#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 -2.93 3.54 2.88 -1.26 -5.07 113.62 110.78 1n3r n SER 2 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1n3r n SER 2 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.19 0.00 2.46 4.77 -1.26 -5.04 117.00 117.74 1n3r n LEU 3 Ca 0.00 -4.29 0.00 0.00 -0.03 0.00 0.00 56.01 51.69 1n3r n LEU 3 Cb 0.00 0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1n3r n LEU 3 CO 0.00 2.07 0.00 -0.24 -1.33 0.00 0.00 177.39 177.89 1n3r n SER 4 N 0.16 0.00 0.02 -1.43 2.88 -1.26 -4.89 113.62 109.11 1n3r n SER 4 Ca 0.14 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 1n3r n SER 4 Cb 0.72 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.11 1n3r n SER 4 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1n3r h LYS 5 N 0.00 0.04 0.18 -1.46 1.57 -1.99 0.54 116.57 115.44 1n3r h LYS 5 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1n3r h LYS 5 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1n3r h LYS 5 CO 0.00 0.07 -0.09 0.93 -0.57 0.00 0.00 179.45 179.79 1n3r h GLU 6 N 0.00 -0.23 -0.66 3.15 3.07 -1.98 -0.97 114.58 116.96 1n3r h GLU 6 Ca 0.01 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 59.00 1n3r h GLU 6 Cb 0.04 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 27.91 1n3r h GLU 6 CO -0.00 0.13 0.22 0.00 -1.40 0.00 0.00 179.01 177.96 1n3r h ALA 7 N 0.07 0.87 -0.10 3.43 0.00 -1.90 -1.16 119.26 120.47 1n3r h ALA 7 Ca -0.02 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n3r h ALA 7 Cb 0.47 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1n3r h ALA 7 CO 0.04 -0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.08 1n3r h ALA 8 N 1.49 0.13 -0.91 0.00 0.00 0.12 -1.11 119.26 118.97 1n3r h ALA 8 Ca 0.35 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1n3r h ALA 8 Cb 0.50 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1n3r h ALA 8 CO -0.37 -0.23 0.55 -0.07 0.00 0.00 0.00 179.25 179.12 1n3r h LEU 9 N -0.07 0.80 0.49 0.00 3.38 -0.53 -1.42 115.31 117.95 1n3r h LEU 9 Ca 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1n3r h LEU 9 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1n3r h LEU 9 CO 0.00 0.45 -0.23 0.58 0.09 0.00 0.00 178.44 179.33 1n3r h VAL 10 N 0.90 0.00 -1.12 1.22 2.07 -1.12 -1.96 116.25 116.24 1n3r h VAL 10 Ca 0.44 -0.40 0.33 0.00 0.82 0.00 0.00 66.70 67.89 1n3r h VAL 10 Cb 0.39 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.05 1n3r h VAL 10 CO -0.25 0.00 0.71 -0.74 0.02 0.00 0.00 177.57 177.31 1n3r h HIS 11 N -1.05 0.66 -0.05 1.57 -0.00 -1.08 0.99 115.15 116.19 1n3r h HIS 11 Ca -0.07 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.14 1n3r h HIS 11 Cb 0.50 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1n3r h HIS 11 CO 0.02 -0.05 -0.79 0.93 -0.00 0.00 0.00 177.93 178.03 1n3r h GLU 12 N 0.29 0.35 -0.03 5.26 5.08 -1.29 -2.03 114.58 122.21 1n3r h GLU 12 Ca 0.68 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1n3r h GLU 12 Cb 1.86 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 1n3r h GLU 12 CO -0.38 0.97 -0.58 0.00 -1.00 0.00 0.00 179.01 178.02 1n3r h ALA 13 N 0.93 0.97 0.12 3.43 0.00 0.17 -1.44 119.26 123.44 1n3r h ALA 13 Ca -0.04 -0.53 -0.28 0.00 0.00 0.00 0.00 54.91 54.06 1n3r h ALA 13 Cb 1.38 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1n3r h ALA 13 CO 0.13 0.72 -1.32 -0.07 0.00 0.00 0.00 179.25 178.71 1n3r h LEU 14 N 0.08 0.40 -1.20 0.00 3.38 -0.74 -3.18 115.31 114.04 1n3r h LEU 14 Ca -0.00 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1n3r h LEU 14 Cb 1.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1n3r h LEU 14 CO 0.08 1.37 -0.39 0.58 0.09 0.00 0.00 178.44 180.17 1n3r h VAL 15 N 0.07 1.23 0.00 1.22 2.07 -1.29 -1.25 116.25 118.30 1n3r h VAL 15 Ca -0.16 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1n3r h VAL 15 Cb 1.98 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1n3r h VAL 15 CO 0.19 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.16 1n3r n ALA 16 N -2.44 2.38 -1.10 1.67 0.00 -0.55 -3.08 120.51 117.38 1n3r n ALA 16 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1n3r n ALA 16 Cb 0.43 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.58 0.00 -3.16 0.00 3.00 -0.81 -5.01 116.66 110.09 1n3r n ARG 17 Ca 0.03 -0.43 -0.21 0.00 -0.00 0.00 0.00 57.85 57.25 1n3r n ARG 17 Cb 0.01 -0.45 0.05 0.00 0.00 0.00 0.00 32.46 32.08 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 0.00 -0.40 0.16 5.14 0.00 -1.03 -4.90 105.19 104.16 1n3r n GLY 18 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.03 1.00 -4.76 0.99 4.77 -0.53 -5.01 117.00 109.43 1n3r n LEU 19 Ca -0.06 -0.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.85 1n3r n LEU 19 Cb 0.59 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 1n3r n LEU 19 CO 0.49 0.21 0.85 -1.61 -1.33 0.00 0.00 177.39 176.00 1n3r s GLU 20 N -1.67 4.55 0.13 3.23 0.41 -1.23 -4.84 118.70 119.28 1n3r s GLU 20 Ca 0.07 1.91 -0.35 0.00 -0.41 0.00 0.00 54.97 56.19 1n3r s GLU 20 Cb 0.09 -3.17 -0.15 0.00 -1.78 0.00 0.00 34.13 29.12 1n3r s GLU 20 CO 0.34 0.07 1.48 2.41 -0.49 0.00 0.00 175.26 179.07 1n3r n THR 21 N 1.32 0.00 -1.53 3.63 -1.04 -1.26 -4.72 114.28 110.68 1n3r n THR 21 Ca -0.00 -0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1n3r n THR 21 Cb 0.44 -1.23 -0.10 0.00 -1.82 0.00 0.00 70.33 67.63 1n3r n THR 21 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1n3r n PRO 22 N 3.04 0.51 -4.54 -2.82 -0.02 -1.26 -4.92 135.00 124.99 1n3r n PRO 22 Ca 0.18 -0.06 -0.28 0.00 -2.02 0.00 0.00 63.50 61.31 1n3r n PRO 22 Cb 0.25 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 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 10.33 2.26 -0.15 2.45 1.02 -1.26 -5.13 118.68 128.20 1n3r s LEU 23 Ca 1.16 -0.68 -0.07 0.00 0.02 0.00 0.00 54.13 54.56 1n3r s LEU 23 Cb -0.67 -1.17 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 1n3r s LEU 23 CO 0.36 0.18 0.11 -0.60 0.02 0.00 0.00 176.35 176.42 1n3r s ARG 24 N -1.74 3.67 -0.25 1.70 3.52 -1.26 -5.03 118.95 119.56 1n3r s ARG 24 Ca 0.12 -0.22 -0.41 0.00 -0.13 0.00 0.00 55.73 55.08 1n3r s ARG 24 Cb -0.10 -3.21 -0.17 0.00 -1.56 0.00 0.00 34.95 29.91 1n3r s ARG 24 CO 0.04 0.56 1.58 -2.30 -0.81 0.00 0.00 175.30 174.37 1n3r n PRO 25 N 2.66 0.74 -0.27 5.12 -0.02 -1.26 -4.82 135.00 137.15 1n3r n PRO 25 Ca -0.18 0.27 0.26 0.00 -2.02 0.00 0.00 63.50 61.83 1n3r n PRO 25 Cb 0.54 -1.88 0.62 0.00 -0.02 0.00 0.00 33.50 32.75 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 5.80 0.20 0.00 0.52 0.11 -2.07 -3.46 132.00 133.11 1n3r h PRO 26 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n3r h PRO 26 Cb 1.35 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n3r h PRO 26 CO 0.91 0.14 0.00 0.28 -0.21 0.00 0.00 178.00 179.11 1n3r n VAL 27 N -4.42 0.00 -4.03 3.15 0.31 -1.26 -4.70 118.33 107.39 1n3r n VAL 27 Ca 0.22 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.25 1n3r n VAL 27 Cb 0.94 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.81 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 3.26 -1.26 3.52 -3.43 -1.26 -5.04 115.29 111.08 1n3r s HIS 28 Ca 0.00 0.12 -0.10 0.00 -0.80 0.00 0.00 55.06 54.28 1n3r s HIS 28 Cb 0.00 -1.66 0.17 0.00 -1.43 0.00 0.00 32.58 29.66 1n3r s HIS 28 CO 0.00 0.54 1.79 0.39 -2.00 0.00 0.00 174.74 175.45 1n3r n GLU 29 N 0.48 3.58 -1.70 -0.38 1.02 -1.26 -5.00 120.64 117.38 1n3r n GLU 29 Ca -0.08 -3.60 -0.41 0.00 -0.02 0.00 0.00 57.16 53.05 1n3r n GLU 29 Cb 0.52 -2.94 0.01 0.00 -0.02 