#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n2i s PRO 4 N 0.00 1.33 0.32 0.38 0.04 -1.26 -4.96 135.00 130.85 1n2i s PRO 4 Ca 0.00 -0.19 -0.29 0.00 0.04 0.00 0.00 61.00 60.56 1n2i s PRO 4 Cb 0.00 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 1n2i s PRO 4 CO 0.00 -1.97 1.49 0.00 0.04 0.00 0.00 177.00 176.56 1n2i n ALA 5 N -3.50 2.12 -3.69 8.56 0.00 -1.26 -4.99 120.51 117.74 1n2i n ALA 5 Ca 0.12 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.69 1n2i n ALA 5 Cb 0.60 -2.39 -0.17 0.00 0.00 0.00 0.00 19.45 17.48 1n2i n ALA 5 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1n2i s PHE 6 N -0.54 0.41 -0.44 0.00 5.36 -1.26 -5.03 117.98 116.48 1n2i s PHE 6 Ca 0.60 -0.16 -0.12 0.00 -0.96 0.00 0.00 56.93 56.28 1n2i s PHE 6 Cb -0.52 -0.70 0.07 0.00 -0.34 0.00 0.00 43.02 41.53 1n2i s PHE 6 CO 0.56 -0.37 0.32 -1.01 -1.46 0.00 0.00 175.22 173.26 1n2i s HIS 7 N 2.06 3.29 0.51 10.12 3.76 -1.26 -5.07 115.29 128.70 1n2i s HIS 7 Ca 0.03 -1.18 -0.23 0.00 -0.15 0.00 0.00 55.06 53.53 1n2i s HIS 7 Cb -0.14 -3.00 -0.06 0.00 1.11 0.00 0.00 32.58 30.49 1n2i s HIS 7 CO -0.06 -0.80 1.35 -1.25 -0.85 0.00 0.00 174.74 173.13 1n2i s PRO 8 N 1.54 3.34 0.00 8.40 0.04 -1.26 -2.81 135.00 144.25 1n2i s PRO 8 Ca 0.03 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1n2i s PRO 8 Cb -0.23 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1n2i s PRO 8 CO 0.05 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1n2i n GLY 9 N 0.67 0.44 3.19 0.56 0.00 -1.26 -5.00 105.19 103.78 1n2i n GLY 9 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1n2i n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n2i s GLU 10 N -0.38 0.95 -0.16 1.61 2.02 -1.12 -5.06 118.70 116.56 1n2i s GLU 10 Ca 0.00 -1.44 -0.27 0.00 0.02 0.00 0.00 54.97 53.29 1n2i s GLU 10 Cb 0.00 -0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.15 1n2i s GLU 10 CO 0.00 -0.14 0.89 -1.17 0.02 0.00 0.00 175.26 174.86 1n2i s LEU 11 N -3.09 4.18 -0.20 1.80 2.96 -1.25 -4.41 118.68 118.67 1n2i s LEU 11 Ca 0.20 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.33 1n2i s LEU 11 Cb 0.06 -3.34 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 1n2i s LEU 11 CO 0.00 -0.44 0.00 0.20 -1.32 0.00 0.00 176.35 174.79 1n2i s ASN 12 N 1.15 4.84 -0.18 3.68 0.01 0.03 -4.98 114.94 119.48 1n2i s ASN 12 Ca 0.41 -0.20 -0.05 0.00 -0.71 0.00 0.00 52.86 52.31 1n2i s ASN 12 Cb -0.17 -1.83 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 1n2i s ASN 12 CO 0.13 0.06 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.08 1n2i s VAL 13 N 1.02 4.00 -0.04 1.60 1.01 -1.26 -0.88 120.40 125.85 1n2i s VAL 13 Ca 0.02 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1n2i s VAL 13 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1n2i s VAL 13 CO 0.02 0.45 -0.11 -0.31 0.00 0.00 0.00 175.10 175.15 1n2i s TYR 14 N 0.71 1.21 -0.14 5.22 1.51 -0.52 -4.98 117.35 120.35 1n2i s TYR 14 Ca -0.00 -0.34 0.14 0.00 -1.01 0.00 0.00 57.07 55.85 1n2i s TYR 14 Cb -0.14 -0.86 -0.20 0.00 -0.11 0.00 0.00 41.96 40.65 1n2i s TYR 14 CO 0.02 -0.15 0.08 -1.13 -1.11 0.00 0.00 175.55 173.26 1n2i n SER 15 N 3.37 1.13 -4.69 2.29 3.41 -1.26 -0.95 113.62 116.92 1n2i n SER 15 Ca -0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.99 1n2i n SER 15 Cb 0.53 0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 65.41 1n2i n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n2i s ALA 16 N -2.44 3.43 0.27 7.33 0.00 -1.26 -3.80 121.76 125.28 1n2i s ALA 16 Ca -0.08 0.57 -0.00 0.00 0.00 0.00 0.00 51.96 52.45 1n2i s ALA 16 Cb 0.05 -3.47 0.55 0.00 0.00 0.00 0.00 23.12 20.25 1n2i s ALA 16 CO 0.65 -0.64 1.76 -1.35 0.00 0.00 0.00 175.76 176.18 1n2i h PRO 17 N 7.23 0.61 -0.97 0.00 0.11 -1.92 -1.37 132.00 135.69 1n2i h PRO 17 Ca -0.35 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.78 1n2i h PRO 17 Cb 1.17 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 1n2i h PRO 17 CO 0.86 0.40 0.63 0.78 -0.21 0.00 0.00 178.00 180.46 1n2i h GLY 18 N 0.62 1.42 0.83 -0.55 0.00 -1.97 -0.03 103.07 103.40 1n2i h GLY 18 Ca 0.47 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n2i h GLY 18 CO -0.37 0.37 0.02 -0.55 0.00 0.00 0.00 176.54 176.01 1n2i h ASP 19 N 1.17 0.08 0.19 0.19 5.19 -1.65 -0.47 116.42 121.11 1n2i h ASP 19 Ca 0.40 -0.19 -0.12 0.00 -0.62 0.00 0.00 57.03 56.50 1n2i h ASP 19 Cb 0.09 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 1n2i h ASP 19 CO -0.14 0.25 -0.44 1.62 -3.12 0.00 0.00 179.24 177.41 1n2i h VAL 20 N -0.09 1.32 -0.42 -1.35 3.04 -1.27 -1.62 116.25 115.85 1n2i h VAL 20 Ca 0.02 -1.61 -0.03 0.00 -1.01 0.00 0.00 66.70 64.07 1n2i h VAL 20 Cb 0.20 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.17 1n2i h VAL 20 CO -0.00 0.49 0.16 0.00 -1.01 0.00 0.00 177.57 177.21 1n2i h ALA 21 N 1.27 0.55 -0.59 3.17 0.00 -0.88 0.04 119.26 122.82 1n2i h ALA 21 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1n2i h ALA 21 Cb 0.89 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1n2i h ALA 21 CO 0.07 0.16 0.15 -0.44 0.00 0.00 0.00 179.25 179.19 1n2i h ASP 22 N 0.53 0.89 -0.24 0.00 3.32 -0.87 -1.45 116.42 118.60 1n2i h ASP 22 Ca 0.14 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1n2i h ASP 22 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1n2i h ASP 22 CO -0.01 0.88 -0.02 0.58 -1.72 0.00 0.00 179.24 178.95 1n2i h VAL 23 N 0.85 1.27 -0.52 -1.35 2.07 -1.16 -1.79 116.25 115.62 1n2i h VAL 23 Ca 0.19 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1n2i h VAL 23 Cb 0.34 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1n2i h VAL 23 CO 0.00 0.30 0.30 -1.28 0.02 0.00 0.00 177.57 176.91 1n2i h SER 24 N 0.19 0.47 -0.14 0.57 0.87 -0.92 -0.61 113.55 113.97 1n2i h SER 24 Ca 0.06 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1n2i h SER 24 Cb 0.45 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1n2i h SER 24 CO 0.02 0.33 0.08 -0.09 -0.53 0.00 0.00 176.83 176.63 1n2i h ARG 25 N 0.59 0.19 -0.65 2.24 2.43 -1.21 0.20 114.38 118.17 1n2i h ARG 25 Ca 0.21 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1n2i h ARG 25 Cb 0.05 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 1n2i h ARG 25 CO -0.11 0.21 0.38 0.00 -1.51 0.00 0.00 179.97 178.94 1n2i h ALA 26 N 0.97 0.86 -0.07 2.80 0.00 -1.08 0.03 119.26 122.78 1n2i h ALA 26 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1n2i h ALA 26 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1n2i h ALA 26 CO -0.01 0.10 0.04 -0.07 0.00 0.00 0.00 179.25 179.31 1n2i h LEU 27 N 0.73 0.09 -1.57 0.00 3.38 -0.81 -2.56 115.31 114.57 1n2i h LEU 27 Ca 0.28 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1n2i h LEU 27 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1n2i h LEU 27 CO -0.14 0.14 -0.00 0.03 0.09 0.00 0.00 178.44 178.56 1n2i h ARG 28 N 0.03 0.26 0.00 1.13 3.08 -0.51 -1.00 114.38 117.38 1n2i h ARG 28 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1n2i h ARG 28 Cb 0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1n2i h ARG 28 CO -0.00 0.29 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.09 1n2i h LEU 29 N 0.26 0.00 -2.87 3.04 3.38 -0.62 -2.62 115.31 115.88 1n2i h LEU 29 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n2i h LEU 29 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1n2i h LEU 29 CO 0.00 0.03 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1n2i n THR 30 N -3.15 1.27 0.00 0.22 -2.24 -0.41 -4.96 114.28 105.02 1n2i n THR 30 Ca 0.00 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1n2i n THR 30 Cb 0.30 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1n2i n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n2i n GLY 31 N 1.53 1.31 3.78 3.38 0.00 -0.99 -5.07 105.19 109.13 1n2i n GLY 31 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1n2i n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n2i s ARG 32 N -0.96 4.13 -0.23 1.61 1.81 -1.04 -5.00 118.95 119.27 1n2i s ARG 32 Ca 0.00 1.65 -0.11 0.00 -1.72 0.00 0.00 55.73 55.55 1n2i s ARG 32 Cb 0.00 -2.62 -0.05 0.00 -0.45 0.00 0.00 34.95 31.83 1n2i s ARG 32 CO 0.00 -0.20 0.16 1.03 -0.68 0.00 0.00 175.30 175.61 1n2i s ARG 33 N -2.37 4.10 -0.14 3.54 0.52 -0.58 -4.00 118.95 120.02 1n2i s ARG 33 Ca 0.57 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.33 1n2i s ARG 33 Cb -0.26 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1n2i s ARG 33 CO 0.32 0.11 0.62 0.08 0.02 0.00 0.00 175.30 176.45 1n2i s VAL 34 N 0.91 5.06 -0.13 3.52 1.01 -1.26 -1.21 120.40 128.31 1n2i s VAL 34 Ca 0.08 1.21 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 1n2i s VAL 34 Cb -0.13 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1n2i s VAL 34 CO 0.03 0.20 -0.05 -0.04 0.00 0.00 0.00 175.10 175.24 1n2i s MET 35 N 1.31 3.39 -0.11 2.72 1.00 -0.48 -0.18 119.30 126.94 1n2i s MET 35 Ca 0.31 -0.53 0.01 0.00 0.00 0.00 0.00 55.69 55.47 1n2i s MET 35 Cb -0.16 -2.81 -0.02 0.00 0.00 0.00 0.00 34.83 31.84 1n2i s MET 35 CO 0.13 0.37 -0.14 -1.17 0.00 0.00 0.00 175.02 174.21 1n2i s LEU 36 N 0.00 2.71 -0.34 -0.03 2.96 -0.48 -0.70 118.68 122.80 1n2i s LEU 36 Ca 0.00 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1n2i s LEU 36 Cb -0.13 -1.60 0.10 0.00 0.50 0.00 0.00 46.19 45.06 1n2i s LEU 36 CO 0.03 0.20 0.07 -0.69 -1.32 0.00 0.00 176.35 174.64 1n2i s VAL 37 N 0.14 1.81 0.07 1.68 1.01 0.02 -1.35 120.40 123.78 1n2i s VAL 37 Ca -0.07 -2.06 -0.30 0.00 0.00 0.00 0.00 61.98 59.55 1n2i s VAL 37 Cb -0.15 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1n2i s VAL 37 CO 0.05 -0.64 1.01 -2.84 0.00 0.00 0.00 175.10 172.69 1n2i s PRO 38 N 1.10 4.60 0.20 2.72 0.02 -1.26 -1.73 135.00 140.64 1n2i s PRO 38 Ca 0.11 1.51 -0.04 0.00 0.02 0.00 0.00 61.00 62.60 1n2i s PRO 38 Cb -0.19 -3.39 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 1n2i s PRO 38 CO -0.13 0.05 0.21 0.95 -0.33 0.00 0.00 177.00 177.74 1n2i s THR 39 N 0.45 0.02 -0.26 0.99 -4.23 -0.27 -4.92 115.64 107.42 1n2i s THR 39 Ca 0.50 -1.79 0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1n2i