#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3i n GLU 2 N 0.00 0.00 0.01 0.00 4.07 -1.26 -3.68 120.64 119.77 2g3i n GLU 2 Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 2g3i n GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 2g3i n GLU 2 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2g3i n SER 3 N 0.00 0.73 -4.27 4.31 3.41 -1.26 -4.82 113.62 111.73 2g3i n SER 3 Ca 0.00 -0.60 -0.18 0.00 -0.26 0.00 0.00 58.87 57.83 2g3i n SER 3 Cb 0.00 0.90 -0.11 0.00 -0.26 0.00 0.00 64.21 64.74 2g3i n SER 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2g3i s THR 4 N -3.09 1.45 0.13 6.66 -4.23 -1.26 -5.05 115.64 110.25 2g3i s THR 4 Ca 0.06 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 58.55 2g3i s THR 4 Cb 0.16 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.31 2g3i s THR 4 CO 0.83 -0.44 1.72 -0.07 -0.54 0.00 0.00 174.62 176.12 2g3i h LEU 5 N 3.33 -0.08 -0.07 4.79 3.38 -1.88 -0.12 115.31 124.66 2g3i h LEU 5 Ca -0.40 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2g3i h LEU 5 Cb 1.20 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2g3i h LEU 5 CO 0.53 -0.01 0.02 1.23 0.09 0.00 0.00 178.44 180.30 2g3i h GLY 6 N 0.07 0.08 1.17 0.83 0.00 -1.07 -0.76 103.07 103.40 2g3i h GLY 6 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 2g3i h GLY 6 CO -0.17 0.01 0.11 0.00 0.00 0.00 0.00 176.54 176.49 2g3i h ALA 7 N 1.04 1.01 -0.29 3.60 0.00 -1.79 -1.01 119.26 121.82 2g3i h ALA 7 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2g3i h ALA 7 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2g3i h ALA 7 CO -0.03 0.63 0.18 0.00 0.00 0.00 0.00 179.25 180.03 2g3i h ALA 8 N 1.15 0.37 -0.72 0.00 0.00 -0.77 -2.69 119.26 116.59 2g3i h ALA 8 Ca 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2g3i h ALA 8 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2g3i h ALA 8 CO 0.01 -0.14 0.48 0.00 0.00 0.00 0.00 179.25 179.60 2g3i h ALA 9 N 1.08 0.92 0.00 0.00 0.00 -0.96 -2.86 119.26 117.43 2g3i h ALA 9 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2g3i h ALA 9 Cb -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2g3i h ALA 9 CO -0.02 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.51 2g3i h ALA 10 N 1.27 1.22 0.00 0.00 0.00 -0.38 -1.82 119.26 119.55 2g3i h ALA 10 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2g3i h ALA 10 Cb -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2g3i h ALA 10 CO -0.06 0.07 -0.05 1.96 0.00 0.00 0.00 179.25 181.17 2g3i h GLN 11 N 0.00 0.00 -0.63 0.00 4.20 -1.32 -1.41 115.11 115.95 2g3i h GLN 11 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2g3i h GLN 11 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2g3i h GLN 11 CO 0.01 0.05 0.00 -1.13 -0.67 0.00 0.00 178.83 177.08 2g3i n SER 12 N -4.08 3.95 -0.02 1.46 3.41 -0.75 -4.95 113.62 112.64 2g3i n SER 12 Ca -0.03 -2.13 -0.00 0.00 -0.26 0.00 0.00 58.87 56.45 2g3i n SER 12 Cb 0.13 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2g3i n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g3i n GLY 13 N 1.27 0.42 3.68 5.00 0.00 -0.53 -5.05 105.19 109.99 2g3i n GLY 13 Ca 0.22 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 2g3i n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g3i s ARG 14 N -1.58 2.11 0.22 1.61 0.52 -0.81 -4.96 118.95 116.07 2g3i s ARG 14 Ca 0.00 -1.96 0.11 0.00 -0.52 0.00 0.00 55.73 53.35 2g3i s ARG 14 Cb 0.00 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 2g3i s ARG 14 CO 0.00 -0.08 -0.16 1.52 0.02 0.00 0.00 175.30 176.59 2g3i s TYR 15 N -2.65 2.44 -0.13 -0.53 -0.85 -1.06 -1.80 117.35 112.77 2g3i s TYR 15 Ca 0.38 -0.30 0.01 0.00 -0.52 0.00 0.00 57.07 56.64 2g3i s TYR 15 Cb 0.07 -1.15 0.02 0.00 0.38 0.00 0.00 41.96 41.27 2g3i s TYR 15 CO 0.21 0.57 -0.13 0.12 -1.52 0.00 0.00 175.55 174.79 2g3i s PHE 16 N -1.95 1.97 0.43 -3.49 2.19 -1.26 -2.17 117.98 113.71 2g3i s PHE 16 Ca 0.25 -1.04 0.03 0.00 0.33 0.00 0.00 56.93 56.51 2g3i s PHE 16 Cb -0.07 -1.47 -0.03 0.00 -1.31 0.00 0.00 43.02 40.14 2g3i s PHE 16 CO 0.14 -0.58 0.07 0.20 1.83 0.00 0.00 175.22 176.88 2g3i s GLY 17 N 1.37 2.65 0.07 13.12 0.00 0.71 -1.69 107.32 123.55 2g3i s GLY 17 Ca 0.01 -1.18 -0.07 0.00 0.00 0.00 0.00 44.72 43.48 2g3i s GLY 17 CO -0.07 -1.96 0.15 -1.08 0.00 0.00 0.00 173.10 170.13 2g3i s THR 18 N -3.08 0.15 0.07 0.90 -1.32 -0.72 -1.19 115.64 110.45 2g3i s THR 18 Ca 0.21 -1.21 -0.30 0.00 -1.21 0.00 0.00 61.69 59.18 2g3i s THR 18 Cb 0.04 -1.24 -0.05 0.00 -1.51 0.00 0.00 72.50 69.73 2g3i s THR 18 CO 0.11 -0.67 