0.00 0.00 31.44 29.01 1n3r n GLU 29 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1n3r n MET 30 N 4.18 1.91 -1.63 3.49 0.00 -1.26 -4.84 117.12 118.97 1n3r n MET 30 Ca 0.39 0.68 -0.49 0.00 -0.00 0.00 0.00 57.70 58.28 1n3r n MET 30 Cb 0.37 -2.39 -0.05 0.00 0.00 0.00 0.00 33.22 31.16 1n3r n MET 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1n3r n ASP 31 N 0.16 2.35 -0.06 6.12 2.03 -1.26 -4.89 116.55 121.00 1n3r n ASP 31 Ca 0.07 1.11 -0.09 0.00 0.52 0.00 0.00 54.79 56.39 1n3r n ASP 31 Cb 0.40 -1.31 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 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 5.09 -1.11 -0.99 1.67 -1.24 -2.02 -0.60 115.58 116.38 1n3r h ASN 32 Ca -0.46 0.18 0.14 0.00 0.71 0.00 0.00 56.30 56.86 1n3r h ASN 32 Cb 1.30 0.49 -0.09 0.00 0.73 0.00 0.00 38.32 40.75 1n3r h ASN 32 CO 0.82 -0.35 0.61 -0.33 -1.29 0.00 0.00 177.43 176.89 1n3r h GLU 33 N -0.34 0.89 -0.47 6.67 5.08 -2.01 -0.41 114.58 123.99 1n3r h GLU 33 Ca 0.13 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1n3r h GLU 33 Cb 0.55 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1n3r h GLU 33 CO -0.46 0.59 0.33 1.15 -1.00 0.00 0.00 179.01 179.61 1n3r h THR 34 N 0.92 0.86 0.00 1.13 2.02 -1.47 -1.30 112.91 115.08 1n3r h THR 34 Ca 0.51 -0.07 -0.24 0.00 0.77 0.00 0.00 66.41 67.38 1n3r h THR 34 Cb 0.58 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1n3r h THR 34 CO -0.30 0.04 -0.98 0.03 0.37 0.00 0.00 175.52 174.68 1n3r h ARG 35 N 0.21 0.50 -0.71 6.66 3.08 -0.81 -2.75 114.38 120.57 1n3r h ARG 35 Ca 0.22 -0.54 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 1n3r h ARG 35 Cb 0.59 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1n3r h ARG 35 CO -0.04 1.18 0.27 0.87 -1.07 0.00 0.00 179.97 181.18 1n3r h LYS 36 N 0.28 1.07 -0.42 0.04 1.57 -1.13 0.33 116.57 118.32 1n3r h LYS 36 Ca -0.10 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.43 1n3r h LYS 36 Cb 1.62 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 1n3r h LYS 36 CO 0.18 0.90 0.06 0.66 -0.57 0.00 0.00 179.45 180.67 1n3r h SER 37 N 1.02 0.60 -0.03 0.86 4.64 -1.41 0.35 113.55 119.58 1n3r h SER 37 Ca 0.23 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1n3r h SER 37 Cb 0.24 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1n3r h SER 37 CO -0.02 0.63 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.40 1n3r h LEU 38 N 0.62 0.15 0.45 5.97 3.38 -1.08 -2.26 115.31 122.53 1n3r h LEU 38 Ca 0.14 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1n3r h LEU 38 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1n3r h LEU 38 CO 0.00 0.75 -0.23 0.40 0.09 0.00 0.00 178.44 179.46 1n3r h ILE 39 N -0.45 0.53 -0.76 1.22 2.04 -0.05 -0.89 117.51 119.15 1n3r h ILE 39 Ca -0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 1n3r h ILE 39 Cb 0.74 0.53 -0.12 0.00 -0.74 0.00 0.00 36.82 37.24 1n3r h ILE 39 CO 0.02 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.34 1n3r h ALA 40 N -0.07 0.99 -0.72 1.87 0.00 -0.40 0.12 119.26 121.05 1n3r h ALA 40 Ca -0.06 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1n3r h ALA 40 Cb 0.49 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1n3r h ALA 40 CO 0.09 -0.36 0.44 0.78 0.00 0.00 0.00 179.25 180.19 1n3r h GLY 41 N 0.25 1.05 0.99 0.00 0.00 -0.77 0.30 103.07 104.88 1n3r h GLY 41 Ca 0.44 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1n3r h GLY 41 CO -0.55 0.24 0.02 0.45 0.00 0.00 0.00 176.54 176.70 1n3r h HIS 42 N 0.83 0.89 -0.54 5.60 -0.00 0.55 -2.56 115.15 119.92 1n3r h HIS 42 Ca 0.30 -0.15 -0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1n3r h HIS 42 Cb 0.09 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 1n3r h HIS 42 CO -0.05 0.85 0.32 0.52 -0.00 0.00 0.00 177.93 179.57 1n3r h MET 43 N 0.68 0.74 -0.95 2.45 2.86 -0.47 -1.09 114.93 119.15 1n3r h MET 43 Ca 0.14 -0.07 0.18 0.00 -2.06 0.00 0.00 59.70 57.88 1n3r h MET 43 Cb 0.48 -0.15 -0.10 0.00 0.06 0.00 0.00 31.60 31.88 1n3r h MET 43 CO 0.02 0.55 0.54 1.15 1.06 0.00 0.00 176.91 180.22 1n3r h THR 44 N 0.73 0.70 -0.49 2.22 2.02 -0.74 0.42 112.91 117.77 1n3r h THR 44 Ca 0.19 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1n3r h THR 44 Cb -0.00 -0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 1n3r h THR 44 CO -0.04 0.13 0.16 -0.33 0.37 0.00 0.00 175.52 175.82 1n3r h GLU 45 N 0.70 0.75 -0.33 6.66 4.39 -0.83 -1.09 114.58 124.82 1n3r h GLU 45 Ca 0.54 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 1n3r h GLU 45 Cb 0.83 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1n3r h GLU 45 CO -0.39 0.70 0.13 0.82 -1.16 0.00 0.00 179.01 179.11 1n3r h ILE 46 N 0.65 1.18 0.00 3.13 2.04 0.60 0.33 117.51 125.44 1n3r h ILE 46 Ca 0.16 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1n3r h ILE 46 Cb 0.25 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1n3r h ILE 46 CO -0.01 0.20 -0.22 0.24 0.00 0.00 0.00 178.15 178.36 1n3r h MET 47 N 0.39 0.00 0.14 2.37 2.86 -0.42 -0.02 114.93 120.26 1n3r h MET 47 Ca 0.11 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.46 1n3r h MET 47 Cb 0.18 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.87 1n3r h MET 47 CO -0.01 0.22 -1.23 1.96 1.06 0.00 0.00 176.91 178.91 1n3r h GLN 48 N 0.00 0.58 0.00 1.72 4.20 -0.67 -1.33 115.11 119.62 1n3r h GLN 48 Ca -0.00 -0.82 0.00 0.00 0.06 0.00 0.00 58.65 57.89 1n3r h GLN 48 Cb 0.47 0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1n3r h GLN 48 CO 0.03 1.37 0.00 -0.07 -0.67 0.00 0.00 178.83 179.49 1n3r h LEU 49 N 0.19 0.00 -3.51 1.46 3.38 0.45 0.66 115.31 117.94 1n3r h LEU 49 Ca -0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1n3r h LEU 49 Cb 1.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.66 1n3r h LEU 49 CO 0.23 0.00 0.02 0.18 0.09 0.00 0.00 178.44 178.96 1n3r n LEU 50 N -2.62 5.31 -4.08 1.67 4.77 -0.10 -4.96 117.00 117.00 1n3r n LEU 50 Ca -0.01 -2.99 -0.28 0.00 -0.03 0.00 0.00 56.01 52.70 1n3r n LEU 50 Cb 0.13 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.52 1n3r n LEU 50 CO 0.17 0.66 -0.25 0.59 -1.33 0.00 0.00 177.39 177.23 1n3r n ASN 51 N 0.27 -0.50 -4.67 -1.43 3.02 0.22 -4.96 115.26 107.21 1n3r n ASN 51 Ca 0.27 -1.07 -0.35 0.00 -0.03 0.00 0.00 54.58 53.41 1n3r n ASN 51 Cb 1.14 -2.69 -0.09 0.00 -0.61 0.00 0.00 39.78 37.53 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 -7.10 3.87 -1.21 3.41 1.43 -0.52 -5.03 118.68 113.53 1n3r s LEU 52 Ca 0.12 0.14 -0.21 0.00 -1.03 0.00 0.00 54.13 53.15 1n3r s LEU 52 Cb -0.07 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1n3r s LEU 52 CO 0.92 0.23 1.87 -0.62 0.23 0.00 0.00 176.35 178.98 1n3r s ASP 53 N 0.06 5.56 0.50 2.29 2.15 -1.26 -4.65 116.67 121.31 1n3r s ASP 53 Ca 0.06 -1.87 0.18 0.00 0.43 0.00 0.00 52.55 51.35 1n3r s ASP 53 Cb -0.12 -2.59 1.24 0.00 -0.30 0.00 0.00 42.92 41.15 1n3r s ASP 53 CO 0.01 -2.52 2.07 -0.07 -0.17 0.00 0.00 175.17 174.49 1n3r h LEU 54 N 16.23 0.09 -1.05 -1.34 3.38 -1.92 -0.23 115.31 130.47 1n3r h LEU 54 Ca 0.28 -0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.48 1n3r h LEU 54 Cb 0.92 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.54 1n3r h LEU 54 CO 1.29 0.06 0.61 0.00 0.09 0.00 0.00 178.44 180.49 1n3r h ALA 55 N 1.86 1.81 -2.62 1.53 0.00 -1.94 -3.31 119.26 116.59 1n3r h ALA 55 Ca 0.12 0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.57 1n3r h ALA 55 Cb 0.36 -0.01 0.17 0.00 0.00 0.00 0.00 17.79 18.32 1n3r h ALA 55 CO -0.01 -0.25 -0.16 -3.47 0.00 0.00 0.00 179.25 175.36 1n3r n ASP 56 N -4.82 -0.30 0.24 0.00 2.03 -0.10 -4.89 116.55 108.70 1n3r n ASP 56 Ca 0.26 0.70 0.08 0.00 0.52 0.00 0.00 54.79 56.35 1n3r n ASP 56 Cb 0.71 -1.29 0.59 0.00 -0.72 0.00 0.00 41.12 40.41 1n3r n ASP 56 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1n3r h ASP 57 N 0.05 0.00 0.00 1.67 2.03 -1.87 -3.23 116.42 115.07 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 1.