CO -0.04 0.13 -0.32 0.35 -0.95 0.00 0.00 178.83 178.00 1n3r h PHE 143 N 0.00 -0.83 0.00 2.96 3.57 -0.69 -2.03 116.94 119.93 1n3r h PHE 143 Ca -0.01 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1n3r h PHE 143 Cb 1.11 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1n3r h PHE 143 CO 0.00 -0.52 -0.01 0.74 -2.23 0.00 0.00 178.31 176.29 1n3r h PHE 144 N -1.00 0.00 -0.08 0.41 0.04 -1.64 -2.05 116.94 112.63 1n3r h PHE 144 Ca -0.09 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.47 1n3r h PHE 144 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 1n3r h PHE 144 CO 0.05 0.01 -0.81 0.00 -0.60 0.00 0.00 178.31 176.96 1n3r h ALA 145 N 1.99 0.43 0.00 2.45 0.00 -1.32 -3.34 119.26 119.47 1n3r h ALA 145 Ca -0.00 -0.63 -0.55 0.00 0.00 0.00 0.00 54.91 53.72 1n3r h ALA 145 Cb 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1n3r h ALA 145 CO 0.00 0.75 2.83 1.04 0.00 0.00 0.00 179.25 183.87 1n3r n GLN 146 N -3.85 2.33 -3.68 0.00 1.13 -0.77 -4.26 117.38 108.28 1n3r n GLN 146 Ca -0.06 -1.86 -0.10 0.00 -1.94 0.00 0.00 57.00 53.04 1n3r n GLN 146 Cb 0.76 -2.76 -0.03 0.00 0.11 0.00 0.00 30.24 28.31 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 3.59 1.40 -0.28 -1.09 0.52 -1.14 -0.95 118.95 120.99 1n3r s ARG 147 Ca 0.51 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 1n3r s ARG 147 Cb 0.13 0.55 0.00 0.00 0.52 0.00 0.00 34.95 36.15 1n3r s ARG 147 CO -0.01 -0.60 1.25 -2.14 0.02 0.00 0.00 175.30 173.82 1n3r s PRO 148 N -3.85 3.99 0.44 3.54 0.02 -1.26 -3.93 135.00 133.95 1n3r s PRO 148 Ca 0.07 1.27 0.06 0.00 0.02 0.00 0.00 61.00 62.43 1n3r s PRO 148 Cb -0.02 -3.83 -0.04 0.00 0.02 0.00 0.00 34.50 30.63 1n3r s PRO 148 CO -0.04 -1.02 0.15 -0.65 -0.33 0.00 0.00 177.00 175.11 1n3r s GLN 149 N 3.97 2.17 -0.21 5.54 -1.52 0.61 -4.61 119.66 125.61 1n3r s GLN 149 Ca 0.54 -1.98 -0.03 0.00 -1.95 0.00 0.00 55.36 51.93 1n3r s GLN 149 Cb -0.16 -1.87 0.07 0.00 -0.22 0.00 0.00 33.01 30.82 1n3r s GLN 149 CO 0.20 -0.18 0.07 0.08 -0.25 0.00 0.00 175.29 175.21 1n3r s VAL 150 N -2.67 0.32 0.13 1.09 1.01 -1.26 -0.42 120.40 118.60 1n3r s VAL 150 Ca 0.35 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1n3r s VAL 150 Cb 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1n3r s VAL 150 CO 0.19 -0.35 1.17 1.67 0.00 0.00 0.00 175.10 177.79 1n3r n GLN 151 N 5.12 -0.30 -0.31 2.72 7.27 -1.26 0.45 117.38 131.08 1n3r n GLN 151 Ca -0.07 1.15 0.15 0.00 0.07 0.00 0.00 57.00 58.30 1n3r n GLN 151 Cb 0.46 -1.70 0.33 0.00 2.41 0.00 0.00 30.24 31.74 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 0.29 -0.12 3.69 3.07 -2.00 0.82 114.58 120.33 1n3r h GLU 152 Ca 0.16 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 1n3r h GLU 152 Cb 0.35 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1n3r h GLU 152 CO -0.72 0.19 -0.24 -0.09 -1.40 0.00 0.00 179.01 176.75 1n3r h ARG 153 N 0.30 0.37 -0.38 2.33 2.43 -0.43 -3.02 114.38 115.98 1n3r h ARG 153 Ca 0.59 -0.24 0.08 0.00 -0.81 0.00 0.00 59.98 59.59 1n3r h ARG 153 Cb 1.19 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.70 1n3r h ARG 