#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2j s ILE 3 N 0.00 4.68 0.92 0.00 1.01 -1.26 -5.03 121.20 121.51 1n2j s ILE 3 Ca 0.00 1.51 -0.10 0.00 0.00 0.00 0.00 60.65 62.06 1n2j s ILE 3 Cb 0.00 -4.05 0.15 0.00 0.01 0.00 0.00 42.46 38.57 1n2j s ILE 3 CO 0.00 0.44 1.15 -2.16 0.00 0.00 0.00 174.94 174.37 1n2j s PRO 4 N -0.49 0.97 0.32 2.79 0.04 -1.26 -4.93 135.00 132.43 1n2j s PRO 4 Ca 0.35 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1n2j s PRO 4 Cb -0.21 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 1n2j s PRO 4 CO 0.22 -2.67 1.27 0.00 0.04 0.00 0.00 177.00 175.87 1n2j s ALA 5 N -2.64 3.48 -0.09 8.56 0.00 -1.26 -4.89 121.76 124.92 1n2j s ALA 5 Ca 0.67 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 1n2j s ALA 5 Cb -0.23 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1n2j s ALA 5 CO 0.58 -0.56 -0.04 0.12 0.00 0.00 0.00 175.76 175.87 1n2j s PHE 6 N -1.10 1.07 -0.46 0.00 5.36 -1.26 -5.06 117.98 116.53 1n2j s PHE 6 Ca 0.48 -0.44 -0.11 0.00 -0.96 0.00 0.00 56.93 55.90 1n2j s PHE 6 Cb -0.38 -1.00 0.09 0.00 -0.34 0.00 0.00 43.02 41.39 1n2j s PHE 6 CO 0.50 -0.41 0.34 -1.01 -1.46 0.00 0.00 175.22 173.18 1n2j s HIS 7 N 1.78 3.33 0.63 10.12 3.76 -1.26 -5.07 115.29 128.57 1n2j s HIS 7 Ca 0.04 -1.45 -0.18 0.00 -0.15 0.00 0.00 55.06 53.33 1n2j s HIS 7 Cb -0.13 -3.23 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 1n2j s HIS 7 CO -0.06 -0.89 0.96 -2.30 -0.85 0.00 0.00 174.74 171.60 1n2j n PRO 8 N 5.02 0.80 -0.87 8.40 -0.02 -1.26 -2.23 135.00 144.84 1n2j n PRO 8 Ca -0.11 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1n2j n PRO 8 Cb 0.42 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1n2j n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2j n GLY 9 N 1.27 0.61 3.41 -1.23 0.00 -1.26 -4.98 105.19 103.01 1n2j n GLY 9 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1n2j n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2j s GLU 10 N -0.39 1.51 -0.40 1.61 2.02 -0.95 -5.02 118.70 117.08 1n2j s GLU 10 Ca 0.00 -1.73 -0.23 0.00 0.02 0.00 0.00 54.97 53.02 1n2j s GLU 10 Cb 0.00 -1.21 0.02 0.00 0.10 0.00 0.00 34.13 33.04 1n2j s GLU 10 CO 0.00 0.10 0.79 -1.17 0.02 0.00 0.00 175.26 175.00 1n2j s LEU 11 N -3.42 4.17 -0.29 1.80 2.96 -1.25 -4.16 118.68 118.50 1n2j s LEU 11 Ca 0.28 0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.24 1n2j s LEU 11 Cb 0.02 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1n2j s LEU 11 CO 0.11 -0.81 0.19 0.20 -1.32 0.00 0.00 176.35 174.71 1n2j s ASN 12 N 1.97 5.95 -0.19 3.68 0.01 0.50 -4.97 114.94 121.89 1n2j s ASN 12 Ca 0.31 -0.11 -0.08 0.00 -0.71 0.00 0.00 52.86 52.27 1n2j s ASN 12 Cb -0.13 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1n2j s ASN 12 CO 0.19 -0.08 0.08 -0.69 -1.51 0.00 0.00 177.10 175.09 1n2j s VAL 13 N 1.74 4.96 -0.04 1.60 1.01 -1.26 -1.57 120.40 126.85 1n2j s VAL 13 Ca 0.07 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1n2j s VAL 13 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1n2j s VAL 13 CO 0.10 0.46 -0.12 -0.31 0.00 0.00 0.00 175.10 175.23 1n2j s TYR 14 N 0.34 1.29 -0.09 5.22 1.51 -0.42 -4.98 117.35 120.21 1n2j s TYR 14 Ca 0.05 -0.36 0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1n2j s TYR 14 Cb -0.12 -0.90 -0.23 0.00 -0.11 0.00 0.00 41.96 40.60 1n2j s TYR 14 CO -0.00 -0.14 0.21 0.43 -1.11 0.00 0.00 175.55 174.93 1n2j n SER 15 N 3.30 1.09 -4.70 2.29 7.64 -1.26 -1.00 113.62 120.98 1n2j n SER 15 Ca -0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.28 1n2j n SER 15 Cb 0.53 1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 65.01 1n2j n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n2j s ALA 16 N -2.77 3.34 0.22 -0.43 0.00 -1.26 -3.82 121.76 117.04 1n2j s ALA 16 Ca -0.07 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.04 1n2j s ALA 16 Cb 0.08 -3.16 0.31 0.00 0.00 0.00 0.00 23.12 20.34 1n2j s ALA 16 CO 0.68 -0.32 1.78 -1.35 0.00 0.00 0.00 175.76 176.55 1n2j h PRO 17 N 6.95 0.56 -0.96 0.00 0.11 -1.92 -1.60 132.00 135.13 1n2j h PRO 17 Ca -0.37 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.79 1n2j h PRO 17 Cb 1.18 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1n2j h PRO 17 CO 0.78 0.37 0.62 0.78 -0.21 0.00 0.00 178.00 180.34 1n2j h GLY 18 N 0.57 1.47 0.84 -0.55 0.00 -1.96 -0.04 103.07 103.40 1n2j h GLY 18 Ca 0.33 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1n2j h GLY 18 CO -0.26 0.25 -0.03 -0.55 0.00 0.00 0.00 176.54 175.95 1n2j h ASP 19 N 1.04 -0.07 0.19 0.19 3.32 -1.70 -0.45 116.42 118.93 1n2j h ASP 19 Ca 0.44 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 1n2j h ASP 19 Cb 0.32 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1n2j h ASP 19 CO -0.19 0.10 -0.34 1.62 -1.72 0.00 0.00 179.24 178.71 1n2j h VAL 20 N -0.25 1.28 -0.13 -1.35 3.04 -1.16 -0.97 116.25 116.71 1n2j h VAL 20 Ca -0.01 -1.32 -0.00 0.00 -1.01 0.00 0.00 66.70 64.35 1n2j h VAL 20 Cb 0.21 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1n2j h VAL 20 CO 0.01 0.40 0.07 0.00 -1.01 0.00 0.00 177.57 177.04 1n2j h ALA 21 N 1.46 0.16 -0.31 3.17 0.00 -0.85 0.53 119.26 123.42 1n2j h ALA 21 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n2j h ALA 21 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1n2j h ALA 21 CO 0.05 -0.29 0.12 -0.44 0.00 0.00 0.00 179.25 178.69 1n2j h ASP 22 N 0.10 0.43 -0.63 0.00 3.32 -0.74 -1.11 116.42 117.79 1n2j h ASP 22 Ca 0.04 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1n2j h ASP 22 Cb 0.08 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1n2j h ASP 22 CO -0.01 0.48 0.17 0.58 -1.72 0.00 0.00 179.24 178.74 1n2j h VAL 23 N 0.35 1.25 -0.26 -1.35 2.07 -1.10 -0.59 116.25 116.62 1n2j h VAL 23 Ca 0.10 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1n2j h VAL 23 Cb 0.19 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1n2j h VAL 23 CO -0.01 0.34 0.15 -1.28 0.02 0.00 0.00 177.57 176.79 1n2j h SER 24 N 0.92 0.33 0.09 0.57 0.87 -0.76 0.98 113.55 116.55 1n2j h SER 24 Ca 0.20 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1n2j h SER 24 Cb 0.34 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1n2j h SER 24 CO -0.00 0.31 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.42 1n2j h ARG 25 N 0.32 -0.20 -0.58 2.24 2.43 -1.03 -1.09 114.38 116.47 1n2j h ARG 25 Ca 0.09 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1n2j h ARG 25 Cb 0.05 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 1n2j h ARG 25 CO -0.02 -0.13 0.29 0.00 -1.51 0.00 0.00 179.97 178.60 1n2j h ALA 26 N 0.69 0.75 -0.62 2.80 0.00 -0.86 -2.29 119.26 119.73 1n2j h ALA 26 Ca 0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1n2j h ALA 26 Cb 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1n2j h ALA 26 CO -0.03 -0.05 0.24 -0.07 0.00 0.00 0.00 179.25 179.33 1n2j h LEU 27 N 0.56 0.87 -1.75 0.00 3.38 -0.57 -2.19 115.31 115.60 1n2j h LEU 27 Ca 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1n2j h LEU 27 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1n2j h LEU 27 CO -0.18 0.81 0.09 -0.09 0.09 0.00 0.00 178.44 179.16 1n2j h ARG 28 N 0.87 0.25 0.00 1.13 2.43 -0.81 0.12 114.38 118.38 1n2j h ARG 28 Ca 0.21 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1n2j h ARG 28 Cb 0.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1n2j h ARG 28 CO -0.01 0.20 -0.00 1.28 -1.51 0.00 0.00 179.97 179.92 1n2j n LEU 29 N -4.48 0.06 -0.75 3.80 4.77 -0.87 -3.30 117.00 116.24 1n2j n LEU 29 Ca -0.00 0.50 0.13 0.00 -0.03 0.00 0.00 56.01 56.61 1n2j n LEU 29 Cb 0.10 -0.49 0.28 0.00 -2.33 0.00 0.00 43.42 40.98 1n2j n LEU 29 CO 0.35 -0.01 0.72 0.35 -1.33 0.00 0.00 177.39 177.47 1n2j n THR 30 N -1.55 0.00 0.00 -5.08 -2.24 0.40 -4.94 114.28 100.88 1n2j n THR 30 Ca 0.07 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1n2j n THR 30 Cb 0.35 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1n2j n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2j n GLY 31 N 1.28 1.24 3.66 3.38 0.00 -1.13 -5.08 105.19 108.53 1n2j n GLY 31 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1n2j n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n2j s ARG 32 N -0.05 2.38 -0.25 1.61 1.81 -1.06 -4.88 118.95 118.50 1n2j s ARG 32 Ca 0.00 -1.17 -0.05 0.00 -1.72 0.00 0.00 55.73 52.80 1n2j s ARG 32 Cb 0.00 -2.32 -0.00 0.00 -0.45 0.00 0.00 34.95 32.18 1n2j s ARG 32 CO 0.00 0.44 0.00 1.03 -0.68 0.00 0.00 175.30 176.09 1n2j s ARG 33 N -3.08 3.27 -0.20 3.54 0.52 0.07 -4.30 118.95 118.78 1n2j s ARG 33 Ca 0.28 -0.71 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 1n2j s ARG 33 Cb -0.09 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1n2j s ARG 33 CO 0.19 -0.29 0.99 0.08 0.02 0.00 0.00 175.30 176.29 1n2j s VAL 34 N 1.48 4.74 -0.14 3.52 1.01 -1.26 -1.38 120.40 128.37 1n2j s VAL 34 Ca 0.04 1.95 -0.03 0.00 0.00 0.00 0.00 61.98 63.94 1n2j s VAL 34 Cb -0.15 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1n2j s VAL 34 CO -0.01 -0.11 -0.03 -0.04 0.00 0.00 0.00 175.10 174.91 1n2j s MET 35 N 2.79 3.48 -0.13 2.72 1.00 -0.48 -0.00 119.30 128.68 1n2j s MET 35 Ca 0.44 -0.50 -0.01 0.00 0.00 0.00 0.00 55.69 55.63 1n2j s MET 35 Cb -0.16 -2.88 -0.02 0.00 0.00 0.00 0.00 34.83 31.78 1n2j s MET 35 CO 0.10 0.36 -0.12 -1.17 0.00 0.00 0.00 175.02 174.19 1n2j s LEU 36 N 0.03 2.80 -0.38 -0.03 2.96 -0.53 0.10 118.68 123.63 1n2j s LEU 36 Ca 0.01 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 1n2j s LEU 36 Cb -0.13 -1.63 0.11 0.00 0.50 0.00 0.00 46.19 45.03 1n2j s LEU 36 CO 0.02 0.17 0.11 -0.69 -1.32 0.00 0.00 176.35 174.65 1n2j s VAL 37 N 0.30 2.13 0.14 1.68 1.01 0.64 -1.19 120.40 125.12 1n2j s VAL 37 Ca -0.09 -2.46 -0.30 0.00 0.00 0.00 0.00 61.98 59.13 1n2j s VAL 37 Cb -0.15 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.61 1n2j s VAL 37 CO 0.05 -0.67 1.04 -2.84 0.00 0.00 0.00 175.10 172.68 1n2j s PRO 38 N 0.70 4.64 0.19 2.72 0.02 -1.26 -1.73 135.00 140.28 1n2j s PRO 38 Ca 0.13 1.59 -0.07 0.00 0.02 0.00 0.00 61.00 62.67 1n2j s PRO 38 Cb -0.21 -3.33 -0.02 0.00 0.02 0.00 0.00 34.50 30.97 1n2j s PRO 