s THR 39 Cb -0.24 -2.30 0.50 0.00 1.34 0.00 0.00 72.50 71.80 1n2i s THR 39 CO 0.30 -0.10 1.44 0.23 -0.54 0.00 0.00 174.62 175.94 1n2i n MET 40 N -0.26 2.00 0.00 3.99 2.81 -1.26 -2.19 117.12 122.21 1n2i n MET 40 Ca -0.01 -3.10 0.00 0.00 -1.81 0.00 0.00 57.70 52.78 1n2i n MET 40 Cb 0.64 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1n2i n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n2i n GLY 41 N -1.03 -0.74 3.63 3.03 0.00 -1.26 -4.58 105.19 104.24 1n2i n GLY 41 Ca 0.30 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1n2i n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2i n ALA 42 N 1.61 -2.19 -1.86 4.61 0.00 -1.26 -4.87 120.51 116.55 1n2i n ALA 42 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1n2i n ALA 42 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 19.45 16.52 1n2i n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n2i s LEU 43 N -6.45 4.41 0.00 0.00 1.43 -1.26 -4.74 118.68 112.07 1n2i s LEU 43 Ca 0.16 2.62 0.03 0.00 -1.03 0.00 0.00 54.13 55.91 1n2i s LEU 43 Cb -0.04 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1n2i s LEU 43 CO 0.81 -0.60 0.09 0.00 0.23 0.00 0.00 176.35 176.88 1n2i n HIS 44 N 1.79 -0.15 0.30 0.29 1.44 -1.26 -4.93 115.22 112.70 1n2i n HIS 44 Ca 0.04 -1.14 0.15 0.00 -2.01 0.00 0.00 57.72 54.76 1n2i n HIS 44 Cb 0.41 0.06 0.93 0.00 0.12 0.00 0.00 29.99 31.51 1n2i n HIS 44 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1n2i h GLU 45 N 0.00 0.00 -0.20 -1.40 4.39 -1.99 -1.59 114.58 113.79 1n2i h GLU 45 Ca -0.11 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1n2i h GLU 45 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1n2i h GLU 45 CO 0.17 0.01 0.05 0.78 -1.16 0.00 0.00 179.01 178.87 1n2i h GLY 46 N 0.06 0.35 1.28 -3.84 0.00 -1.90 -2.28 103.07 96.74 1n2i h GLY 46 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1n2i h GLY 46 CO 0.00 0.20 0.18 0.45 0.00 0.00 0.00 176.54 177.37 1n2i h HIS 47 N 0.14 0.93 0.00 5.60 3.86 -1.71 -2.71 115.15 121.27 1n2i h HIS 47 Ca 0.06 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1n2i h HIS 47 Cb 0.26 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1n2i h HIS 47 CO 0.01 0.76 -0.21 -0.07 0.86 0.00 0.00 177.93 179.27 1n2i h LEU 48 N 0.88 0.00 -0.86 2.43 3.38 -1.18 -1.54 115.31 118.43 1n2i h LEU 48 Ca 0.20 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1n2i h LEU 48 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1n2i h LEU 48 CO -0.01 0.21 -0.04 0.00 0.09 0.00 0.00 178.44 178.69 1n2i h ALA 49 N 1.79 1.04 -0.32 1.53 0.00 -1.08 0.16 119.26 122.38 1n2i h ALA 49 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1n2i h ALA 49 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1n2i h ALA 49 CO 0.03 0.59 -0.02 -0.07 0.00 0.00 0.00 179.25 179.78 1n2i h LEU 50 N 0.74 0.57 -0.35 0.00 4.07 -1.29 -0.30 115.31 118.76 1n2i h LEU 50 Ca 0.14 -0.32 0.03 0.00 0.08 0.00 0.00 57.88 57.80 1n2i h LEU 50 Cb 0.51 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1n2i h LEU 50 CO 0.03 0.76 0.17 0.58 -1.08 0.00 0.00 178.44 178.89 1n2i h VAL 51 N 0.37 0.97 -0.46 1.22 2.07 -0.98 -0.62 116.25 118.82 1n2i h VAL 51 Ca 0.09 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1n2i h VAL 51 Cb 0.48 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1n2i h VAL 51 CO 0.02 0.06 0.00 0.03 0.02 0.00 0.00 177.57 177.71 1n2i h ARG 52 N 0.35 0.76 -0.75 1.57 3.08 -0.60 0.92 114.38 119.72 1n2i h ARG 52 Ca 0.15 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1n2i h ARG 52 Cb 0.07 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1n2i h ARG 52 CO -0.11 0.77 0.41 0.00 -1.07 0.00 0.00 179.97 179.97 1n2i h ALA 53 N 1.29 0.97 -0.29 0.04 0.00 -0.59 -1.97 119.26 118.71 1n2i h ALA 53 Ca 0.14 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1n2i h ALA 53 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1n2i h ALA 53 CO 0.02 0.49 -0.17 0.00 0.00 0.00 0.00 179.25 179.58 1n2i h ALA 54 N 1.21 0.41 0.00 0.00 0.00 -0.56 -3.20 119.26 117.12 1n2i h ALA 54 Ca 0.26 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1n2i h ALA 54 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1n2i h ALA 54 CO -0.04 0.32 -0.19 -0.22 0.00 0.00 0.00 179.25 179.12 1n2i h LYS 55 N 0.37 0.00 0.00 0.00 3.64 -0.58 -2.54 116.57 117.46 1n2i h LYS 55 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1n2i h LYS 55 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1n2i h LYS 55 CO 0.05 0.19 0.00 0.07 -2.27 0.00 0.00 179.45 177.49 1n2i h ARG 56 N 0.00 0.00 -6.39 1.90 0.11 -1.35 -3.44 114.38 105.20 1n2i h ARG 56 Ca -0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1n2i h ARG 56 Cb 0.39 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.49 1n2i h ARG 56 CO 0.02 0.00 1.00 0.08 0.10 0.00 0.00 179.97 181.18 1n2i s VAL 57 N -3.30 3.26 0.18 0.08 1.01 -0.96 -4.90 120.40 115.76 1n2i s VAL 57 Ca 0.06 0.61 -0.33 0.00 0.00 0.00 0.00 61.98 62.32 1n2i s VAL 57 Cb 0.09 -3.39 -0.14 0.00 0.00 0.00 0.00 36.38 32.94 1n2i s VAL 57 CO 0.53 -0.02 1.43 -2.65 0.00 0.00 0.00 175.10 174.39 1n2i n PRO 58 N 5.98 1.82 -1.19 2.72 -0.02 -1.26 -1.85 135.00 141.20 1n2i n PRO 58 Ca 0.16 0.65 -0.06 0.00 -2.02 0.00 0.00 63.50 62.23 1n2i n PRO 58 Cb 0.41 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1n2i n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n2i n GLY 59 N 2.65 0.83 3.84 -1.23 0.00 -1.26 -4.77 105.19 105.24 1n2i n GLY 59 Ca 0.15 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1n2i n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n2i s SER 60 N -2.56 6.72 -0.08 1.61 1.04 -0.77 -1.53 113.70 118.13 1n2i s SER 60 Ca 0.00 1.60 0.02 0.00 0.48 0.00 0.00 55.95 58.06 1n2i s SER 60 Cb 0.00 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.61 1n2i s SER 60 CO 0.00 -0.51 -0.16 0.54 0.98 0.00 0.00 173.24 174.09 1n2i s VAL 61 N -2.48 1.44 -0.17 5.02 0.11 -0.35 -4.85 120.40 119.11 1n2i s VAL 61 Ca 0.60 -0.64 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1n2i s VAL 61 Cb -0.10 -1.29 -0.05 0.00 -1.53 0.00 0.00 36.38 33.41 1n2i s VAL 61 CO 0.26 0.42 0.13 -0.69 -3.33 0.00 0.00 175.10 171.89 1n2i s VAL 62 N 0.69 5.43 -0.17 2.04 1.01 -1.26 -1.38 120.40 126.75 1n2i s VAL 62 Ca -0.13 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1n2i s VAL 62 Cb -0.16 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1n2i s VAL 62 CO 0.03 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 1n2i s VAL 63 N -0.07 2.57 -0.20 2.92 1.01 0.13 -2.52 120.40 124.23 1n2i s VAL 63 Ca 0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1n2i s VAL 63 Cb -0.11 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1n2i s VAL 63 CO -0.00 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 174.90 1n2i s VAL 64 N 1.10 3.73 -0.01 2.92 1.01 -0.25 -0.80 120.40 128.10 1n2i s VAL 64 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1n2i s VAL 64 Cb -0.14 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1n2i s VAL 64 CO -0.05 0.43 0.29 -0.94 0.00 0.00 0.00 175.10 174.83 1n2i s SER 65 N 1.11 6.55 -0.19 3.32 1.04 -0.71 -0.62 113.70 124.21 1n2i s SER 65 Ca 0.02 0.64 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 1n2i s SER 65 Cb -0.14 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 63.90 1n2i s SER 65 CO 0.01 0.28 -0.02 -0.63 0.98 0.00 0.00 173.24 173.86 1n2i s ILE 66 N -1.23 0.98 -0.27 -1.02 1.01 -0.27 -1.12 121.20 119.28 1n2i s ILE 66 Ca 0.25 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 1n2i s ILE 66 Cb -0.14 -1.31 0.14 0.00 0.01 0.00 0.00 42.46 41.16 1n2i s ILE 66 CO 0.14 -0.06 0.56 0.12 0.00 0.00 0.00 174.94 175.70 1n2i s PHE 67 N 1.66 -1.23 -0.87 3.97 5.36 -0.93 -4.24 117.98 121.71 1n2i s PHE 67 Ca -0.02 1.84 -0.23 0.00 -0.96 0.00 0.00 56.93 57.57 1n2i s PHE 67 Cb -0.17 0.55 0.07 0.00 -0.34 0.00 0.00 43.02 43.13 1n2i s PHE 67 CO -0.07 -0.68 1.24 0.08 -1.46 0.00 0.00 175.22 174.33 1n2i s VAL 68 N 2.79 4.15 -0.39 3.12 1.01 -1.26 -4.36 120.40 125.45 1n2i s VAL 68 Ca 0.03 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1n2i s VAL 68 Cb -0.13 -4.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.32 1n2i s VAL 68 CO -0.18 -1.72 2.03 0.21 0.00 0.00 0.00 175.10 175.44 1n2i s ASN 69 N 4.14 5.37 0.54 3.32 2.47 -1.26 -4.89 114.94 124.63 1n2i s ASN 69 Ca 0.36 1.21 0.20 0.00 0.42 0.00 0.00 52.86 55.05 1n2i s ASN 69 Cb -0.06 -2.52 1.42 0.00 -1.45 0.00 0.00 41.25 38.64 1n2i s ASN 69 CO -0.01 -2.14 2.17 -0.65 -3.72 0.00 0.00 177.10 172.76 1n2i h PRO 70 N 15.16 0.00 0.00 0.43 0.11 -1.96 -2.88 132.00 142.86 1n2i h PRO 70 Ca -0.32 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1n2i h PRO 70 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1n2i h PRO 70 CO 1.08 0.00 -0.08 1.98 -0.21 0.00 0.00 178.00 180.77 1n2i h MET 71 N 0.00 0.00 -0.27 1.05 4.05 -1.90 -2.36 114.93 115.50 1n2i h MET 71 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1n2i h MET 71 Cb 0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1n2i h MET 71 CO -0.00 0.08 0.00 0.00 0.23 0.00 0.00 176.91 177.22 1n2i n GLN 72 N -3.46 1.99 -4.27 0.39 10.64 -1.09 -4.30 117.38 117.29 1n2i n GLN 72 Ca -0.02 -1.50 -0.34 0.00 -1.83 0.00 0.00 57.00 53.32 1n2i n GLN 72 Cb 0.22 -1.42 -0.09 0.00 -0.86 0.00 0.00 30.24 28.10 1n2i n GLN 72 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1n2i s PHE 73 N -1.65 3.16 -0.06 2.61 0.40 -0.89 -4.69 117.98 116.86 1n2i s PHE 73 Ca 0.33 0.16 -0.06 0.00 -0.60 0.00 0.00 56.93 56.77 1n2i s PHE 73 Cb 0.18 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1n2i s PHE 73 CO 0.27 0.49 0.18 0.20 0.70 0.00 0.00 175.22 177.06 1n2i s GLY 74 N -1.35 2.19 0.91 4.36 0.00 -1.26 -5.02 107.32 107.15 1n2i s GLY 74 Ca 0.18 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 1n2i s GLY 74 CO 0.08 -0.47 -0.16 0.00 0.00 0.00 0.00 173.10 172.55 1n2i n ALA 75 N 1.47 -3.80 0.00 3.20 0.00 -1.26 -4.52 120.51 115.60 1n2i n ALA 75 Ca -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1n2i n ALA 75 Cb 0.54 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1n2i n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n2i n GLY 76 N 2.49 1.12 3.10 0.00 0.00 -1.26 -4.77 105.19 105.87 1n2i n GLY 76 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1n2i n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n2i n GLY 77 N 0.00 1.13 0.30 -0.02 0.00 -1.26 -4.90 105.19 100.44 1n2i n GLY 77 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1n2i n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n2i h ASP 78 N 0.00 0.99 -0.25 1.61 5.19 -1.86 -1.22 116.42 120.89 1n2i h ASP 78 Ca 0.00 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.16 1n2i h ASP 78 Cb 0.00 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 1n2i h ASP 78 CO 0.00 0.95 0.04 0.25 -3.12 0.00 0.00 179.24 177.37 1n2i h LEU 79 N 0.98 0.39 -1.57 1.55 5.85 -1.90 -2.41 115.31 118.20 1n2i h LEU 79 Ca 0.21 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1n2i h LEU 79 Cb 0.