153 CO -0.60 0.84 -0.11 1.25 -1.51 0.00 0.00 179.97 179.84 1n3r h LEU 154 N -0.04 -0.40 -0.63 3.80 5.85 0.18 0.83 115.31 124.90 1n3r h LEU 154 Ca 0.00 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1n3r h LEU 154 Cb 0.83 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 1n3r h LEU 154 CO 0.05 -0.14 0.15 0.74 -0.34 0.00 0.00 178.44 178.90 1n3r h THR 155 N -0.02 0.63 -0.45 1.05 2.02 -0.95 -0.99 112.91 114.20 1n3r h THR 155 Ca 0.18 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 1n3r h THR 155 Cb 0.30 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1n3r h THR 155 CO -0.40 0.05 0.02 1.56 0.37 0.00 0.00 175.52 177.12 1n3r h GLN 156 N 0.28 0.78 -0.29 6.66 1.08 -1.09 -1.92 115.11 120.61 1n3r h GLN 156 Ca 0.33 -0.24 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1n3r h GLN 156 Cb 0.51 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1n3r h GLN 156 CO -0.42 0.83 0.14 1.96 -0.95 0.00 0.00 178.83 180.39 1n3r h GLN 157 N 0.63 0.29 0.03 1.46 4.20 0.04 -0.29 115.11 121.47 1n3r h GLN 157 Ca 0.13 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1n3r h GLN 157 Cb 0.47 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1n3r h GLN 157 CO 0.02 0.19 -0.21 0.82 -0.67 0.00 0.00 178.83 178.98 1n3r h ILE 158 N 0.30 0.51 -0.02 2.54 1.08 -1.06 -0.87 117.51 119.99 1n3r h ILE 158 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1n3r h ILE 158 Cb 0.04 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1n3r h ILE 158 CO -0.09 0.00 -0.06 0.25 -0.69 0.00 0.00 178.15 177.56 1n3r h LEU 159 N -0.35 -0.21 -0.40 1.44 5.85 -0.61 -2.05 115.31 118.99 1n3r h LEU 159 Ca 0.05 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1n3r h LEU 159 Cb 0.42 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 1n3r h LEU 159 CO -0.18 -0.06 -0.22 0.40 -0.34 0.00 0.00 178.44 178.05 1n3r h ILE 160 N -0.07 0.38 -0.96 4.05 1.08 -0.97 -1.52 117.51 119.49 1n3r h ILE 160 Ca 0.00 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.67 1n3r h ILE 160 Cb 0.08 0.38 -0.11 0.00 -3.07 0.00 0.00 36.82 34.10 1n3r h ILE 160 CO -0.05 0.00 0.55 0.00 -0.69 0.00 0.00 178.15 177.95 1n3r h ALA 161 N 1.07 1.57 -0.12 1.87 0.00 -1.00 0.07 119.26 122.72 1n3r h ALA 161 Ca 0.19 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1n3r h ALA 161 Cb 0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1n3r h ALA 161 CO -0.49 -0.12 -0.19 -0.07 0.00 0.00 0.00 179.25 178.38 1n3r h LEU 162 N 0.66 0.38 -0.59 0.00 3.38 -0.57 -1.06 115.31 117.52 1n3r h LEU 162 Ca 0.56 -0.53 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1n3r h LEU 162 Cb 0.91 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 1n3r h LEU 162 CO -0.41 0.83 0.28 1.56 0.09 0.00 0.00 178.44 180.79 1n3r h GLN 163 N -0.06 0.51 0.54 1.13 4.20 -0.73 0.11 115.11 120.81 1n3r h GLN 163 Ca 0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1n3r h GLN 163 Cb 0.75 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1n3r h GLN 163 CO 0.04 0.34 -0.33 1.15 -0.67 0.00 0.00 178.83 179.36 1n3r h THR 164 N 0.53 0.32 -0.38 -0.54 2.02 -0.93 0.39 112.91 