1.02 0.00 -2.21 0.00 0.00 174.62 172.87 2g3i s ALA 19 N -3.51 3.25 -0.10 11.08 0.00 -0.91 -1.44 121.76 130.12 2g3i s ALA 19 Ca 0.02 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2g3i s ALA 19 Cb 0.04 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2g3i s ALA 19 CO -0.09 -0.18 -0.14 0.42 0.00 0.00 0.00 175.76 175.78 2g3i s ILE 20 N 0.46 3.02 -0.17 0.00 -1.09 0.52 -4.19 121.20 119.76 2g3i s ILE 20 Ca 0.51 -0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 58.15 2g3i s ILE 20 Cb -0.24 -2.24 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 2g3i s ILE 20 CO 0.30 0.55 0.09 0.00 -1.23 0.00 0.00 174.94 174.65 2g3i s ALA 21 N -0.02 3.56 0.34 9.38 0.00 -1.26 -1.10 121.76 132.65 2g3i s ALA 21 Ca -0.04 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2g3i s ALA 21 Cb -0.14 -1.97 0.59 0.00 0.00 0.00 0.00 23.12 21.60 2g3i s ALA 21 CO 0.04 0.27 1.95 0.66 0.00 0.00 0.00 175.76 178.67 2g3i h SER 22 N 6.32 0.67 0.16 0.00 4.64 -1.99 -2.01 113.55 121.34 2g3i h SER 22 Ca -0.42 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2g3i h SER 22 Cb 1.17 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2g3i h SER 22 CO 0.69 0.57 0.00 1.23 -0.87 0.00 0.00 176.83 178.46 2g3i h GLY 23 N 0.85 0.00 -1.50 -0.77 0.00 -1.99 -2.83 103.07 96.83 2g3i h GLY 23 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2g3i h GLY 23 CO -0.03 0.00 -0.10 0.28 0.00 0.00 0.00 176.54 176.69 2g3i n LYS 24 N -2.32 1.80 0.14 4.80 5.02 -0.76 -4.41 118.16 122.44 2g3i n LYS 24 Ca -0.01 -1.55 0.13 0.00 -2.02 0.00 0.00 58.31 54.86 2g3i n LYS 24 Cb 0.08 -1.40 0.46 0.00 -0.02 0.00 0.00 35.03 34.15 2g3i n LYS 24 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2g3i h LEU 25 N 3.65 0.00 -0.55 -0.35 3.38 -1.56 -0.70 115.31 119.18 2g3i h LEU 25 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2g3i h LEU 25 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2g3i h LEU 25 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2g3i n GLY 26 N 0.55 -0.38 3.42 0.83 0.00 -1.26 -4.76 105.19 103.59 2g3i n GLY 26 Ca 0.03 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 2g3i n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2g3i s ASP 27 N -1.71 6.17 0.21 1.61 -1.08 -0.27 -4.98 116.67 116.62 2g3i s ASP 27 Ca 0.34 -1.08 -0.07 0.00 -0.52 0.00 0.00 52.55 51.23 2g3i s ASP 27 Cb 0.17 -2.22 0.16 0.00 -1.46 0.00 0.00 42.92 39.57 2g3i s ASP 27 CO 0.28 -0.70 1.68 -1.28 0.52 0.00 0.00 175.17 175.67 2g3i h SER 28 N 8.82 0.96 -0.62 -0.34 0.87 -1.85 -1.07 113.55 120.31 2g3i h SER 28 Ca -0.28 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.00 2g3i h SER 28 Cb 1.11 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 2g3i h SER 28 CO 0.88 1.01 0.31 0.00 -0.53 0.00 0.00 176.83 178.50 2g3i h ALA 29 N 1.09 1.32 0.01 6.23 0.00 -1.95 -0.04 119.26 125.92 2g3i h ALA 29 Ca 0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2g3i h ALA 29 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2g3i h ALA 29 CO 0.03 0.53 -0.00 -0.92 0.00 0.00 0.00 179.25 178.88 2g3i h TYR 30 N 0.92 -0.01 0.00 0.00 3.20 -1.71 -3.07 116.97 116.29 2g3i h TYR 30 Ca 0.23 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2g3i h TYR 30 Cb 0.10 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2g3i h TYR 30 CO 0.01 0.41 -0.44 1.79 -1.64 0.00 0.00 178.16 178.29 2g3i h THR 31 N -0.44 1.28 0.17 1.81 1.35 -1.13 -1.47 112.91 114.47 2g3i h THR 31 Ca -0.00 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2g3i h THR 31 Cb 0.43 1.84 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 2g3i h THR 31 CO 0.00 0.43 -0.17 0.74 -0.25 0.00 0.00 175.52 176.27 2g3i h THR 32 N 0.00 0.62 0.09 6.82 2.02 -1.05 -0.22 112.91 121.19 2g3i h THR 32 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2g3i h THR 32 Cb 0.80 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 2g3i h THR 32 CO 0.06 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 176.30 2g3i h ILE 33 N -0.37 0.97 -0.79 3.11 2.04 -1.42 -2.52 117.51 118.53 2g3i h ILE 33 Ca 0.00 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.65 2g3i h ILE 33 Cb 0.35 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2g3i h ILE 33 CO -0.05 0.06 0.52 0.00 0.00 0.00 0.00 178.15 178.68 2g3i h ALA 34 N 0.67 1.00 -0.26 1.87 0.00 -1.23 -0.54 119.26 120.78 2g3i h ALA 34 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2g3i h ALA 34 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2g3i h ALA 34 CO 0.02 0.42 -0.06 1.03 0.00 0.00 0.00 179.25 180.65 2g3i h SER 35 N 1.07 0.51 -0.49 0.00 0.87 -1.02 -2.92 113.55 111.57 2g3i h SER 35 Ca 0.29 -0.37 -0.06 0.00 -1.23 0.00 0.00 61.79 60.43 2g3i h SER 35 Cb -0.12 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 2g3i h SER 35 CO -0.06 0.75 0.09 -0.09 -0.53 0.00 0.00 176.83 176.99 2g3i h ARG 36 N 0.25 0.80 0.00 2.24 2.43 -1.08 -3.37 114.38 115.65 2g3i h ARG 36 Ca 0.07 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 2g3i h ARG 36 Cb 0.53 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2g3i h ARG 36 CO 0.03 0.80 -1.62 0.39 -1.51 0.00 0.00 179.97 178.05 2g3i n GLU 37 N -4.44 0.64 -4.72 0.20 -0.58 -0.24 -4.83 120.64 106.67 2g3i n GLU 37 Ca 0.01 0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.48 2g3i n GLU 37 Cb 0.25 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 29.30 2g3i n GLU 37 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2g3i s PHE 38 N -3.17 2.38 -0.20 -0.32 0.08 -1.10 -0.58 117.98 115.07 2g3i s PHE 38 Ca -0.05 -0.37 0.12 0.00 0.12 0.00 0.00 56.93 56.75 2g3i s PHE 38 Cb 0.10 -1.38 0.24 0.00 -0.57 0.00 0.00 43.02 41.42 2g3i s PHE 38 CO 0.84 0.21 1.16 0.27 -0.10 0.00 0.00 175.22 177.60 2g3i n ASN 39 N 1.51 2.57 -3.82 1.36 0.23 -0.68 -4.82 115.26 111.60 2g3i n ASN 39 Ca -0.17 -2.59 -0.12 0.00 -0.53 0.00 0.00 54.58 51.17 2g3i n ASN 39 Cb 0.52 -0.29 -0.11 0.00 -2.08 0.00 0.00 39.78 37.82 2g3i n ASN 39 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2g3i s MET 40 N -2.04 0.32 -0.02 -3.83 0.00 -1.23 -2.16 119.30 110.35 2g3i s MET 40 Ca 0.22 0.06 0.03 0.00 0.00 0.00 0.00 55.69 56.00 2g3i s MET 40 Cb 0.18 0.15 0.00 0.00 0.00 0.00 0.00 34.83 35.16 2g3i s MET 40 CO 0.05 -0.06 -0.09 0.08 0.00 0.00 0.00 175.02 175.00 2g3i s VAL 41 N -0.38 0.76 -0.04 10.11 1.01 -0.04 -1.76 120.40 130.06 2g3i s VAL 41 Ca -0.05 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2g3i s VAL 41 Cb -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 2g3i s VAL 41 CO 0.01 0.23 -0.22 -0.89 0.00 0.00 0.00 175.10 174.23 2g3i s THR 42 N 0.07 1.80 -0.09 3.92 2.01 -0.52 -0.57 115.64 122.26 2g3i s THR 42 Ca -0.01 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.75 2g3i s THR 42 Cb -0.07 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2g3i s THR 42 CO 0.00 0.51 1.26 0.00 -0.69 0.00 0.00 174.62 175.70 2g3i s ALA 43 N -0.23 3.57 0.23 7.40 0.00 -1.26 -0.35 121.76 131.13 2g3i s ALA 43 Ca 0.00 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 2g3i s ALA 43 Cb -0.12 -3.57 0.22 0.00 0.00 0.00 0.00 23.12 19.66 2g3i s ALA 43 CO 0.02 -0.96 1.90 1.49 0.00 0.00 0.00 175.76 178.21 2g3i h GLU 44 N 7.85 1.13 0.00 0.00 4.81 -1.46 -3.40 114.58 123.51 2g3i h GLU 44 Ca -0.32 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2g3i h GLU 44 Cb 1.14 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2g3i h GLU 44 CO 0.92 0.75 -0.05 0.09 -0.73 0.00 0.00 179.01 179.99 2g3i n ASN 45 N -4.49 0.23 0.00 1.04 3.02 -1.26 -4.93 115.26 108.88 2g3i n ASN 45 Ca 0.10 -0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 2g3i n ASN 45 Cb 0.03 0.05 0.56 0.00 -0.61 0.00 0.00 39.78 39.81 2g3i n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2g3i n GLU 46 N -0.07 0.19 -0.05 3.52 4.71 -1.26 -2.71 120.64 124.96 2g3i n GLU 46 Ca 0.00 0.08 0.02 0.00 -0.01 0.00 0.00 57.16 57.24 2g3i n GLU 46 Cb 0.00 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 28.98 2g3i n GLU 46 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2g3i n MET 47 N -1.38 2.95 -1.37 3.49 2.81 -1.25 -3.76 117.12 118.60 2g3i n MET 47 Ca 0.09 -1.67 -0.29 0.00 -1.81 0.00 0.00 57.70 54.02 2g3i n MET 47 Cb 0.23 -1.08 0.17 0.00 -0.71 0.00 0.00 33.22 31.83 2g3i n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2g3i s LYS 48 N -1.02 0.43 0.11 0.03 1.02 -1.10 -2.92 119.74 116.28 2g3i s LYS 48 Ca 0.07 0.23 -0.16 0.00 0.02 0.00 0.00 55.97 56.12 2g3i s LYS 48 Cb 0.04 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.54 2g3i s LYS 48 CO 0.05 -2.67 1.56 0.82 -0.92 0.00 0.00 175.35 174.19 2g3i h ILE 49 N -1.84 1.25 0.00 2.17 2.04 -1.76 -1.50 117.51 117.87 2g3i h ILE 49 Ca -0.50 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 2g3i h ILE 49 Cb 1.32 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2g3i h ILE 49 CO 0.54 0.30 -0.14 -2.24 0.00 0.00 0.00 178.15 176.62 2g3i h ASP 50 N 0.39 0.00 0.40 1.72 2.03 -1.82 0.66 116.42 119.79 2g3i h ASP 50 Ca 0.10 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.16 2g3i h ASP 50 Cb 0.