38 CO -0.08 0.13 0.26 0.95 -0.33 0.00 0.00 177.00 177.93 1n2j s THR 39 N -0.09 0.04 -0.25 0.99 -4.23 -0.56 -4.92 115.64 106.62 1n2j s THR 39 Ca 0.48 -1.63 0.11 0.00 -1.18 0.00 0.00 61.69 59.47 1n2j s THR 39 Cb -0.26 -2.15 0.48 0.00 1.34 0.00 0.00 72.50 71.91 1n2j s THR 39 CO 0.32 -0.16 1.39 0.23 -0.54 0.00 0.00 174.62 175.86 1n2j n MET 40 N -0.26 1.86 0.00 3.99 2.81 -1.26 -1.83 117.12 122.43 1n2j n MET 40 Ca -0.03 -3.14 0.00 0.00 -1.81 0.00 0.00 57.70 52.72 1n2j n MET 40 Cb 0.64 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1n2j n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n2j n GLY 41 N -1.08 -1.32 3.63 3.03 0.00 -1.26 -4.54 105.19 103.64 1n2j n GLY 41 Ca 0.28 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 1n2j n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2j n ALA 42 N 0.79 -2.08 -1.81 4.61 0.00 -1.26 -4.87 120.51 115.89 1n2j n ALA 42 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1n2j n ALA 42 Cb 0.00 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 1n2j n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n2j s LEU 43 N -6.53 4.38 0.35 0.00 1.43 -1.26 -4.90 118.68 112.15 1n2j s LEU 43 Ca 0.06 2.79 0.04 0.00 -1.03 0.00 0.00 54.13 55.99 1n2j s LEU 43 Cb -0.01 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1n2j s LEU 43 CO 0.80 -0.71 0.15 -1.38 0.23 0.00 0.00 176.35 175.44 1n2j s HIS 44 N -0.58 1.73 0.51 0.29 -3.43 -1.26 -5.00 115.29 107.53 1n2j s HIS 44 Ca 0.55 -1.33 0.33 0.00 -0.80 0.00 0.00 55.06 53.81 1n2j s HIS 44 Cb -0.43 -1.01 1.46 0.00 -1.43 0.00 0.00 32.58 31.18 1n2j s HIS 44 CO 0.51 -0.42 1.77 0.93 -2.00 0.00 0.00 174.74 175.53 1n2j h GLU 45 N 2.01 0.09 -0.21 -0.38 4.39 -1.98 0.34 114.58 118.84 1n2j h GLU 45 Ca -0.34 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1n2j h GLU 45 Cb 1.26 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1n2j h GLU 45 CO 0.54 0.06 0.11 0.78 -1.16 0.00 0.00 179.01 179.33 1n2j h GLY 46 N 0.09 0.31 1.33 -3.84 0.00 -1.91 -1.17 103.07 97.87 1n2j h GLY 46 Ca 0.62 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.75 1n2j h GLY 46 CO -0.10 0.14 0.14 0.45 0.00 0.00 0.00 176.54 177.17 1n2j h HIS 47 N 0.22 0.87 -0.01 5.60 3.86 -0.75 -2.33 115.15 122.62 1n2j h HIS 47 Ca 0.07 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1n2j h HIS 47 Cb 0.08 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1n2j h HIS 47 CO -0.03 0.73 -0.19 -0.07 0.86 0.00 0.00 177.93 179.22 1n2j h LEU 48 N 0.82 0.01 -0.75 2.43 3.38 -0.79 -1.04 115.31 119.37 1n2j h LEU 48 Ca 0.18 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1n2j h LEU 48 Cb 0.29 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1n2j h LEU 48 CO -0.00 0.21 -0.28 0.00 0.09 0.00 0.00 178.44 178.46 1n2j h ALA 49 N 1.79 0.93 -0.42 1.53 0.00 -0.67 0.13 119.26 122.55 1n2j h ALA 49 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1n2j h ALA 49 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1n2j h ALA 49 CO 0.03 0.62 0.12 -0.07 0.00 0.00 0.00 179.25 179.94 1n2j h LEU 50 N 0.56 0.63 -0.32 0.00 3.38 -1.05 -1.31 115.31 117.19 1n2j h LEU 50 Ca 0.07 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1n2j h LEU 50 Cb 0.76 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1n2j h LEU 50 CO 0.06 0.68 0.20 0.58 0.09 0.00 0.00 178.44 180.06 1n2j h VAL 51 N 0.54 1.07 -0.29 1.22 2.07 -0.89 -1.70 116.25 118.26 1n2j h VAL 51 Ca 0.13 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1n2j h VAL 51 Cb 0.29 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1n2j h VAL 51 CO -0.00 0.08 -0.02 0.03 0.02 0.00 0.00 177.57 177.67 1n2j h ARG 52 N 0.42 0.46 -0.65 1.57 3.08 -0.60 0.14 114.38 118.79 1n2j h ARG 52 Ca 0.12 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1n2j h ARG 52 Cb -0.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1n2j h ARG 52 CO -0.04 0.50 0.07 0.00 -1.07 0.00 0.00 179.97 179.43 1n2j h ALA 53 N 1.54 0.89 -0.27 0.04 0.00 -0.76 -2.51 119.26 118.20 1n2j h ALA 53 Ca 0.09 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1n2j h ALA 53 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n2j h ALA 53 CO 0.01 0.67 -0.22 0.00 0.00 0.00 0.00 179.25 179.71 1n2j h ALA 54 N 1.04 0.39 -0.65 0.00 0.00 -0.59 -3.20 119.26 116.24 1n2j h ALA 54 Ca 0.19 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1n2j h ALA 54 Cb 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1n2j h ALA 54 CO 0.02 0.35 0.43 -0.22 0.00 0.00 0.00 179.25 179.83 1n2j h LYS 55 N 0.35 0.64 0.00 0.00 3.64 -0.87 -2.62 116.57 117.71 1n2j h LYS 55 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1n2j h LYS 55 Cb 0.78 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1n2j h LYS 55 CO 0.06 0.42 0.00 2.89 -2.27 0.00 0.00 179.45 180.55 1n2j n ARG 56 N -4.48 0.17 -2.10 1.90 1.85 -0.96 -4.70 116.66 108.34 1n2j n ARG 56 Ca 0.09 0.35 -0.42 0.00 -1.00 0.00 0.00 57.85 56.86 1n2j n ARG 56 Cb 0.23 -1.79 -0.03 0.00 -1.05 0.00 0.00 32.46 29.82 1n2j n ARG 56 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1n2j s VAL 57 N -3.22 3.57 0.24 8.89 1.01 -0.99 -4.94 120.40 124.97 1n2j s VAL 57 Ca 0.06 0.87 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 1n2j s VAL 57 Cb 0.10 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 1n2j s VAL 57 CO 0.41 -0.03 1.39 -2.65 0.00 0.00 0.00 175.10 174.22 1n2j n PRO 58 N 6.12 2.00 -0.99 2.72 -0.02 -1.26 -1.28 135.00 142.28 1n2j n PRO 58 Ca 0.15 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1n2j n PRO 58 Cb 0.43 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1n2j n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2j n GLY 59 N 2.05 0.52 3.76 -1.23 0.00 -1.26 -4.74 105.19 104.29 1n2j n GLY 59 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1n2j n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n2j s SER 60 N -2.16 5.79 -0.10 1.61 1.04 -0.41 -0.75 113.70 118.72 1n2j s SER 60 Ca 0.00 2.47 -0.00 0.00 0.48 0.00 0.00 55.95 58.90 1n2j s SER 60 Cb 0.00 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.53 1n2j s SER 60 CO 0.00 -1.19 -0.07 0.54 0.98 0.00 0.00 173.24 173.50 1n2j s VAL 61 N -1.47 0.94 -0.18 5.02 0.11 -0.48 -4.80 120.40 119.55 1n2j s VAL 61 Ca 0.67 -0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.30 1n2j s VAL 61 Cb -0.33 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1n2j s VAL 61 CO 0.39 0.35 0.41 -0.69 -3.33 0.00 0.00 175.10 172.22 1n2j s VAL 62 N 1.53 5.20 -0.23 2.04 1.01 -1.26 -1.39 120.40 127.30 1n2j s VAL 62 Ca 0.01 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 62.68 1n2j s VAL 62 Cb -0.13 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1n2j s VAL 62 CO -0.06 0.27 0.03 -0.69 0.00 0.00 0.00 175.10 174.65 1n2j s VAL 63 N 1.13 3.97 -0.22 2.92 1.01 0.11 -2.29 120.40 127.03 1n2j s VAL 63 Ca 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1n2j s VAL 63 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1n2j s VAL 63 CO 0.08 0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 1n2j s VAL 64 N 1.50 3.42 0.03 2.92 1.01 -0.22 -0.26 120.40 128.81 1n2j s VAL 64 Ca 0.06 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1n2j s VAL 64 Cb -0.15 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1n2j s VAL 64 CO 0.01 0.42 0.41 -0.94 0.00 0.00 0.00 175.10 175.00 1n2j s SER 65 N 1.47 6.75 -0.23 3.32 1.04 -0.71 -0.93 113.70 124.42 1n2j s SER 65 Ca 0.06 0.91 -0.00 0.00 0.48 0.00 0.00 55.95 57.40 1n2j s SER 65 Cb -0.14 -2.23 0.06 0.00 0.10 0.00 0.00 66.02 63.81 1n2j s SER 65 CO -0.03 0.26 -0.02 -0.63 0.98 0.00 0.00 173.24 173.80 1n2j s ILE 66 N -1.21 1.26 -0.26 -1.02 1.01 0.49 -1.50 121.20 119.97 1n2j s ILE 66 Ca 0.28 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1n2j s ILE 66 Cb -0.16 -1.61 0.14 0.00 0.01 0.00 0.00 42.46 40.84 1n2j s ILE 66 CO 0.15 -0.16 0.53 0.12 0.00 0.00 0.00 174.94 175.59 1n2j s PHE 67 N 1.51 -1.19 -0.65 3.97 5.36 -0.76 -4.19 117.98 122.03 1n2j s PHE 67 Ca -0.04 1.68 -0.26 0.00 -0.96 0.00 0.00 56.93 57.35 1n2j s PHE 67 Cb -0.18 0.47 0.04 0.00 -0.34 0.00 0.00 43.02 43.00 1n2j s PHE 67 CO -0.07 -0.69 1.16 0.08 -1.46 0.00 0.00 175.22 174.23 1n2j s VAL 68 N 2.75 3.99 -0.54 3.12 1.01 -1.26 -4.37 120.40 125.11 1n2j s VAL 68 Ca 0.06 0.46 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 1n2j s VAL 68 Cb -0.14 -4.77 0.02 0.00 0.00 0.00 0.00 36.38 31.49 1n2j s VAL 68 CO -0.17 -1.53 1.35 0.21 0.00 0.00 0.00 175.10 174.96 1n2j s ASN 69 N 3.34 6.25 0.54 3.32 2.47 -1.26 -4.92 114.94 124.68 1n2j s ASN 69 Ca 0.35 0.33 0.26 0.00 0.42 0.00 0.00 52.86 54.23 1n2j s ASN 69 Cb -0.10 -2.55 1.52 0.00 -1.45 0.00 0.00 41.25 38.68 1n2j s ASN 69 CO 0.18 -1.60 2.13 -0.65 -3.72 0.00 0.00 177.10 173.45 1n2j h PRO 70 N 10.58 0.00 0.00 0.43 0.11 -1.97 -2.83 132.00 138.32 1n2j h PRO 70 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1n2j h PRO 70 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1n2j h PRO 70 CO 1.16 0.08 -0.00 1.98 -0.21 0.00 0.00 178.00 181.01 1n2j h MET 71 N 0.00 0.00 -0.39 1.05 4.05 -1.91 -2.03 114.93 115.70 1n2j h MET 71 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1n2j h MET 71 Cb 0.