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 1n3r h ASP 57 CO 0.47 0.18 -0.11 -1.28 -1.03 0.00 0.00 179.24 177.46 1n3r h SER 58 N 0.00 0.00 0.00 4.15 0.87 -1.90 -3.36 113.55 113.31 1n3r h SER 58 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1n3r h SER 58 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1n3r h SER 58 CO 0.02 0.25 0.04 0.18 -0.53 0.00 0.00 176.83 176.79 1n3r n LEU 59 N -3.12 0.00 -0.11 2.23 4.77 -1.26 -1.88 117.00 117.63 1n3r n LEU 59 Ca -0.02 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1n3r n LEU 59 Cb 0.06 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1n3r n LEU 59 CO 0.02 -0.15 0.58 -0.03 -1.33 0.00 0.00 177.39 176.48 1n3r h MET 60 N 0.00 0.84 -0.02 3.23 4.05 -1.64 -3.20 114.93 118.19 1n3r h MET 60 Ca 0.00 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1n3r h MET 60 Cb 0.08 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1n3r h MET 60 CO 0.00 1.07 -0.11 0.39 0.23 0.00 0.00 176.91 178.49 1n3r n GLU 61 N -4.16 1.94 -0.27 0.39 -0.58 -0.79 -4.43 120.64 112.74 1n3r n GLU 61 Ca -0.03 -1.54 -0.06 0.00 -0.42 0.00 0.00 57.16 55.11 1n3r n GLU 61 Cb 0.50 -1.47 0.05 0.00 -0.57 0.00 0.00 31.44 29.95 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 3.76 1.25 -0.58 2.62 2.02 -1.62 -1.85 112.91 118.50 1n3r h THR 62 Ca 0.00 -0.73 0.07 0.00 0.77 0.00 0.00 66.41 66.52 1n3r h THR 62 Cb 0.86 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1n3r h THR 62 CO 0.00 0.30 0.28 -0.65 0.37 0.00 0.00 175.52 175.82 1n3r h PRO 63 N 1.04 0.50 -0.46 6.66 0.11 -1.78 0.78 132.00 138.86 1n3r h PRO 63 Ca 0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 1n3r h PRO 63 Cb 0.16 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1n3r h PRO 63 CO -0.03 0.33 0.21 1.25 -0.21 0.00 0.00 178.00 179.56 1n3r h HIS 64 N 0.51 0.67 0.16 0.65 -0.00 -1.81 -1.01 115.15 114.32 1n3r h HIS 64 Ca 0.27 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1n3r h HIS 64 Cb 0.23 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.43 1n3r h HIS 64 CO -0.12 0.54 -0.10 0.00 -0.00 0.00 0.00 177.93 178.25 1n3r h ARG 65 N 0.60 -0.25 -0.53 5.26 3.08 -0.61 0.10 114.38 122.03 1n3r h ARG 65 Ca 0.16 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.26 1n3r h ARG 65 Cb 0.13 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1n3r h ARG 65 CO -0.02 -0.17 0.29 0.82 -1.07 0.00 0.00 179.97 179.82 1n3r h ILE 66 N -0.26 0.99 -0.76 2.04 2.04 -0.77 0.23 117.51 121.02 1n3r h ILE 66 Ca -0.01 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1n3r h ILE 66 Cb 0.22 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1n3r h ILE 66 CO 0.01 0.10 0.47 0.00 0.00 0.00 0.00 178.15 178.73 1n3r h ALA 67 N 1.27 1.00 -0.24 1.87 0.00 -0.87 -1.52 119.26 120.77 1n3r h ALA 67 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1n3r h ALA 67 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1n3r h ALA 67 CO -0.14 0.24 0.05 -0.22 0.00 0.00 0.00 179.25 179.18 1n3r h LYS 68 N 0.90 0.39 -0.55 0.00 3.11 0.30 -2.75 116.57 117.97 1n3r h LYS 68 Ca 0.31 -0.10 0.06 0.00 -2.81 0.00 0.00 60.65 58.11 1n3r h LYS 68 Cb 0.06 -0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.19 1n3r h LYS 68 CO -0.13 0.51 0.26 1.98 -2.81 0.00 0.00 179.45 179.26 1n3r h MET 69 N 0.21 0.48 0.17 1.90 4.05 -0.03 0.11 114.93 121.82 1n3r h MET 69 Ca 0.07 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1n3r h MET 69 Cb 0.30 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1n3r h MET 69 CO 0.00 0.32 -0.08 1.88 0.23 0.00 0.00 176.91 179.26 1n3r h TYR 70 N 0.49 -0.21 0.03 1.39 -1.99 -1.20 -0.07 116.97 115.42 1n3r h TYR 70 Ca 0.25 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.98 1n3r h TYR 70 Cb 0.20 0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.00 1n3r h TYR 70 CO -0.12 -0.10 -0.02 0.28 -0.00 0.00 0.00 178.16 178.20 1n3r h VAL 71 N -0.25 1.40 -0.01 -2.88 2.07 -1.27 -3.25 116.25 112.06 1n3r h VAL 71 Ca -0.02 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1n3r h VAL 71 Cb 0.20 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1n3r h VAL 71 CO 0.04 0.40 -0.60 0.47 0.02 0.00 0.00 177.57 177.89 1n3r n ASP 72 N -4.76 1.27 0.00 0.57 8.00 0.36 -4.55 116.55 117.44 1n3r n ASP 72 Ca -0.09 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1n3r n ASP 72 Cb 0.34 0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 1n3r n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n3r n GLU 73 N -0.84 0.00 0.13 -1.24 1.02 -0.16 -4.73 120.64 114.82 1n3r n GLU 73 Ca 0.08 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.39 1n3r n GLU 73 Cb 0.38 0.00 0.57 0.00 -0.02 0.00 0.00 31.44 32.38 1n3r n GLU 73 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1n3r h ILE 74 N 0.00 0.12 -0.20 -3.67 3.07 -1.46 0.20 117.51 115.57 1n3r h ILE 74 Ca 0.00 0.00 -0.06 0.00 1.55 0.00 0.00 64.86 66.35 1n3r h ILE 74 Cb 0.00 0.40 -0.03 0.00 -0.27 0.00 0.00 36.82 36.92 1n3r h ILE 74 CO 0.00 0.00 -0.07 0.49 -1.05 0.00 0.00 178.15 177.52 1n3r n PHE 75 N -3.17 0.68 0.02 0.16 3.72 -1.23 -3.10 117.46 114.55 1n3r n PHE 75 Ca 0.07 -1.19 0.09 0.00 -0.05 0.00 0.00 57.45 56.37 1n3r n PHE 75 Cb 0.82 -0.33 0.51 0.00 -0.94 0.00 0.00 39.48 39.54 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 1.07 0.31 0.32 4.37 4.64 -0.44 -2.50 113.55 121.31 1n3r h SER 76 Ca 0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1n3r h SER 76 Cb 1.37 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1n3r h SER 76 CO 0.20 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 1n3r n GLY 77 N -1.52 -0.81 0.24 -0.77 0.00 -0.22 -2.68 105.19 99.43 1n3r n GLY 77 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1n3r n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 78 N 0.00 0.71 -8.61 0.99 3.38 -1.54 -3.41 115.31 106.83 1n3r h LEU 78 Ca 0.00 -0.30 -0.66 0.00 0.09 0.00 0.00 57.88 57.01 1n3r h LEU 78 Cb 0.16 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 40.56 1n3r h LEU 78 CO 0.00 1.00 0.06 -0.62 0.09 0.00 0.00 178.44 178.98 1n3r s ASP 79 N -6.83 6.31 0.26 -0.43 2.15 -1.09 -4.92 116.67 112.12 1n3r s ASP 79 Ca -0.08 -0.33 0.19 0.00 0.43 0.00 0.00 52.55 52.75 1n3r s ASP 79 Cb 0.12 -2.30 0.98 0.00 -0.30 0.00 0.00 42.92 41.42 1n3r s ASP 79 CO 0.84 -0.71 1.57 -1.22 -0.17 0.00 0.00 175.17 175.48 1n3r n TYR 80 N 6.11 0.63 0.31 -5.34 4.02 -1.26 -0.38 117.16 121.25 1n3r n TYR 80 Ca -0.03 0.32 0.19 0.00 -0.01 0.00 0.00 57.90 58.37 1n3r n TYR 80 Cb 0.48 -1.01 1.04 0.00 -0.02 0.00 0.00 39.34 39.83 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 2.04 1.32 -0.02 -0.72 0.00 -1.91 0.38 119.26 120.36 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1n3r h ALA 81 CO 0.00 -0.04 -0.06 0.09 0.00 0.00 0.00 179.25 179.24 1n3r n ASN 82 N -3.48 1.80 -4.61 0.00 3.02 0.49 -4.95 115.26 107.53 1n3r n ASN 82 Ca -0.03 -1.53 -0.42 0.00 -0.03 0.00 0.00 54.58 52.57 1n3r n ASN 82 Cb 0.11 0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.32 1.24 -1.78 3.10 7.35 0.13 -4.91 117.46 122.91 1n3r n PHE 83 Ca 0.16 0.57 -0.33 0.00 -0.76 0.00 0.00 57.45 57.10 1n3r n PHE 83 Cb 0.42 -2.24 0.04 