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 2g3i h ASP 50 CO 0.01 0.14 -0.99 0.00 -1.03 0.00 0.00 179.24 177.38 2g3i h ALA 51 N 1.86 0.33 0.00 4.15 0.00 -1.72 -3.30 119.26 120.58 2g3i h ALA 51 Ca -0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 2g3i h ALA 51 Cb 0.67 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2g3i h ALA 51 CO 0.02 0.84 -2.09 0.25 0.00 0.00 0.00 179.25 178.28 2g3i n THR 52 N -3.71 0.87 -3.14 0.00 -2.24 -0.60 -4.57 114.28 100.89 2g3i n THR 52 Ca -0.07 -0.65 -0.21 0.00 -2.27 0.00 0.00 64.05 60.85 2g3i n THR 52 Cb 0.86 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 2g3i n THR 52 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2g3i n GLU 53 N -2.51 1.56 0.24 -0.78 2.13 0.20 -0.08 120.64 121.40 2g3i n GLU 53 Ca -0.22 -3.78 0.11 0.00 0.66 0.00 0.00 57.16 53.93 2g3i n GLU 53 Cb 0.91 -1.80 0.59 0.00 0.27 0.00 0.00 31.44 31.40 2g3i n GLU 53 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2g3i h PRO 54 N 3.17 0.00 -6.60 5.31 0.13 -1.68 -3.41 132.00 128.92 2g3i h PRO 54 Ca 0.11 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.54 2g3i h PRO 54 Cb 0.83 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.69 2g3i h PRO 54 CO 0.59 0.19 -0.86 1.14 -0.23 0.00 0.00 178.00 178.83 2g3i s GLN 55 N -3.96 2.07 -0.06 0.86 -2.07 -1.26 -4.80 119.66 110.44 2g3i s GLN 55 Ca -0.01 -0.95 -0.34 0.00 -1.82 0.00 0.00 55.36 52.23 2g3i s GLN 55 Cb 0.12 -2.09 -0.12 0.00 -1.09 0.00 0.00 33.01 29.83 2g3i s GLN 55 CO 0.62 0.55 1.85 -2.13 -1.32 0.00 0.00 175.29 174.86 2g3i n ARG 56 N 2.11 2.18 -0.92 9.60 0.63 -1.26 -1.34 116.66 127.66 2g3i n ARG 56 Ca -0.16 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 2g3i n ARG 56 Cb 0.52 -2.63 0.00 0.00 0.45 0.00 0.00 32.46 30.79 2g3i n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2g3i n GLY 57 N 4.30 0.49 3.00 5.14 0.00 -1.26 -4.99 105.19 111.86 2g3i n GLY 57 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2g3i n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g3i s GLN 58 N -0.51 2.10 0.18 1.61 -1.52 -0.45 -5.12 119.66 115.95 2g3i s GLN 58 Ca 0.00 -0.71 -0.08 0.00 -1.95 0.00 0.00 55.36 52.61 2g3i s GLN 58 Cb 0.00 -2.27 -0.07 0.00 -0.22 0.00 0.00 33.01 30.45 2g3i s GLN 58 CO 0.00 -0.35 0.48 -0.06 -0.25 0.00 0.00 175.29 175.11 2g3i s PHE 59 N 1.45 3.46 -0.22 0.91 0.08 -1.26 -4.02 117.98 118.38 2g3i s PHE 59 Ca 0.01 0.77 -0.02 0.00 0.12 0.00 0.00 56.93 57.81 2g3i s PHE 59 Cb -0.15 -2.17 0.07 0.00 -0.57 0.00 0.00 43.02 40.20 2g3i s PHE 59 CO -0.09 0.35 0.04 1.21 -0.10 0.00 0.00 175.22 176.63 2g3i s ASN 60 N -2.31 3.23 0.00 1.36 3.84 0.88 -4.97 114.94 116.97 2g3i s ASN 60 Ca 0.44 -1.02 0.12 0.00 0.21 0.00 0.00 52.86 52.61 2g3i s ASN 60 Cb -0.12 -0.70 0.17 0.00 -0.55 0.00 0.00 41.25 40.05 2g3i s ASN 60 CO 0.22 -0.32 1.00 0.49 -2.79 0.00 0.00 177.10 175.70 2g3i n PHE 61 N 4.98 0.15 0.09 0.43 3.72 -1.26 -4.11 117.46 121.46 2g3i n PHE 61 Ca -0.08 -0.15 -0.12 0.00 -0.05 0.00 0.00 57.45 57.05 2g3i n PHE 61 Cb 0.46 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.94 2g3i n PHE 61 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2g3i h SER 62 N 2.35 -0.67 -0.18 4.37 0.02 -1.94 0.10 113.55 117.60 2g3i h SER 62 Ca 0.00 0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 60.86 2g3i h SER 62 Cb 0.58 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 2g3i h SER 62 CO 0.00 -0.31 -0.56 0.00 -1.14 0.00 0.00 176.83 174.82 2g3i h ALA 63 N 0.41 0.53 -0.61 3.77 0.00 -1.88 -1.09 119.26 120.37 2g3i h ALA 63 Ca 0.04 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2g3i h ALA 63 Cb 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2g3i h ALA 63 CO -0.17 0.69 0.38 0.78 0.00 0.00 0.00 179.25 180.93 2g3i h GLY 64 N 0.80 0.88 2.00 0.00 0.00 -1.61 -2.09 103.07 103.06 2g3i h GLY 64 Ca 0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 2g3i h GLY 64 CO 0.12 0.25 -0.51 -0.55 0.00 0.00 0.00 176.54 175.85 2g3i h ASP 65 N 0.75 0.00 -0.51 0.19 3.32 -0.61 -0.64 116.42 118.93 2g3i h ASP 65 Ca 0.24 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2g3i h ASP 65 Cb 0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2g3i h ASP 65 CO -0.10 0.51 0.06 -0.09 -1.72 0.00 0.00 179.24 177.91 2g3i h ARG 66 N 0.00 0.86 -0.15 3.56 2.43 -0.54 0.20 114.38 120.75 2g3i h ARG 66 Ca -0.01 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2g3i h ARG 66 Cb 0.92 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2g3i h ARG 66 CO 0.07 0.86 -0.06 0.28 -1.51 0.00 0.00 179.97 179.61 2g3i h VAL 67 N 0.74 1.31 -0.35 0.20 2.07 -1.22 -1.88 116.25 117.11 2g3i h VAL 67 Ca 0.15 