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 1n2j h MET 71 CO 0.01 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.15 1n2j n GLN 72 N -3.11 2.48 -3.36 0.39 10.64 -1.07 -4.18 117.38 119.17 1n2j n GLN 72 Ca -0.02 -2.24 -0.38 0.00 -1.83 0.00 0.00 57.00 52.53 1n2j n GLN 72 Cb 0.15 -1.51 -0.06 0.00 -0.86 0.00 0.00 30.24 27.95 1n2j n GLN 72 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1n2j s PHE 73 N -1.50 3.59 1.10 2.61 0.40 -0.77 -4.72 117.98 118.69 1n2j s PHE 73 Ca 0.39 0.94 -0.12 0.00 -0.60 0.00 0.00 56.93 57.54 1n2j s PHE 73 Cb 0.23 -2.48 0.25 0.00 0.51 0.00 0.00 43.02 41.53 1n2j s PHE 73 CO 0.32 0.33 1.06 0.20 0.70 0.00 0.00 175.22 177.82 1n2j s GLY 74 N 0.04 1.58 0.53 4.36 0.00 -1.26 -4.71 107.32 107.86 1n2j s GLY 74 Ca 0.25 -0.01 0.36 0.00 0.00 0.00 0.00 44.72 45.32 1n2j s GLY 74 CO 0.12 0.64 2.10 0.00 0.00 0.00 0.00 173.10 175.95 1n2j h ALA 75 N -2.40 1.00 -0.00 3.20 0.00 -1.97 0.12 119.26 119.21 1n2j h ALA 75 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1n2j h ALA 75 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1n2j h ALA 75 CO 0.49 0.00 -0.42 0.41 0.00 0.00 0.00 179.25 179.74 1n2j n GLY 76 N -1.07 0.10 3.72 0.00 0.00 -1.26 -5.01 105.19 101.66 1n2j n GLY 76 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1n2j n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n2j s GLY 77 N -1.83 2.07 -0.81 -0.02 0.00 0.03 -4.95 107.32 101.81 1n2j s GLY 77 Ca 0.04 0.70 -0.06 0.00 0.00 0.00 0.00 44.72 45.40 1n2j s GLY 77 CO 0.37 1.10 0.70 -0.35 0.00 0.00 0.00 173.10 174.92 1n2j s ASP 78 N -2.41 6.08 0.13 1.64 -1.08 -1.26 -4.65 116.67 115.11 1n2j s ASP 78 Ca 0.70 -3.15 -0.25 0.00 -0.52 0.00 0.00 52.55 49.33 1n2j s ASP 78 Cb -0.25 -2.00 -0.03 0.00 -1.46 0.00 0.00 42.92 39.18 1n2j s ASP 78 CO 0.50 -0.36 1.62 0.25 0.52 0.00 0.00 175.17 177.70 1n2j h LEU 79 N 6.88 -0.86 -2.02 -1.34 5.85 -1.92 -2.53 115.31 119.37 1n2j h LEU 79 Ca 0.09 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1n2j h LEU 79 Cb 0.93 0.37 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1n2j h LEU 79 CO 0.80 -0.33 -0.05 0.44 -0.34 0.00 0.00 178.44 178.96 1n2j h ASP 80 N -0.37 0.00 1.65 1.25 3.32 -2.03 -2.12 116.42 118.11 1n2j h ASP 80 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1n2j h ASP 80 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1n2j h ASP 80 CO -0.30 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.26 1n2j h ALA 81 N 1.95 1.00 -2.08 3.45 0.00 -1.87 -3.46 119.26 118.25 1n2j h ALA 81 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1n2j h ALA 81 Cb 0.09 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.93 1n2j h ALA 81 CO 0.01 0.00 0.71 0.98 0.00 0.00 0.00 179.25 180.94 1n2j n TYR 82 N -2.74 2.05 -1.76 0.00 9.36 -0.80 -4.89 117.16 118.38 1n2j n TYR 82 Ca 0.04 0.37 -0.41 0.00 3.32 0.00 0.00 57.90 61.22 1n2j n TYR 82 Cb 0.46 -2.48 -0.01 0.00 -0.63 0.00 0.00 39.34 36.67 1n2j n TYR 82 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1n2j s PRO 83 N 0.93 4.11 -0.21 2.98 0.04 -1.26 -5.01 135.00 136.59 1n2j s PRO 83 Ca 0.81 2.60 -0.02 0.00 0.04 0.00 0.00 61.00 64.43 1n2j s PRO 83 Cb -0.77 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 30.82 1n2j s PRO 83 CO 0.41 -0.65 0.03 1.03 0.04 0.00 0.00 177.00 177.86 1n2j s ARG 84 N -0.53 0.80 -0.49 4.56 0.52 -1.26 -4.44 118.95 118.11 1n2j s ARG 84 Ca 0.63 -0.54 0.08 0.00 -0.52 0.00 0.00 55.73 55.38 1n2j s ARG 84 Cb -0.48 -2.18 0.28 0.00 0.52 0.00 0.00 34.95 33.09 1n2j s ARG 84 CO 0.49 -0.65 0.69 0.25 0.02 0.00 0.00 175.30 176.09 1n2j n THR 85 N 4.98 0.82 0.04 0.02 -2.24 -1.26 -4.99 114.28 111.66 1n2j n THR 85 Ca -0.09 -4.69 -0.11 0.00 -2.27 0.00 0.00 64.05 56.89 1n2j n THR 85 Cb 0.46 -1.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.04 1n2j n THR 85 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1n2j h PRO 86 N 3.73 -0.38 -0.43 -0.78 0.13 -1.98 0.24 132.00 132.53 1n2j h PRO 86 Ca 0.12 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1n2j h PRO 86 Cb 0.78 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1n2j h PRO 86 CO 0.63 -0.25 0.25 -0.44 -0.23 0.00 0.00 178.00 177.95 1n2j h ASP 87 N -0.39 0.52 -0.46 1.44 3.45 -1.99 -0.69 116.42 118.29 1n2j h ASP 87 Ca 0.07 -0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.39 1n2j h ASP 87 Cb 0.50 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 1n2j h ASP 87 CO -0.27 0.44 0.01 -0.78 -1.57 0.00 0.00 179.24 177.08 1n2j h ASP 88 N 0.56 0.84 0.23 6.45 1.82 -1.94 -1.74 116.42 122.63 1n2j h ASP 88 Ca 0.15 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.57 1n2j h ASP 88 Cb 0.02 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1n2j h ASP 88 CO -0.03 0.89 -0.11 0.44 -1.61 0.00 0.00 179.24 178.83 1n2j h ASP 89 N 0.81 -0.26 -0.17 2.28 3.32 -0.03 -1.94 116.42 120.44 1n2j h ASP 89 Ca 0.16 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1n2j h ASP 89 Cb 0.46 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1n2j h ASP 89 CO 0.02 -0.13 0.12 -0.07 -1.72 0.00 0.00 179.24 177.45 1n2j h LEU 90 N -0.37 0.05 -0.38 1.55 3.38 -1.01 -0.69 115.31 117.84 1n2j h LEU 90 Ca -0.03 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1n2j h LEU 90 Cb 0.28 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1n2j h LEU 90 CO 0.05 0.03 -0.45 0.00 0.09 0.00 0.00 178.44 178.16 1n2j h ALA 91 N 1.91 0.56 -0.41 1.53 0.00 -0.95 -1.19 119.26 120.71 1n2j h ALA 91 Ca 0.08 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1n2j h ALA 91 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1n2j h ALA 91 CO -0.01 0.68 0.12 1.96 0.00 0.00 0.00 179.25 182.01 1n2j h GLN 92 N 0.70 0.64 -0.86 0.00 4.20 -0.40 -1.05 115.11 118.35 1n2j h GLN 92 Ca 0.04 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1n2j h GLN 92 Cb 1.04 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 1n2j h GLN 92 CO 0.10 0.64 0.49 -0.07 -0.67 0.00 0.00 178.83 179.32 1n2j h LEU 93 N 0.52 1.05 -0.44 1.46 3.38 -1.08 -1.11 115.31 119.10 1n2j h LEU 93 Ca 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1n2j h LEU 93 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1n2j h LEU 93 CO -0.00 0.84 0.24 0.03 0.09 0.00 0.00 178.44 179.63 1n2j h ARG 94 N 1.19 0.62 -0.09 1.13 3.08 -1.05 -1.15 114.38 118.09 1n2j h ARG 94 Ca 0.30 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.31 1n2j h ARG 94 Cb -0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1n2j h ARG 94 CO -0.05 0.50 0.08 0.00 -1.07 0.00 0.00 179.97 179.42 1n2j h ALA 95 N 1.08 1.94 -0.01 0.04 0.00 -0.56 -0.55 119.26 121.20 1n2j h ALA 95 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n2j h ALA 95 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1n2j h ALA 95 CO -0.02 -0.12 -0.21 0.39 0.00 0.00 0.00 179.25 179.28 1n2j n GLU 96 N -4.27 0.84 -0.86 0.00 -0.58 -0.48 -4.94 120.64 110.36 1n2j n GLU 96 Ca -0.01 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 1n2j n GLU 96 Cb 0.19 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1n2j n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n2j n GLY 97 N 1.32 0.48 3.74 0.62 0.00 -0.21 -5.02 105.19 106.11 1n2j n GLY 97 Ca 0.13 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1n2j n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2j s VAL 98 N -2.00 3.50 -0.12 1.61 1.01 -0.51 -4.95 120.40 118.96 1n2j s VAL 98 Ca 0.00 1.25 0.22 0.00 0.00 0.00 0.00 61.98 63.44 1n2j s VAL 98 Cb 0.00 -3.80 -0.20 0.00 0.00 0.00 0.00 36.38 32.38 1n2j s VAL 98 CO 0.00 0.19 0.68 -0.62 0.00 0.00 0.00 175.10 175.35 1n2j n GLU 99 N 2.61 0.64 -4.16 2.72 1.02 -1.25 -3.83 120.64 118.39 1n2j n GLU 99 Ca 0.05 -0.05 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1n2j n GLU 99 Cb 0.44 -1.65 -0.16 0.00 -0.02 0.00 0.00 31.44 30.05 1n2j n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n2j s ILE 100 N -3.38 0.49 -0.11 -3.67 1.01 -0.97 -0.37 121.20 114.21 1n2j s ILE 100 Ca -0.05 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1n2j s ILE 100 Cb 0.12 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 42.08 1n2j s ILE 100 CO 0.86 0.20 -0.20 0.00 0.00 0.00 0.00 174.94 175.80 1n2j s ALA 101 N 0.76 1.99 -0.32 9.38 0.00 -0.61 -1.05 121.76 131.91 1n2j s ALA 101 Ca -0.10 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 1n2j s ALA 101 Cb -0.13 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.16 1n2j s ALA 101 CO 0.00 0.09 0.10 0.12 0.00 0.00 0.00 175.76 176.07 1n2j s PHE 102 N 0.67 3.19 -0.59 0.00 5.36 -0.11 -1.30 117.98 125.20 1n2j s PHE 102 Ca -0.12 -1.07 0.06 0.00 -0.96 0.00 0.00 56.93 54.85 1n2j s PHE 102 Cb -0.16 -2.29 0.25 0.00 -0.34 0.00 0.00 43.02 40.48 1n2j s PHE 102 CO 0.03 -0.62 0.70 0.25 -1.46 0.00 0.00 175.22 174.12 1n2j n THR 103 N 4.87 1.73 -1.84 0.12 -2.24 -0.17 -0.38 114.28 116.37 1n2j n THR 103 Ca -0.14 -4.97 -0.33 0.00 -2.27 0.00 0.00 64.05 56.35 1n2j n THR 103 Cb 0.47 -2.07 0.03 0.00 -2.10 0.00 0.00 70.33 66.66 1n2j n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1n2j s PRO 104 N -2.20 2.99 0.53 -0.78 0.04 -1.25 -4.47 135.00 129.87 1n2j s PRO 104 Ca 0.39 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 1n2j s PRO 104 Cb 0.15 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 1n2j s PRO 104 CO -0.03 -1.08 0.82 0.95 0.04 0.00 0.00 177.00 177.69 1n2j s THR 105 N -2.45 3.93 0.24 1.26 -4.23 -1.26 -4.88 115.64 108.25 1n2j s THR 105 Ca 0.65 -0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 60.98 1n2j s THR 105 Cb -0.18 -3.52 0.24 0.00 1.34 0.00 0.00 72.50 70.38 1n2j s THR 105 CO 0.41 -0.48 1.90 0.74 -0.54 0.00 0.00 174.62 176.65 1n2j h THR 106 N 0.05 1.26 -0.85 3.99 2.02 -1.97 -2.24 112.91 115.17 1n2j h THR 106 Ca -0.46 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1n2j h THR 106 Cb 1.25 -0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1n2j h THR 106 CO 0.60 0.27 0.51 0.00 0.37 0.00 0.00 175.52 177.27 1n2j h ALA 107 N 1.33 1.30 -0.07 6.16 0.00 -1.93 0.24 119.26 126.29 1n2j h ALA 107 Ca 0.34 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1n2j h ALA 107 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1n2j h ALA 107 CO -0.07 0.60 -0.51 0.00 0.00 0.00 0.00 179.25 179.27 1n2j h ALA 108 N 1.39 1.01 0.12 0.00 0.00 -1.80 -1.91 119.26 118.07 1n2j h ALA 108 Ca 0.30 -0.48 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 1n2j h ALA 108 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1n2j h ALA 108 CO -0.06 0.66 -1.32 0.52 0.00 0.00 0.00 179.25 179.05 1n2j h MET 109 N 0.14 0.26 -2.19 0.00 2.86 -0.89 -3.38 114.93 111.74 1n2j h MET 109 Ca 0.00 -0.44 -0.58 0.00 -2.06 0.00 0.00 59.70 56.63 1n2j h MET 109 Cb 0.96 0.16 -0.41 0.00 0.06 0.00 0.00 31.60 32.36 1n2j h MET 109 CO 0.08 1.18 -0.75 0.66 1.06 0.00 0.00 176.91 179.14 1n2j n TYR 110 N -3.50 2.93 0.31 -0.22 4.02 0.80 -4.90 117.16 116.60 1n2j n TYR 110 Ca -0.10 -3.98 0.21 0.00 -0.01 0.00 0.00 57.90 54.01 1n2j n TYR 110 Cb 1.03 -0.49 1.00 0.00 -0.02 0.00 0.00 39.34 40.86 1n2j n TYR 110 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1n2j