0.00 0.35 0.00 0.00 39.48 38.05 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 -1.96 2.86 -0.28 -7.13 0.04 -1.26 -4.97 135.00 122.30 1n3r s PRO 84 Ca 0.62 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 1n3r s PRO 84 Cb -0.57 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1n3r s PRO 84 CO 0.57 -1.19 1.06 0.15 0.04 0.00 0.00 177.00 177.63 1n3r s LYS 85 N -4.13 4.15 -0.11 4.56 1.02 -1.26 -4.94 119.74 119.03 1n3r s LYS 85 Ca 0.66 1.19 -0.15 0.00 0.02 0.00 0.00 55.97 57.70 1n3r s LYS 85 Cb -0.20 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.37 1n3r s LYS 85 CO 0.41 -0.79 0.36 0.42 -0.92 0.00 0.00 175.35 174.84 1n3r s ILE 86 N 3.46 5.22 -0.03 2.17 -1.09 -1.26 -4.99 121.20 124.67 1n3r s ILE 86 Ca 0.45 0.70 -0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1n3r s ILE 86 Cb -0.13 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1n3r s ILE 86 CO 0.11 0.44 0.02 0.42 -1.23 0.00 0.00 174.94 174.70 1n3r s THR 87 N 0.00 0.10 0.37 2.92 -4.23 -1.26 -5.11 115.64 108.43 1n3r s THR 87 Ca 0.21 0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.98 1n3r s THR 87 Cb -0.14 -0.24 -0.07 0.00 1.34 0.00 0.00 72.50 73.39 1n3r s THR 87 CO 0.08 0.15 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.51 1n3r s LEU 88 N 1.32 2.82 -0.02 4.79 1.43 -1.26 -2.73 118.68 125.02 1n3r s LEU 88 Ca -0.06 -1.24 0.03 0.00 -1.03 0.00 0.00 54.13 51.84 1n3r s LEU 88 Cb -0.13 -1.01 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 1n3r s LEU 88 CO -0.03 -0.30 -0.12 0.27 0.23 0.00 0.00 176.35 176.40 1n3r s ILE 89 N -2.64 0.99 0.10 -0.59 -4.36 0.14 -4.94 121.20 109.89 1n3r s ILE 89 Ca 0.34 -0.50 -0.36 0.00 -0.26 0.00 0.00 60.65 59.87 1n3r s ILE 89 Cb 0.05 -0.85 -0.17 0.00 1.25 0.00 0.00 42.46 42.74 1n3r s ILE 89 CO 0.17 0.29 1.13 1.21 0.24 0.00 0.00 174.94 177.99 1n3r n GLU 90 N 3.04 0.71 -1.35 0.37 2.13 -1.26 -1.38 120.64 122.90 1n3r n GLU 90 Ca -0.16 0.25 -0.38 0.00 0.66 0.00 0.00 57.16 57.53 1n3r n GLU 90 Cb 0.55 -1.75 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 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 2.02 6.72 0.24 4.31 5.15 -0.22 -4.60 115.26 128.88 1n3r n ASN 91 Ca 0.18 -2.62 0.11 0.00 -0.60 0.00 0.00 54.58 51.65 1n3r n ASN 91 Cb 0.18 -1.51 0.61 0.00 -0.53 0.00 0.00 39.78 38.53 1n3r n ASN 91 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1n3r h LYS 92 N 5.56 0.00 -0.06 1.20 1.57 -1.86 -1.76 116.57 121.22 1n3r h LYS 92 Ca 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 1n3r h LYS 92 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1n3r h LYS 92 CO 1.79 0.17 0.00 -1.33 -0.57 0.00 0.00 179.45 179.51 1n3r n MET 93 N -3.54 1.47 -3.52 3.15 0.00 -1.26 -4.97 117.12 108.45 1n3r n MET 93 Ca -0.01 -0.70 -0.37 0.00 0.00 0.00 0.00 57.70 56.62 1n3r n MET 93 Cb 0.32 -1.43 0.03 0.00 0.00 0.00 0.00 33.22 32.14 1n3r n MET 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1n3r n LYS 94 N -0.13 -1.84 -3.08 0.03 4.01 -0.66 -4.87 118.16 111.62 1n3r n LYS 94 Ca 0.18 1.30 -0.45 0.00 -0.51 0.00 0.00 58.31 58.84 1n3r n LYS 94 Cb 0.26 -1.98 -0.04 0.00 -0.51 0.00 0.00 35.03 32.76 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 -1.64 4.86 -0.32 -0.18 1.01 -1.26 -4.88 120.40 117.98 1n3r s VAL 95 Ca 0.33 -1.25 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1n3r s VAL 95 Cb -0.03 -4.57 0.41 0.00 0.00 0.00 0.00 36.38 32.19 1n3r s VAL 95 CO 0.87 -1.23 1.47 -0.90 0.00 0.00 0.00 175.10 175.31 1n3r n ASP 96 N 6.20 3.51 -4.36 3.32 5.75 -1.26 -4.04 116.55 125.68 1n3r n ASP 96 Ca 0.01 -2.86 -0.19 0.00 -0.01 0.00 0.00 54.79 51.74 1n3r n ASP 96 Cb 0.45 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.95 1.37 0.24 0.11 0.41 -1.26 -5.03 118.70 112.59 1n3r s GLU 97 Ca 0.33 -1.62 -0.30 0.00 -0.41 0.00 0.00 54.97 52.97 1n3r s GLU 97 Cb 0.27 -1.15 -0.09 0.00 -1.78 0.00 0.00 34.13 31.38 1n3r s GLU 97 CO 0.07 0.17 1.04 0.00 -0.49 0.00 0.00 175.26 176.05 1n3r s MET 98 N -3.65 4.71 -0.18 1.61 0.23 -1.26 -4.35 119.30 116.41 1n3r s MET 98 Ca 0.24 1.66 -0.07 0.00 -1.03 0.00 0.00 55.69 56.49 1n3r s MET 98 Cb -0.00 -3.25 -0.04 0.00 -1.53 0.00 0.00 34.83 30.01 1n3r s MET 98 CO 0.08 0.29 0.06 0.08 -2.03 0.00 0.00 175.02 173.50 1n3r s VAL 99 N -0.94 4.78 -0.06 5.16 1.01 -0.38 -4.93 120.40 125.04 1n3r s VAL 99 Ca 0.44 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1n3r s VAL 99 Cb -0.29 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1n3r s VAL 99 CO 0.36 0.46 -0.16 -0.89 0.00 0.00 0.00 175.10 174.87 1n3r s THR 100 N 0.41 2.88 -0.16 3.92 2.01 -1.26 -2.18 115.64 121.26 1n3r s THR 100 Ca 0.03 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1n3r s THR 100 Cb -0.12 -2.13 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1n3r s THR 100 CO 0.00 0.58 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 1n3r s VAL 101 N -0.48 1.44 0.38 3.82 1.01 0.86 -5.00 120.40 122.44 1n3r s VAL 101 Ca 0.06 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1n3r s VAL 101 Cb -0.12 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 1n3r s VAL 101 CO 0.02 0.29 0.06 0.00 0.00 0.00 0.00 175.10 175.47 1n3r s ARG 102 N 1.51 2.08 -1.50 2.72 1.70 -1.26 -0.86 118.95 123.34 1n3r s ARG 102 Ca 0.02 -1.88 -0.10 0.00 -0.47 0.00 0.00 55.73 53.30 1n3r s ARG 102 Cb -0.14 -1.86 0.07 0.00 -0.57 0.00 0.00 34.95 32.45 1n3r s ARG 102 CO -0.09 0.01 0.80 -0.25 -1.08 0.00 0.00 175.30 174.69 1n3r n ASP 103 N -1.04 -3.09 -4.61 -2.89 8.00 -0.95 -4.90 116.55 107.08 1n3r n ASP 103 Ca -0.03 -0.86 -0.43 0.00 0.71 0.00 0.00 54.79 54.17 1n3r n ASP 103 Cb 0.64 -3.59 -0.02 0.00 -0.02 0.00 0.00 41.12 38.13 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 -3.48 4.13 -0.03 0.53 1.01 -0.13 -4.82 121.20 118.41 1n3r s ILE 104 Ca 0.44 1.18 -0.38 0.00 0.00 0.00 0.00 60.65 61.89 1n3r s ILE 104 Cb -0.23 -4.41 -0.16 0.00 0.01 0.00 0.00 42.46 37.68 1n3r s ILE 104 CO 0.85 -0.82 1.51 0.41 0.00 0.00 0.00 174.94 176.89 1n3r n THR 105 N 6.76 0.13 -4.10 2.92 -1.04 -1.26 -1.25 114.28 116.43 1n3r n THR 105 Ca 0.14 -0.02 -0.26 0.00 -2.04 0.00 0.00 64.05 61.87 1n3r n THR 105 Cb 0.48 -1.04 -0.17 0.00 -1.82 0.00 0.00 70.33 67.78 1n3r n THR 105 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1n3r s LEU 106 N 1.66 1.30 -0.18 -4.42 0.20 -1.00 -4.73 118.68 111.50 1n3r s LEU 106 Ca 0.89 -0.28 -0.01 0.00 0.69 0.00 0.00 54.13 55.42 1n3r s LEU 106 Cb -0.96 -0.80 0.05 0.00 -0.43 0.00 0.00 46.19 44.05 1n3r s LEU 106 CO 0.53 -0.08 -0.04 0.42 -0.29 0.00 0.00 176.35 176.89 1n3r s THR 107 N 1.39 1.10 0.00 3.68 -4.23 -1.26 -0.79 115.64 115.53 1n3r s THR 107 Ca -0.01 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1n3r s THR 107 Cb -0.14 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1n3r s THR 107 CO -0.04 0.04 0.00 -0.24 -0.54 0.00 0.00 174.62 173.84 1n3r n SER 108 N 4.86 1.08 -3.73 3.99 2.88 -0.68 -4.31 113.62 117.72 1n3r n SER 108 Ca -0.11 -0.48 -0.12 0.00 -1.33 0.00 0.00 58.87 56.83 1n3r n SER 108 Cb 0.47 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.80 1n3r n SER 108 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1n3r s THR 109 N -0.65 -0.04 0.22 2.46 2.01 -1.26 -1.86 115.64 116.52 1n3r s THR 109 Ca 0.00 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1n3r s THR 109 Cb 0.00 -0.38 -0.09 0.00 0.01 0.00 0.00 72.50 72.04 1n3r s THR 109 CO 0.00 0.06 1.37 0.00 -0.69 0.00 0.00 174.62 175.36 1n3r h GLU 111 N 5.32 0.00 -0.33 0.00 4.11 -0.40 0.62 114.58 123.89 1n3r h GLU 111 Ca -0.45 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 