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.63 2g3i h VAL 67 Cb 0.43 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2g3i h VAL 67 CO 0.01 0.31 0.18 0.22 0.02 0.00 0.00 177.57 178.31 2g3i h TYR 68 N -0.03 0.33 -0.62 1.57 3.20 -1.00 -0.70 116.97 119.71 2g3i h TYR 68 Ca 0.03 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2g3i h TYR 68 Cb 0.52 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2g3i h TYR 68 CO 0.06 0.17 0.15 -0.91 -1.64 0.00 0.00 178.16 176.00 2g3i h ASN 69 N 0.36 0.95 -0.80 -2.11 2.35 -0.60 -1.65 115.58 114.08 2g3i h ASN 69 Ca 0.15 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2g3i h ASN 69 Cb 0.06 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 2g3i h ASN 69 CO -0.10 0.94 0.46 -0.25 -1.65 0.00 0.00 177.43 176.83 2g3i h TRP 70 N 0.92 1.08 0.14 1.19 7.01 -1.04 -1.75 115.95 123.51 2g3i h TRP 70 Ca 0.20 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2g3i h TRP 70 Cb 0.36 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 2g3i h TRP 70 CO 0.03 0.74 -0.07 0.00 -2.79 0.00 0.00 178.44 176.35 2g3i h ALA 71 N 1.25 -0.19 -0.26 2.65 0.00 -0.77 -2.34 119.26 119.59 2g3i h ALA 71 Ca 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2g3i h ALA 71 Cb -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2g3i h ALA 71 CO -0.05 -0.56 -0.34 0.28 0.00 0.00 0.00 179.25 178.59 2g3i h VAL 72 N -0.28 1.29 0.00 0.00 2.07 -1.26 -0.06 116.25 118.01 2g3i h VAL 72 Ca -0.02 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2g3i h VAL 72 Cb 0.23 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2g3i h VAL 72 CO 0.03 0.46 0.00 1.56 0.02 0.00 0.00 177.57 179.64 2g3i h GLN 73 N 0.48 0.00 -0.24 1.57 4.20 -1.28 -2.96 115.11 116.88 2g3i h GLN 73 Ca 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2g3i h GLN 73 Cb 0.81 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2g3i h GLN 73 CO 0.07 0.00 -0.00 0.09 -0.67 0.00 0.00 178.83 178.31 2g3i n ASN 74 N -3.03 3.60 -0.32 1.46 3.02 -0.86 -4.99 115.26 114.13 2g3i n ASN 74 Ca 0.00 -3.10 -0.03 0.00 -0.03 0.00 0.00 54.58 51.42 2g3i n ASN 74 Cb 0.29 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.91 2g3i n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g3i n GLY 75 N -0.67 0.38 3.72 7.41 0.00 -0.83 -5.00 105.19 110.20 2g3i n GLY 75 Ca 0.22 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2g3i n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g3i s LYS 76 N -3.46 2.65 0.77 1.61 3.01 -0.10 -4.89 119.74 119.33 2g3i s LYS 76 Ca 0.00 -0.84 -0.08 0.00 -1.01 0.00 0.00 55.97 54.04 2g3i s LYS 76 Cb 0.00 -2.57 0.11 0.00 -1.01 0.00 0.00 37.83 34.35 2g3i s LYS 76 CO 0.00 0.53 1.09 -0.65 0.51 0.00 0.00 175.35 176.82 2g3i s GLN 77 N -2.51 1.72 -0.01 1.68 -0.21 -0.92 -3.99 119.66 115.42 2g3i s GLN 77 Ca 0.27 -0.46 0.01 0.00 0.02 0.00 0.00 55.36 55.20 2g3i s GLN 77 Cb -0.11 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.78 2g3i s GLN 77 CO 0.20 -1.56 -0.03 0.08 -2.12 0.00 0.00 175.29 171.85 2g3i s VAL 78 N -3.38 0.29 -0.16 1.09 1.01 -1.26 -0.86 120.40 117.12 2g3i s VAL 78 Ca 0.65 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.45 2g3i s VAL 78 Cb -0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2g3i s VAL 78 CO 0.47 0.11 0.12 -0.13 0.00 0.00 0.00 175.10 175.67 2g3i s ARG 79 N 0.28 3.82 -0.05 2.72 0.52 0.26 -1.36 118.95 125.14 2g3i s ARG 79 Ca -0.03 -0.21 -0.23 0.00 -0.52 0.00 0.00 55.73 54.74 2g3i s ARG 79 Cb -0.06 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 2g3i s ARG 79 CO -0.01 0.51 0.70 0.20 0.02 0.00 0.00 175.30 176.72 2g3i s GLY 80 N -0.24 2.65 -0.15 -3.53 0.00 0.12 -4.15 107.32 102.01 2g3i s GLY 80 Ca 0.10 0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.94 2g3i s GLY 80 CO 0.01 1.14 0.05 -1.58 0.00 0.00 0.00 173.10 172.71 2g3i s HIS 81 N 0.61 0.59 0.06 1.90 5.04 -1.26 -0.43 115.29 121.80 2g3i s HIS 81 Ca 0.37 -0.43 -0.12 0.00 -1.54 0.00 0.00 55.06 53.34 2g3i s HIS 81 Cb -0.18 -0.82 0.01 0.00 0.04 0.00 0.00 32.58 31.63 2g3i s HIS 81 CO 0.19 -0.48 0.26 -0.08 -2.34 0.00 0.00 174.74 172.29 2g3i s THR 82 N 2.00 0.10 -0.04 0.89 -1.32 -1.15 -3.00 115.64 113.13 2g3i s THR 82 Ca 0.02 -0.85 0.09 0.00 -1.21 0.00 0.00 61.69 59.74 2g3i s THR 82 Cb -0.15 -1.06 -0.24 0.00 -1.51 0.00 0.00 72.50 69.54 2g3i s THR 82 CO -0.07 -0.47 0.67 -0.07 -2.21 0.00 0.00 174.62 172.47 2g3i h LEU 83 N 3.05 0.08 -7.23 9.08 3.38 -1.38 -3.37 115.31 118.92 2g3i h LEU 83 Ca -0.33 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.28 2g3i h LEU 83 Cb 1.20 -0.03 -0.31 0.00 0.09 