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1n2i h LEU 79 CO -0.00 0.54 -0.23 0.44 -0.34 0.00 0.00 178.44 178.85 1n2i h ASP 80 N 0.22 0.00 0.90 1.25 3.32 -1.94 -2.82 116.42 117.34 1n2i h ASP 80 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1n2i h ASP 80 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1n2i h ASP 80 CO 0.00 0.23 -0.12 0.00 -1.72 0.00 0.00 179.24 177.64 1n2i n ALA 81 N -2.41 2.60 -1.81 3.45 0.00 -0.47 -4.89 120.51 116.97 1n2i n ALA 81 Ca -0.02 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1n2i n ALA 81 Cb 0.31 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 1n2i n ALA 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1n2i s TYR 82 N -3.00 2.87 0.30 0.00 5.04 -0.93 -4.91 117.35 116.72 1n2i s TYR 82 Ca 0.13 0.87 -0.29 0.00 -2.44 0.00 0.00 57.07 55.34 1n2i s TYR 82 Cb 0.18 -3.96 -0.11 0.00 0.35 0.00 0.00 41.96 38.43 1n2i s TYR 82 CO 0.57 -3.21 1.45 -1.25 -1.34 0.00 0.00 175.55 171.78 1n2i s PRO 83 N -0.38 4.22 -0.12 4.97 0.04 -1.26 -5.01 135.00 137.46 1n2i s PRO 83 Ca 0.62 2.40 -0.01 0.00 0.04 0.00 0.00 61.00 64.05 1n2i s PRO 83 Cb -0.45 -3.05 0.03 0.00 0.04 0.00 0.00 34.50 31.07 1n2i s PRO 83 CO 0.45 -0.44 -0.06 1.03 0.04 0.00 0.00 177.00 178.03 1n2i s ARG 84 N -1.06 1.35 -0.42 4.56 0.52 -1.26 -4.51 118.95 118.14 1n2i s ARG 84 Ca 0.57 -0.28 0.10 0.00 -0.52 0.00 0.00 55.73 55.60 1n2i s ARG 84 Cb -0.44 -1.63 0.32 0.00 0.52 0.00 0.00 34.95 33.72 1n2i s ARG 84 CO 0.50 -0.33 0.72 0.25 0.02 0.00 0.00 175.30 176.46 1n2i n THR 85 N 4.96 0.29 -0.24 0.02 -2.24 -1.26 -5.00 114.28 110.80 1n2i n THR 85 Ca -0.11 -4.63 -0.03 0.00 -2.27 0.00 0.00 64.05 57.01 1n2i n THR 85 Cb 0.49 -0.88 0.03 0.00 -2.10 0.00 0.00 70.33 67.88 1n2i n THR 85 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1n2i h PRO 86 N 3.27 -0.09 -0.56 -0.78 0.11 -1.99 -0.27 132.00 131.70 1n2i h PRO 86 Ca 0.10 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 1n2i h PRO 86 Cb 0.87 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1n2i h PRO 86 CO 0.55 -0.06 0.16 -0.44 -0.21 0.00 0.00 178.00 178.00 1n2i h ASP 87 N -0.10 0.83 -0.26 -2.05 3.32 -2.00 -2.19 116.42 113.97 1n2i h ASP 87 Ca 0.28 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1n2i h ASP 87 Cb 0.56 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1n2i h ASP 87 CO -0.75 0.83 -0.30 0.44 -1.72 0.00 0.00 179.24 177.74 1n2i h ASP 88 N 0.79 0.80 -0.16 6.45 3.32 -1.90 -2.19 116.42 123.52 1n2i h ASP 88 Ca 0.18 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 56.94 1n2i h ASP 88 Cb 0.31 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1n2i h ASP 88 CO -0.00 1.04 -0.06 0.44 -1.72 0.00 0.00 179.24 178.94 1n2i h ASP 89 N 0.66 -0.20 0.12 6.45 3.32 -0.69 -0.21 116.42 125.87 1n2i h ASP 89 Ca 0.08 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1n2i h ASP 89 Cb 0.83 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1n2i h ASP 89 CO 0.07 -0.08 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.11 1n2i h LEU 90 N -0.03 0.32 -0.65 1.55 3.38 -1.37 -1.15 115.31 117.36 1n2i h LEU 90 Ca 0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1n2i h LEU 90 Cb 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1n2i h LEU 90 CO -0.19 0.63 0.18 0.00 0.09 0.00 0.00 178.44 179.16 1n2i h ALA 91 N 1.39 0.85 -0.61 1.53 0.00 -0.84 -0.23 119.26 121.36 1n2i h ALA 91 Ca 0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1n2i h ALA 91 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1n2i h ALA 91 CO 0.05 0.55 0.11 1.96 0.00 0.00 0.00 179.25 181.92 1n2i h GLN 92 N 0.95 1.00 -0.55 0.00 4.20 -0.64 -1.19 115.11 118.89 1n2i h GLN 92 Ca 0.21 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1n2i h GLN 92 Cb 0.33 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1n2i h GLN 92 CO -0.00 0.94 0.11 -0.07 -0.67 0.00 0.00 178.83 179.13 1n2i h LEU 93 N 0.91 0.81 -0.35 1.46 3.38 -0.82 -1.57 115.31 119.12 1n2i h LEU 93 Ca 0.19 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1n2i h LEU 93 Cb 0.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1n2i h LEU 93 CO 0.01 0.81 0.11 0.03 0.09 0.00 0.00 178.44 179.49 1n2i h ARG 94 N 0.82 0.55 0.00 1.13 3.08 -0.73 -1.59 114.38 117.64 1n2i h ARG 94 Ca 0.18 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1n2i h ARG 94 Cb 0.34 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1n2i h ARG 94 CO 0.00 0.58 -0.09 0.00 -1.07 0.00 0.00 179.97 179.39 1n2i h ALA 95 N 0.95 1.65 -0.01 0.04 0.00 -0.90 -1.52 119.26 119.46 1n2i h ALA 95 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n2i h ALA 95 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n2i h ALA 95 CO -0.00 0.12 -0.07 0.39 0.00 0.00 0.00 179.25 179.68 1n2i n GLU 96 N -4.14 1.08 -1.67 0.00 -0.58 -0.62 -4.92 120.64 109.79 1n2i n GLU 96 Ca -0.03 -0.45 -0.06 0.00 -0.42 0.00 0.00 57.16 56.20 1n2i n GLU 96 Cb 0.18 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.54 1n2i n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n2i n GLY 97 N 1.20 0.47 3.75 0.62 0.00 -0.57 -5.00 105.19 105.65 1n2i n GLY 97 Ca 0.17 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1n2i n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2i s VAL 98 N -2.27 3.64 -0.16 1.61 1.01 -0.64 -4.96 120.40 118.63 1n2i s VAL 98 Ca 0.00 1.52 0.22 0.00 0.00 0.00 0.00 61.98 63.72 1n2i s VAL 98 Cb 0.00 -3.97 -0.20 0.00 0.00 0.00 0.00 36.38 32.21 1n2i s VAL 98 CO 0.00 0.31 0.73 -0.62 0.00 0.00 0.00 175.10 175.52 1n2i n GLU 99 N 1.84 0.60 -3.86 2.72 1.02 -1.25 -3.93 120.64 117.79 1n2i n GLU 99 Ca 0.01 -0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 56.92 1n2i n GLU 99 Cb 0.45 -1.64 -0.16 0.00 -0.02 0.00 0.00 31.44 30.07 1n2i n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n2i s ILE 100 N -3.43 0.09 -0.15 -3.67 1.01 -1.05 -0.79 121.20 113.21 1n2i s ILE 100 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1n2i s ILE 100 Cb 0.12 -0.21 -0.00 0.00 0.01 0.00 0.00 42.46 42.38 1n2i s ILE 100 CO 0.86 0.13 -0.15 0.00 0.00 0.00 0.00 174.94 175.78 1n2i s ALA 101 N 1.13 2.50 -0.30 9.38 0.00 -0.06 -1.09 121.76 133.33 1n2i s ALA 101 Ca -0.08 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 1n2i s ALA 101 Cb -0.13 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.79 1n2i s ALA 101 CO -0.02 0.01 0.08 0.12 0.00 0.00 0.00 175.76 175.95 1n2i s PHE 102 N 0.75 3.15 -0.59 0.00 5.36 0.21 -1.44 117.98 125.42 1n2i s PHE 102 Ca -0.06 -0.97 0.06 0.00 -0.96 0.00 0.00 56.93 55.00 1n2i s PHE 102 Cb -0.15 -2.26 0.23 0.00 -0.34 0.00 0.00 43.02 40.50 1n2i s PHE 102 CO 0.01 -0.57 0.64 0.25 -1.46 0.00 0.00 175.22 174.08 1n2i n THR 103 N 4.87 1.45 -1.50 0.12 -2.24 -0.13 -1.12 114.28 115.73 1n2i n THR 103 Ca -0.14 -4.83 -0.32 0.00 -2.27 0.00 0.00 64.05 56.49 1n2i n THR 103 Cb 0.48 -2.06 0.07 0.00 -2.10 0.00 0.00 70.33 66.71 1n2i n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1n2i s PRO 104 N -1.92 2.59 0.50 -0.78 0.04 -1.25 -4.37 135.00 129.81 1n2i s PRO 104 Ca 0.36 1.20 -0.04 0.00 0.04 0.00 0.00 61.00 62.57 1n2i s PRO 104 Cb 0.12 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1n2i s PRO 104 CO -0.07 -1.39 0.78 0.95 0.04 0.00 0.00 177.00 177.31 1n2i s THR 105 N -2.73 4.29 0.26 1.26 -4.23 -1.26 -4.90 115.64 108.33 1n2i s THR 105 Ca 0.63 -0.09 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 1n2i s THR 105 Cb -0.18 -3.64 0.16 0.00 1.34 0.00 0.00 72.50 70.19 1n2i s THR 105 CO 0.50 -0.57 1.82 0.74 -0.54 0.00 0.00 174.62 176.57 1n2i h THR 106 N 0.18 1.23 -0.41 3.99 2.02 -1.96 -2.52 112.91 115.44 1n2i h THR 106 Ca -0.46 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 65.86 1n2i h THR 106 Cb 1.23 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1n2i h THR 106 CO 0.60 0.31 -0.05 0.00 0.37 0.00 0.00 175.52 176.75 1n2i h ALA 107 N 1.30 1.16 -0.06 6.16 0.00 -1.94 0.14 119.26 126.02 1n2i h ALA 107 Ca 0.21 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1n2i h ALA 107 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1n2i h ALA 107 CO -0.01 0.54 -0.51 0.00 0.00 0.00 0.00 179.25 179.26 1n2i h ALA 108 N 1.32 1.02 0.07 0.00 0.00 -1.88 -2.44 119.26 117.35 1n2i h ALA 108 Ca 0.12 -0.48 -0.29 0.00 0.00 0.00 0.00 54.91 54.26 1n2i h ALA 108 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1n2i h ALA 108 CO 0.02 0.66 -1.52 0.52 0.00 0.00 0.00 179.25 178.94 1n2i h MET 109 N 0.14 0.15 -2.01 0.00 2.07 -1.19 -3.40 114.93 110.69 1n2i h MET 109 Ca 0.00 -0.26 -0.55 0.00 -2.07 0.00 0.00 59.70 56.82 1n2i h MET 109 Cb 0.96 0.10 -0.41 0.00 -1.87 0.00 0.00 31.60 30.37 1n2i h MET 109 CO 0.08 0.96 -0.84 0.66 1.07 0.00 0.00 176.91 178.84 1n2i n TYR 110 N -3.35 2.76 0.27 -0.22 4.02 0.47 -4.88 117.16 116.23 1n2i n TYR 110 Ca -0.15 -3.74 0.13 0.00 -0.01 0.00 0.00 57.90 54.13 1n2i n TYR 110 Cb 1.03 -0.40 0.78 0.00 -0.02 0.00 0.00 39.34 40.73 1n2i n TYR 110 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1n2i h PRO 111 N 2.93 0.00 -0.28 -0.72 0.13 -1.65 -2.19 132.00 130.23 1n2i h PRO 111 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 1n2i h PRO 111 Cb 0.73 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.82 