114.32 1n3r h THR 164 Ca 0.27 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.48 1n3r h THR 164 Cb 0.23 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1n3r h THR 164 CO -0.21 0.00 0.25 -0.07 0.37 0.00 0.00 175.52 175.86 1n3r h LEU 165 N -0.83 0.34 0.00 2.58 3.38 -0.68 -2.69 115.31 117.41 1n3r h LEU 165 Ca -0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1n3r h LEU 165 Cb 0.67 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1n3r h LEU 165 CO 0.07 0.24 -1.06 0.18 0.09 0.00 0.00 178.44 177.96 1n3r n LEU 166 N -4.48 0.78 -2.87 1.67 4.77 0.33 -4.99 117.00 112.21 1n3r n LEU 166 Ca 0.04 -0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 55.51 1n3r n LEU 166 Cb 0.15 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1n3r n LEU 166 CO 0.35 0.18 0.18 0.61 -1.33 0.00 0.00 177.39 177.38 1n3r n GLY 167 N 1.46 -0.20 3.09 -0.72 0.00 0.13 -4.77 105.19 104.19 1n3r n GLY 167 Ca 0.03 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1n3r n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n3r s THR 168 N -3.25 0.07 -2.10 2.61 2.01 -0.87 -4.92 115.64 109.18 1n3r s THR 168 Ca 0.41 -0.58 0.24 0.00 0.31 0.00 0.00 61.69 62.08 1n3r s THR 168 Cb -0.18 -0.40 0.14 0.00 0.01 0.00 0.00 72.50 72.07 1n3r s THR 168 CO 0.56 -0.32 1.31 0.59 -0.69 0.00 0.00 174.62 176.07 1n3r n ASN 169 N 1.71 1.80 -4.28 3.53 3.02 -1.26 -4.28 115.26 115.51 1n3r n ASN 169 Ca -0.21 -1.39 -0.43 0.00 -0.03 0.00 0.00 54.58 52.52 1n3r n ASN 169 Cb 0.56 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 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 -0.03 5.16 -4.15 6.41 3.02 -1.26 0.22 115.26 124.62 1n3r n ASN 170 Ca 0.11 -3.02 -0.10 0.00 -0.03 0.00 0.00 54.58 51.55 1n3r n ASN 170 Cb 0.44 -1.55 -0.10 0.00 -0.61 0.00 0.00 39.78 37.96 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 1.29 0.63 -0.21 2.41 1.01 -1.23 -1.87 120.40 122.43 1n3r s VAL 171 Ca 0.42 -1.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.40 1n3r s VAL 171 Cb 0.01 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.85 1n3r s VAL 171 CO 0.01 -0.86 0.51 0.00 0.00 0.00 0.00 175.10 174.75 1n3r s ALA 172 N -3.54 -1.34 -0.03 5.51 0.00 0.11 0.50 121.76 122.97 1n3r s ALA 172 Ca 0.10 1.81 0.03 0.00 0.00 0.00 0.00 51.96 53.90 1n3r s ALA 172 Cb 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1n3r s ALA 172 CO -0.05 -0.30 -0.10 0.08 0.00 0.00 0.00 175.76 175.39 1n3r s VAL 173 N 1.33 0.87 -0.03 0.00 1.01 -0.71 -1.10 120.40 121.78 1n3r s VAL 173 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1n3r s VAL 173 Cb -0.07 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1n3r s VAL 173 CO -0.13 0.27 0.00 -0.55 0.00 0.00 0.00 175.10 174.68 1n3r s SER 174 N 0.12 0.37 -0.09 3.32 0.15 -0.29 -0.78 113.70 116.49 1n3r s SER 174 Ca -0.02 -0.02 0.05 0.00 0.70 0.00 0.00 55.95 56.65 1n3r s SER 174 Cb -0.08 -0.19 -0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1n3r s SER 174 CO 0.01 -0.09 -0.24 -0.63 1.20 0.00 0.00 173.24 173.48 1n3r s ILE 175 N 0.92 2.06 -0.16 6.45 1.01 0.15 -0.77 121.20 130.86 1n3r s ILE 175 Ca -0.09 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1n3r s ILE 175 Cb -0.12 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1n3r s ILE 175 CO -0.02 0.56 -0.19 -0.62 0.00 0.00 0.00 174.94 174.68 1n3r s ASP 176 N 0.19 2.96 0.12 3.58 2.15 -0.18 0.76 116.67 126.25 1n3r s ASP 176 Ca -0.14 -0.58 -0.07 0.00 0.43 0.00 0.00 52.55 52.18 1n3r s ASP 176 Cb -0.17 -1.37 -0.01 0.00 -0.30 0.00 0.00 42.92 41.07 1n3r s ASP 176 CO 0.07 0.00 0.19 0.00 -0.17 0.00 0.00 175.17 175.27 1n3r s ALA 177 N 1.21 0.08 -0.16 3.66 0.00 0.52 0.38 121.76 127.46 1n3r s ALA 177 Ca 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1n3r s ALA 177 Cb -0.14 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1n3r s ALA 177 CO -0.09 -0.55 -0.06 0.08 0.00 0.00 0.00 175.76 175.14 1n3r s VAL 178 N -3.94 3.65 -0.39 0.00 1.01 0.14 0.41 120.40 121.29 1n3r s VAL 178 Ca 0.13 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 1n3r s VAL 178 Cb 0.05 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1n3r s VAL 178 CO -0.05 0.49 0.27 -1.00 0.00 0.00 0.00 175.10 174.81 1n3r s HIS 179 N 0.47 3.24 0.11 5.22 3.76 -1.26 -2.01 115.29 124.81 1n3r s HIS 179 Ca -0.05 -0.58 0.32 0.00 -0.15 0.00 0.00 55.06 54.60 1n3r s HIS 179 Cb -0.15 -2.54 1.62 0.00 1.11 0.00 0.00 32.58 32.63 1n3r s HIS 179 CO 0.03 -0.55 1.98 1.88 -0.85 0.00 0.00 174.74 177.23 1n3r h TYR 180 N 8.56 0.00 0.00 1.40 -1.99 -1.73 0.29 116.97 123.50 1n3r h TYR 180 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1n3r h TYR 180 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1n3r h TYR 180 CO 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.74 1n3r n VAL 182 N -0.99 0.14 -0.08 0.00 0.31 0.83 -4.54 118.33 114.00 1n3r n VAL 182 Ca 0.21 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.37 1n3r n VAL 182 Cb 0.10 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 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 0.00 -0.00 5.55 3.64 -0.61 0.34 116.57 125.49 1n3r h LYS 183 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1n3r h LYS 183 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1n3r h LYS 183 CO 0.00 0.29 -0.11 0.00 -2.27 0.00 0.00 179.45 177.36 1n3r n ALA 184 N -3.48 2.77 -2.65 5.00 0.00 0.66 -3.94 120.51 118.88 1n3r n ALA 184 Ca -0.13 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 1n3r n ALA 184 Cb 0.36 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.40 1.24 4.79 0.00 3.52 -1.14 -4.97 118.95 119.98 1n3r s ARG 185 Ca 0.30 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.58 1n3r s ARG 185 Cb 0.20 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.95 1n3r s ARG 185 CO 0.46 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 1n3r n GLY 186 N -0.25 1.60 0.24 8.12 0.00 -1.26 -1.73 105.19 111.90 1n3r n GLY 186 Ca -0.04 0.43 0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 1.20 -5.41 -0.61 6.09 -1.85 -3.48 117.51 113.45 1n3r h ILE 187 Ca 0.00 -0.89 -0.09 0.00 -1.37 0.00 0.00 64.86 62.51 1n3r h ILE 187 Cb 0.00 1.23 0.07 0.00 0.47 0.00 0.00 36.82 38.58 1n3r h ILE 187 CO 0.00 0.28 -0.30 0.54 -3.07 