0.00 0.00 40.66 41.61 2g3i h LEU 83 CO 0.49 1.15 -0.50 0.00 0.09 0.00 0.00 178.44 179.67 2g3i s ALA 84 N -2.60 -0.61 -0.27 1.53 0.00 -0.21 -4.68 121.76 114.92 2g3i s ALA 84 Ca -0.07 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 52.66 2g3i s ALA 84 Cb 0.08 -0.95 0.07 0.00 0.00 0.00 0.00 23.12 22.32 2g3i s ALA 84 CO 0.82 -0.54 0.72 -0.46 0.00 0.00 0.00 175.76 176.30 2g3i s TRP 85 N 2.14 -0.83 0.33 0.00 -0.00 -1.26 -1.42 118.94 117.90 2g3i s TRP 85 Ca -0.02 1.95 0.26 0.00 -0.00 0.00 0.00 56.10 58.30 2g3i s TRP 85 Cb -0.12 0.33 1.30 0.00 -0.00 0.00 0.00 33.47 34.98 2g3i s TRP 85 CO -0.09 -0.40 2.00 1.12 -0.00 0.00 0.00 176.95 179.58 2g3i h HIS 86 N 5.33 0.00 -1.80 5.86 2.07 -1.88 -3.44 115.15 121.29 2g3i h HIS 86 Ca -0.29 0.00 -0.44 0.00 -2.85 0.00 0.00 60.37 56.79 2g3i h HIS 86 Cb 1.17 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.16 2g3i h HIS 86 CO 0.33 0.15 -0.34 0.45 -3.07 0.00 0.00 177.93 175.45 2g3i s SER 87 N -6.16 5.96 -1.37 3.10 0.15 -1.26 -4.58 113.70 109.55 2g3i s SER 87 Ca -0.02 -0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.39 2g3i s SER 87 Cb 0.12 -1.23 0.03 0.00 -1.71 0.00 0.00 66.02 63.24 2g3i s SER 87 CO 0.60 -0.43 0.40 0.00 1.20 0.00 0.00 173.24 175.01 2g3i n ALA 88 N -1.64 -0.95 -2.10 5.45 0.00 -1.26 -4.92 120.51 115.09 2g3i n ALA 88 Ca -0.00 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 2g3i n ALA 88 Cb 0.58 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.10 2g3i n ALA 88 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2g3i s GLN 89 N -5.66 4.33 0.72 0.00 -0.21 -1.26 -2.89 119.66 114.68 2g3i s GLN 89 Ca 0.26 0.92 -0.14 0.00 0.02 0.00 0.00 55.36 56.43 2g3i s GLN 89 Cb -0.13 -3.04 0.03 0.00 1.00 0.00 0.00 33.01 30.87 2g3i s GLN 89 CO 0.33 0.48 1.14 -1.25 -2.12 0.00 0.00 175.29 173.87 2g3i s PRO 90 N -1.62 2.37 0.22 2.91 0.04 -1.26 -4.76 135.00 132.91 2g3i s PRO 90 Ca 0.39 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 2g3i s PRO 90 Cb -0.19 -1.89 0.35 0.00 0.04 0.00 0.00 34.50 32.82 2g3i s PRO 90 CO 0.22 -1.60 1.69 0.78 0.04 0.00 0.00 177.00 178.12 2g3i h GLY 91 N -0.36 0.83 1.66 0.56 0.00 -1.97 -1.41 103.07 102.38 2g3i h GLY 91 Ca -0.46 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.89 2g3i h GLY 91 CO 0.51 -0.17 0.16 0.11 0.00 0.00 0.00 176.54 177.16 2g3i h TRP 92 N 0.23 0.18 0.20 5.60 5.08 -1.91 -2.63 115.95 122.70 2g3i h TRP 92 Ca 0.35 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 60.00 2g3i h TRP 92 Cb 0.57 -0.06 0.02 0.00 -3.00 0.00 0.00 29.16 26.69 2g3i h TRP 92 CO -0.28 0.11 -1.51 1.98 -1.28 0.00 0.00 178.44 177.45 2g3i h MET 93 N 0.19 0.42 -0.93 0.12 4.05 -1.64 -3.31 114.93 113.83 2g3i h MET 93 Ca 0.10 -0.72 0.11 0.00 -0.28 0.00 0.00 59.70 58.91 2g3i h MET 93 Cb 0.17 0.27 -0.07 0.00 -0.80 0.00 0.00 31.60 31.17 2g3i h MET 93 CO -0.02 1.33 0.60 1.96 0.23 0.00 0.00 176.91 181.01 2g3i h GLN 94 N 0.12 0.88 0.00 0.39 4.20 -1.06 -0.96 115.11 118.67 2g3i h GLN 94 Ca -0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 2g3i h GLN 94 Cb 2.10 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.68 2g3i h GLN 94 CO 0.23 0.58 -0.05 0.77 -0.67 0.00 0.00 178.83 179.68 2g3i h SER 95 N 0.90 0.00 -3.71 1.46 0.02 -1.56 -3.46 113.55 107.21 2g3i h SER 95 Ca 0.44 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.90 2g3i h SER 95 Cb 0.47 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2g3i h SER 95 CO -0.21 0.05 0.13 -0.76 -1.14 0.00 0.00 176.83 174.91 2g3i s LEU 96 N -6.87 3.77 0.12 5.07 1.43 -0.37 -5.09 118.68 116.75 2g3i s LEU 96 Ca -0.03 1.11 -0.09 0.00 -1.03 0.00 0.00 54.13 54.09 2g3i s LEU 96 Cb 0.13 -4.01 -0.00 0.00 0.03 0.00 0.00 46.19 42.33 2g3i s LEU 96 CO 0.53 -0.45 0.23 -0.94 0.23 0.00 0.00 176.35 175.95 2g3i s SER 97 N -3.36 0.08 0.82 2.29 1.04 -1.26 -4.77 113.70 108.54 2g3i s SER 97 Ca 0.51 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2g3i s SER 97 Cb -0.10 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2g3i s SER 97 CO 0.35 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2g3i n GLY 98 N -0.12 2.54 0.20 7.32 0.00 -1.26 -2.48 105.19 111.38 2g3i n GLY 98 Ca -0.12 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.47 2g3i n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g3i h SER 99 N 9.78 0.00 -0.25 1.61 4.64 -1.96 -0.34 113.55 127.03 2g3i h SER 99 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2g3i h SER 99 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2g3i h SER 99 CO 0.00 0.33 -0.27 0.74 -0.87 0.00 0.00 176.83 176.76 2g3i h THR 100 N 0.00 1.31 -0.41 2.95 2.02 -1.97 -0.91 112.91 115.91 2g3i h THR 100 Ca -0.00 -1.