1n2i h PRO 111 CO 0.72 0.07 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.29 1n2i n ASP 112 N -3.86 3.32 0.00 1.44 8.00 -1.26 -5.08 116.55 119.11 1n2i n ASP 112 Ca -0.02 -3.27 0.00 0.00 0.71 0.00 0.00 54.79 52.21 1n2i n ASP 112 Cb 0.16 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1n2i n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n2i n GLY 113 N -0.79 0.94 3.45 0.44 0.00 -0.82 -4.23 105.19 104.18 1n2i n GLY 113 Ca 0.25 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 1n2i n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n2i s LEU 114 N 0.00 5.01 0.00 0.99 1.43 -1.26 -4.85 118.68 120.00 1n2i s LEU 114 Ca 0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1n2i s LEU 114 Cb 0.00 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1n2i s LEU 114 CO 0.00 -0.76 0.00 -1.14 0.23 0.00 0.00 176.35 174.68 1n2i n ARG 115 N 5.86 0.00 -2.66 1.70 0.63 -1.26 -5.02 116.66 115.91 1n2i n ARG 115 Ca -0.07 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.44 1n2i n ARG 115 Cb 0.46 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.33 1n2i n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1n2i s THR 116 N 0.54 4.40 0.21 5.15 2.01 -1.26 -5.03 115.64 121.66 1n2i s THR 116 Ca 0.00 1.93 -0.01 0.00 0.31 0.00 0.00 61.69 63.92 1n2i s THR 116 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1n2i s THR 116 CO 0.00 0.26 0.14 0.42 -0.69 0.00 0.00 174.62 174.76 1n2i s THR 117 N 0.22 0.00 -0.14 -0.82 -4.23 -1.26 -5.12 115.64 104.29 1n2i s THR 117 Ca 0.49 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.88 1n2i s THR 117 Cb -0.25 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 1n2i s THR 117 CO 0.30 0.00 0.28 -0.69 -0.54 0.00 0.00 174.62 173.98 1n2i s VAL 118 N -4.11 5.30 -0.41 2.29 1.01 -1.26 -5.05 120.40 118.16 1n2i s VAL 118 Ca 0.39 0.53 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 1n2i s VAL 118 Cb 0.07 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1n2i s VAL 118 CO 0.13 0.43 0.27 -1.58 0.00 0.00 0.00 175.10 174.36 1n2i s GLN 119 N 0.16 2.83 0.95 2.72 2.00 -1.26 -4.62 119.66 122.43 1n2i s GLN 119 Ca 0.17 -1.20 -0.12 0.00 -2.00 0.00 0.00 55.36 52.21 1n2i s GLN 119 Cb -0.13 -3.87 0.16 0.00 0.80 0.00 0.00 33.01 29.97 1n2i s GLN 119 CO 0.05 -0.83 1.09 -2.14 -0.50 0.00 0.00 175.29 172.96 1n2i s PRO 120 N 1.57 0.85 1.00 1.67 0.02 -1.26 -5.04 135.00 133.80 1n2i s PRO 120 Ca 0.03 0.76 -0.17 0.00 0.02 0.00 0.00 61.00 61.64 1n2i s PRO 120 Cb -0.21 -1.77 0.25 0.00 0.02 0.00 0.00 34.50 32.79 1n2i s PRO 120 CO 0.06 -2.51 0.91 0.41 -0.33 0.00 0.00 177.00 175.55 1n2i n GLY 121 N -0.93 -2.64 0.43 0.52 0.00 -1.26 -4.87 105.19 96.43 1n2i n GLY 121 Ca 0.06 -1.50 0.25 0.00 0.00 0.00 0.00 46.02 44.83 1n2i n GLY 121 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n2i h PRO 122 N 0.00 0.00 -0.25 1.61 0.11 -2.03 -2.12 132.00 129.33 1n2i h PRO 122 Ca -0.34 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.84 1n2i h PRO 122 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1n2i h PRO 122 CO 0.22 0.00 0.19 1.25 -0.21 0.00 0.00 178.00 179.45 1n2i h LEU 123 N 0.00 0.00 -1.25 2.35 5.85 -1.93 -1.60 115.31 118.73 1n2i h LEU 123 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1n2i h LEU 123 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1n2i h LEU 123 CO -0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1n2i h ALA 124 N 1.86 1.00 -0.02 1.25 0.00 -1.71 -1.75 119.26 119.89 1n2i h ALA 124 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n2i h ALA 124 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n2i h ALA 124 CO -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 1n2i n ALA 125 N -1.85 2.75 -2.37 0.00 0.00 -0.60 -4.02 120.51 114.41 1n2i n ALA 125 Ca 0.00 -0.50 -0.23 0.00 0.00 0.00 0.00 53.44 52.72 1n2i n ALA 125 Cb 0.16 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 1n2i n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1n2i s GLU 126 N -2.15 2.36 3.02 0.00 2.02 -0.66 -2.61 118.70 120.67 1n2i s GLU 126 Ca 0.31 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1n2i s GLU 126 Cb 0.20 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1n2i s GLU 126 CO 0.39 -0.11 0.00 1.28 0.02 0.00 0.00 175.26 176.84 1n2i n LEU 127 N -1.33 0.00 0.12 1.80 4.77 -1.26 -0.20 117.00 120.89 1n2i n LEU 127 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1n2i n LEU 127 Cb 0.63 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.33 1n2i n LEU 127 CO 0.44 0.00 1.13 -0.33 -1.33 0.00 0.00 177.39 177.30 1n2i h GLU 128 N 0.00 0.12 0.00 3.23 4.39 -1.93 -2.19 114.58 118.21 1n2i h GLU 128 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1n2i h GLU 128 Cb 0.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1n2i h GLU 128 CO 0.00 0.08 0.00 0.78 -1.16 0.00 0.00 179.01 178.71 1n2i h GLY 129 N 0.13 0.00 -0.20 -3.84 0.00 -0.72 -3.35 103.07 95.10 1n2i h GLY 129 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1n2i h GLY 129 CO -0.02 0.00 -0.50 -1.33 0.00 0.00 0.00 176.54 174.69 1n2i h GLY 130 N 3.72 -1.12 -1.19 4.60 0.00 -1.13 -1.87 103.07 106.08 1n2i h GLY 130 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1n2i h GLY 130 CO 0.00 -0.21 0.00 -1.55 0.00 0.00 0.00 176.54 174.78 1n2i n PRO 131 N -5.17 1.88 -3.21 4.80 -0.04 -1.26 -4.34 135.00 127.66 1n2i n PRO 131 Ca -0.05 -1.34 -0.24 0.00 -0.04 0.00 0.00 63.50 61.82 1n2i n PRO 131 Cb 0.34 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1n2i n PRO 131 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n2i n ARG 132 N 0.57 0.86 -0.03 0.54 1.74 -0.74 -5.00 116.66 114.60 1n2i n ARG 132 Ca 0.16 -3.35 0.24 0.00 -0.77 0.00 0.00 57.85 54.13 1n2i n ARG 132 Cb 0.37 -1.31 0.72 0.00 -1.02 0.00 0.00 32.46 31.22 1n2i n ARG 132 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1n2i h PRO 133 N 4.04 0.00 -0.03 5.56 0.11 -1.65 -2.24 132.00 137.79 1n2i h PRO 133 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1n2i h PRO 133 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1n2i h PRO 133 CO 0.49 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.53 1n2i n THR 134 N -3.98 0.02 0.04 -1.15 -2.24 -1.26 -4.69 114.28 101.01 1n2i n THR 134 Ca 0.12 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1n2i n THR 134 Cb 0.78 1.31 -0.05 0.00 -2.10 0.00 0.00 70.33 70.28 1n2i n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1n2i h HIS 135 N 3.13 -0.31 0.00 4.78 6.17 -1.68 -2.28 115.15 124.96 1n2i h HIS 135 Ca 0.00 0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.05 1n2i h HIS 135 Cb 0.67 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.73 1n2i h HIS 135 CO 0.01 -0.18 -0.21 0.74 0.71 0.00 0.00 177.93 179.00 1n2i h PHE 136 N -0.19 0.00 -0.63 5.26 -1.00 -1.84 -1.77 116.94 116.78 1n2i h PHE 136 Ca 0.05 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 1n2i h PHE 136 Cb 0.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1n2i h PHE 136 CO -0.19 0.21 0.05 0.00 -1.61 0.00 0.00 178.31 176.76 1n2i h ALA 137 N 1.79 0.84 -0.45 2.45 0.00 -1.77 0.94 119.26 123.06 1n2i h ALA 137 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1n2i h ALA 137 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1n2i h ALA 137 CO 0.03 0.65 0.26 0.78 0.00 0.00 0.00 179.25 180.97 1n2i h GLY 138 N 0.98 0.65 0.78 0.00 0.00 -0.81 -1.11 103.07 103.57 1n2i h GLY 138 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1n2i h GLY 138 CO 0.02 0.27 -0.04 -2.08 0.00 0.00 0.00 176.54 174.71 1n2i h VAL 139 N 0.59 1.06 -0.30 4.60 2.07 -1.12 -2.30 116.25 120.86 1n2i h VAL 139 Ca 0.16 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1n2i h VAL 139 Cb 0.01 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1n2i h VAL 139 CO -0.03 0.12 -0.17 -0.07 0.02 0.00 0.00 177.57 177.45 1n2i h LEU 140 N -0.33 0.52 -0.27 2.57 3.38 -0.80 -0.91 115.31 119.46 1n2i h LEU 140 Ca -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1n2i h LEU 140 Cb 0.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1n2i h LEU 140 CO 0.02 0.71 0.00 0.74 0.09 0.00 0.00 178.44 180.00 1n2i h THR 141 N 0.48 1.26 -0.27 0.22 2.02 -1.19 -0.84 112.91 114.59 1n2i h THR 141 Ca 0.08 -0.92 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 1n2i h THR 141 Cb 0.57 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1n2i h THR 141 CO 0.04 0.29 -0.38 1.62 0.37 0.00 0.00 175.52 177.45 1n2i h VAL 142 N 0.27 1.29 -0.55 3.16 3.04 -1.22 -1.97 116.25 120.27 1n2i h VAL 142 Ca 0.08 -1.54 -0.11 0.00 -1.01 0.00 0.00 66.70 64.11 1n2i h VAL 142 Cb 0.42 1.51 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 1n2i h VAL 142 CO 0.01 0.49 -0.10 0.58 -1.01 0.00 0.00 177.57 177.54 1n2i h VAL 143 N 0.51 1.27 -0.45 1.51 2.07 -1.07 -0.22 116.25 119.86 1n2i h VAL 143 Ca 0.05 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1n2i h VAL 143 Cb 0.89 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1n2i h VAL 143 CO 0.08 0.45 0.28 0.25 0.02 0.00 0.00 177.57 178.65 1n2i h LEU 144 N 0.92 0.53 -0.53 2.57 5.85 -1.00 -0.10 115.31 123.56 1n2i h LEU 144 Ca 0.14 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1n2i h LEU 144 Cb 0.67 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1n2i h LEU 144 CO 0.05 0.42 0.30 0.11 -0.34 0.00 0.00 178.44 178.98 1n2i h LYS 145 N 0.60 0.73 -0.72 1.25 1.57 -0.99 -1.53 116.57 117.48 1n2i h LYS 145 Ca 0.16 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1n2i h LYS 145 Cb -0.03 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1n2i h LYS 145 CO -0.03 0.55 0.34 -0.07 -0.57 0.00 0.00 179.45 179.67 1n2i h LEU 146 N 0.71 0.94 -0.91 2.94 3.38 -0.77 0.10 115.31 121.69 1n2i h LEU 146 Ca 0.19 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1n2i h LEU 146 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1n2i h LEU 146 CO -0.03 0.80 -0.34 -0.07 0.09 0.00 0.00 178.44 178.88 1n2i h LEU 147 N 1.03 0.39 -0.20 1.67 3.38 -0.53 -0.69 115.31 120.35 1n2i h LEU 147 Ca 0.25 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 