0.00 0.00 178.15 175.60 1n3r n ARG 188 N -4.24 -1.63 -3.47 2.19 1.74 -0.70 -4.99 116.66 105.56 1n3r n ARG 188 Ca -0.00 1.28 -0.43 0.00 -0.77 0.00 0.00 57.85 57.93 1n3r n ARG 188 Cb 0.29 -5.76 -0.09 0.00 -1.02 0.00 0.00 32.46 25.89 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 -3.13 5.95 0.41 0.55 -1.08 0.11 -4.93 116.67 114.55 1n3r s ASP 189 Ca 0.15 -1.37 0.28 0.00 -0.52 0.00 0.00 52.55 51.09 1n3r s ASP 189 Cb -0.02 -2.11 0.91 0.00 -1.46 0.00 0.00 42.92 40.24 1n3r s ASP 189 CO 0.75 -0.60 1.79 0.00 0.52 0.00 0.00 175.17 177.64 1n3r h ALA 190 N 8.62 1.00 0.00 3.66 0.00 -1.84 -3.36 119.26 127.34 1n3r h ALA 190 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.35 1n3r h ALA 190 Cb 1.10 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1n3r h ALA 190 CO 0.83 0.00 -2.25 0.25 0.00 0.00 0.00 179.25 178.07 1n3r n THR 191 N -2.81 1.13 -1.85 0.00 -2.24 -1.26 -5.03 114.28 102.22 1n3r n THR 191 Ca 0.03 -0.76 -0.32 0.00 -2.27 0.00 0.00 64.05 60.72 1n3r n THR 191 Cb 0.38 -0.43 0.03 0.00 -2.10 0.00 0.00 70.33 68.21 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 -5.20 5.52 0.05 3.42 1.04 -1.26 -5.08 113.70 112.19 1n3r s SER 192 Ca -0.09 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.10 1n3r s SER 192 Cb 0.07 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1n3r s SER 192 CO 0.78 -1.35 0.06 0.00 0.98 0.00 0.00 173.24 173.72 1n3r s ALA 193 N -2.59 0.09 -0.09 5.32 0.00 -1.26 -4.72 121.76 118.50 1n3r s ALA 193 Ca 0.63 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1n3r s ALA 193 Cb -0.16 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1n3r s ALA 193 CO 0.43 -0.34 -0.18 0.99 0.00 0.00 0.00 175.76 176.65 1n3r s THR 194 N -3.00 2.65 -0.25 0.00 2.01 0.17 -4.91 115.64 112.29 1n3r s THR 194 Ca -0.02 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 1n3r s THR 194 Cb 0.01 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.48 1n3r s THR 194 CO -0.06 0.55 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.52 1n3r s THR 195 N 0.00 3.37 0.12 -0.82 2.01 -1.25 -0.35 115.64 118.72 1n3r s THR 195 Ca -0.06 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.28 1n3r s THR 195 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1n3r s THR 195 CO 0.05 0.23 -0.19 0.42 -0.69 0.00 0.00 174.62 174.44 1n3r s THR 196 N 1.43 2.76 0.04 -0.82 -4.23 0.23 -4.96 115.64 110.09 1n3r s THR 196 Ca 0.03 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1n3r s THR 196 Cb -0.16 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1n3r s THR 196 CO -0.02 0.08 -0.02 0.42 -0.54 0.00 0.00 174.62 174.54 1n3r s THR 197 N -1.18 0.16 -0.19 3.99 -4.23 -1.26 0.34 115.64 113.27 1n3r s THR 197 Ca 0.18 -1.35 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1n3r s THR 197 Cb -0.10 -0.90 0.09 0.00 1.34 0.00 0.00 72.50 72.92 1n3r s THR 197 CO 0.10 -0.75 0.22 -0.44 -0.54 0.00 0.00 174.62 173.21 1n3r s SER 198 N -2.20 1.32 -0.29 3.99 0.01 0.04 -4.93 113.70 111.63 1n3r s SER 198 Ca -0.04 -0.16 -0.10 0.00 1.31 0.00 0.00 55.95 56.95 1n3r s SER 198 Cb -0.01 