1n3r h GLU 111 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1n3r h GLU 111 CO 0.78 0.00 -0.29 0.66 0.07 0.00 0.00 179.01 180.23 1n3r h SER 112 N 0.00 0.72 0.00 3.06 4.64 -1.90 -3.39 113.55 116.68 1n3r h SER 112 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1n3r h SER 112 Cb 0.57 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1n3r h SER 112 CO 0.00 0.97 -0.09 1.41 -0.87 0.00 0.00 176.83 178.25 1n3r n HIS 113 N -4.08 0.00 -3.01 4.77 8.25 -1.18 -5.04 115.22 114.92 1n3r n HIS 113 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1n3r n HIS 113 Cb 0.47 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.41 -1.54 -4.41 4.41 3.01 0.20 -5.03 117.46 113.70 1n3r n PHE 114 Ca 0.00 0.59 -0.22 0.00 1.01 0.00 0.00 57.45 58.83 1n3r n PHE 114 Cb 0.00 -3.64 -0.10 0.00 -0.01 0.00 0.00 39.48 35.72 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 -3.20 2.15 0.03 -4.37 1.01 -1.25 -4.92 120.40 109.84 1n3r s VAL 115 Ca 0.18 -2.27 -0.33 0.00 0.00 0.00 0.00 61.98 59.56 1n3r s VAL 115 Cb -0.08 -2.15 -0.12 0.00 0.00 0.00 0.00 36.38 34.03 1n3r s VAL 115 CO 0.44 -0.44 1.80 0.41 0.00 0.00 0.00 175.10 177.32 1n3r n THR 116 N -0.38 0.41 -3.85 3.92 -1.04 -1.26 -2.44 114.28 109.63 1n3r n THR 116 Ca -0.07 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.05 61.50 1n3r n THR 116 Cb 0.60 -1.88 -0.13 0.00 -1.82 0.00 0.00 70.33 67.10 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 3.02 3.43 -0.29 12.58 1.01 -0.78 -1.47 121.20 138.70 1n3r s ILE 117 Ca 0.87 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1n3r s ILE 117 Cb -0.62 -2.79 0.03 0.00 0.01 0.00 0.00 42.46 39.08 1n3r s ILE 117 CO 0.44 0.09 0.04 -0.62 0.00 0.00 0.00 174.94 174.89 1n3r s ASP 118 N 1.40 4.93 0.00 3.58 2.15 0.01 -1.69 116.67 127.05 1n3r s ASP 118 Ca 0.01 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.04 1n3r s ASP 118 Cb -0.17 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 1n3r s ASP 118 CO -0.01 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1n3r n GLY 119 N 4.76 4.27 2.96 2.66 0.00 0.03 -0.23 105.19 119.64 1n3r n GLY 119 Ca -0.14 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 1n3r n GLY 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n3r s LYS 120 N -1.72 0.12 0.21 1.61 2.47 -0.62 -2.37 119.74 119.45 1n3r s LYS 120 Ca 0.00 0.63 0.06 0.00 -1.56 0.00 0.00 55.97 55.10 1n3r s LYS 120 Cb 0.00 -0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.21 1n3r s LYS 120 CO 0.00 -0.26 0.19 0.00 0.16 0.00 0.00 175.35 175.44 1n3r s ALA 121 N 2.06 3.61 -0.07 3.13 0.00 -0.38 -1.39 121.76 128.72 1n3r s ALA 121 Ca -0.01 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1n3r s ALA 121 Cb -0.12 -1.37 0.03 0.00 0.00 0.00 0.00 23.12 21.67 1n3r s ALA 121 CO -0.08 0.35 0.05 0.99 0.00 0.00 0.00 175.76 177.08 1n3r s THR 122 N -1.97 0.05 0.08 0.00 2.01 -0.47 -0.96 115.64 114.39 1n3r s THR 122 Ca 0.32 0.22 0.10 0.00 0.31 0.00 0.00 61.69 62.64 1n3r s THR 122 Cb -0.09 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1n3r s THR 122 CO 0.25 0.12 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.35 1n3r s VAL 123 N 2.10 2.29 0.01 3.82 1.01 -0.04 -1.71 120.40 127.88 1n3r s VAL 123 Ca 0.04 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.37 1n3r s VAL 123 Cb -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1n3r s VAL 123 CO -0.05 0.24 0.27 0.00 0.00 0.00 0.00 175.10 175.57 1n3r s ALA 124 N -0.94 -0.64 0.32 5.51 0.00 -0.79 -0.10 121.76 125.13 1n3r s ALA 124 Ca 0.13 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.06 1n3r s ALA 124 Cb -0.10 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1n3r s ALA 124 CO 0.04 -0.31 0.64 1.52 0.00 0.00 0.00 175.76 177.65 1n3r s TYR 125 N -1.83 0.31 -0.30 0.00 1.13 -0.93 -0.64 117.35 115.09 1n3r s TYR 125 Ca -0.10 -0.78 0.02 0.00 -1.41 0.00 0.00 57.07 54.80 1n3r s TYR 125 Cb -0.04 0.47 0.09 0.00 -1.10 0.00 0.00 41.96 41.38 1n3r s TYR 125 CO 0.01 -1.28 0.03 0.42 -2.51 0.00 0.00 175.55 172.22 1n3r s ILE 126 N -3.19 1.68 -0.27 -3.49 1.01 -0.74 -1.24 121.20 114.96 1n3r s ILE 126 Ca 0.19 -1.78 -0.42 0.00 0.00 0.00 0.00 60.65 58.65 1n3r s ILE 126 Cb -0.03 -2.16 -0.18 0.00 0.01 0.00 0.00 42.46 40.10 1n3r s ILE 126 CO 0.12 -0.49 1.55 -2.65 0.00 0.00 0.00 174.94 173.48 1n3r n PRO 127 N 4.53 0.61 0.00 2.79 -0.02 -1.26 -4.88 135.00 136.77 1n3r n PRO 127 Ca -0.02 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1n3r n PRO 127 Cb 0.42 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 4.02 0.00 -0.03 -0.52 4.81 -1.26 -4.71 118.16 120.47 1n3r n LYS 128 Ca 0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.69 1n3r n LYS 128 Cb 0.07 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.98 1n3r n LYS 128 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1n3r n ASP 129 N 0.00 0.35 -4.33 3.14 8.00 -1.26 -4.88 116.55 117.57 1n3r n ASP 129 Ca 0.00 0.15 -0.23 0.00 0.71 0.00 0.00 54.79 55.43 1n3r n ASP 129 Cb 0.00 0.90 -0.12 0.00 -0.02 0.00 0.00 41.12 41.88 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 -5.38 2.70 -0.06 -2.24 1.04 -1.26 -1.05 113.70 107.45 1n3r s SER 130 Ca -0.07 -0.83 0.04 0.00 0.48 0.00 0.00 55.95 55.58 1n3r s SER 130 Cb 0.09 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1n3r s SER 130 CO 0.84 -0.00 -0.17 -0.69 0.98 0.00 0.00 173.24 174.19 1n3r s VAL 131 N -1.84 2.78 0.20 5.02 1.01 -0.48 -4.67 120.40 122.43 1n3r s VAL 131 Ca 0.14 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1n3r s VAL 131 Cb -0.07 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1n3r s VAL 131 CO 0.06 0.58 0.37 -0.51 0.00 0.00 0.00 175.10 175.60 1n3r s ILE 132 N -0.51 5.23 0.33 2.22 2.07 -1.26 0.26 121.20 129.53 1n3r s ILE 132 Ca 0.07 -0.52 -0.29 0.00 -1.41 0.00 0.00 60.65 58.51 1n3r s ILE 132 Cb -0.12 -3.76 -0.10 0.00 0.13 0.00 0.00 42.46 38.62 1n3r s ILE 132 CO 0.01 -0.20 1.24 -0.83 -1.91 0.00 0.00 174.94 173.26 1n3r s GLY 133 N -3.33 3.01 0.15 1.50 0.00 -1.10 -4.91 107.32 102.63 1n3r s GLY 133 Ca 0.37 1.14 -0.17 0.00 0.00 0.00 0.00 44.72 46.07 1n3r s GLY 133 CO 0.29 1.77 1.72 1.41 0.00 0.00 0.00 173.10 178.30 1n3r h LEU 134 N 3.42 -0.02 -2.70 0.66 3.38 -1.97 -1.79 115.31 116.29 1n3r h LEU 134 Ca -0.48 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 1n3r h LEU 134 Cb 1.22 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1n3r h LEU 134 CO 0.65 0.02 -0.01 0.77 0.09 0.00 0.00 178.44 179.97 1n3r h SER 135 N 0.16 0.00 -0.44 -0.43 4.64 -2.00 -2.15 113.55 113.33 1n3r h SER 135 Ca 0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1n3r h SER 135 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1n3r h SER 135 CO -0.23 0.01 0.10 0.11 -0.87 0.00 0.00 176.83 175.95 1n3r h LYS 136 N 0.00 0.78 0.49 4.77 1.79 -1.70 0.40 116.57 123.11 1n3r h LYS 136 Ca -0.00 -0.16 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 1n3r h LYS 136 Cb 0.05 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1n3r h LYS 136 CO 0.00 0.72 -0.24 0.82 -1.08 0.00 0.00 179.45 179.68 1n3r h ILE 137 N 0.75 0.41 -0.96 1.86 2.04 -1.47 0.10 117.51 120.25 1n3r h ILE 137 Ca 0.16 -0.40 0.30 0.00 1.00 0.00 0.00 64.86 65.93 1n3r h ILE 137 Cb 0.31 0.56 -0.15 0.00 -0.74 0.00 0.00 36.82 36.80 1n3r h ILE 137 CO 0.00 0.06 0.41 0.78 0.00 0.00 0.00 178.15 179.39 1n3r h ASN 138 N -0.93 0.23 -0.25 1.72 2.35 -1.52 0.13 115.58 117.30 1n3r h ASN 138 Ca -0.07 0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 1n3r h ASN 138 Cb 0.60 