1n2i h LEU 147 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1n2i h LEU 147 CO -0.03 0.71 -0.93 1.56 0.09 0.00 0.00 178.44 179.83 1n2i h GLN 148 N 0.32 0.21 -0.02 1.13 1.08 -0.67 0.18 115.11 117.34 1n2i h GLN 148 Ca 0.04 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 1n2i h GLN 148 Cb 0.76 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1n2i h GLN 148 CO 0.06 1.00 -0.08 0.82 -0.95 0.00 0.00 178.83 179.69 1n2i h ILE 149 N 0.11 1.49 0.00 2.54 2.04 -0.64 -3.36 117.51 119.69 1n2i h ILE 149 Ca -0.06 -1.56 -0.18 0.00 1.00 0.00 0.00 64.86 64.06 1n2i h ILE 149 Cb 1.58 2.48 -0.03 0.00 -0.74 0.00 0.00 36.82 40.11 1n2i h ILE 149 CO 0.14 0.42 -1.37 0.58 0.00 0.00 0.00 178.15 177.92 1n2i h VAL 150 N -0.51 0.60 -6.37 1.67 2.07 -1.21 -3.36 116.25 109.13 1n2i h VAL 150 Ca -0.00 -2.14 -0.47 0.00 0.82 0.00 0.00 66.70 64.91 1n2i h VAL 150 Cb 0.72 2.13 0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1n2i h VAL 150 CO 0.02 0.34 -0.91 0.54 0.02 0.00 0.00 177.57 177.57 1n2i n ARG 151 N -2.95 -2.28 -2.14 1.57 5.12 0.62 -4.78 116.66 111.83 1n2i n ARG 151 Ca -0.09 0.42 -0.33 0.00 -1.93 0.00 0.00 57.85 55.92 1n2i n ARG 151 Cb 0.86 -4.28 -0.00 0.00 -1.16 0.00 0.00 32.46 27.89 1n2i n ARG 151 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1n2i s PRO 152 N -6.30 3.49 0.19 5.56 0.04 -1.26 -4.88 135.00 131.84 1n2i s PRO 152 Ca 0.24 1.14 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 1n2i s PRO 152 Cb -0.09 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.49 1n2i s PRO 152 CO 0.88 -0.67 1.47 -0.44 0.04 0.00 0.00 177.00 178.27 1n2i h ASP 153 N 0.56 0.44 -4.90 6.66 3.32 -0.89 -3.43 116.42 118.17 1n2i h ASP 153 Ca -0.47 -0.28 -0.17 0.00 0.02 0.00 0.00 57.03 56.14 1n2i h ASP 153 Cb 1.21 -0.13 -0.21 0.00 0.22 0.00 0.00 39.33 40.42 1n2i h ASP 153 CO 0.58 1.00 -0.67 -0.13 -1.72 0.00 0.00 179.24 178.30 1n2i s ARG 154 N -3.66 0.32 -0.04 3.56 0.52 -1.22 -1.66 118.95 116.77 1n2i s ARG 154 Ca -0.05 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 54.65 1n2i s ARG 154 Cb 0.11 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.70 1n2i s ARG 154 CO 0.83 -0.06 -0.13 0.54 0.02 0.00 0.00 175.30 176.50 1n2i s VAL 155 N -1.36 1.14 -0.15 3.52 0.11 -0.39 -1.39 120.40 121.89 1n2i s VAL 155 Ca -0.15 -0.54 -0.04 0.00 -2.93 0.00 0.00 61.98 58.32 1n2i s VAL 155 Cb -0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1n2i s VAL 155 CO -0.01 0.34 -0.01 -0.36 -3.33 0.00 0.00 175.10 171.74 1n2i s PHE 156 N 0.20 3.11 0.03 1.54 0.40 -0.46 -0.81 117.98 121.99 1n2i s PHE 156 Ca -0.05 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1n2i s PHE 156 Cb -0.11 -1.95 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1n2i s PHE 156 CO 0.02 0.13 -0.08 -0.06 0.70 0.00 0.00 175.22 175.92 1n2i s PHE 157 N 0.08 0.69 0.33 0.36 0.40 -0.64 -4.25 117.98 114.94 1n2i s PHE 157 Ca 0.02 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.83 1n2i s PHE 157 Cb -0.13 -0.42 -0.09 0.00 0.51 0.00 0.00 43.02 42.89 1n2i s PHE 157 CO 0.02 -0.05 0.74 0.20 0.70 0.00 0.00 175.22 176.84 1n2i s GLY 158 N -1.12 2.33 0.25 4.36 0.00 -1.26 -0.72 107.32 111.16 1n2i s GLY 158 Ca -0.05 0.05 0.24 0.00 0.00 0.00 0.00 44.72 44.96 1n2i s GLY 158 CO 0.00 0.25 1.72 1.18 0.00 0.00 0.00 173.10 176.26 1n2i n GLU 159 N -0.38 0.20 -0.20 2.90 1.02 0.64 -3.22 120.64 121.60 1n2i n GLU 159 Ca 0.04 0.39 0.01 0.00 -0.02 0.00 0.00 57.16 57.58 1n2i n GLU 159 Cb 0.53 -1.86 0.11 0.00 -0.02 0.00 0.00 31.44 30.20 1n2i n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1n2i h LYS 160 N 0.00 0.18 -2.96 3.49 1.63 -1.91 -2.04 116.57 114.95 1n2i h LYS 160 Ca 0.00 -0.01 -0.79 0.00 -0.85 0.00 0.00 60.65 59.00 1n2i h LYS 160 Cb 0.42 -0.04 -0.29 0.00 -0.60 0.00 0.00 32.23 31.72 1n2i h LYS 160 CO 0.00 0.12 0.63 -0.25 -3.45 0.00 0.00 179.45 176.49 1n2i n ASP 161 N -5.21 6.08 -0.22 4.20 8.00 -1.20 -4.70 116.55 123.51 1n2i n ASP 161 Ca 0.09 -3.36 -0.06 0.00 0.71 0.00 0.00 54.79 52.17 1n2i n ASP 161 Cb 0.35 -1.24 0.04 0.00 -0.02 0.00 0.00 41.12 40.24 1n2i n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1n2i h TYR 162 N 5.52 0.83 -0.79 1.24 3.20 -1.57 -1.65 116.97 123.76 1n2i h TYR 162 Ca 0.20 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1n2i h TYR 162 Cb 0.66 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1n2i h TYR 162 CO 0.95 0.59 0.38 0.37 -1.64 0.00 0.00 178.16 178.81 1n2i h GLN 163 N 0.83 1.13 -0.53 1.82 4.15 -1.89 -0.79 115.11 119.84 1n2i h GLN 163 Ca 0.22 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1n2i h GLN 163 Cb 0.03 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1n2i h GLN 163 CO -0.04 0.87 0.34 0.37 -1.93 0.00 0.00 178.83 178.45 1n2i h GLN 164 N 1.12 0.71 -0.38 1.69 4.15 -1.86 -0.57 115.11 119.97 1n2i h GLN 164 Ca 0.27 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.64 1n2i h GLN 164 Cb 0.12 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1n2i h GLN 164 CO -0.03 0.48 0.24 1.25 -1.93 0.00 0.00 178.83 178.84 1n2i h LEU 165 N 0.72 0.45 -0.44 -2.39 5.85 -0.73 0.28 115.31 119.03 1n2i h LEU 165 Ca 0.19 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1n2i h LEU 165 Cb -0.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1n2i h LEU 165 CO -0.04 0.35 0.26 0.58 -0.34 0.00 0.00 178.44 179.25 1n2i h VAL 166 N 0.51 1.15 -0.35 1.05 2.07 -0.92 -1.30 116.25 118.46 1n2i h VAL 166 Ca 0.14 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1n2i h VAL 166 Cb -0.03 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1n2i h VAL 166 CO -0.03 0.15 0.01 -0.07 0.02 0.00 0.00 177.57 177.65 1n2i h LEU 167 N 0.59 0.50 -0.84 2.57 3.38 -0.65 -1.50 115.31 119.36 1n2i h LEU 167 Ca 0.16 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1n2i h LEU 167 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1n2i h LEU 167 CO -0.03 0.57 -0.31 0.40 0.09 0.00 0.00 178.44 179.16 1n2i h ILE 168 N 0.51 1.28 -0.39 1.22 1.08 -0.57 -0.49 117.51 120.15 1n2i h ILE 168 Ca 0.11 -1.38 -0.08 0.00 -0.39 0.00 0.00 64.86 63.12 1n2i h ILE 168 Cb 0.32 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1n2i h ILE 168 CO 0.01 0.44 -0.07 0.03 -0.69 0.00 0.00 178.15 177.86 1n2i h ARG 169 N 0.44 0.66 -0.43 2.37 3.08 -0.55 -1.17 114.38 118.79 1n2i h ARG 169 Ca 0.06 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1n2i h ARG 169 Cb 0.75 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1n2i h ARG 169 CO 0.06 0.73 0.06 1.96 -1.07 0.00 0.00 179.97 181.71 1n2i h GLN 170 N 0.61 0.72 -0.23 0.04 4.20 -0.90 -1.11 115.11 118.43 1n2i h GLN 170 Ca 0.11 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1n2i h GLN 170 Cb 0.49 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1n2i h GLN 170 CO 0.03 0.76 0.02 1.25 -0.67 0.00 0.00 178.83 180.21 1n2i h LEU 171 N 0.57 -0.05 -0.44 1.46 5.85 -0.63 0.12 115.31 122.19 1n2i h LEU 171 Ca 0.13 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1n2i h LEU 171 Cb 0.39 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1n2i h LEU 171 CO 0.01 0.01 0.17 0.58 -0.34 0.00 0.00 178.44 178.87 1n2i h VAL 172 N 0.10 1.20 -0.15 1.05 2.07 -1.11 -1.74 116.25 117.67 1n2i h VAL 172 Ca 0.11 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1n2i h VAL 172 Cb 0.12 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1n2i h VAL 172 CO -0.16 0.23 -0.04 0.00 0.02 0.00 0.00 177.57 177.62 1n2i h ALA 173 N 1.02 0.20 0.00 1.67 0.00 -0.99 -1.11 119.26 120.06 1n2i h ALA 173 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1n2i h ALA 173 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1n2i h ALA 173 CO -0.01 -0.04 -0.30 -0.44 0.00 0.00 0.00 179.25 178.46 1n2i h ASP 174 N -0.02 0.00 -0.57 0.00 3.32 -0.74 -2.72 116.42 115.69 1n2i h ASP 174 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1n2i h ASP 174 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1n2i h ASP 174 CO 0.02 0.30 0.00 0.49 -1.72 0.00 0.00 179.24 178.32 1n2i n PHE 175 N -4.16 0.78 -3.58 4.55 0.99 -0.66 -4.98 117.46 110.41 1n2i n PHE 175 Ca -0.02 -0.51 -0.26 0.00 -0.00 0.00 0.00 57.45 56.66 1n2i n PHE 175 Cb 0.35 -0.02 0.03 0.00 -1.00 0.00 0.00 39.48 38.83 1n2i n PHE 175 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1n2i n ASN 176 N 1.14 -5.15 -4.73 4.37 4.13 -0.89 -4.92 115.26 109.19 1n2i n ASN 176 Ca 0.19 -0.56 -0.41 0.00 1.68 0.00 0.00 54.58 55.47 1n2i n ASN 176 Cb 0.55 -4.13 -0.03 0.00 -1.54 0.00 0.00 39.78 34.63 1n2i n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1n2i s LEU 177 N -7.02 4.43 -1.33 3.41 1.43 -0.47 -4.93 118.68 114.19 1n2i s LEU 177 Ca 0.53 2.27 -0.10 0.00 -1.03 0.00 0.00 54.13 55.80 1n2i s LEU 177 Cb -0.26 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.49 1n2i s LEU 177 CO 0.66 -0.45 2.00 -0.67 0.23 0.00 0.00 176.35 178.11 1n2i n ASP 178 N 2.78 5.04 -3.74 2.29 2.03 -1.26 -4.87 116.55 118.82 1n2i n ASP 178 Ca 0.06 -3.05 -0.13 0.00 0.52 0.00 0.00 54.79 52.18 1n2i n ASP 178 Cb 0.44 -1.51 -0.09 0.00 -0.72 0.00 0.00 41.12 39.24 1n2i n ASP 178 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1n2i s VAL 179 N 0.91 0.03 -0.16 5.18 0.11 -1.26 -4.83 120.40 120.39 1n2i s VAL 179 Ca 0.42 -0.28 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 1n2i s VAL 179 Cb 0.11 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1n2i s VAL 179 CO -0.02 -0.16 0.33 0.00 -3.33 0.00 0.00 175.10 171.92 1n2i s ALA 180 N -0.79 3.57 -0.25 1.54 0.00 -0.67 -4.98 121.76 120.18 1n2i s ALA 180 Ca -0.09 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1n2i s ALA 180 Cb -0.04 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 1n2i s ALA 180 CO 0.03 0.05 0.41 0.08 0.00 0.00 0.00 175.76 176.34 1n2i s VAL 181 N 0.56 5.15 -0.26 0.00 1.01 -1.26 -1.26 120.40 124.34 1n2i s VAL 181 Ca 0.18 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1n2i s VAL 181 Cb -0.13 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 1n2i s VAL 181 CO 0.05 0.16 0.03 -0.69 0.00 0.00 0.00 175.10 174.65 1n2i s VAL 182 N 1.95 3.75 0.02 2.92 1.01 0.01 -4.97 120.40 125.09 1n2i s VAL 