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 1n3r s SER 198 CO -0.06 -0.32 0.17 -0.76 0.41 0.00 0.00 173.24 172.69 1n3r s LEU 199 N 2.32 4.01 0.08 2.44 1.43 -1.26 -1.74 118.68 125.96 1n3r s LEU 199 Ca 0.06 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 1n3r s LEU 199 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1n3r s LEU 199 CO -0.11 -0.10 0.18 -0.83 0.23 0.00 0.00 176.35 175.71 1n3r s GLY 200 N 1.70 2.08 0.00 -3.19 0.00 0.18 -4.41 107.32 103.68 1n3r s GLY 200 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1n3r s GLY 200 CO 0.09 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.89 1n3r n GLY 201 N 0.23 2.88 0.39 0.20 0.00 0.59 -1.80 105.19 107.67 1n3r n GLY 201 Ca -0.06 -0.04 0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 0.55 -1.99 0.99 3.38 -1.93 0.47 115.31 116.78 1n3r h LEU 202 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1n3r h LEU 202 Cb 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1n3r h LEU 202 CO 0.00 0.17 0.05 -0.26 0.09 0.00 0.00 178.44 178.48 1n3r h PHE 203 N 0.52 0.00 0.00 1.13 0.04 -1.62 0.41 116.94 117.41 1n3r h PHE 203 Ca 0.56 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 61.12 1n3r h PHE 203 Cb 1.22 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.34 1n3r h PHE 203 CO -0.00 0.00 -1.61 1.17 -0.60 0.00 0.00 178.31 177.27 1n3r n LYS 204 N -2.58 0.35 -0.03 1.51 4.81 0.15 -3.94 118.16 118.43 1n3r n LYS 204 Ca -0.02 0.15 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 1n3r n LYS 204 Cb 0.09 -1.09 -0.09 0.00 0.02 0.00 0.00 35.03 33.96 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 -0.61 0.23 -2.80 3.14 4.64 -1.06 -3.42 113.55 113.67 1n3r h SER 205 Ca -0.32 -0.58 -0.54 0.00 -0.47 0.00 0.00 61.79 59.88 1n3r h SER 205 Cb 1.18 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 1n3r h SER 205 CO -0.20 0.76 1.08 -0.55 -0.87 0.00 0.00 176.83 177.06 1n3r s SER 206 N -6.07 6.16 0.29 4.97 0.15 0.14 -4.88 113.70 114.47 1n3r s SER 206 Ca -0.15 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.69 1n3r s SER 206 Cb 0.03 -2.55 0.69 0.00 -1.71 0.00 0.00 66.02 62.48 1n3r s SER 206 CO 0.73 -1.71 1.75 -0.61 1.20 0.00 0.00 173.24 174.60 1n3r h GLN 207 N 10.77 0.60 0.78 5.44 5.75 -1.82 -0.38 115.11 136.25 1n3r h GLN 207 Ca -0.27 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.16 1n3r h GLN 207 Cb 1.08 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.50 1n3r h GLN 207 CO 1.19 0.40 -0.37 -0.97 -2.65 0.00 0.00 178.83 176.43 1n3r h ASN 208 N 0.62 -0.89 0.15 -0.69 -1.24 -1.90 -3.01 115.58 108.62 1n3r h ASN 208 Ca 0.55 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.59 1n3r h ASN 208 Cb 0.90 0.23 -0.04 0.00 0.73 0.00 0.00 38.32 40.14 1n3r h ASN 208 CO -0.42 -0.58 -0.33 0.74 -1.29 0.00 0.00 177.43 175.55 1n3r h THR 209 N -1.14 0.30 -0.85 -3.57 2.02 -1.69 -2.74 112.91 105.24 1n3r h THR 209 Ca -0.11 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.17 1n3r h THR 209 Cb 0.82 0.30 -0.11 0.00 -1.74 0.00 0.00 68.15 67.41 1n3r h THR 209 CO 0.18 0.00 -0.45 -1.14 0.37 0.00 0.00 175.52 174.47 1n3r n ARG 