h PRO 111 N 3.50 0.00 -0.13 -0.72 0.13 -1.53 -2.00 132.00 131.26 1n2j h PRO 111 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1n2j h PRO 111 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1n2j h PRO 111 CO 0.75 0.00 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.21 1n2j n ASP 112 N -3.07 2.86 0.00 1.44 8.00 -1.26 -5.09 116.55 119.43 1n2j n ASP 112 Ca -0.01 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 52.28 1n2j n ASP 112 Cb 0.17 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1n2j n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n2j n GLY 113 N -1.05 -0.01 3.59 0.44 0.00 -0.75 -4.47 105.19 102.94 1n2j n GLY 113 Ca 0.20 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1n2j n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2j s LEU 114 N 0.00 4.16 0.00 0.99 1.43 -1.26 -4.85 118.68 119.15 1n2j s LEU 114 Ca 0.00 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1n2j s LEU 114 Cb 0.00 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.30 1n2j s LEU 114 CO 0.00 -0.61 0.00 -1.14 0.23 0.00 0.00 176.35 174.83 1n2j n ARG 115 N 6.14 0.00 -2.34 1.70 0.63 -1.26 -5.05 116.66 116.48 1n2j n ARG 115 Ca 0.01 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.52 1n2j n ARG 115 Cb 0.48 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.36 1n2j n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1n2j s THR 116 N 0.69 3.65 0.20 5.15 2.01 -1.26 -5.02 115.64 121.07 1n2j s THR 116 Ca 0.00 1.26 -0.01 0.00 0.31 0.00 0.00 61.69 63.26 1n2j s THR 116 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1n2j s THR 116 CO 0.00 0.14 0.13 0.42 -0.69 0.00 0.00 174.62 174.62 1n2j s THR 117 N 0.61 0.05 -0.09 -0.82 -4.23 -1.26 -5.13 115.64 104.77 1n2j s THR 117 Ca 0.58 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1n2j s THR 117 Cb -0.33 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1n2j s THR 117 CO 0.33 -0.00 0.38 -0.69 -0.54 0.00 0.00 174.62 174.09 1n2j s VAL 118 N -4.12 5.18 -0.40 2.29 1.01 -1.26 -5.05 120.40 118.05 1n2j s VAL 118 Ca 0.39 0.75 -0.10 0.00 0.00 0.00 0.00 61.98 63.02 1n2j s VAL 118 Cb 0.07 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.80 1n2j s VAL 118 CO 0.12 0.45 0.23 -1.58 0.00 0.00 0.00 175.10 174.32 1n2j s GLN 119 N -0.08 2.69 0.95 2.72 2.00 -1.26 -4.68 119.66 122.00 1n2j s GLN 119 Ca 0.22 -1.30 -0.12 0.00 -2.00 0.00 0.00 55.36 52.16 1n2j s GLN 119 Cb -0.15 -3.75 0.16 0.00 0.80 0.00 0.00 33.01 30.07 1n2j s GLN 119 CO 0.09 -0.85 1.09 -2.14 -0.50 0.00 0.00 175.29 172.98 1n2j s PRO 120 N 1.47 0.84 1.19 1.67 0.02 -1.26 -5.03 135.00 133.90 1n2j s PRO 120 Ca 0.02 0.93 -0.20 0.00 0.02 0.00 0.00 61.00 61.77 1n2j s PRO 120 Cb -0.21 -1.75 0.29 0.00 0.02 0.00 0.00 34.50 32.85 1n2j s PRO 120 CO 0.04 -2.56 1.10 0.41 -0.33 0.00 0.00 177.00 175.66 1n2j n GLY 121 N -0.60 -2.65 0.31 0.52 0.00 -1.26 -4.87 105.19 96.64 1n2j n GLY 121 Ca 0.07 -1.52 0.21 0.00 0.00 0.00 0.00 46.02 44.78 1n2j n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n2j h PRO 122 N 0.00 0.00 0.00 1.61 0.13 -2.03 -2.08 132.00 129.63 1n2j h PRO 122 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1n2j h PRO 122 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1n2j h PRO 122 CO 0.27 0.00 -0.09 1.25 -0.23 0.00 0.00 178.00 179.20 1n2j h LEU 123 N 0.00 0.00 -0.76 1.56 5.85 -1.96 -1.62 115.31 118.38 1n2j h LEU 123 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n2j h LEU 123 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1n2j h LEU 123 CO 0.00 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 1n2j n ALA 124 N -2.40 1.49 1.04 1.25 0.00 -0.78 -1.93 120.51 119.18 1n2j n ALA 124 Ca -0.03 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1n2j n ALA 124 Cb 0.17 -1.34 0.13 0.00 0.00 0.00 0.00 19.45 18.42 1n2j n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n2j n ALA 125 N -1.73 3.83 -2.05 0.00 0.00 -0.61 -3.94 120.51 116.00 1n2j n ALA 125 Ca 0.01 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.79 1n2j n ALA 125 Cb 0.17 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1n2j n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1n2j s GLU 126 N -2.85 2.75 2.21 0.00 2.02 -0.81 -3.18 118.70 118.84 1n2j s GLU 126 Ca 0.13 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1n2j s GLU 126 Cb 0.17 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1n2j s GLU 126 CO 0.70 -0.42 0.00 1.28 0.02 0.00 0.00 175.26 176.85 1n2j n LEU 127 N -2.04 0.00 0.28 1.80 4.77 -1.26 0.82 117.00 121.37 1n2j n LEU 127 Ca 0.07 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1n2j n LEU 127 Cb 0.59 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.49 1n2j n LEU 127 CO 0.42 0.00 1.02 -0.33 -1.33 0.00 0.00 177.39 177.17 1n2j h GLU 128 N 0.00 0.00 0.00 3.23 4.39 -1.91 -2.05 114.58 118.24 1n2j h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n2j h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1n2j h GLU 128 CO 0.00 0.08 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 1n2j n GLY 129 N -0.65 -1.21 0.35 -3.84 0.00 0.24 -2.48 105.19 97.60 1n2j n GLY 129 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1n2j n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n2j h GLY 130 N 2.79 -0.93 1.99 -0.02 0.00 -1.32 -1.80 103.07 103.78 1n2j h GLY 130 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.51 1n2j h GLY 130 CO 0.00 -0.34 -0.76 -2.55 0.00 0.00 0.00 176.54 172.89 1n2j h PRO 131 N -0.96 0.01 -2.72 4.80 0.11 -1.76 -3.37 132.00 128.10 1n2j h PRO 131 Ca -0.09 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.40 1n2j h PRO 131 Cb 0.68 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.38 1n2j h PRO 131 CO 0.15 0.77 -0.64 0.54 -0.21 0.00 0.00 178.00 178.61 1n2j n ARG 132 N -3.63 1.85 0.17 1.05 1.74 -1.04 -4.96 116.66 111.83 1n2j n ARG 132 Ca -0.01 -4.38 0.12 0.00 -0.77 0.00 0.00 57.85 52.82 1n2j n ARG 132 Cb 0.74 -2.18 0.61 0.00 -1.02 0.00 0.00 32.46 30.60 1n2j n ARG 132 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1n2j h PRO 133 N 5.00 0.00 -0.01 5.56 0.13 -1.50 -2.78 132.00 138.39 1n2j h PRO 133 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1n2j h PRO 133 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1n2j h PRO 133 CO 0.71 0.00 -0.07 0.25 -0.23 0.00 0.00 178.00 178.66 1n2j n THR 134 N -2.34 0.00 0.11 1.56 -2.24 -1.26 -4.76 114.28 105.35 1n2j n THR 134 Ca -0.00 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.18 1n2j n THR 134 Cb 0.10 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 1n2j n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1n2j h HIS 135 N 1.43 -0.92 0.00 4.78 6.17 -1.78 -2.82 115.15 122.02 1n2j h HIS 135 Ca 0.00 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 1n2j h HIS 135 Cb 0.34 0.39 -0.01 0.00 2.52 0.00 0.00 27.41 30.65 1n2j h HIS 135 CO 0.00 -0.44 -0.20 0.74 0.71 0.00 0.00 177.93 178.74 1n2j h PHE 136 N -0.56 0.00 -0.59 5.26 -1.00 -1.86 -1.66 116.94 116.54 1n2j h PHE 136 Ca 0.03 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 1n2j h PHE 136 Cb 0.59 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.13 1n2j h PHE 136 CO -0.30 0.20 0.26 0.00 -1.61 0.00 0.00 178.31 176.86 1n2j h ALA 137 N 1.80 0.76 -0.49 2.45 0.00 -1.80 0.30 119.26 122.29 1n2j h ALA 137 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1n2j h ALA 137 Cb 0.56 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1n2j h ALA 137 CO 0.03 0.36 0.21 0.78 0.00 0.00 0.00 179.25 180.62 1n2j h GLY 138 N 0.81 0.78 0.84 0.00 0.00 -1.09 -0.96 103.07 103.45 1n2j h GLY 138 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1n2j h GLY 138 CO -0.02 0.39 -0.09 -2.08 0.00 0.00 0.00 176.54 174.74 1n2j h VAL 139 N 0.65 0.88 -0.68 4.60 2.07 -0.86 -2.57 116.25 120.33 1n2j h VAL 139 Ca 0.17 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1n2j h VAL 139 Cb 0.17 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1n2j h VAL 139 CO -0.02 0.08 0.33 -0.07 0.02 0.00 0.00 177.57 177.92 1n2j h LEU 140 N -0.43 0.87 -0.11 2.57 3.38 -0.35 -0.91 115.31 120.33 1n2j h LEU 140 Ca -0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1n2j h LEU 140 Cb 0.33 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1n2j h LEU 140 CO 0.04 0.74 0.05 0.74 0.09 0.00 0.00 178.44 180.10 1n2j h THR 141 N 0.97 1.12 -0.16 0.22 2.02 -1.15 -0.56 112.91 115.37 1n2j h THR 141 Ca 0.24 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 1n2j h THR 141 Cb 0.09 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1n2j h THR 141 CO -0.03 0.11 -0.44 1.62 0.37 0.00 0.00 175.52 177.14 1n2j h VAL 142 N 0.05 1.32 -0.46 3.16 3.04 -1.29 -2.07 116.25 119.99 1n2j h VAL 142 Ca 0.04 -1.62 -0.10 0.00 -1.01 0.00 0.00 66.70 64.00 1n2j h VAL 142 Cb 0.12 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1n2j h VAL 142 CO -0.00 0.50 -0.12 0.58 -1.01 0.00 0.00 177.57 177.51 1n2j h VAL 143 N 0.32 1.27 -0.31 1.51 2.07 -1.04 0.29 116.25 120.36 1n2j h VAL 143 Ca 0.02 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1n2j h VAL 143 Cb 0.91 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1n2j h VAL 143 CO 0.08 0.43 0.20 0.25 0.02 0.00 0.00 177.57 178.54 1n2j h LEU 144 N 0.74 0.36 -0.55 2.57 5.85 -0.96 -0.14 115.31 123.17 1n2j h LEU 144 Ca 0.12 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1n2j h LEU 144 Cb 0.67 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1n2j h LEU 144 CO 0.05 0.29 0.36 0.11 -0.34 0.00 0.00 178.44 178.91 1n2j h LYS 145 N 0.41 0.72 -0.90 1.25 1.57 -1.14 -1.27 116.57 117.20 1n2j h LYS 145 Ca 0.11 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1n2j h LYS 145 Cb -0.02 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.09 1n2j h LYS 145 CO -0.02 0.47 0.50 -0.07 -0.57 0.00 0.00 179.45 179.76 1n2j h LEU 146 N 0.74 1.13 -1.05 2.94 3.38 -0.60 -0.24 115.31 121.60 1n2j h LEU 146 Ca 0.21 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1n2j h LEU 146 Cb -0.07 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1n2j h LEU 146 CO -0.05 0.90 0.08 -0.07 0.09 0.00 0.00 178.44 