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 2g3i h THR 100 Cb 0.61 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 2g3i h THR 100 CO 0.04 0.45 0.25 0.25 0.37 0.00 0.00 175.52 176.88 2g3i h LEU 101 N 0.33 0.49 -0.41 2.58 5.85 -1.12 -1.78 115.31 121.26 2g3i h LEU 101 Ca 0.04 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2g3i h LEU 101 Cb 0.84 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 2g3i h LEU 101 CO 0.07 0.40 0.08 -0.09 -0.34 0.00 0.00 178.44 178.56 2g3i h ARG 102 N 0.54 0.21 -0.80 1.25 9.65 -0.96 0.18 114.38 124.45 2g3i h ARG 102 Ca 0.15 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 2g3i h ARG 102 Cb -0.00 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 2g3i h ARG 102 CO -0.03 0.14 0.32 0.37 2.80 0.00 0.00 179.97 183.57 2g3i h GLN 103 N 0.21 1.19 -0.95 0.20 5.75 -1.03 -1.78 115.11 118.70 2g3i h GLN 103 Ca 0.20 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2g3i h GLN 103 Cb 0.24 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 2g3i h GLN 103 CO -0.26 0.96 0.61 0.00 -2.65 0.00 0.00 178.83 177.49 2g3i h ALA 104 N 1.19 1.29 -0.37 3.38 0.00 -0.81 0.65 119.26 124.60 2g3i h ALA 104 Ca 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2g3i h ALA 104 Cb 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2g3i h ALA 104 CO -0.02 0.64 0.15 1.98 0.00 0.00 0.00 179.25 182.00 2g3i h MET 105 N 1.29 0.54 -0.02 0.00 1.85 -0.63 0.22 114.93 118.18 2g3i h MET 105 Ca 0.35 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.34 2g3i h MET 105 Cb -0.12 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 31.82 2g3i h MET 105 CO -0.07 0.52 0.01 0.82 -0.40 0.00 0.00 176.91 177.79 2g3i h ILE 106 N 0.44 1.05 -0.49 1.77 2.04 -1.00 -2.06 117.51 119.27 2g3i h ILE 106 Ca 0.12 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2g3i h ILE 106 Cb 0.18 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2g3i h ILE 106 CO -0.01 0.04 0.23 0.44 0.00 0.00 0.00 178.15 178.85 2g3i h ASP 107 N -0.02 0.61 -0.03 1.72 3.32 -0.81 -1.09 116.42 120.12 2g3i h ASP 107 Ca 0.01 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2g3i h ASP 107 Cb 0.05 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2g3i h ASP 107 CO -0.00 0.52 0.01 -0.74 -1.72 0.00 0.00 179.24 177.31 2g3i h HIS 108 N 0.68 0.05 -0.53 4.55 2.76 -0.84 -1.40 115.15 120.42 2g3i h HIS 108 Ca 0.17 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 2g3i h HIS 108 Cb 0.08 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 28.96 2g3i h HIS 108 CO 0.01 0.20 0.17 0.82 -1.30 0.00 0.00 177.93 177.83 2g3i h ILE 109 N -0.12 0.78 -0.49 6.26 2.04 -0.82 -1.37 117.51 123.80 2g3i h ILE 109 Ca 0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2g3i h ILE 109 Cb 0.17 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2g3i h ILE 109 CO -0.00 0.06 0.17 0.78 0.00 0.00 0.00 178.15 179.16 2g3i h ASN 110 N 0.34 0.69 -0.33 1.72 2.35 -1.12 -0.82 115.58 118.42 2g3i h ASN 110 Ca 0.26 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2g3i h ASN 110 Cb 0.32 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2g3i h ASN 110 CO -0.29 0.70 0.05 1.23 -1.65 0.00 0.00 177.43 177.48 2g3i h GLY 111 N 0.65 0.59 0.29 2.83 0.00 -0.96 0.79 103.07 107.26 2g3i h GLY 111 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2g3i h GLY 111 CO -0.01 0.36 -0.03 -2.08 0.00 0.00 0.00 176.54 174.78 2g3i h VAL 112 N 0.37 1.58 -0.81 4.60 2.07 -1.21 -2.41 116.25 120.43 2g3i h VAL 112 Ca 0.10 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 2g3i h VAL 112 Cb 0.35 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 2g3i h VAL 112 CO 0.01 0.46 0.43 0.24 0.02 0.00 0.00 177.57 178.73 2g3i h MET 113 N -0.70 1.14 -0.56 1.57 2.07 -1.23 -2.11 114.93 115.11 2g3i h MET 113 Ca -0.00 -0.14 0.08 0.00 -2.07 0.00 0.00 59.70 57.57 2g3i h MET 113 Cb 0.77 -0.22 -0.07 0.00 -1.87 0.00 0.00 31.60 30.22 2g3i h MET 113 CO 0.01 0.85 0.21 0.78 1.07 0.00 0.00 176.91 179.82 2g3i h GLY 114 N 1.17 0.77 1.21 8.32 0.00 -0.89 0.22 103.07 113.86 2g3i h GLY 114 Ca 0.29 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 2g3i h GLY 114 CO -0.04 -0.00 0.05 0.84 0.00 0.00 0.00 176.54 177.38 2g3i h HIS 115 N 0.39 1.02 -0.68 5.60 -0.00 -0.86 -2.91 115.15 117.71 2g3i h HIS 115 Ca 0.28 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2g3i h HIS 115 Cb 0.32 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 2g3i h HIS 115 CO -0.16 