210 N -5.43 -0.32 0.14 6.66 0.63 -0.20 -0.77 116.66 117.36 1n3r n ARG 210 Ca -0.07 1.30 0.01 0.00 -0.92 0.00 0.00 57.85 58.16 1n3r n ARG 210 Cb 0.34 -1.91 0.31 0.00 0.45 0.00 0.00 32.46 31.64 1n3r n ARG 210 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1n3r h HIS 211 N 0.00 0.15 -0.74 -0.14 3.86 -1.41 -0.72 115.15 116.15 1n3r h HIS 211 Ca 0.18 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1n3r h HIS 211 Cb 0.40 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 1n3r h HIS 211 CO -0.84 0.47 0.47 0.93 0.86 0.00 0.00 177.93 179.81 1n3r h GLU 212 N 0.12 0.99 0.02 2.45 5.08 -0.65 -0.30 114.58 122.29 1n3r h GLU 212 Ca 0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1n3r h GLU 212 Cb 0.68 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1n3r h GLU 212 CO 0.05 0.68 -0.01 0.35 -1.00 0.00 0.00 179.01 179.08 1n3r h PHE 213 N 1.02 -0.02 -0.19 4.33 3.57 -1.09 -3.03 116.94 121.52 1n3r h PHE 213 Ca 0.27 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.83 1n3r h PHE 213 Cb -0.07 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1n3r h PHE 213 CO 0.00 0.72 0.15 -0.07 -2.23 0.00 0.00 178.31 176.88 1n3r h LEU 214 N -0.82 0.00 -0.21 0.59 3.38 -0.93 -1.45 115.31 115.86 1n3r h LEU 214 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1n3r h LEU 214 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1n3r h LEU 214 CO 0.00 0.00 -0.88 -0.09 0.09 0.00 0.00 178.44 177.56 1n3r h ARG 215 N 0.00 0.47 -0.92 1.13 2.43 -1.12 -3.14 114.38 113.23 1n3r h ARG 215 Ca 0.09 -0.46 -0.05 0.00 -0.81 0.00 0.00 59.98 58.75 1n3r h ARG 215 Cb 0.39 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1n3r h ARG 215 CO -0.00 1.11 0.06 0.00 -1.51 0.00 0.00 179.97 179.63 1n3r n ALA 216 N -2.55 3.07 -2.51 2.80 0.00 -0.56 -4.86 120.51 115.91 1n3r n ALA 216 Ca -0.07 -0.66 -0.27 0.00 0.00 0.00 0.00 53.44 52.45 1n3r n ALA 216 Cb 0.80 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.34 2.86 -0.14 0.00 1.01 -1.15 -4.87 120.40 116.77 1n3r s VAL 217 Ca 0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 61.98 60.36 1n3r s VAL 217 Cb 0.13 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1n3r s VAL 217 CO 0.04 -0.07 0.19 -1.14 0.00 0.00 0.00 175.10 174.12 1n3r n ARG 218 N 0.27 -0.67 -4.41 2.72 0.00 -1.26 -5.05 116.66 108.26 1n3r n ARG 218 Ca -0.12 0.96 -0.22 0.00 -0.00 0.00 0.00 57.85 58.46 1n3r n ARG 218 Cb 0.55 -2.77 -0.10 0.00 0.00 0.00 0.00 32.46 30.14 1n3r n ARG 218 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1n3r s HIS 219 N -1.73 2.06 -0.10 -0.14 3.76 -1.26 -5.14 115.29 112.74 1n3r s HIS 219 Ca 0.06 -0.42 -0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1n3r s HIS 219 Cb -0.02 -0.94 0.02 0.00 1.11 0.00 0.00 32.58 32.76 1n3r s HIS 219 CO 0.23 0.54 -0.07 -1.58 -0.85 0.00 0.00 174.74 173.01 1n3r s HIS 220 N -2.47 1.36 0.00 1.40 2.46 -1.26 -4.91 115.29 111.87 1n3r s HIS 220 Ca 0.25 -0.63 0.00 0.00 0.47 0.00 0.00 55.06 55.15 1n3r s HIS 220 Cb -0.04 -1.15 0.00 0.00 -0.13 0.00 0.00 32.58 31.26 1n3r s HIS 220 CO 0.11 -0.46 0.00 0.09 -2.47 0.00 0.00 174.74 172.01