0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1n3r h ASN 138 CO 0.11 -0.19 -0.56 0.03 -1.65 0.00 0.00 177.43 175.17 1n3r h ARG 139 N 0.22 0.83 -0.71 0.81 3.08 -0.55 -2.97 114.38 115.09 1n3r h ARG 139 Ca 0.67 -0.55 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1n3r h ARG 139 Cb 1.50 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.60 1n3r h ARG 139 CO -0.67 1.18 0.25 0.82 -1.07 0.00 0.00 179.97 180.48 1n3r h ILE 140 N 0.59 1.25 0.08 2.04 2.04 0.18 -1.37 117.51 122.33 1n3r h ILE 140 Ca 0.00 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1n3r h ILE 140 Cb 1.17 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1n3r h ILE 140 CO 0.12 0.33 -0.05 0.58 0.00 0.00 0.00 178.15 179.13 1n3r h VAL 141 N 1.04 0.00 -0.29 1.67 2.07 -1.24 -2.76 116.25 116.74 1n3r h VAL 141 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.84 1n3r h VAL 141 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1n3r h VAL 141 CO -0.01 0.00 0.62 1.56 0.02 0.00 0.00 177.57 179.75 1n3r h GLN 142 N -0.12 0.00 0.53 1.57 1.08 -1.47 -1.53 115.11 115.18 1n3r h GLN 142 Ca -0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1n3r h GLN 142 Cb 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1n3r h GLN 142 CO 0.01 0.00 -0.26 0.35 -0.95 0.00 0.00 178.83 177.98 1n3r h PHE 143 N 0.00 -0.66 0.00 2.96 3.57 -0.95 -2.57 116.94 119.29 1n3r h PHE 143 Ca 0.14 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1n3r h PHE 143 Cb 1.37 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.33 1n3r h PHE 143 CO 0.00 -0.36 0.00 1.19 -2.23 0.00 0.00 178.31 176.91 1n3r n PHE 144 N -5.26 0.31 0.07 0.41 3.72 -0.69 -2.25 117.46 113.76 1n3r n PHE 144 Ca -0.10 0.12 -0.06 0.00 -0.05 0.00 0.00 57.45 57.36 1n3r n PHE 144 Cb 0.31 -0.69 -0.10 0.00 -0.94 0.00 0.00 39.48 38.06 1n3r n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1n3r h ALA 145 N 2.43 0.40 -0.25 4.37 0.00 -1.20 -3.36 119.26 121.65 1n3r h ALA 145 Ca 0.00 -0.88 -0.70 0.00 0.00 0.00 0.00 54.91 53.33 1n3r h ALA 145 Cb 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1n3r h ALA 145 CO 0.00 1.20 3.19 1.04 0.00 0.00 0.00 179.25 184.68 1n3r n GLN 146 N -3.38 3.72 -3.61 0.00 1.13 -0.95 -4.16 117.38 110.12 1n3r n GLN 146 Ca -0.00 -2.72 -0.16 0.00 -1.94 0.00 0.00 57.00 52.18 1n3r n GLN 146 Cb 0.91 -2.88 -0.07 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 1.44 0.90 0.16 -1.09 0.52 -1.18 -1.06 118.95 118.64 1n3r s ARG 147 Ca 0.58 0.13 -0.32 0.00 -0.52 0.00 0.00 55.73 55.61 1n3r s ARG 147 Cb 0.16 0.42 -0.11 0.00 0.52 0.00 0.00 34.95 35.94 1n3r s ARG 147 CO -0.07 -0.27 1.79 -2.30 0.02 0.00 0.00 175.30 174.48 1n3r n PRO 148 N 1.14 2.78 -4.31 3.54 -0.02 -1.26 -4.04 135.00 132.82 1n3r n PRO 148 Ca -0.20 1.01 -0.25 0.00 -2.02 0.00 0.00 63.50 62.04 1n3r n PRO 148 Cb 0.57 -2.88 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 1n3r n PRO 148 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n3r n GLN 149 N 4.99 0.64 -3.55 -0.52 1.13 0.65 -4.58 117.38 116.13 1n3r n GLN 149 Ca 0.17 -3.30 -0.26 0.00 -1.94 0.00 0.00 57.00 51.67 1n3r n GLN 149 Cb 0.36 1.65 -0.15 0.00 0.11 0.00 0.00 30.24 32.21 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 -2.96 -0.12 0.24 5.09 1.01 -1.26 0.30 120.40 122.70 1n3r s VAL 150 Ca 0.17 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1n3r s VAL 150 Cb 0.01 -0.81 0.35 0.00 0.00 0.00 0.00 36.38 35.93 1n3r s VAL 150 CO 0.12 -0.51 1.24 1.67 0.00 0.00 0.00 175.10 177.62 1n3r n GLN 151 N 5.27 -0.07 -0.28 2.72 7.27 -1.26 0.53 117.38 131.56 1n3r n GLN 151 Ca -0.06 1.21 0.12 0.00 0.07 0.00 0.00 57.00 58.34 1n3r n GLN 151 Cb 0.45 -1.87 0.37 0.00 2.41 0.00 0.00 30.24 31.60 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 0.69 0.06 3.69 3.07 -1.99 -0.79 114.58 119.32 1n3r h GLU 152 Ca 0.44 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 59.16 1n3r h GLU 152 Cb 0.81 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1n3r h GLU 152 CO -0.78 0.46 -0.43 -0.09 -1.40 0.00 0.00 179.01 176.77 1n3r h ARG 153 N 0.72 0.13 -0.93 2.33 2.43 -0.35 -3.19 114.38 115.52 1n3r h ARG 153 Ca 0.46 -0.23 0.25 0.00 -0.81 0.00 0.00 59.98 59.65 1n3r h ARG 153 Cb 0.71 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 30.22 1n3r h ARG 153 CO -0.22 1.11 0.42 1.25 -1.51 0.00 0.00 179.97 181.03 1n3r h LEU 154 N -0.71 0.34 -0.85 3.80 5.85 -0.58 0.82 115.31 123.98 1n3r h LEU 154 Ca -0.08 0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1n3r h LEU 154 Cb 1.31 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1n3r h LEU 154 CO 0.06 -0.05 -0.06 0.74 -0.34 0.00 0.00 178.44 178.78 1n3r h THR 155 N 0.36 1.25 -0.35 1.05 2.02 -1.26 -1.79 112.91 114.20 1n3r h THR 155 Ca 0.61 -1.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.59 1n3r h THR 155 Cb 1.24 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1n3r h THR 155 CO -0.57 0.38 -0.13 1.56 0.37 0.00 0.00 175.52 177.13 1n3r h GLN 156 N 0.73 0.72 -0.24 6.66 1.08 0.49 -2.40 115.11 122.14 1n3r h GLN 156 Ca 0.13 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 1n3r h GLN 156 Cb 0.54 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1n3r h GLN 156 CO 0.03 0.90 0.08 1.96 -0.95 0.00 0.00 178.83 180.85 1n3r h GLN 157 N 0.50 0.38 -0.18 1.46 4.20 -0.49 -2.37 115.11 118.61 1n3r h GLN 157 Ca 0.08 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1n3r h GLN 157 Cb 0.66 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.33 1n3r h GLN 157 CO 0.04 0.45 -0.19 0.82 -0.67 0.00 0.00 178.83 179.28 1n3r h ILE 158 N 0.23 0.50 0.24 2.54 1.08 -1.29 -1.91 117.51 118.90 1n3r h ILE 158 Ca 0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1n3r h ILE 158 Cb 0.22 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1n3r h ILE 158 CO -0.00 0.00 -0.30 0.25 -0.69 0.00 0.00 178.15 177.40 1n3r h LEU 159 N -0.22 -0.85 -0.22 1.44 5.85 -1.30 -2.25 115.31 117.76 1n3r h LEU 159 Ca 0.11 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1n3r h LEU 159 Cb 0.39 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1n3r h LEU 159 CO -0.31 -0.38 -0.47 0.40 -0.34 0.00 0.00 178.44 177.34 1n3r h ILE 160 N -0.56 0.00 -0.97 4.05 1.08 -1.35 -1.26 117.51 118.50 1n3r h ILE 160 Ca -0.03 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.58 1n3r h ILE 160 Cb 0.50 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.10 1n3r h ILE 160 CO -0.07 0.00 -0.43 0.00 -0.69 0.00 0.00 178.15 176.96 1n3r h ALA 161 N -0.36 -0.01 0.11 1.87 0.00 -1.33 0.01 119.26 119.54 1n3r h ALA 161 Ca 0.04 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1n3r h ALA 161 Cb 0.55 1.