182 Ca 0.17 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 1n2i s VAL 182 Cb -0.15 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 1n2i s VAL 182 CO 0.09 0.25 0.62 -0.83 0.00 0.00 0.00 175.10 175.23 1n2i s GLY 183 N 1.50 2.66 -0.12 4.51 0.00 -1.26 -1.62 107.32 112.99 1n2i s GLY 183 Ca 0.04 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1n2i s GLY 183 CO 0.00 0.77 -0.15 0.14 0.00 0.00 0.00 173.10 173.86 1n2i s VAL 184 N -0.35 2.91 0.45 1.40 1.01 0.10 -4.93 120.40 121.00 1n2i s VAL 184 Ca 0.32 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 1n2i s VAL 184 Cb -0.19 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 1n2i s VAL 184 CO 0.19 0.54 1.17 -2.65 0.00 0.00 0.00 175.10 174.34 1n2i n PRO 185 N 3.40 1.61 -1.75 2.72 -0.02 -1.26 -0.26 135.00 139.45 1n2i n PRO 185 Ca -0.18 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 1n2i n PRO 185 Cb 0.53 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1n2i n PRO 185 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1n2i s THR 186 N -1.26 2.20 -0.06 3.45 2.01 -1.26 -4.72 115.64 116.00 1n2i s THR 186 Ca 0.64 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 62.50 1n2i s THR 186 Cb -0.50 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1n2i s THR 186 CO 0.56 0.00 0.62 -0.69 -0.69 0.00 0.00 174.62 174.42 1n2i s VAL 187 N 1.54 5.03 0.19 3.82 1.01 -1.26 -5.01 120.40 125.72 1n2i s VAL 187 Ca 0.76 1.29 0.11 0.00 0.00 0.00 0.00 61.98 64.14 1n2i s VAL 187 Cb -0.48 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1n2i s VAL 187 CO 0.33 0.32 -0.23 -0.13 0.00 0.00 0.00 175.10 175.39 1n2i s ARG 188 N 0.45 1.49 0.94 2.72 0.52 -1.26 -1.18 118.95 122.62 1n2i s ARG 188 Ca 0.33 -1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 53.91 1n2i s ARG 188 Cb -0.17 -1.78 0.16 0.00 0.52 0.00 0.00 34.95 33.68 1n2i s ARG 188 CO 0.16 0.38 1.11 -1.21 0.02 0.00 0.00 175.30 175.76 1n2i s GLU 189 N -2.69 0.89 0.53 3.54 0.41 0.46 -4.86 118.70 116.98 1n2i s GLU 189 Ca 0.20 0.47 0.25 0.00 -0.41 0.00 0.00 54.97 55.48 1n2i s GLU 189 Cb -0.08 -1.79 1.41 0.00 -1.78 0.00 0.00 34.13 31.89 1n2i s GLU 189 CO 0.09 -2.41 2.00 0.00 -0.49 0.00 0.00 175.26 174.45 1n2i h ALA 190 N -1.66 2.46 -0.10 5.21 0.00 -2.01 -0.36 119.26 122.81 1n2i h ALA 190 Ca -0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1n2i h ALA 190 Cb 1.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1n2i h ALA 190 CO 0.59 -0.63 0.00 -0.40 0.00 0.00 0.00 179.25 178.81 1n2i n ASP 191 N -4.34 1.71 0.00 0.00 5.75 -1.26 -4.92 116.55 113.48 1n2i n ASP 191 Ca 0.09 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1n2i n ASP 191 Cb 0.59 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1n2i n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n2i n GLY 192 N 1.17 1.37 3.69 6.12 0.00 -0.14 -4.87 105.19 112.53 1n2i n GLY 192 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1n2i n GLY 192 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n2i n LEU 193 N 0.00 3.90 -4.72 0.99 7.94 -1.26 -4.57 117.00 119.27 1n2i n LEU 193 Ca 0.00 0.99 -0.42 0.00 -1.11 0.00 0.00 56.01 55.47 1n2i n LEU 193 Cb 0.00 -1.51 -0.03 0.00 0.53 0.00 0.00 43.42 42.41 1n2i n LEU 193 CO 0.00 0.11 1.18 0.00 -1.11 0.00 0.00 177.39 177.57 1n2i s ALA 194 N 2.76 3.72 0.30 1.96 0.00 -1.26 -0.40 121.76 128.84 1n2i s ALA 194 Ca 0.83 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.84 1n2i s ALA 194 Cb -0.52 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 18.90 1n2i s ALA 194 CO 0.39 -0.76 1.30 -1.64 0.00 0.00 0.00 175.76 175.06 1n2i s MET 195 N 0.74 4.37 -0.06 0.00 -1.94 -0.33 -4.87 119.30 117.22 1n2i s MET 195 Ca 0.67 2.17 -0.24 0.00 -1.71 0.00 0.00 55.69 56.58 1n2i s MET 195 Cb -0.43 -3.10 0.05 0.00 2.01 0.00 0.00 34.83 33.37 1n2i s MET 195 CO 0.34 -0.19 0.54 0.45 -0.01 0.00 0.00 175.02 176.16 1n2i s SER 196 N -0.32 -0.49 0.00 3.03 0.15 -1.26 -4.91 113.70 109.90 1n2i s SER 196 Ca 0.51 0.55 0.13 0.00 0.70 0.00 0.00 55.95 57.84 1n2i s SER 196 Cb -0.39 0.53 0.59 0.00 -1.71 0.00 0.00 66.02 65.04 1n2i s SER 196 CO 0.49 -0.51 1.41 -1.20 1.20 0.00 0.00 173.24 174.63 1n2i n SER 197 N 1.24 0.00 0.01 5.45 7.64 -1.26 -1.97 113.62 124.74 1n2i n SER 197 Ca -0.19 0.42 0.11 0.00 1.01 0.00 0.00 58.87 60.22 1n2i n SER 197 Cb 0.57 -0.46 0.10 0.00 -1.01 0.00 0.00 64.21 63.41 1n2i n SER 197 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1n2i n ARG 198 N -1.46 0.09 0.29 1.43 1.74 -1.26 -4.14 116.66 113.35 1n2i n ARG 198 Ca 0.04 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.31 1n2i n ARG 198 Cb 0.14 -1.53 0.92 0.00 -1.02 0.00 0.00 32.46 30.97 1n2i n ARG 198 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1n2i h ASN 199 N 0.00 0.00 0.49 0.55 2.35 -1.77 -1.36 115.58 115.83 1n2i h ASN 199 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n2i h ASN 199 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1n2i h ASN 199 CO 0.00 0.00 0.00 -2.11 -1.65 0.00 0.00 177.43 173.67 1n2i n ARG 200 N -2.95 0.16 -0.02 0.81 1.85 -1.26 -2.01 116.66 113.24 1n2i n ARG 200 Ca -0.01 0.47 0.13 0.00 -1.00 0.00 0.00 57.85 57.44 1n2i n ARG 200 Cb 0.16 -1.86 0.40 0.00 -1.05 0.00 0.00 32.46 30.12 1n2i n ARG 200 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n2i n TYR 201 N -2.17 0.07 -3.10 2.89 0.53 -0.51 -4.84 117.16 110.01 1n2i n TYR 201 Ca 0.01 -0.03 -0.40 0.00 -1.02 0.00 0.00 57.90 56.46 1n2i n TYR 201 Cb 0.16 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.42 1n2i n TYR 201 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1n2i s LEU 202 N -1.89 4.12 0.94 7.72 1.43 -0.85 -4.88 118.68 125.26 1n2i s LEU 202 Ca 0.35 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.14 1n2i s LEU 202 Cb 0.20 -2.90 0.15 0.00 0.03 0.00 0.00 46.19 43.68 1n2i s LEU 202 CO 0.31 -0.31 1.13 1.51 0.23 0.00 0.00 176.35 179.23 1n2i s ASP 203 N 1.28 3.25 0.30 2.29 1.47 -1.26 -4.58 116.67 119.42 1n2i s ASP 203 Ca 0.28 0.96 0.06 0.00 1.18 0.00 0.00 52.55 55.04 1n2i s ASP 203 Cb -0.16 -1.53 0.80 0.00 -0.34 0.00 0.00 42.92 41.70 1n2i s ASP 203 CO 0.10 -2.71 1.70 -0.65 0.68 0.00 0.00 175.17 174.28 1n2i h PRO 204 N -1.61 0.43 -0.24 2.11 0.11 -1.99 0.22 132.00 131.03 1n2i h PRO 204 Ca -0.51 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1n2i h PRO 204 Cb 1.33 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1n2i h PRO 204 CO 0.60 0.28 0.02 0.00 -0.21 0.00 0.00 178.00 178.69 1n2i h ALA 205 N 1.73 0.32 -0.51 -0.75 0.00 -2.00 -2.02 119.26 116.03 1n2i h ALA 205 Ca 0.60 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 1n2i h ALA 205 Cb 1.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1n2i h ALA 205 CO -0.52 0.02 -0.03 1.96 0.00 0.00 0.00 179.25 180.68 1n2i h GLN 206 N 0.20 0.89 -0.83 0.00 4.20 -1.58 -1.53 115.11 116.46 1n2i h GLN 206 Ca 0.07 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1n2i h GLN 206 Cb 0.36 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1n2i h GLN 206 CO 0.01 0.90 0.47 -0.09 -0.67 0.00 0.00 178.83 179.45 1n2i h ARG 207 N 0.82 1.14 -0.24 1.46 9.65 -0.50 0.61 114.38 127.32 1n2i h ARG 207 Ca 0.15 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1n2i h ARG 207 Cb 0.53 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1n2i h ARG 207 CO 0.03 0.83 0.06 0.00 2.80 0.00 0.00 179.97 183.69 1n2i h ALA 208 N 1.25 0.31 0.00 2.80 0.00 -0.98 -3.06 119.26 119.58 1n2i h ALA 208 Ca 0.29 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1n2i h ALA 208 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1n2i h ALA 208 CO -0.05 -0.04 -0.30 0.00 0.00 0.00 0.00 179.25 178.87 1n2i h ALA 209 N 0.88 1.25 0.00 0.00 0.00 -0.82 -3.16 119.26 117.40 1n2i h ALA 209 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1n2i h ALA 209 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n2i h ALA 209 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1n2i h ALA 210 N 1.70 1.00 0.00 0.00 0.00 -0.78 -2.01 119.26 119.17 1n2i h ALA 210 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n2i h ALA 210 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1n2i h ALA 210 CO 0.04 0.00 0.00 -0.24 0.00 0.00 0.00 179.25 179.05 1n2i h VAL 211 N 0.00 0.00 -0.21 0.00 3.04 -1.66 -2.87 116.25 114.55 1n2i h VAL 211 Ca 0.00 -0.18 0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1n2i h VAL 211 Cb 0.13 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 1n2i h VAL 211 CO 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 177.57 176.70 1n2i h ALA 212 N 2.01 1.93 0.15 3.17 0.00 -1.62 -1.32 119.26 123.58 1n2i h ALA 212 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1n2i h ALA 212 Cb 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1n2i h ALA 212 CO 0.00 0.04 -0.07 -0.07 0.00 0.00 0.00 179.25 179.15 1n2i h LEU 213 N 0.21 -0.17 -0.58 0.00 4.07 -1.76 0.14 115.31 117.22 1n2i h LEU 213 Ca 0.08 -0.18 -0.14 0.00 0.08 0.00 0.00 57.88 57.73 1n2i h LEU 213 Cb 0.07 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1n2i h LEU 213 CO -0.02 0.09 -0.33 0.77 -1.08 0.00 0.00 178.44 177.87 1n2i h SER 214 N -0.43 0.81 -0.63 -0.43 4.64 -1.73 -1.77 113.55 114.00 1n2i h SER 214 Ca -0.02 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1n2i h SER 214 Cb 0.34 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1n2i h SER 214 CO 0.03 1.07 0.30 0.00 -0.87 0.00 0.00 176.83 177.36 1n2i h ALA 215 N 0.98 0.82 -0.46 5.18 0.00 -1.20 0.10 119.26 124.68 1n2i h ALA 215 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1n2i h ALA 215 Cb 0.87 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1n2i h ALA 215 CO 0.08 0.39 0.22 0.00 0.00 0.00 0.00 179.25 179.94 1n2i h ALA 216 N 1.13 0.59 -0.37 0.00 0.00 -0.56 0.21 119.26 120.26 1n2i h ALA 216 Ca 0.22 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1n2i h ALA 216 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1n2i h ALA 216 CO -0.03 0.16 -0.21 -0.07 0.00 0.00 0.00 179.25 179.10 1n2i h LEU 217 N 0.60 0.84 -0.63 0.00 3.38 -1.03 -0.76 115.31 117.71 1n2i h LEU 217 Ca 0.16 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 1n2i h LEU 217 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1n2i h LEU 217 CO -0.02 1.07 -0.52 0.74 0.09 0.00 0.00 178.44 179.80 1n2i h THR 218 N 0.60 1.33 -0.31 0.22 2.02 -0.93 -0.35 112.91 115.49 1n2i h THR 218 Ca 0.08 -1.77 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 1n2i h THR 218 Cb 0.77 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1n2i h THR 218 CO 0.06 0.54 0.18 0.00 0.37 0.00 0.00 175.52 176.68 1n2i h ALA 219 N 1.10 0.39 -0.83 6.16 0.00 -0.81 -2.73 119.26 122.54 1n2i h ALA 219 Ca 0.01 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1n2i h ALA 219 Cb 1.