179.39 1n2j h LEU 147 N 1.27 0.71 -0.31 1.67 3.38 -0.50 -1.18 115.31 120.35 1n2j h LEU 147 Ca 0.32 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1n2j h LEU 147 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1n2j h LEU 147 CO -0.05 0.73 -0.86 1.56 0.09 0.00 0.00 178.44 179.91 1n2j h GLN 148 N 0.73 0.14 0.03 1.13 1.08 -0.65 0.13 115.11 117.70 1n2j h GLN 148 Ca 0.16 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1n2j h GLN 148 Cb 0.32 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1n2j h GLN 148 CO 0.00 0.91 -0.01 0.82 -0.95 0.00 0.00 178.83 179.60 1n2j h ILE 149 N 0.08 1.39 0.03 2.54 2.04 -0.88 -3.36 117.51 119.34 1n2j h ILE 149 Ca -0.03 -1.43 -0.26 0.00 1.00 0.00 0.00 64.86 64.13 1n2j h ILE 149 Cb 1.49 2.33 -0.03 0.00 -0.74 0.00 0.00 36.82 39.87 1n2j h ILE 149 CO 0.13 0.36 -1.36 0.58 0.00 0.00 0.00 178.15 177.85 1n2j h VAL 150 N -0.68 1.30 -6.16 1.67 2.07 -1.31 -3.35 116.25 109.79 1n2j h VAL 150 Ca -0.00 -3.04 -0.42 0.00 0.82 0.00 0.00 66.70 64.06 1n2j h VAL 150 Cb 0.62 2.69 0.06 0.00 -1.52 0.00 0.00 31.29 33.14 1n2j h VAL 150 CO 0.01 0.78 -0.88 -1.14 0.02 0.00 0.00 177.57 176.36 1n2j n ARG 151 N -3.29 -3.08 -1.74 1.57 0.63 0.46 -4.77 116.66 106.45 1n2j n ARG 151 Ca -0.10 0.54 -0.31 0.00 -0.92 0.00 0.00 57.85 57.07 1n2j n ARG 151 Cb 1.00 -4.74 0.03 0.00 0.45 0.00 0.00 32.46 29.20 1n2j n ARG 151 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1n2j s PRO 152 N -5.94 3.21 0.08 -0.14 0.04 -1.26 -4.89 135.00 126.10 1n2j s PRO 152 Ca 0.21 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1n2j s PRO 152 Cb -0.06 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.20 1n2j s PRO 152 CO 0.84 -0.88 1.16 -0.44 0.04 0.00 0.00 177.00 177.72 1n2j h ASP 153 N -0.41 0.54 -4.52 6.66 3.32 -0.77 -3.44 116.42 117.81 1n2j h ASP 153 Ca -0.44 -0.54 -0.23 0.00 0.02 0.00 0.00 57.03 55.84 1n2j h ASP 153 Cb 1.20 -0.17 -0.24 0.00 0.22 0.00 0.00 39.33 40.35 1n2j h ASP 153 CO 0.59 1.39 -0.72 -0.13 -1.72 0.00 0.00 179.24 178.65 1n2j s ARG 154 N -2.80 0.32 -0.04 3.56 0.52 -1.20 -1.68 118.95 117.63 1n2j s ARG 154 Ca -0.05 -0.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 1n2j s ARG 154 Cb 0.07 -0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 1n2j s ARG 154 CO 0.89 0.01 -0.17 0.54 0.02 0.00 0.00 175.30 176.59 1n2j s VAL 155 N -0.96 1.40 -0.16 3.52 0.11 -0.18 -1.46 120.40 122.68 1n2j s VAL 155 Ca -0.09 -0.71 -0.04 0.00 -2.93 0.00 0.00 61.98 58.21 1n2j s VAL 155 Cb -0.07 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.56 1n2j s VAL 155 CO -0.00 0.40 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.77 1n2j s PHE 156 N -0.05 3.01 0.05 1.54 0.40 -0.33 -0.57 117.98 122.04 1n2j s PHE 156 Ca -0.02 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 1n2j s PHE 156 Cb -0.10 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1n2j s PHE 156 CO 0.02 -0.08 -0.10 -0.06 0.70 0.00 0.00 175.22 175.69 1n2j s PHE 157 N 0.46 0.88 0.25 0.36 0.40 -0.46 -4.22 117.98 115.65 1n2j s PHE 157 Ca -0.04 -0.45 -0.25 0.00 -0.60 0.00 0.00 56.93 55.60 1n2j s PHE 157 Cb -0.14 -0.52 -0.09 0.00 0.51 0.00 0.00 43.02 42.78 1n2j s PHE 157 CO 0.03 -0.02 0.85 0.20 0.70 0.00 0.00 175.22 176.98 1n2j s GLY 158 N -1.50 2.83 0.00 4.36 0.00 -1.26 -0.77 107.32 110.98 1n2j s GLY 158 Ca -0.06 0.41 0.18 0.00 0.00 0.00 0.00 44.72 45.26 1n2j s GLY 158 CO 0.01 0.87 1.55 1.18 0.00 0.00 0.00 173.10 176.71 1n2j n GLU 159 N 0.96 0.12 -0.18 2.90 1.02 0.29 -3.13 120.64 122.62 1n2j n GLU 159 Ca -0.01 0.16 -0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1n2j n GLU 159 Cb 0.50 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.47 1n2j n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1n2j h LYS 160 N 0.00 0.55 -3.30 3.49 3.64 -1.91 -2.55 116.57 116.49 1n2j h LYS 160 Ca 0.00 -0.03 -0.80 0.00 -1.27 0.00 0.00 60.65 58.55 1n2j h LYS 160 Cb 0.24 -0.12 -0.26 0.00 -0.41 0.00 0.00 32.23 31.68 1n2j h LYS 160 CO 0.00 0.36 0.81 -0.25 -2.27 0.00 0.00 179.45 178.10 1n2j n ASP 161 N -4.84 5.94 -0.18 4.20 8.00 -1.18 -4.69 116.55 123.80 1n2j n ASP 161 Ca 0.05 -3.23 -0.07 0.00 0.71 0.00 0.00 54.79 52.24 1n2j n ASP 161 Cb 0.12 -1.34 0.02 0.00 -0.02 0.00 0.00 41.12 39.90 1n2j n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1n2j h TYR 162 N 5.98 0.66 -0.56 1.24 3.20 -1.67 -0.81 116.97 125.02 1n2j h TYR 162 Ca 0.22 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 1n2j h TYR 162 Cb 0.72 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1n2j h TYR 162 CO 0.95 0.42 0.12 0.37 -1.64 0.00 0.00 178.16 178.37 1n2j h GLN 163 N 0.71 0.87 -0.31 1.82 4.15 -1.89 -0.58 115.11 119.88 1n2j h GLN 163 Ca 0.19 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1n2j h GLN 163 Cb -0.08 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1n2j h GLN 163 CO -0.04 0.79 0.16 0.37 -1.93 0.00 0.00 178.83 178.18 1n2j h GLN 164 N 0.83 0.44 -0.18 1.69 4.15 -1.89 -1.47 115.11 118.68 1n2j h GLN 164 Ca 0.18 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.56 1n2j h GLN 164 Cb 0.33 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 1n2j h GLN 164 CO 0.00 0.39 0.06 1.25 -1.93 0.00 0.00 178.83 178.60 1n2j h LEU 165 N 0.37 0.06 -0.66 -2.39 5.85 -0.50 -0.99 115.31 117.05 1n2j h LEU 165 Ca 0.11 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1n2j h LEU 165 Cb 0.09 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1n2j h LEU 165 CO -0.02 0.06 0.41 0.58 -0.34 0.00 0.00 178.44 179.14 1n2j h VAL 166 N 0.14 1.09 -0.21 1.05 2.07 -1.00 -0.36 116.25 119.03 1n2j h VAL 166 Ca 0.08 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 1n2j h VAL 166 Cb 0.05 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1n2j h VAL 166 CO -0.08 0.15 -0.20 -0.07 0.02 0.00 0.00 177.57 177.38 1n2j h LEU 167 N 0.81 0.37 -0.48 2.57 3.38 -0.98 -0.65 115.31 120.32 1n2j h LEU 167 Ca 0.27 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1n2j h LEU 167 Cb 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1n2j h LEU 167 CO -0.10 0.59 -0.57 0.40 0.09 0.00 0.00 178.44 178.84 1n2j h ILE 168 N 0.34 1.32 -0.47 1.22 2.04 -0.54 -0.70 117.51 120.73 1n2j h ILE 168 Ca 0.06 -1.83 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 1n2j h ILE 168 Cb 0.56 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1n2j h ILE 168 CO 0.04 0.57 0.20 0.03 0.00 0.00 0.00 178.15 178.98 1n2j h ARG 169 N 0.43 0.67 -0.38 2.37 3.08 -0.33 -0.65 114.38 119.56 1n2j h ARG 169 Ca 0.00 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1n2j h ARG 169 Cb 1.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1n2j h ARG 169 CO 0.11 0.55 -0.17 1.96 -1.07 0.00 0.00 179.97 181.35 1n2j h GLN 170 N 0.67 0.79 -0.05 0.04 4.20 -0.72 -1.81 115.11 118.23 1n2j h GLN 170 Ca 0.16 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.57 1n2j h GLN 170 Cb 0.12 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1n2j h GLN 170 CO -0.02 0.96 -0.14 1.25 -0.67 0.00 0.00 178.83 180.22 1n2j h LEU 171 N 0.59 -0.40 -0.34 1.46 5.85 -0.69 0.20 115.31 121.98 1n2j h LEU 171 Ca 0.09 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1n2j h LEU 171 Cb 0.71 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1n2j h LEU 171 CO 0.05 -0.19 0.20 0.58 -0.34 0.00 0.00 178.44 178.75 1n2j h VAL 172 N -0.20 1.04 -0.19 1.05 2.07 -1.04 -1.22 116.25 117.75 1n2j h VAL 172 Ca 0.06 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1n2j h VAL 172 Cb 0.29 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1n2j h VAL 172 CO -0.17 0.07 0.02 0.00 0.02 0.00 0.00 177.57 177.52 1n2j h ALA 173 N 1.15 0.25 -0.18 1.67 0.00 -1.12 -0.86 119.26 120.17 1n2j h ALA 173 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1n2j h ALA 173 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n2j h ALA 173 CO -0.06 -0.07 -0.24 -0.44 0.00 0.00 0.00 179.25 178.44 1n2j h ASP 174 N 0.10 0.33 -0.60 0.00 3.32 -0.50 -2.74 116.42 116.32 1n2j h ASP 174 Ca 0.06 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1n2j h ASP 174 Cb 0.34 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1n2j h ASP 174 CO 0.01 0.58 0.00 0.49 -1.72 0.00 0.00 179.24 178.59 1n2j n PHE 175 N -4.15 0.80 -3.46 4.55 0.99 -0.47 -4.97 117.46 110.75 1n2j n PHE 175 Ca -0.01 -0.42 -0.25 0.00 -0.00 0.00 0.00 57.45 56.78 1n2j n PHE 175 Cb 0.37 -0.00 0.05 0.00 -1.00 0.00 0.00 39.48 38.90 1n2j n PHE 175 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1n2j n ASN 176 N 1.54 -5.84 -4.73 4.37 4.13 -0.95 -4.94 115.26 108.84 1n2j n ASN 176 Ca 0.22 -0.50 -0.41 0.00 1.68 0.00 0.00 54.58 55.57 1n2j n ASN 176 Cb 0.61 -4.65 -0.03 0.00 -1.54 0.00 0.00 39.78 34.16 1n2j n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1n2j s LEU 177 N -7.06 4.43 -1.19 3.41 1.43 -0.37 -4.95 118.68 114.38 1n2j s LEU 177 Ca 0.50 2.24 -0.08 0.00 -1.03 0.00 0.00 54.13 55.76 1n2j s LEU 177 Cb -0.23 -3.60 0.22 0.00 0.03 0.00 0.00 46.19 42.61 1n2j s LEU 177 CO 0.62 -0.42 1.61 -0.67 0.23 0.00 0.00 176.35 177.73 1n2j n ASP 178 N 2.72 5.57 -3.73 2.29 2.03 -1.26 -4.86 116.55 119.31 1n2j n ASP 178 Ca 0.05 -3.18 -0.14 0.00 0.52 0.00 0.00 54.79 52.05 1n2j n ASP 178 Cb 0.44 -1.42 -0.09 0.00 -0.72 0.00 0.00 41.12 39.33 1n2j n ASP 178 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1n2j s VAL 179 N -0.59 0.03 -0.10 5.18 0.11 -1.26 -4.88 120.40 118.89 1n2j s VAL 179 Ca 0.37 -0.21 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 1n2j s VAL 179 Cb 0.04 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1n2j s VAL 179 CO 0.03 -0.12 0.45 0.00 -3.33 0.00 0.00 175.10 172.13 1n2j s ALA 180 N -0.58 3.53 -0.23 1.54 0.00 -0.68 -4.98 121.76 120.36 1n2j s ALA 180 Ca -0.07 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 1n2j s ALA 180 Cb -0.04 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 1n2j s ALA 180 CO 0.03 0.10 0.24 0.08 0.00 0.00 0.00 175.76 176.21 1n2j s VAL 181 N 0.26 5.30 -0.19 0.00 1.01 -1.26 -1.01 120.40 124.51 1n2j s VAL 181 Ca 0.25 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1n2j s VAL 181 Cb -0.15 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1n2j