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1n3r h ALA 161 CO -0.43 -0.70 -0.08 -0.07 0.00 0.00 0.00 179.25 177.96 1n3r h LEU 162 N -0.02 -0.21 -0.77 0.00 3.38 -0.88 -1.77 115.31 115.05 1n3r h LEU 162 Ca 0.30 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.46 1n3r h LEU 162 Cb 0.56 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.25 1n3r h LEU 162 CO -0.96 -0.13 0.16 1.56 0.09 0.00 0.00 178.44 179.16 1n3r h GLN 163 N -0.19 0.22 0.40 1.13 4.20 0.12 0.16 115.11 121.14 1n3r h GLN 163 Ca -0.00 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1n3r h GLN 163 Cb 0.17 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1n3r h GLN 163 CO -0.01 0.14 -0.22 1.15 -0.67 0.00 0.00 178.83 179.23 1n3r h THR 164 N 0.22 0.00 -1.01 -0.54 2.02 -0.78 0.29 112.91 113.12 1n3r h THR 164 Ca 0.45 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.87 1n3r h THR 164 Cb 0.81 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.13 1n3r h THR 164 CO -0.57 0.00 0.65 -0.07 0.37 0.00 0.00 175.52 175.90 1n3r h LEU 165 N -0.57 0.44 -0.12 2.58 3.38 -0.45 0.25 115.31 120.82 1n3r h LEU 165 Ca -0.05 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1n3r h LEU 165 Cb 0.45 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1n3r h LEU 165 CO 0.08 0.12 -0.53 0.18 0.09 0.00 0.00 178.44 178.37 1n3r n LEU 166 N -4.58 0.72 -3.41 1.67 4.77 0.47 -4.99 117.00 111.65 1n3r n LEU 166 Ca 0.23 -0.15 -0.20 0.00 -0.03 0.00 0.00 56.01 55.86 1n3r n LEU 166 Cb 0.82 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.79 1n3r n LEU 166 CO 0.27 0.16 0.01 0.61 -1.33 0.00 0.00 177.39 177.12 1n3r n GLY 167 N 1.47 -1.11 3.53 -0.72 0.00 0.90 -4.67 105.19 104.59 1n3r n GLY 167 Ca 0.07 0.53 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 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 -3.38 0.00 -0.13 2.61 2.01 -0.46 -4.80 115.64 111.49 1n3r s THR 168 Ca 0.42 0.00 0.17 0.00 0.31 0.00 0.00 61.69 62.60 1n3r s THR 168 Cb -0.10 -1.00 -0.23 0.00 0.01 0.00 0.00 72.50 71.18 1n3r s THR 168 CO 0.79 0.00 0.42 0.59 -0.69 0.00 0.00 174.62 175.73 1n3r n ASN 169 N -0.08 0.37 -3.35 3.53 3.02 -1.26 -4.35 115.26 113.14 1n3r n ASN 169 Ca -0.07 0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 1n3r n ASN 169 Cb 0.60 0.74 -0.07 0.00 -0.61 0.00 0.00 39.78 40.44 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 -2.77 1.16 -4.31 6.41 3.02 -1.26 -3.12 115.26 114.39 1n3r n ASN 170 Ca -0.20 -2.37 -0.19 0.00 -0.03 0.00 0.00 54.58 51.80 1n3r n ASN 170 Cb 0.98 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 39.43 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 5.93 1.59 -0.11 2.41 1.01 -1.26 -1.79 120.40 128.18 1n3r s VAL 171 Ca 0.46 -2.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1n3r s VAL 171 Cb 0.10 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.67 1n3r s VAL 171 CO 0.19 -0.51 0.26 0.00 0.00 0.00 0.00 175.10 175.04 1n3r s ALA 172 N -2.62 -0.59 -0.02 5.51 0.00 0.18 -1.95 121.76 122.27 1n3r s ALA 172 Ca 0.17 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.22 1n3r s ALA 172 Cb -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1n3r s ALA 172 CO 0.05 -0.21 -0.17 0.08 0.00 0.00 0.00 175.76 175.51 1n3r s VAL 173 N 1.30 1.35 -0.16 0.00 1.01 -0.97 -1.88 120.40 121.05 1n3r s VAL 173 Ca -0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1n3r s VAL 173 Cb -0.10 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.22 1n3r s VAL 173 CO -0.09 0.38 0.18 -0.55 0.00 0.00 0.00 175.10 175.02 1n3r s SER 174 N -0.30 1.35 -0.12 3.32 0.15 -0.69 -0.36 113.70 117.04 1n3r s SER 174 Ca 0.04 -0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.55 1n3r s SER 174 Cb -0.08 0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1n3r s SER 174 CO -0.00 -0.30 0.01 -0.63 1.20 0.00 0.00 173.24 173.51 1n3r s ILE 175 N 2.28 4.34 -0.33 6.45 1.01 0.62 -1.37 121.20 134.21 1n3r s ILE 175 Ca 0.05 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1n3r s ILE 175 Cb -0.15 -2.87 0.10 0.00 0.01 0.00 0.00 42.46 39.55 1n3r s ILE 175 CO -0.09 0.55 0.10 -0.62 0.00 0.00 0.00 174.94 174.87 1n3r s ASP 176 N -0.33 4.20 0.26 3.58 3.68 -0.49 -0.93 116.67 126.63 1n3r s ASP 176 Ca 0.07 -1.88 0.06 0.00 2.13 0.00 0.00 52.55 52.93 1n3r s ASP 176 Cb -0.12 -1.09 -0.05 0.00 -1.45 0.00 0.00 42.92 40.20 1n3r s ASP 176 CO 0.02 -0.39 -0.05 0.00 0.13 0.00 0.00 175.17 174.88 1n3r s ALA 177 N 1.30 2.15 -0.18 3.66 0.00 -0.62 -1.58 121.76 126.48 1n3r s ALA 177 Ca 0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 1n3r s ALA 177 Cb -0.18 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1n3r s ALA 177 CO -0.18 -0.11 -0.04 0.08 0.00 0.00 0.00 175.76 175.51 1n3r s VAL 178 N -3.12 3.69 -0.27 0.00 1.01 0.68 -1.32 120.40 121.06 1n3r s VAL 178 Ca 0.28 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1n3r s VAL 178 Cb 0.04 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1n3r s VAL 178 CO 0.10 0.46 0.24 -1.00 0.00 0.00 0.00 175.10 174.90 1n3r s HIS 179 N 0.86 3.25 -1.95 5.22 3.76 -1.26 -0.81 115.29 124.36 1n3r s HIS 179 Ca -0.01 0.24 0.32 0.00 -0.15 0.00 0.00 55.06 55.46 1n3r s HIS 179 Cb -0.15 -2.42 1.85 0.00 1.11 0.00 0.00 32.58 32.98 1n3r s HIS 179 CO 0.01 -0.13 2.20 0.66 -0.85 0.00 0.00 174.74 176.64 1n3r n TYR 180 N 4.95 0.00 1.60 1.40 4.02 -0.54 -1.67 117.16 126.92 1n3r n TYR 180 Ca -0.12 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.91 1n3r n TYR 180 Cb 0.52 -0.03 0.71 0.00 -0.02 0.00 0.00 39.34 40.52 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 -0.82 0.00 -0.09 0.00 0.31 -0.67 -4.49 118.33 112.57 1n3r n VAL 182 Ca 0.18 -0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 64.07 1n3r n VAL 182 Cb 0.24 0.76 -0.07 0.00 -0.91 0.00 0.00 33.84 33.85 1n3r n VAL 182 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1n3r n LYS 183 N -1.08 0.40 -0.74 5.55 4.81 -0.93 0.49 118.16 126.67 1n3r n LYS 183 Ca 0.00 0.16 0.08 0.00 -0.87 0.00 0.00 58.31 57.67 1n3r n LYS 183 Cb 0.00 -1.20 0.36 0.00 0.02 0.00 0.00 35.03 34.20 1n3r n LYS 183 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1n3r n ALA 184 N -3.66 3.56 -3.46 3.14 0.00 -0.74 -4.20 120.51 115.15 1n3r n ALA 184 Ca -0.36 -2.04 -0.11 0.00 0.00 0.00 0.00 53.44 50.93 1n3r n ALA 184 Cb 0.78 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.75 1.09 7.95 0.00 3.52 -1.23 -5.01 118.95 122.52 1n3r s ARG 185 Ca 0.50 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1n3r s ARG 185 Cb 0.39 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 34.28 1n3r s ARG 185 CO 0.14 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.57 1n3r n GLY 186 N -0.22 3.83 0.29 8.12 0.00 -1.26 -1.59 105.19 114.36 1n3r n GLY 186 Ca -0.14 -0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 0.13 -6.15 -0.61 6.09 -1.86 -3.47 117.51 111.64 1n3r h ILE 187 Ca 0.00 -0.40 -0.41 0.00 -1.37 0.00 0.00 64.86 62.68 1n3r h ILE 187 Cb 0.00 1.34 0.10 0.00 0.47 0.00 0.00 36.82 38.73 1n3r h ILE 187 CO 0.00 0.03 -0.93 0.54 -3.07 0.00 0.00 178.15 174.72 1n3r n ARG 188 N -3.20 -1.38 -3.00 2.19 1.74 -0.62 -4.94 116.66 107.45 1n3r n ARG 188 Ca -0.01 0.50 -0.43 0.00 -0.77 0.00 0.00 57.85 57.14 1n3r n ARG 188 Cb 0.23 -4.31 -0.05 0.00 -1.02 0.00 0.00 32.46 27.31 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 -3.48 6.29 0.00 0.55 -1.08 0.18 -4.88 116.67 114.25 1n3r s ASP 189 Ca 0.47 -0.58 0.27 0.00 -0.52 0.00 0.00 52.55 52.19 1n3r s ASP 189 Cb -0.16 -2.36 1.59 0.00 -1.46 0.00 0.00 42.92 40.53 1n3r s ASP 189 CO 0.85 -1.04 1.94 0.00 0.52 0.00 0.00 175.17 177.44 1n3r n ALA 190 N 6.80 2.49 0.00 3.66 0.00 -1.26 -3.95 120.51 128.24 1n3r n ALA 190 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1n3r n ALA 190 Cb 0.47 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1n3r n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n3r n THR 191 N -1.01 0.00 -0.89 0.00 -2.24 -1.26 -5.09 114.28 103.79 1n3r n THR 191 Ca 0.20 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.65 1n3r n THR 191 Cb 0.10 -0.88 0.12 0.00 -2.10 0.00 0.00 70.33 67.57 1n3r n THR 191 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1n3r n SER 192 N -1.85 -0.90 -3.68 3.42 3.41 -1.25 -5.06 113.62 107.72 1n3r n SER 192 Ca 0.00 0.43 -0.14 0.00 -0.26 0.00 0.00 58.87 58.90 1n3r n SER 192 Cb 0.44 -1.32 -0.08 0.00 -0.26 0.00 0.00 64.21 62.99 1n3r n SER 192 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n3r s