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1n2i h ALA 219 CO 0.09 -0.10 0.54 0.00 0.00 0.00 0.00 179.25 179.78 1n2i h ALA 220 N 1.06 1.08 -0.34 0.00 0.00 -0.79 0.67 119.26 120.94 1n2i h ALA 220 Ca 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1n2i h ALA 220 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1n2i h ALA 220 CO -0.02 0.40 0.23 0.00 0.00 0.00 0.00 179.25 179.85 1n2i h ALA 221 N 1.33 1.82 0.02 0.00 0.00 -0.80 -1.12 119.26 120.52 1n2i h ALA 221 Ca 0.32 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 1n2i h ALA 221 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1n2i h ALA 221 CO -0.10 0.15 -1.59 0.45 0.00 0.00 0.00 179.25 178.16 1n2i h HIS 222 N 0.40 0.09 0.00 0.00 3.86 -1.13 -3.30 115.15 115.07 1n2i h HIS 222 Ca 0.13 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1n2i h HIS 222 Cb 0.04 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1n2i h HIS 222 CO -0.00 1.11 -0.01 0.00 0.86 0.00 0.00 177.93 179.88 1n2i h ALA 223 N 0.87 1.00 0.00 2.45 0.00 -0.37 -3.26 119.26 119.95 1n2i h ALA 223 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1n2i h ALA 223 Cb 1.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1n2i h ALA 223 CO 0.10 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1n2i n ALA 224 N -2.10 1.07 0.29 0.00 0.00 -0.47 -1.11 120.51 118.18 1n2i n ALA 224 Ca 0.00 0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.73 1n2i n ALA 224 Cb 0.30 -1.22 0.85 0.00 0.00 0.00 0.00 19.45 19.38 1n2i n ALA 224 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1n2i h THR 225 N 0.00 0.46 -0.52 0.00 1.35 -1.79 0.12 112.91 112.54 1n2i h THR 225 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1n2i h THR 225 Cb 0.02 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1n2i h THR 225 CO 0.00 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.33 1n2i n ALA 226 N -2.26 2.42 0.00 6.62 0.00 -0.27 -4.08 120.51 122.94 1n2i n ALA 226 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1n2i n ALA 226 Cb 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1n2i n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n2i n GLY 227 N 1.39 1.78 0.28 0.00 0.00 -0.17 -4.50 105.19 103.97 1n2i n GLY 227 Ca 0.19 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 1n2i n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n2i h ALA 228 N 0.00 0.81 -0.71 4.61 0.00 -1.93 -2.07 119.26 119.96 1n2i h ALA 228 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1n2i h ALA 228 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1n2i h ALA 228 CO 0.00 0.46 0.19 0.37 0.00 0.00 0.00 179.25 180.26 1n2i h GLN 229 N 0.88 1.13 -0.54 0.00 5.75 -1.98 -0.46 115.11 119.88 1n2i h GLN 229 Ca 0.20 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1n2i h GLN 229 Cb 0.26 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 1n2i h GLN 229 CO -0.01 0.99 0.23 0.00 -2.65 0.00 0.00 178.83 177.39 1n2i h ALA 230 N 1.09 0.71 0.20 3.38 0.00 -1.73 -0.55 119.26 122.35 1n2i h ALA 230 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n2i h ALA 230 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n2i h ALA 230 CO -0.00 0.31 -0.10 0.00 0.00 0.00 0.00 179.25 179.46 1n2i h ALA 231 N 1.07 -0.27 -0.80 0.00 0.00 -0.95 -1.32 119.26 117.00 1n2i h ALA 231 Ca 0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n2i h ALA 231 Cb 0.18 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1n2i h ALA 231 CO -0.02 -0.60 0.39 -0.07 0.00 0.00 0.00 179.25 178.95 1n2i h LEU 232 N -0.36 1.03 -0.75 0.00 3.38 -1.02 -2.14 115.31 115.46 1n2i h LEU 232 Ca -0.03 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1n2i h LEU 232 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1n2i h LEU 232 CO 0.04 0.87 -0.38 0.44 0.09 0.00 0.00 178.44 179.51 1n2i h ASP 233 N 1.12 0.53 -0.36 -0.43 3.32 -1.03 -0.45 116.42 119.12 1n2i h ASP 233 Ca 0.27 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1n2i h ASP 233 Cb 0.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1n2i h ASP 233 CO -0.04 0.86 0.13 0.00 -1.72 0.00 0.00 179.24 178.48 1n2i h ALA 234 N 1.17 0.47 -0.64 3.45 0.00 -1.02 -0.93 119.26 121.76 1n2i h ALA 234 Ca 0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1n2i h ALA 234 Cb 0.85 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1n2i h ALA 234 CO 0.07 0.10 0.17 0.00 0.00 0.00 0.00 179.25 179.59 1n2i h ALA 235 N 0.97 0.84 -0.71 0.00 0.00 -1.23 -2.61 119.26 116.51 1n2i h ALA 235 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1n2i h ALA 235 Cb 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1n2i h ALA 235 CO -0.01 0.54 0.34 -0.09 0.00 0.00 0.00 179.25 180.03 1n2i h ARG 236 N 0.93 1.01 -0.53 0.00 9.65 -0.81 -0.81 114.38 123.82 1n2i h ARG 236 Ca 0.20 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 1n2i h ARG 236 Cb 0.34 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 1n2i h ARG 236 CO -0.00 0.78 0.24 0.00 2.80 0.00 0.00 179.97 183.79 1n2i h ALA 237 N 1.37 0.69 -0.29 2.80 0.00 -0.92 0.21 119.26 123.11 1n2i h ALA 237 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1n2i h ALA 237 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1n2i h ALA 237 CO -0.03 0.26 0.05 0.28 0.00 0.00 0.00 179.25 179.81 1n2i h VAL 238 N 0.71 1.23 -0.76 0.00 2.07 -1.09 -1.84 116.25 116.58 1n2i h VAL 238 Ca 0.18 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1n2i h VAL 238 Cb 0.14 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1n2i h VAL 238 CO -0.02 0.25 0.26 -0.07 0.02 0.00 0.00 177.57 178.01 1n2i h LEU 239 N 0.29 1.07 -1.61 2.57 3.38 -0.92 -2.33 115.31 117.77 1n2i h LEU 239 Ca 0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1n2i h LEU 239 Cb 0.32 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1n2i h LEU 239 CO 0.00 0.98 -0.15 0.44 0.09 0.00 0.00 178.44 179.80 1n2i h ASP 240 N 1.11 0.00 0.66 -0.43 3.32 -0.43 -2.28 116.42 118.38 1n2i h ASP 240 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1n2i h ASP 240 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1n2i h ASP 240 CO -0.01 0.15 -0.11 0.00 -1.72 0.00 0.00 179.24 177.55 1n2i n ALA 241 N -2.24 2.67 -2.70 3.45 0.00 -0.70 -4.83 120.51 116.15 1n2i n ALA 241 Ca -0.01 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1n2i n ALA 241 Cb 0.31 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 1n2i n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n2i s ALA 242 N -2.77 3.37 -0.04 0.00 0.00 -0.86 -5.03 121.76 116.43 1n2i s ALA 242 Ca 0.20 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 1n2i s ALA 242 Cb 0.19 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1n2i s ALA 242 CO 0.53 -0.24 1.23 -1.25 0.00 0.00 0.00 175.76 176.03 1n2i s PRO 243 N 1.12 4.35 -0.63 0.00 0.04 -1.26 -3.65 135.00 134.98 1n2i s PRO 243 Ca 0.38 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1n2i s PRO 243 Cb -0.18 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1n2i s PRO 243 CO 0.17 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1n2i n GLY 244 N 3.39 0.31 3.21 0.56 0.00 -1.26 -4.82 105.19 106.58 1n2i n GLY 244 Ca 0.11 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1n2i n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n2i s VAL 245 N -2.32 2.79 -0.36 1.61 1.01 -1.24 -4.37 120.40 117.52 1n2i s VAL 245 Ca 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1n2i s VAL 245 Cb 0.00 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.13 1n2i s VAL 245 CO 0.00 0.38 0.15 0.00 0.00 0.00 0.00 175.10 175.63 1n2i s ALA 246 N 1.37 3.12 0.11 5.51 0.00 -0.43 -4.96 121.76 126.48 1n2i s ALA 246 Ca 0.04 -1.83 -0.31 0.00 0.00 0.00 0.00 51.96 49.86 1n2i s ALA 246 Cb -0.15 -2.38 -0.08 0.00 0.00 0.00 0.00 23.12 20.52 1n2i s ALA 246 CO -0.07 -1.41 1.36 0.08 0.00 0.00 0.00 175.76 175.72 1n2i s VAL 247 N 1.42 3.42 -0.18 0.00 1.01 -1.26 -1.07 120.40 123.74 1n2i s VAL 247 Ca -0.00 1.