s VAL 181 CO 0.10 0.30 -0.10 -0.69 0.00 0.00 0.00 175.10 174.72 1n2j s VAL 182 N 1.22 3.00 -0.07 2.92 1.01 0.27 -4.96 120.40 123.78 1n2j s VAL 182 Ca 0.11 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1n2j s VAL 182 Cb -0.14 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1n2j s VAL 182 CO 0.06 0.48 0.38 -0.83 0.00 0.00 0.00 175.10 175.19 1n2j s GLY 183 N 1.13 2.38 -0.14 4.51 0.00 -1.26 -1.35 107.32 112.59 1n2j s GLY 183 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 1n2j s GLY 183 CO -0.03 0.34 -0.12 0.14 0.00 0.00 0.00 173.10 173.43 1n2j s VAL 184 N -0.30 3.17 0.48 1.40 1.01 0.05 -4.88 120.40 121.33 1n2j s VAL 184 Ca 0.22 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1n2j s VAL 184 Cb -0.15 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 1n2j s VAL 184 CO 0.10 0.52 0.91 -2.65 0.00 0.00 0.00 175.10 173.98 1n2j n PRO 185 N 3.56 1.10 -1.73 2.72 -0.02 -1.26 -0.55 135.00 138.82 1n2j n PRO 185 Ca -0.18 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1n2j n PRO 185 Cb 0.53 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1n2j n PRO 185 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1n2j n THR 186 N -0.94 0.76 -3.37 3.45 -1.04 -1.26 -4.72 114.28 107.14 1n2j n THR 186 Ca 0.11 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.05 61.55 1n2j n THR 186 Cb 0.42 -1.89 -0.06 0.00 -1.82 0.00 0.00 70.33 66.98 1n2j n THR 186 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1n2j s VAL 187 N 0.27 5.13 0.15 12.58 1.01 -1.26 -5.03 120.40 133.26 1n2j s VAL 187 Ca 0.67 0.91 0.09 0.00 0.00 0.00 0.00 61.98 63.65 1n2j s VAL 187 Cb -0.52 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1n2j s VAL 187 CO 0.45 0.40 -0.20 -0.13 0.00 0.00 0.00 175.10 175.63 1n2j s ARG 188 N 0.11 1.24 1.02 2.72 0.52 -1.26 -1.23 118.95 122.06 1n2j s ARG 188 Ca 0.25 -1.33 -0.13 0.00 -0.52 0.00 0.00 55.73 53.99 1n2j s ARG 188 Cb -0.16 -1.39 0.20 0.00 0.52 0.00 0.00 34.95 34.13 1n2j s ARG 188 CO 0.11 0.30 1.10 -1.21 0.02 0.00 0.00 175.30 175.62 1n2j s GLU 189 N -2.49 0.27 0.51 3.54 0.41 0.28 -4.84 118.70 116.38 1n2j s GLU 189 Ca 0.13 0.42 0.22 0.00 -0.41 0.00 0.00 54.97 55.33 1n2j s GLU 189 Cb -0.07 -1.73 1.32 0.00 -1.78 0.00 0.00 34.13 31.87 1n2j s GLU 189 CO 0.06 -2.81 2.01 0.00 -0.49 0.00 0.00 175.26 174.03 1n2j h ALA 190 N -1.95 2.35 -0.16 5.21 0.00 -2.01 0.15 119.26 122.84 1n2j h ALA 190 Ca -0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1n2j h ALA 190 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1n2j h ALA 190 CO 0.56 -0.48 0.00 -0.40 0.00 0.00 0.00 179.25 178.93 1n2j n ASP 191 N -4.42 1.98 0.00 0.00 5.68 -1.26 -4.94 116.55 113.59 1n2j n ASP 191 Ca 0.08 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 1n2j n ASP 191 Cb 0.50 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1n2j n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n2j n GLY 192 N 1.21 1.23 3.71 6.12 0.00 0.04 -4.87 105.19 112.62 1n2j n GLY 192 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1n2j n GLY 192 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n2j s LEU 193 N 0.00 4.38 0.18 0.99 2.96 -1.26 -4.60 118.68 121.33 1n2j s LEU 193 Ca 0.00 2.77 -0.32 0.00 -0.22 0.00 0.00 54.13 56.37 1n2j s LEU 193 Cb 0.00 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.00 1n2j s LEU 193 CO 0.00 -0.97 1.61 0.00 -1.32 0.00 0.00 176.35 175.68 1n2j s ALA 194 N 1.92 3.82 0.28 5.97 0.00 -1.26 -0.56 121.76 131.94 1n2j s ALA 194 Ca 0.77 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.87 1n2j s ALA 194 Cb -0.47 -3.64 -0.10 0.00 0.00 0.00 0.00 23.12 18.91 1n2j s ALA 194 CO 0.34 -0.82 1.33 -1.64 0.00 0.00 0.00 175.76 174.96 1n2j s MET 195 N 1.09 4.35 -0.21 0.00 -1.94 -0.37 -4.86 119.30 117.36 1n2j s MET 195 Ca 0.71 2.18 -0.27 0.00 -1.71 0.00 0.00 55.69 56.60 1n2j s MET 195 Cb -0.46 -3.11 0.10 0.00 2.01 0.00 0.00 34.83 33.38 1n2j s MET 195 CO 0.32 -0.24 0.90 0.45 -0.01 0.00 0.00 175.02 176.44 1n2j s SER 196 N -0.14 -0.53 0.55 3.03 0.15 -1.26 -4.93 113.70 110.57 1n2j s SER 196 Ca 0.53 0.86 0.25 0.00 0.70 0.00 0.00 55.95 58.29 1n2j s SER 196 Cb -0.39 0.82 1.48 0.00 -1.71 0.00 0.00 66.02 66.22 1n2j s SER 196 CO 0.47 -0.29 2.08 0.77 1.20 0.00 0.00 173.24 177.47 1n2j h SER 197 N 3.80 0.00 1.00 5.45 4.64 -1.94 -1.93 113.55 124.56 1n2j h SER 197 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1n2j h SER 197 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1n2j h SER 197 CO 0.19 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.18 1n2j h ARG 198 N 0.00 0.00 -0.05 4.77 3.08 -1.96 -3.24 114.38 116.97 1n2j h ARG 198 Ca 0.12 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1n2j h ARG 198 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1n2j h ARG 198 CO -0.00 0.00 0.04 -0.91 -1.07 0.00 0.00 179.97 178.02 1n2j h ASN 199 N 0.00 0.00 0.57 7.04 2.35 -1.72 -1.46 115.58 122.36 1n2j h ASN 199 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n2j h ASN 199 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1n2j h ASN 199 CO 0.00 0.00 0.00 0.08 -1.65 0.00 0.00 177.43 175.86 1n2j h ARG 200 N 0.00 0.00 0.00 0.81 0.11 -1.78 -2.22 114.38 111.30 1n2j h ARG 200 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1n2j h ARG 200 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1n2j h ARG 200 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1n2j n TYR 201 N -2.61 0.85 -2.52 4.08 0.53 -0.55 -4.84 117.16 112.11 1n2j n TYR 201 Ca 0.00 0.26 -0.41 0.00 -1.02 0.00 0.00 57.90 56.72 1n2j n TYR 201 Cb 0.19 -0.92 -0.04 0.00 -1.03 0.00 0.00 39.34 37.55 1n2j n TYR 201 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1n2j s LEU 202 N -4.40 4.43 0.92 7.72 1.43 -0.84 -5.01 118.68 122.92 1n2j s LEU 202 Ca 0.10 1.99 -0.14 0.00 -1.03 0.00 0.00 54.13 55.06 1n2j s LEU 202 Cb 0.12 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.90 1n2j s LEU 202 CO 0.57 -0.31 1.20 1.51 0.23 0.00 0.00 176.35 179.55 1n2j s ASP 203 N 0.46 3.51 0.26 2.29 1.47 -1.26 -4.67 116.67 118.73 1n2j s ASP 203 Ca 0.53 0.68 -0.02 0.00 1.18 0.00 0.00 52.55 54.91 1n2j s ASP 203 Cb -0.28 -1.04 0.46 0.00 -0.34 0.00 0.00 42.92 41.71 1n2j s ASP 203 CO 0.32 -2.52 1.83 -0.65 0.68 0.00 0.00 175.17 174.82 1n2j h PRO 204 N -1.49 0.89 -0.46 2.11 0.11 -1.99 0.54 132.00 131.72 1n2j h PRO 204 Ca -0.47 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1n2j h PRO 204 Cb 1.30 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1n2j h PRO 204 CO 0.54 0.59 -0.11 0.00 -0.21 0.00 0.00 178.00 178.81 1n2j h ALA 205 N 1.49 0.93 -0.29 -0.75 0.00 -1.99 -1.68 119.26 116.96 1n2j h ALA 205 Ca 0.44 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1n2j h ALA 205 Cb 0.38 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1n2j h ALA 205 CO -0.24 0.62 -0.47 1.96 0.00 0.00 0.00 179.25 181.12 1n2j h GLN 206 N 0.76 0.78 -0.27 0.00 4.20 -1.78 -1.61 115.11 117.20 1n2j h GLN 206 Ca 0.13 -0.45 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 1n2j h GLN 206 Cb 0.62 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1n2j h GLN 206 CO 0.04 1.08 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.94 1n2j h ARG 207 N 0.62 0.52 -0.11 1.46 9.65 -0.68 0.91 114.38 126.75 1n2j h ARG 207 Ca 0.03 -0.20 -0.21 0.00 -1.10 0.00 0.00 59.98 58.50 1n2j h ARG 207 Cb 1.04 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 29.60 1n2j h ARG 207 CO 0.10 0.73 -0.79 0.00 2.80 0.00 0.00 179.97 182.81 1n2j h ALA 208 N 1.28 0.40 -0.11 2.80 0.00 -1.22 -3.17 119.26 119.23 1n2j h ALA 208 Ca 0.07 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1n2j h ALA 208 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1n2j h ALA 208 CO 0.05 0.72 -0.37 0.00 0.00 0.00 0.00 179.25 179.65 1n2j h ALA 209 N 0.68 1.17 0.00 0.00 0.00 -0.97 -3.04 119.26 117.10 1n2j h ALA 209 Ca -0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n2j h ALA 209 Cb 1.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1n2j h ALA 209 CO 0.15 0.56 -0.02 0.00 0.00 0.00 0.00 179.25 179.94 1n2j h ALA 210 N 1.42 1.12 0.00 0.00 0.00 -0.79 -1.02 119.26 119.98 1n2j h ALA 210 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n2j h ALA 210 Cb 0.75 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1n2j h ALA 210 CO 0.06 0.02 -0.02 -0.24 0.00 0.00 0.00 179.25 179.07 1n2j h VAL 211 N 0.00 0.27 -0.42 0.00 3.04 -1.61 -2.57 116.25 114.96 1n2j h VAL 211 Ca -0.00 -0.13 0.08 0.00 -1.01 0.00 0.00 66.70 65.64 1n2j h VAL 211 Cb 0.14 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.49 1n2j h VAL 211 CO 0.00 0.02 0.29 0.00 -1.01 0.00 0.00 177.57 176.87 1n2j h ALA 212 N 1.98 2.12 0.13 3.17 0.00 -1.39 -1.51 119.26 123.75 1n2j h ALA 212 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1n2j h ALA 212 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n2j h ALA 212 CO 0.00 -0.21 -0.06 -0.07 0.00 0.00 0.00 179.25 178.91 1n2j h LEU 213 N 0.21 -0.15 -0.55 0.00 4.07 -1.68 0.15 115.31 117.37 1n2j h LEU 213 Ca 0.19 -0.20 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1n2j h LEU 213 Cb 0.48 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1n2j h LEU 213 CO -0.03 0.12 -0.29 0.77 -1.08 0.00 0.00 178.44 177.92 1n2j h SER 214 N -0.42 0.89 -0.88 -0.43 4.64 -1.71 -2.11 113.55 113.54 1n2j h SER 214 Ca -0.02 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1n2j h SER 214 Cb 0.34 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 1n2j h SER 214 CO 0.03 1.12 0.46 0.00 -0.87 0.00 0.00 176.83 177.57 1n2j h ALA 215 N 0.94 1.13 -0.60 5.18 0.00 -1.25 -0.61 119.26 124.04 1n2j h ALA 215 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1n2j h ALA 215 Cb 0.85 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1n2j h ALA 215 CO 0.07 0.65 0.12 0.00 0.00 0.00 0.00 179.25 180.10 1n2j h ALA 216 N 1.25 0.79 -0.25 0.00 0.00 -0.54 -1.29 119.26 119.21 1n2j h ALA 216 Ca 0.31 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1n2j h ALA 216 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1n2j h ALA 216 CO -0.05 0.52 -0.18 -0.07 0.00 0.00 0.00 179.25 179.48 1n2j