ALA 193 N -2.33 -1.36 -0.15 7.33 0.00 -1.26 -4.82 121.76 119.17 1n3r s ALA 193 Ca 0.63 1.48 -0.04 0.00 0.00 0.00 0.00 51.96 54.03 1n3r s ALA 193 Cb -0.25 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1n3r s ALA 193 CO 0.61 -0.27 0.00 0.99 0.00 0.00 0.00 175.76 177.10 1n3r s THR 194 N 0.12 4.27 -0.34 0.00 2.01 -0.44 -4.96 115.64 116.30 1n3r s THR 194 Ca -0.01 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1n3r s THR 194 Cb -0.04 -2.87 0.10 0.00 0.01 0.00 0.00 72.50 69.70 1n3r s THR 194 CO 0.02 0.51 0.06 -0.89 -0.69 0.00 0.00 174.62 173.62 1n3r s THR 195 N 0.04 2.43 0.17 -0.82 2.01 -1.26 -1.59 115.64 116.61 1n3r s THR 195 Ca 0.02 -2.22 0.03 0.00 0.31 0.00 0.00 61.69 59.83 1n3r s THR 195 Cb -0.13 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1n3r s THR 195 CO 0.02 -0.55 0.29 0.42 -0.69 0.00 0.00 174.62 174.11 1n3r s THR 196 N 0.96 5.29 0.10 -0.82 -4.23 -0.11 -4.94 115.64 111.89 1n3r s THR 196 Ca 0.08 -0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1n3r s THR 196 Cb -0.20 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 69.90 1n3r s THR 196 CO -0.07 -0.13 0.25 0.42 -0.54 0.00 0.00 174.62 174.55 1n3r s THR 197 N -1.79 0.12 -0.28 3.99 -4.23 -1.26 -0.27 115.64 111.92 1n3r s THR 197 Ca 0.34 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 1n3r s THR 197 Cb -0.11 -1.27 0.13 0.00 1.34 0.00 0.00 72.50 72.59 1n3r s THR 197 CO 0.28 -0.55 0.26 -0.44 -0.54 0.00 0.00 174.62 173.64 1n3r s SER 198 N -2.81 1.92 0.08 3.99 0.01 0.52 -4.98 113.70 112.44 1n3r s SER 198 Ca 0.04 -0.78 -0.14 0.00 1.31 0.00 0.00 55.95 56.37 1n3r s SER 198 Cb 0.04 0.37 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 1n3r s SER 198 CO -0.11 -0.39 0.49 -0.76 0.41 0.00 0.00 173.24 172.88 1n3r s LEU 199 N 2.32 4.41 0.17 2.44 1.43 -1.26 -2.30 118.68 125.89 1n3r s LEU 199 Ca 0.09 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1n3r s LEU 199 Cb -0.14 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 1n3r s LEU 199 CO -0.32 0.20 -0.05 -0.83 0.23 0.00 0.00 176.35 175.59 1n3r s GLY 200 N -1.45 1.20 0.00 -3.19 0.00 -0.82 -4.65 107.32 98.40 1n3r s GLY 200 Ca 0.32 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1n3r s GLY 200 CO 0.17 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.30 1n3r n GLY 201 N -0.25 2.76 0.26 0.20 0.00 -1.18 -0.73 105.19 106.25 1n3r n GLY 201 Ca -0.08 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1n3r n GLY 201 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n3r h LEU 202 N 0.00 0.00 -0.35 0.99 3.38 -1.93 0.50 115.31 117.89 1n3r h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n3r h LEU 202 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1n3r h LEU 202 CO 0.00 0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.12 1n3r n PHE 203 N -3.84 0.65 -0.12 1.13 3.72 0.10 -2.30 117.46 116.80 1n3r n PHE 203 Ca -0.02 0.23 -0.23 0.00 -0.05 0.00 0.00 57.45 57.38 1n3r n PHE 203 Cb 0.20 -0.88 -0.10 0.00 -0.94 0.00 0.00 39.48 37.77 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 -2.07 0.55 0.00 -1.08 4.81 -0.08 -4.05 118.16 116.23 1n3r n LYS 204 Ca 0.04 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1n3r n LYS 204 Cb 0.28 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1n3r n LYS 204 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1n3r n SER 205 N -3.76 0.00 -4.47 3.14 3.41 -0.03 -4.82 113.62 107.08 1n3r n SER 205 Ca -0.46 0.30 -0.50 0.00 -0.26 0.00 0.00 58.87 57.94 1n3r n SER 205 Cb 0.88 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1n3r n SER 205 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1n3r n SER 206 N -1.60 2.28 -0.11 4.04 2.88 -0.97 -4.85 113.62 115.29 1n3r n SER 206 Ca 0.00 0.42 -0.05 0.00 -1.33 0.00 0.00 58.87 57.91 1n3r n SER 206 Cb 0.00 -1.29 0.02 0.00 -0.75 0.00 0.00 64.21 62.19 1n3r n SER 206 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1n3r h GLN 207 N 12.43 0.09 0.19 -1.46 5.75 -1.88 -0.46 115.11 129.77 1n3r h GLN 207 Ca -0.29 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1n3r h GLN 207 Cb 1.31 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.80 1n3r h GLN 207 CO 1.01 0.06 -0.47 -0.97 -2.65 0.00 0.00 178.83 175.81 1n3r h ASN 208 N 0.09 -1.38 0.25 -0.69 -1.24 -1.91 -2.50 115.58 108.19 1n3r h ASN 208 Ca 0.18 0.14 0.01 0.00 0.71 0.00 0.00 56.30 57.34 1n3r h ASN 208 Cb 0.25 0.50 -0.04 0.00 0.73 0.00 0.00 38.32 39.77 1n3r h ASN 208 CO -0.31 -0.55 -0.43 0.74 -1.29 0.00 0.00 177.43 175.60 1n3r h THR 209 N -0.75 0.15 -0.98 -3.57 2.02 -1.75 -2.27 112.91 105.75 1n3r h THR 209 Ca -0.00 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.48 1n3r h THR 209 Cb 0.74 0.15 -0.18 0.00 -1.74 0.00 0.00 68.15 67.12 1n3r h THR 209 CO -0.22 0.00 0.13 -1.14 0.37 0.00 0.00 175.52 174.66 1n3r n ARG 210 N -5.49 -0.07 0.15 6.66 0.63 -0.20 -0.57 116.66 117.77 1n3r n ARG 210 Ca -0.09 1.44 0.12 0.00 -0.92 0.00 0.00 57.85 58.40 1n3r n ARG 210 Cb 0.40 -2.35 0.08 0.00 0.45 0.00 0.00 32.46 31.03 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 0.00 -0.25 -0.14 3.86 -1.20 -3.00 115.15 114.42 1n3r h HIS 211 Ca 0.65 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.83 1n3r h HIS 211 Cb 1.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.90 1n3r h HIS 211 CO -0.39 0.00 0.02 0.93 0.86 0.00 0.00 177.93 179.35 1n3r h GLU 212 N 0.00 0.37 0.02 2.45 5.08 -0.25 -0.36 114.58 121.89 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 1.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1n3r h GLU 212 CO 0.00 0.38 -0.01 0.35 -1.00 0.00 0.00 179.01 178.74 1n3r h PHE 213 N 0.37 -0.02 -0.11 4.33 3.57 -1.57 -3.29 116.94 120.22 1n3r h PHE 213 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1n3r h PHE 213 Cb 0.21 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1n3r h PHE 213 CO 0.01 0.63 0.07 -0.07 -2.23 0.00 0.00 178.31 176.72 1n3r h LEU 214 N -0.97 0.09 -0.61 0.59 3.38 -1.38 -1.70 115.31 114.72 1n3r h LEU 214 Ca -0.00 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1n3r h LEU 214 Cb 0.66 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1n3r h LEU 214 CO 0.00 0.07 -0.61 -0.09 0.09 0.00 0.00 178.44 177.90 1n3r h ARG 215 N 0.11 0.29 -0.53 1.13 2.43 -1.21 -3.03 114.38 113.57 1n3r h ARG 215 Ca 0.04 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1n3r h ARG 215 Cb 0.04 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1n3r h ARG 215 CO -0.01 0.81 0.00 0.00 -1.51 0.00 0.00 179.97 179.27 1n3r n ALA 216 N -2.48 2.58 -2.58 2.80 0.00 -0.69 -4.92 120.51 115.23 1n3r n ALA 216 Ca -0.03 -0.92 -0.26 0.00 0.00 0.00 0.00 53.44 52.24 1n3r n ALA 216 Cb 0.63 -0.98 -0.02 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 -1.48 5.06 -0.17 0.00 1.01 -0.89 -4.79 120.40 119.14 1n3r s VAL 217 Ca 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1n3r s VAL 217 Cb 0.19 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1n3r s VAL 217 CO 0.20 -0.53 0.08 -1.14 0.00 0.00 0.00 175.10 173.71 1n3r n ARG 218 N -1.62 -2.70 -3.80 2.72 0.00 -1.26 -5.03 116.66 104.96 1n3r n ARG 218 Ca -0.03 2.25 -0.14 0.00 -0.00 0.00 0.00 57.85 59.94 1n3r n ARG 218 Cb 0.55 -3.87 -0.15 0.00 0.00 0.00 0.00 32.46 29.00 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 -0.81 -0.05 -2.39 -0.14 3.76 -1.26 -5.17 115.29 109.23 1n3r s HIS 219 Ca -0.09 0.22 0.29 0.00 -0.15 0.00 0.00 55.06 55.33 1n3r s HIS 219 Cb 0.01 -0.10 1.24 0.00 1.11 0.00 0.00 32.58 34.83 1n3r s HIS 219 CO 0.53 -0.08 1.85 1.58 -0.85 0.00 0.00 174.74 177.77