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.82 1n2i s VAL 247 Cb -0.20 -3.65 -0.15 0.00 0.00 0.00 0.00 36.38 32.38 1n2i s VAL 247 CO 0.03 0.08 0.16 -0.78 0.00 0.00 0.00 175.10 174.59 1n2i h ASP 248 N 6.75 0.00 -5.03 3.32 1.82 -1.08 -3.48 116.42 118.72 1n2i h ASP 248 Ca -0.42 -0.40 -0.06 0.00 -0.39 0.00 0.00 57.03 55.76 1n2i h ASP 248 Cb 1.21 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.07 1n2i h ASP 248 CO 0.85 1.21 -0.00 -0.72 -1.61 0.00 0.00 179.24 178.97 1n2i s TYR 249 N -2.28 -0.36 -0.20 0.28 -0.85 -1.03 -4.99 117.35 107.93 1n2i s TYR 249 Ca -0.23 0.31 -0.04 0.00 -0.52 0.00 0.00 57.07 56.59 1n2i s TYR 249 Cb 0.04 0.31 0.09 0.00 0.38 0.00 0.00 41.96 42.78 1n2i s TYR 249 CO 0.48 -0.65 0.23 -1.17 -1.52 0.00 0.00 175.55 172.92 1n2i s LEU 250 N -2.16 -0.13 0.02 -3.49 2.96 -1.26 -1.63 118.68 112.98 1n2i s LEU 250 Ca -0.04 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1n2i s LEU 250 Cb -0.00 0.42 -0.01 0.00 0.50 0.00 0.00 46.19 47.09 1n2i s LEU 250 CO -0.04 -0.32 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.01 1n2i s GLU 251 N 2.34 0.40 -0.24 1.98 2.02 -0.12 -4.97 118.70 120.11 1n2i s GLU 251 Ca 0.07 -0.43 -0.05 0.00 0.02 0.00 0.00 54.97 54.58 1n2i s GLU 251 Cb -0.15 -0.26 -0.01 0.00 0.10 0.00 0.00 34.13 33.81 1n2i s GLU 251 CO -0.12 0.06 -0.00 -1.17 0.02 0.00 0.00 175.26 174.05 1n2i s LEU 252 N -0.81 3.17 0.28 1.80 2.96 -1.26 -0.61 118.68 124.20 1n2i s LEU 252 Ca -0.05 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1n2i s LEU 252 Cb -0.06 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1n2i s LEU 252 CO -0.00 -0.05 0.01 -0.13 -1.32 0.00 0.00 176.35 174.85 1n2i s ARG 253 N 1.50 1.51 0.85 1.98 0.52 -0.07 -4.92 118.95 120.33 1n2i s ARG 253 Ca 0.05 -1.79 -0.12 0.00 -0.52 0.00 0.00 55.73 53.35 1n2i s ARG 253 Cb -0.15 -0.84 0.11 0.00 0.52 0.00 0.00 34.95 34.59 1n2i s ARG 253 CO -0.01 -0.10 1.17 0.34 0.02 0.00 0.00 175.30 176.72 1n2i s ASP 254 N -3.41 3.33 0.54 0.23 -1.08 -1.26 -0.71 116.67 114.32 1n2i s ASP 254 Ca 0.32 2.26 0.25 0.00 -0.52 0.00 0.00 52.55 54.86 1n2i s ASP 254 Cb 0.06 -2.58 1.53 0.00 -1.46 0.00 0.00 42.92 40.48 1n2i s ASP 254 CO 0.12 -2.84 2.16 0.16 0.52 0.00 0.00 175.17 175.29 1n2i h ILE 255 N -1.35 0.69 -0.01 4.11 3.07 -1.84 -0.73 117.51 121.46 1n2i h ILE 255 Ca -0.45 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 65.73 1n2i h ILE 255 Cb 1.28 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1n2i h ILE 255 CO 0.44 0.06 -0.07 0.61 -1.05 0.00 0.00 178.15 178.14 1n2i n GLY 256 N -1.14 -0.75 3.22 0.16 0.00 -1.26 -4.89 105.19 100.53 1n2i n GLY 256 Ca -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1n2i n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n2i n LEU 257 N -0.72 0.92 0.00 0.99 4.77 -0.28 -4.92 117.00 117.77 1n2i n LEU 257 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1n2i n LEU 257 Cb 0.26 -2.04 0.00 0.00 -2.33 0.00 0.00 43.42 39.31 1n2i n LEU 257 CO 0.21 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1n2i n GLY 258 N 0.06 -0.64 2.17 -0.72 0.00 -1.26 -4.91 105.19 99.89 1n2i n GLY 258 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 1n2i n GLY 258 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n2i n PRO 259 N -0.66 1.93 -4.05 1.61 -0.04 -1.26 -4.78 135.00 127.75 1n2i n PRO 259 Ca 0.00 -1.05 -0.15 0.00 -0.04 0.00 0.00 63.50 62.26 1n2i n PRO 259 Cb 0.00 -2.07 -0.15 0.00 -0.04 0.00 0.00 33.50 31.24 1n2i n PRO 259 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1n2i s MET 260 N 1.67 0.30 0.68 0.54 1.75 -1.26 -5.15 119.30 117.83 1n2i s MET 260 Ca 0.55 -0.09 -0.11 0.00 -1.25 0.00 0.00 55.69 54.78 1n2i s MET 260 Cb 0.23 -0.32 -0.00 0.00 2.84 0.00 0.00 34.83 37.58 1n2i s MET 260 CO -0.01 0.04 1.06 -1.25 -0.65 0.00 0.00 175.02 174.21 1n2i s PRO 261 N 0.11 3.04 0.10 4.11 0.04 -1.26 -4.43 135.00 136.70 1n2i s PRO 261 Ca -0.01 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 1n2i s PRO 261 Cb -0.04 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1n2i s PRO 261 CO -0.00 -1.02 1.66 -1.17 0.04 0.00 0.00 177.00 176.51 1n2i s LEU 262 N -5.40 4.37 -0.44 -3.56 2.96 -1.26 -4.68 118.68 110.67 1n2i s LEU 262 Ca 0.58 2.55 0.05 0.00 -0.22 0.00 0.00 54.13 57.10 1n2i s LEU 262 Cb -0.14 -3.57 0.19 0.00 0.50 0.00 0.00 46.19 43.17 1n2i s LEU 262 CO 0.53 -0.89 0.49 0.59 -1.32 0.00 0.00 176.35 175.75 1n2i n ASN 263 N 5.30 -1.37 0.00 3.68 3.02 -1.26 -5.00 115.26 119.63 1n2i n ASN 263 Ca 0.16 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 1n2i n ASN 263 Cb 0.40 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1n2i n ASN 263 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n2i n GLY 264 N 2.67 2.43 3.37 7.41 0.00 -1.26 -4.96 105.19 114.85 1n2i n GLY 264 Ca 0.25 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1n2i n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n2i s SER 265 N 0.00 4.23 0.20 1.61 0.01 -1.26 -0.91 113.70 117.58 1n2i s SER 265 Ca 0.00 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.98 1n2i s SER 265 Cb 0.00 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1n2i s SER 265 CO 0.00 0.10 0.19 0.61 0.41 0.00 0.00 173.24 174.55 1n2i n GLY 266 N 3.96 3.21 2.86 3.44 0.00 0.52 -3.44 105.19 115.74 1n2i n GLY 266 Ca -0.18 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 1n2i n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1n2i s ARG 267 N -2.75 0.57 -0.22 1.61 6.06 0.12 -1.49 118.95 122.84 1n2i s ARG 267 Ca 0.23 -0.03 -0.09 0.00 -2.50 0.00 0.00 55.73 53.33 1n2i s ARG 267 Cb 0.01 -0.65 -0.05 0.00 0.06 0.00 0.00 34.95 34.33 1n2i s ARG 267 CO 0.16 -0.09 0.12 -1.17 -2.50 0.00 0.00 175.30 171.82 1n2i s LEU 268 N 0.89 3.96 -0.00 -0.88 2.96 -0.35 -0.90 118.68 124.36 1n2i s LEU 268 Ca -0.10 0.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1n2i s LEU 268 Cb -0.13 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1n2i s LEU 268 CO -0.01 0.09 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.13 1n2i s LEU 269 N 0.87 2.08 0.03 -0.68 1.02 0.22 -1.24 118.68 120.97 1n2i s LEU 269 Ca 0.06 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 53.79 1n2i s LEU 269 Cb -0.13 -1.15 -0.02 0.00 0.02 0.00 0.00 46.19 44.91 1n2i s LEU 269 CO 0.03 0.26 -0.07 0.54 0.02 0.00 0.00 176.35 177.13 1n2i s VAL 270 N -0.60 0.51 -0.02 -1.59 0.11 -0.37 -0.95 120.40 117.49 1n2i s VAL 270 Ca 0.09 -0.88 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1n2i s VAL 270 Cb -0.09 -0.54 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1n2i s VAL 270 CO -0.00 -0.27 0.00 0.00 -3.33 0.00 0.00 175.10 171.51 1n2i s ALA 271 N -1.09 0.19 0.01 1.54 0.00 -0.65 -2.01 121.76 119.75 1n2i s ALA 271 Ca -0.07 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.89 1n2i s ALA 271 Cb -0.08 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1n2i s ALA 271 CO 0.00 -0.05 0.29 0.00 0.00 0.00 0.00 175.76 176.00 1n2i s ALA 272 N 0.73 -0.71 -0.13 0.00 0.00 -0.30 -0.40 121.76 120.95 1n2i s ALA 272 Ca -0.07 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 1n2i s ALA 272 Cb -0.10 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1n2i s ALA 272 CO -0.02 -0.30 -0.00 1.03 0.00 0.00 0.00 175.76 176.47 1n2i s ARG 273 N -1.72 3.46 -0.33 0.00 0.52 -0.23 -0.03 118.95 120.61 1n2i s ARG 273 Ca -0.11 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1n2i s ARG 273 Cb -0.04 -2.92 0.10 0.00 0.52 0.00 0.00 34.95 32.60 1n2i s ARG 273 CO 0.02 0.43 0.04 -0.51 0.02 0.00 0.00 175.30 175.30 1n2i s LEU 274 N -0.13 4.57 0.00 2.53 1.02 0.66 -1.31 118.68 126.02 1n2i s LEU 274 Ca 0.04 -2.08 0.00 0.00 0.02 0.00 0.00 54.13 52.11 1n2i s LEU 274 Cb -0.13 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.49 1n2i s LEU 274 CO 0.02 -0.37 0.00 0.61 0.02 0.00 0.00 176.35 176.63 1n2i n GLY 275 N 4.29 1.90 0.28 -3.19 0.00 -1.26 -1.91 105.19 105.30 1n2i n GLY 275 Ca 0.02 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1n2i n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n2i n THR 276 N 0.00 0.00 -3.04 2.61 -2.24 -1.26 -4.86 114.28 105.48 1n2i n THR 276 Ca 0.00 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 1n2i n THR 276 Cb 0.00 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1n2i n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1n2i s THR 277 N -2.44 4.88 -0.27 4.28 2.01 -0.80 -5.03 115.64 118.27 1n2i s THR 277 Ca 0.26 1.00 -0.15 0.00 0.31 0.00 0.00 61.69 63.10 1n2i s THR 277 Cb 0.19 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1n2i s THR 277 CO 0.50 -0.19 0.39 -0.60 -0.69 0.00 0.00 174.62 174.03 1n2i s ARG 278 N 2.76 4.03 0.08 4.92 3.52 -1.26 -0.24 118.95 132.75 1n2i s ARG 278 Ca 0.28 0.09 0.05 0.00 -0.13 0.00 0.00 55.73 56.02 1n2i s ARG 278 Cb -0.15 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 1n2i s ARG 278 CO 0.12 -0.28 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.78 1n2i s LEU 279 N 2.09 3.33 0.13 -0.88 1.43 0.96 -4.95 118.68 120.78 1n2i s LEU 279 Ca 0.16 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1n2i s LEU 279 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1n2i s LEU 279 CO 0.10 0.19 -0.16 -0.76 0.23 0.00 0.00 176.35 175.95 1n2i s LEU 280 N -2.14 2.38 0.17 1.79 1.43 -1.26 -1.15 118.68 119.90 1n2i s LEU 280 Ca 0.23 -0.78 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 1n2i s LEU 280 Cb -0.11 -0.68 0.06 0.00 0.03 0.00 0.00 46.19 45.49 1n2i s LEU 280 CO 0.15 -0.07 0.64 -0.62 0.23 0.00 0.00 176.35 176.68 1n2i s ASP 281 N -2.35 -0.50 0.19 2.29 -1.08 -0.85 -4.89 116.67 109.48 1n2i s ASP 281 Ca 0.09 -0.10 -0.23 0.00 -0.52 0.00 0.00 52.55 51.80 1n2i s ASP 281 Cb -0.07 0.61 0.06 0.00 -1.46 0.00 0.00 42.92 42.06 1n2i s ASP 281 CO 0.04 -1.01 0.64 0.54 0.52 0.00 0.00 175.17 175.90 1n2i s ASN 282 N -2.76 -0.48 0.00 -0.34 2.20 -1.26 -1.24 114.94 111.05 1n2i s ASN 282 Ca 0.03 -0.16 -0.19 0.00 -0.94 0.00 0.00 52.86 51.60 1n2i s ASN 282 Cb -0.02 0.63 0.04 0.00 -2.00 0.00 0.00 41.25 39.90 1n2i s ASN 282 CO -0.09 -1.06 0.43 -0.51 -2.94 0.00 0.00 177.10 172.92 1n2i s ILE 283 N -3.78 0.05 0.39 0.54 2.07 -0.37 -4.98 121.20 115.12 1n2i s ILE 283 Ca 0.04 -0.37 -0.25 0.00 -1.41 0.00 0.00 60.65 58.65 1n2i s ILE 283 Cb -0.02 -0.83 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 1n2i s ILE 283 CO -0.08 -0.20 1.15 0.00 -1.91 0.00 0.00 174.94 173.89 1n2i s ALA 284 N -1.77 3.16 -0.01 1.50 0.00 -1.26 -1.21 121.76 122.17 1n2i s ALA 284 Ca -0.10 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1n2i s ALA 284 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1n2i s ALA 284 CO 0.03 -0.46 -0.04 0.42 0.00 0.00 0.00 175.76 175.71 1n2i s ILE 285 N -1.43 0.34 -0.17 0.00 -1.09 -0.56 -4.86 121.20 113.44 1n2i s ILE 285 Ca 0.56 -0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.83 1n2i s ILE 285 Cb -0.29 -0.31 0.01 0.00 -1.58 0.00 0.00 42.46 40.29 1n2i s ILE 285 CO 0.37 0.11 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.38 1n2i s GLU 286 N 0.04 3.04 -0.05 2.79 2.02 -1.26 -0.35 118.70 124.92 1n2i s GLU 286 Ca 0.00 -0.82 -0.23 0.00 0.02 0.00 0.00 54.97 53.94 1n2i s GLU 286 Cb -0.03 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 1n2i s GLU 286 CO -0.00 -0.13 0.67 0.42 0.02 0.00 0.00 175.26 176.24 1n2i s ILE 287 N 1.11 5.00 0.00 -1.63 -1.09 -0.08 -4.54 121.20 119.96 1n2i s ILE 287 Ca 0.00 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1n2i s ILE 287 Cb -0.14 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1n2i s ILE 287 CO -0.08 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.54