h LEU 217 N 0.88 0.59 -0.78 0.00 3.38 -1.12 -1.16 115.31 117.10 1n2j h LEU 217 Ca 0.19 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1n2j h LEU 217 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1n2j h LEU 217 CO 0.01 0.90 -0.23 0.71 0.09 0.00 0.00 178.44 179.92 1n2j h THR 218 N 0.27 1.27 -0.43 0.22 1.35 -1.09 -0.40 112.91 114.10 1n2j h THR 218 Ca 0.05 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 1n2j h THR 218 Cb 0.71 1.26 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 1n2j h THR 218 CO 0.05 0.43 0.17 0.00 -0.25 0.00 0.00 175.52 175.92 1n2j h ALA 219 N 1.16 0.55 -0.69 6.62 0.00 -1.18 -2.34 119.26 123.39 1n2j h ALA 219 Ca 0.08 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1n2j h ALA 219 Cb 0.71 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1n2j h ALA 219 CO 0.05 0.16 0.42 0.00 0.00 0.00 0.00 179.25 179.89 1n2j h ALA 220 N 1.02 0.91 -0.96 0.00 0.00 -0.92 0.26 119.26 119.56 1n2j h ALA 220 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1n2j h ALA 220 Cb 0.19 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1n2j h ALA 220 CO -0.01 0.18 0.62 0.00 0.00 0.00 0.00 179.25 180.04 1n2j h ALA 221 N 1.31 1.43 0.00 0.00 0.00 -0.56 -1.02 119.26 120.42 1n2j h ALA 221 Ca 0.28 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1n2j h ALA 221 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1n2j h ALA 221 CO -0.12 0.44 -1.11 0.45 0.00 0.00 0.00 179.25 178.91 1n2j h HIS 222 N 1.14 0.00 0.00 0.00 3.86 -1.00 -3.22 115.15 115.93 1n2j h HIS 222 Ca 0.40 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.61 1n2j h HIS 222 Cb 0.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1n2j h HIS 222 CO -0.00 0.82 -0.01 0.00 0.86 0.00 0.00 177.93 179.60 1n2j h ALA 223 N 1.18 1.00 -0.00 2.45 0.00 -0.01 -3.30 119.26 120.58 1n2j h ALA 223 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n2j h ALA 223 Cb 1.71 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1n2j h ALA 223 CO 0.09 0.02 0.20 0.00 0.00 0.00 0.00 179.25 179.55 1n2j h ALA 224 N 1.99 1.20 0.00 0.00 0.00 -1.21 -0.29 119.26 120.95 1n2j h ALA 224 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n2j h ALA 224 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1n2j h ALA 224 CO 0.00 -0.20 -0.01 1.79 0.00 0.00 0.00 179.25 180.83 1n2j h THR 225 N 0.00 0.11 -0.19 0.00 1.35 -1.76 -0.19 112.91 112.23 1n2j h THR 225 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1n2j h THR 225 Cb 0.39 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1n2j h THR 225 CO -0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 1n2j n ALA 226 N -2.13 2.49 0.00 6.62 0.00 -0.12 -4.43 120.51 122.94 1n2j n ALA 226 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1n2j n ALA 226 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1n2j n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n2j n GLY 227 N 1.27 2.33 0.18 0.00 0.00 -0.23 -4.55 105.19 104.20 1n2j n GLY 227 Ca 0.17 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 1n2j n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2j h ALA 228 N 0.00 0.51 -0.61 4.61 0.00 -1.82 -2.31 119.26 119.65 1n2j h ALA 228 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1n2j h ALA 228 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1n2j h ALA 228 CO 0.00 0.03 0.09 0.37 0.00 0.00 0.00 179.25 179.74 1n2j h GLN 229 N 0.52 1.00 -0.83 0.00 5.75 -1.97 -1.54 115.11 118.04 1n2j h GLN 229 Ca 0.14 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1n2j h GLN 229 Cb 0.05 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 1n2j h GLN 229 CO -0.02 0.93 0.42 0.00 -2.65 0.00 0.00 178.83 177.51 1n2j h ALA 230 N 1.14 1.06 -0.37 3.38 0.00 -1.75 -0.38 119.26 122.35 1n2j h ALA 230 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1n2j h ALA 230 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n2j h ALA 230 CO 0.01 0.60 0.09 0.00 0.00 0.00 0.00 179.25 179.95 1n2j h ALA 231 N 1.23 0.48 -0.35 0.00 0.00 -1.07 -0.74 119.26 118.81 1n2j h ALA 231 Ca 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1n2j h ALA 231 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1n2j h ALA 231 CO -0.04 0.16 0.10 -0.07 0.00 0.00 0.00 179.25 179.39 1n2j h LEU 232 N 0.44 0.52 -0.94 0.00 3.38 -1.00 -1.83 115.31 115.88 1n2j h LEU 232 Ca 0.11 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1n2j h LEU 232 Cb 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1n2j h LEU 232 CO 0.00 0.60 -0.03 0.44 0.09 0.00 0.00 178.44 179.54 1n2j h ASP 233 N 0.41 0.72 -0.12 -0.43 3.32 -0.95 -0.15 116.42 119.22 1n2j h ASP 233 Ca 0.11 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1n2j h ASP 233 Cb 0.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1n2j h ASP 233 CO -0.00 0.81 0.04 0.00 -1.72 0.00 0.00 179.24 178.37 1n2j h ALA 234 N 1.27 0.16 -0.69 3.45 0.00 -1.01 -0.50 119.26 121.94 1n2j h ALA 234 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1n2j h ALA 234 Cb 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1n2j h ALA 234 CO 0.02 -0.24 0.34 0.00 0.00 0.00 0.00 179.25 179.37 1n2j h ALA 235 N 0.87 0.90 -0.91 0.00 0.00 -1.01 -2.44 119.26 116.66 1n2j h ALA 235 Ca 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1n2j h ALA 235 Cb 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1n2j h ALA 235 CO -0.00 0.46 0.50 -0.09 0.00 0.00 0.00 179.25 180.12 1n2j h ARG 236 N 0.97 1.27 -0.78 0.00 9.65 -0.87 -1.92 114.38 122.70 1n2j h ARG 236 Ca 0.24 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1n2j h ARG 236 Cb 0.12 -0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 1n2j h ARG 236 CO -0.03 0.92 0.35 0.00 2.80 0.00 0.00 179.97 184.01 1n2j h ALA 237 N 1.27 1.16 -0.28 2.80 0.00 -0.65 0.10 119.26 123.67 1n2j h ALA 237 Ca 0.32 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1n2j h ALA 237 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1n2j h ALA 237 CO -0.05 0.63 -0.07 0.28 0.00 0.00 0.00 179.25 180.03 1n2j h VAL 238 N 1.11 1.28 -0.80 0.00 2.07 -1.12 -2.24 116.25 116.55 1n2j h VAL 238 Ca 0.27 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1n2j h VAL 238 Cb 0.14 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1n2j h VAL 238 CO -0.03 0.35 0.48 -0.07 0.02 0.00 0.00 177.57 178.32 1n2j h LEU 239 N 0.30 0.97 -1.69 2.57 3.38 -1.14 -1.72 115.31 117.97 1n2j h LEU 239 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n2j h LEU 239 Cb 0.56 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1n2j h LEU 239 CO 0.03 0.75 0.00 0.44 0.09 0.00 0.00 178.44 179.75 1n2j h ASP 240 N 1.10 0.00 -0.02 -0.43 3.32 -0.62 -2.20 116.42 117.57 1n2j h ASP 240 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1n2j h ASP 240 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1n2j h ASP 240 CO -0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 1n2j n ALA 241 N -1.91 2.59 -2.58 3.45 0.00 -0.65 -4.88 120.51 116.54 1n2j n ALA 241 Ca -0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 53.44 52.68 1n2j n ALA 241 Cb 0.13 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 1n2j n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n2j s ALA 242 N -1.99 2.97 0.36 0.00 0.00 -0.83 -5.11 121.76 117.16 1n2j s ALA 242 Ca 0.39 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.36 1n2j s ALA 242 Cb 0.21 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 1n2j s ALA 242 CO 0.34 0.57 0.70 -1.25 0.00 0.00 0.00 175.76 176.12 1n2j s PRO 243 N -0.80 3.76 -1.83 0.00 0.04 -1.26 -4.26 135.00 130.64 1n2j s PRO 243 Ca 0.12 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1n2j s PRO 243 Cb -0.11 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1n2j s PRO 243 CO 0.01 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.53 1n2j n GLY 244 N -1.06 -0.12 3.05 0.56 0.00 -1.26 -4.87 105.19 101.49 1n2j n GLY 244 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1n2j n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2j s VAL 245 N -2.99 2.69 -0.65 1.61 1.01 -1.26 -4.35 120.40 116.46 1n2j s VAL 245 Ca 0.00 -2.36 -0.24 0.00 0.00 0.00 0.00 61.98 59.38 1n2j s VAL 245 Cb 0.00 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.52 1n2j s VAL 245 CO 0.00 -0.66 1.04 0.00 0.00 0.00 0.00 175.10 175.48 1n2j s ALA 246 N 0.84 3.03 -0.07 5.51 0.00 -0.41 -4.89 121.76 125.78 1n2j s ALA 246 Ca 0.11 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 1n2j s ALA 246 Cb -0.21 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 1n2j s ALA 246 CO -0.06 -2.81 1.35 0.08 0.00 0.00 0.00 175.76 174.32 1n2j s VAL 247 N 4.46 3.97 -0.06 0.00 1.01 -1.26 -0.54 120.40 127.98 1n2j s VAL 247 Ca 0.28 1.27 -0.01 0.00 0.00 0.00 0.00 61.98 63.52 1n2j s VAL 247 Cb -0.14 -3.82 -0.26 0.00 0.00 0.00 0.00 36.38 32.17 1n2j s VAL 247 CO 0.14 -0.05 0.59 0.44 0.00 0.00 0.00 175.10 176.22 1n2j h ASP 248 N 8.11 0.31 -4.93 3.32 3.32 -0.83 -3.48 116.42 122.23 1n2j h ASP 248 Ca -0.34 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.10 1n2j h ASP 248 Cb 1.15 -0.10 -0.16 0.00 0.22 0.00 0.00 39.33 40.44 1n2j h ASP 248 CO 0.93 1.52 0.24 -0.72 -1.72 0.00 0.00 179.24 179.49 1n2j s TYR 249 N -2.59 -0.57 -0.25 4.55 -0.85 -1.14 -4.99 117.35 111.51 1n2j s TYR 249 Ca -0.14 0.69 -0.02 0.00 -0.52 0.00 0.00 57.07 57.08 1n2j s TYR 249 Cb 0.07 0.49 0.12 0.00 0.38 0.00 0.00 41.96 43.02 1n2j s TYR 249 CO 0.81 -0.70 0.30 -1.17 -1.52 0.00 0.00 175.55 173.27 1n2j s LEU 250 N -1.97 -0.31 -0.01 -3.49 2.96 -1.25 -1.80 118.68 112.80 1n2j s LEU 250 Ca -0.04 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1n2j s LEU 250 Cb -0.01 0.63 -0.00 0.00 0.50 0.00 0.00 46.19 47.31 1n2j s LEU 250 CO -0.02 -0.35 -0.07 -1.61 -1.32 0.00 0.00 176.35 172.98 1n2j s GLU 251 N 2.40 0.67 -0.23 1.98 2.02 -0.32 -4.98 118.70 120.25 1n2j s GLU 251 Ca 0.09 -0.26 -0.09 0.00 0.02 0.00 0.00 54.97 54.74 1n2j s GLU 251 Cb -0.15 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.39 1n2j s GLU 251 CO -0.23 0.13 0.11 -1.17 0.02 0.00 0.00 175.26 174.12 1n2j s LEU 252 N -0.01 3.89 0.31 1.80 2.96 -1.26 -0.98 118.68 125.39 1n2j s LEU 252 Ca 0.01 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1n2j s LEU 252 Cb -0.05 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1n2j s LEU 252 CO -0.00 0.08 0.13 -0.13 -1.32 0.00 0.00 176.35 175.11 1n2j s ARG 253 N 0.97 1.61 0.99 1.98 1.81 -0.17 -4.19 118.95 121.95 1n2j s ARG 253 Ca 0.06 -1.92 -0.16 0.00 -1.72 0.00 0.00 55.73 51.99 1n2j s ARG 253 Cb -0.14 -0.28 0.21 0.00 -0.45 0.00 0.00 34.95 34.29 1n2j s ARG 253 CO 0.03 -0.39 1.29 0.16 -0.68 0.00 0.00 175.30 175.71 1n2j s ASP 254 N -3.40 2.87 0.45 0.23 1.47 -0.42 -0.39 116.67 117.47 1n2j s ASP 254 Ca 0.35 0.34 0.31 0.00 1.18 0.00 0.00 52.55 54.72 1n2j s ASP 254 Cb 0.06 -0.43 1.47 0.00 -0.34 0.00 0.00 42.92 43.67 1n2j s ASP 254 CO 0.16 -2.89 1.93 0.16 0.68 0.00 0.00 175.17 175.21 1n2j h ILE 255 N -1.75 0.00 -0.57 2.11 3.07 -1.84 -0.68 117.51 117.86 1n2j h ILE 255 Ca -0.45 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 65.77 1n2j h ILE 255 Cb 1.25 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 1n2j h ILE 255 CO 0.39 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.10 1n2j n GLY 256 N -0.54 1.92 2.20 0.16 0.00 -1.26 -4.92 105.19 102.75 1n2j n GLY 256 Ca -0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1n2j n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n2j n LEU 257 N 1.41 -0.86 0.00 0.99 4.77 -0.26 -5.03 117.00 118.03 1n2j n LEU 257 Ca 0.21 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1n2j n LEU 257 Cb 0.56 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 1n2j n LEU 257 CO 0.15 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1n2j n GLY 258 N -1.66 0.13 3.76 -0.72 0.00 -1.26 -4.75 105.19 100.69 1n2j n GLY 258 Ca -0.08 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 1n2j n GLY 258 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1n2j s PRO 259 N -2.41 4.14 0.04 1.61 0.02 -1.26 -1.30 135.00 135.83 1n2j s PRO 259 Ca 0.00 2.54 -0.28 0.00 0.02 0.00 0.00 61.00 63.28 1n2j s PRO 259 Cb 0.00 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.46 1n2j s PRO 259 CO 0.00 -0.57 0.89 1.41 -0.33 0.00 0.00 177.00 178.40 1n2j s MET 260 N -0.96 4.58 0.79 5.54 1.75 -1.26 -3.81 119.30 125.92 1n2j s MET 260 Ca 0.60 1.28 -0.11 0.00 -1.25 0.00 0.00 55.69 56.20 1n2j s MET 260 Cb -0.47 -3.41 0.07 0.00 2.84 0.00 0.00 34.83 33.86 1n2j s MET 260 CO 0.52 0.13 1.09 -2.14 -0.65 0.00 0.00 175.02 173.97 1n2j s PRO 261 N 0.40 2.14 0.00 4.11 0.02 -1.26 -4.90 135.00 135.51 1n2j s PRO 261 Ca 0.45 0.70 0.07 0.00 0.02 0.00 0.00 61.00 62.24 1n2j s PRO 261 Cb -0.21 -1.92 0.19 0.00 0.02 0.00 0.00 34.50 32.58 1n2j s PRO 261 CO 0.26 -1.59 1.16 1.28 -0.33 0.00 0.00 177.00 177.78 1n2j n LEU 262 N -3.42 1.08 -3.58 -5.54 4.77 -1.26 -4.79 117.00 104.25 1n2j n LEU 262 Ca 0.07 -0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 55.36 1n2j n LEU 262 Cb 0.56 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1n2j n LEU 262 CO 0.56 0.27 0.50 0.21 -1.33 0.00 0.00 177.39 177.60 1n2j s ASN 263 N -1.01 -0.64 0.00 -1.43 3.84 -1.26 -4.63 114.94 109.81 1n2j s ASN 263 Ca 0.14 0.98 0.00 0.00 0.21 0.00 0.00 52.86 54.19 1n2j s ASN 263 Cb 0.07 0.91 0.00 0.00 -0.55 0.00 0.00 41.25 41.68 1n2j s ASN 263 CO 0.10 -0.40 0.00 0.61 -2.79 0.00 0.00 177.10 174.62 1n2j n GLY 264 N 1.71 -1.02 3.76 1.21 0.00 -1.13 -4.90 105.19 104.83 1n2j n GLY 264 Ca -0.15 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.34 1n2j n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n2j s SER 265 N -4.00 7.53 0.13 1.61 0.01 -1.26 -0.49 113.70 117.23 1n2j s SER 265 Ca 0.00 1.87 -0.02 0.00 1.31 0.00 0.00 55.95 59.11 1n2j s SER 265 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1n2j s SER 265 CO 0.00 0.11 0.21 0.61 0.41 0.00 0.00 173.24 174.58 1n2j n GLY 266 N 1.27 2.31 2.89 3.44 0.00 0.83 -4.05 105.19 111.89 1n2j n GLY 266 Ca -0.02 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.53 1n2j n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n2j s ARG 267 N -2.17 0.41 -0.18 1.61 6.06 0.47 -1.04 118.95 124.11 1n2j s ARG 267 Ca 0.08 -0.06 -0.04 0.00 -2.50 0.00 0.00 55.73 53.21 1n2j s ARG 267 Cb -0.01 -0.47 -0.02 0.00 0.06 0.00 0.00 34.95 34.51 1n2j s ARG 267 CO 0.06 -0.02 -0.03 -1.17 -2.50 0.00 0.00 175.30 171.64 1n2j s LEU 268 N 0.47 3.16 0.00 -0.88 2.96 -0.24 -1.00 118.68 123.15 1n2j s LEU 268 Ca -0.05 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 1n2j s LEU 268 Cb -0.08 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1n2j s LEU 268 CO -0.01 0.10 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.12 1n2j s LEU 269 N 0.77 2.09 0.03 -0.68 1.02 -0.15 -1.01 118.68 120.75 1n2j s LEU 269 Ca -0.01 -0.49 0.01 0.00 0.02 0.00 0.00 54.13 53.66 1n2j s LEU 269 Cb -0.14 -1.23 -0.02 0.00 0.02 0.00 0.00 46.19 44.81 1n2j s LEU 269 CO 0.02 0.27 -0.05 0.54 0.02 0.00 0.00 176.35 177.15 1n2j s VAL 270 N -0.65 0.32 -0.04 -1.59 0.11 -0.39 -1.18 120.40 116.97 1n2j s VAL 270 Ca 0.10 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.07 1n2j s VAL 270 Cb -0.09 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1n2j s VAL 270 CO 0.00 -0.48 0.09 0.00 -3.33 0.00 0.00 175.10 171.38 1n2j s ALA 271 N -1.60 -0.19 0.03 1.54 0.00 -0.75 -1.75 121.76 119.04 1n2j s ALA 271 Ca -0.12 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.05 1n2j s ALA 271 Cb -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1n2j s ALA 271 CO -0.01 -0.07 0.29 0.00 0.00 0.00 0.00 175.76 175.97 1n2j s ALA 272 N 0.39 -0.68 -0.17 0.00 0.00 -0.50 -0.06 121.76 120.75 1n2j s ALA 272 Ca -0.03 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1n2j s ALA 272 Cb -0.04 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1n2j s ALA 272 CO -0.01 -0.36 -0.01 1.03 0.00 0.00 0.00 175.76 176.40 1n2j s ARG 273 N -2.20 3.73 -0.34 0.00 0.52 0.29 -0.83 118.95 120.13 1n2j s ARG 273 Ca -0.08 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 1n2j s ARG 273 Cb -0.02 -3.00 0.10 0.00 0.52 0.00 0.00 34.95 32.54 1n2j s ARG 273 CO -0.01 0.22 0.04 -0.51 0.02 0.00 0.00 175.30 175.06 1n2j s LEU 274 N 0.45 4.65 0.00 2.53 1.02 0.35 -1.29 118.68 126.38 1n2j s LEU 274 Ca -0.02 -2.05 0.00 0.00 0.02 0.00 0.00 54.13 52.08 1n2j s LEU 274 Cb -0.14 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.43 1n2j s LEU 274 CO 0.02 -0.37 0.00 0.61 0.02 0.00 0.00 176.35 176.63 1n2j n GLY 275 N 4.30 2.68 1.24 -3.19 0.00 -1.26 -1.66 105.19 107.29 1n2j n GLY 275 Ca 0.01 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1n2j n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n2j n THR 276 N 0.00 1.13 -4.20 2.61 -2.24 -1.26 -4.94 114.28 105.38 1n2j n THR 276 Ca 0.00 -1.04 -0.34 0.00 -2.27 0.00 0.00 64.05 60.39 1n2j n THR 276 Cb 0.00 0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 1n2j n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n2j s THR 277 N -1.14 4.03 -0.25 4.28 2.01 -0.67 -5.08 115.64 118.83 1n2j s THR 277 Ca 0.44 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 1n2j s THR 277 Cb 0.24 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1n2j s THR 277 CO 0.28 0.46 0.29 -0.60 -0.69 0.00 0.00 174.62 174.36 1n2j s ARG 278 N 0.65 4.05 0.08 4.92 3.52 -1.26 -0.50 118.95 130.42 1n2j s ARG 278 Ca -0.01 -0.08 0.07 0.00 -0.13 0.00 0.00 55.73 55.59 1n2j s ARG 278 Cb -0.14 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1n2j s ARG 278 CO 0.02 -0.12 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.75 1n2j s LEU 279 N 1.57 2.85 0.09 -0.88 1.43 -0.01 -4.98 118.68 118.75 1n2j s LEU 279 Ca 0.12 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1n2j s LEU 279 Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1n2j s LEU 279 CO 0.08 0.21 -0.11 -0.76 0.23 0.00 0.00 176.35 176.00 1n2j s LEU 280 N -1.92 2.36 0.21 1.79 1.43 -1.26 -1.41 118.68 119.89 1n2j s LEU 280 Ca 0.18 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 1n2j s LEU 280 Cb -0.11 -0.37 0.05 0.00 0.03 0.00 0.00 46.19 45.79 1n2j s LEU 280 CO 0.10 -0.20 0.65 -0.62 0.23 0.00 0.00 176.35 176.50 1n2j s ASP 281 N -2.21 -0.43 0.11 2.29 -1.08 -0.72 -4.86 116.67 109.77 1n2j s ASP 281 Ca 0.03 -0.28 -0.25 0.00 -0.52 0.00 0.00 52.55 51.53 1n2j s ASP 281 Cb -0.05 0.65 0.08 0.00 -1.46 0.00 0.00 42.92 42.14 1n2j s ASP 281 CO 0.01 -1.13 0.69 0.54 0.52 0.00 0.00 175.17 175.80 1n2j s ASN 282 N -2.83 -0.50 0.03 -0.34 2.20 -1.26 -1.27 114.94 110.97 1n2j s ASN 282 Ca 0.06 -0.01 -0.17 0.00 -0.94 0.00 0.00 52.86 51.80 1n2j s ASN 282 Cb -0.03 0.53 0.03 0.00 -2.00 0.00 0.00 41.25 39.79 1n2j s ASN 282 CO -0.04 -0.87 0.38 -0.51 -2.94 0.00 0.00 177.10 173.12 1n2j s ILE 283 N -3.56 0.06 0.37 0.54 2.07 -0.18 -4.98 121.20 115.53 1n2j s ILE 283 Ca 0.02 -0.49 -0.26 0.00 -1.41 0.00 0.00 60.65 58.51 1n2j s ILE 283 Cb -0.01 -0.89 -0.09 0.00 0.13 0.00 0.00 42.46 41.60 1n2j s ILE 283 CO -0.12 -0.27 1.18 0.00 -1.91 0.00 0.00 174.94 173.83 1n2j s ALA 284 N -2.20 3.24 -0.03 1.50 0.00 -1.26 -1.08 121.76 121.93 1n2j s ALA 284 Ca -0.07 1.01 0.02 0.00 0.00 0.00 0.00 51.96 52.92 1n2j s ALA 284 Cb -0.02 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1n2j s ALA 284 CO -0.01 -0.50 -0.07 0.42 0.00 0.00 0.00 175.76 175.60 1n2j s ILE 285 N -1.34 0.67 -0.22 0.00 -1.09 -0.21 -4.84 121.20 114.18 1n2j s ILE 285 Ca 0.54 -0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.66 1n2j s ILE 285 Cb -0.32 -0.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.95 1n2j s ILE 285 CO 0.41 0.22 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.66 1n2j s GLU 286 N 0.37 3.12 -0.25 2.79 0.41 -1.26 -0.12 118.70 123.77 1n2j s GLU 286 Ca -0.05 -0.78 -0.21 0.00 -0.41 0.00 0.00 54.97 53.51 1n2j s GLU 286 Cb -0.10 -2.92 -0.02 0.00 -1.78 0.00 0.00 34.13 29.32 1n2j s GLU 286 CO 0.00 -0.27 0.66 0.42 -0.49 0.00 0.00 175.26 175.58 1n2j s ILE 287 N 1.39 4.97 0.00 -1.63 -1.09 0.36 -4.51 121.20 120.68 1n2j s ILE 287 Ca 0.04 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.66 1n2j s ILE 287 Cb -0.15 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1n2j s ILE 287 CO -0.06 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.29