0.89 0.00 0.66 -0.00 0.00 0.00 177.93 179.32 2g3i n TYR 116 N -4.21 1.30 -1.65 5.26 4.01 -1.01 -5.02 117.16 115.85 2g3i n TYR 116 Ca 0.03 -0.57 -0.53 0.00 -0.16 0.00 0.00 57.90 56.67 2g3i n TYR 116 Cb 0.30 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.12 2g3i n TYR 116 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2g3i n LYS 117 N 1.32 1.34 0.00 -0.72 4.81 0.74 -0.42 118.16 125.23 2g3i n LYS 117 Ca 0.25 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 2g3i n LYS 117 Cb 0.79 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.67 2g3i n LYS 117 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2g3i n GLY 118 N 3.31 2.53 0.00 3.14 0.00 -1.26 -4.86 105.19 108.05 2g3i n GLY 118 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 2g3i n GLY 118 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g3i n LYS 119 N -2.00 0.25 -4.17 1.61 5.02 0.45 -4.93 118.16 114.38 2g3i n LYS 119 Ca 0.00 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 2g3i n LYS 119 Cb 0.00 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.37 2g3i n LYS 119 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2g3i s ILE 120 N -3.10 2.90 0.08 -0.18 -1.09 -1.24 -4.63 121.20 113.95 2g3i s ILE 120 Ca 0.04 -0.67 -0.18 0.00 -2.23 0.00 0.00 60.65 57.61 2g3i s ILE 120 Cb 0.15 -2.27 -0.09 0.00 -1.58 0.00 0.00 42.46 38.67 2g3i s ILE 120 CO 0.87 0.48 1.49 0.00 -1.23 0.00 0.00 174.94 176.55 2g3i h ALA 121 N 7.75 0.34 -3.59 9.38 0.00 -1.58 -3.40 119.26 128.16 2g3i h ALA 121 Ca -0.39 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.05 2g3i h ALA 121 Cb 1.17 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.59 2g3i h ALA 121 CO 0.60 0.12 -0.66 -0.65 0.00 0.00 0.00 179.25 178.66 2g3i s GLN 122 N -4.84 0.06 -0.14 0.00 -0.21 -1.24 -1.69 119.66 111.61 2g3i s GLN 122 Ca -0.14 0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.31 2g3i s GLN 122 Cb 0.07 0.02 -0.02 0.00 1.00 0.00 0.00 33.01 34.08 2g3i s GLN 122 CO 0.76 -0.01 -0.09 -1.58 -2.12 0.00 0.00 175.29 172.25 2g3i s TRP 123 N 0.08 2.91 -0.85 0.91 0.52 0.53 0.11 118.94 123.16 2g3i s TRP 123 Ca -0.00 -0.44 -0.25 0.00 0.02 0.00 0.00 56.10 55.43 2g3i s TRP 123 Cb -0.01 -1.88 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 2g3i s TRP 123 CO -0.00 -0.09 1.66 -0.51 0.02 0.00 0.00 176.95 178.02 2g3i s ASP 124 N 0.26 5.76 -0.06 2.95 1.01 0.42 0.18 116.67 127.20 2g3i s ASP 124 Ca -0.06 -0.67 -0.26 0.00 0.71 0.00 0.00 52.55 52.27 2g3i s ASP 124 Cb -0.15 -2.56 -0.22 0.00 1.01 0.00 0.00 42.92 41.00 2g3i s ASP 124 CO 0.04 -2.13 1.07 0.58 0.21 0.00 0.00 175.17 174.94 2g3i h VAL 125 N 6.82 1.54 -4.33 -1.27 2.07 -1.51 -2.02 116.25 117.56 2g3i h VAL 125 Ca -0.01 -1.68 -0.69 0.00 0.82 0.00 0.00 66.70 65.14 2g3i h VAL 125 Cb 1.05 2.65 -0.30 0.00 -1.52 0.00 0.00 31.29 33.17 2g3i h VAL 125 CO 1.29 0.44 -0.87 -0.69 0.02 0.00 0.00 177.57 177.76 2g3i s VAL 126 N -3.41 2.20 -0.08 2.57 1.01 -1.23 -1.05 120.40 120.41 2g3i s VAL 126 Ca -0.17 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.80 2g3i s VAL 126 Cb 0.00 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.60 2g3i s VAL 126 CO 0.70 0.58 -0.17 0.21 0.00 0.00 0.00 175.10 176.41 2g3i s ASN 127 N -0.47 2.37 -1.30 3.32 2.47 -0.50 -1.70 114.94 119.13 2g3i s ASN 127 Ca 0.06 -0.42 -0.03 0.00 0.42 0.00 0.00 52.86 52.89 2g3i s ASN 127 Cb -0.11 -1.09 0.01 0.00 -1.45 0.00 0.00 41.25 38.61 2g3i s ASN 127 CO 0.01 0.09 0.93 -0.62 -3.72 0.00 0.00 177.10 173.79 2g3i n GLU 128 N 3.70 -6.19 0.00 0.43 1.02 -0.02 -4.48 120.64 115.11 2g3i n GLU 128 Ca -0.21 0.75 0.14 0.00 -0.02 0.00 0.00 57.16 57.81 2g3i n GLU 128 Cb 0.52 -5.61 0.53 0.00 -0.02 0.00 0.00 31.44 26.86 2g3i n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g3i n ALA 129 N -4.38 2.84 -2.85 0.62 0.00 -1.26 -4.81 120.51 110.66 2g3i n ALA 129 Ca -0.21 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 2g3i n ALA 129 Cb 0.64 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 2g3i n ALA 129 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2g3i s PHE 130 N -2.71 3.42 0.56 0.00 0.40 -1.26 -0.75 117.98 117.64 2g3i s PHE 130 Ca 0.21 0.26 -0.16 0.00 -0.60 0.00 0.00 56.93 56.64 2g3i s PHE 130 Cb 0.19 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 2g3i s PHE 130 CO 0.54 0.60 1.03 0.45 0.70 0.00 0.00 175.22 178.54 2g3i s SER 131 N -2.01 6.08 -0.23 1.36 0.15 -0.31 -4.56 113.70 114.18 2g3i s SER 131 Ca 0.27 1.75 0.14 0.00 0.70 0.00 0.00 55.95 58.81 2g3i s SER 131 Cb -0.12 -2.53 0.82 0.00 -1.71 0.00 0.00 66.02 62.48 2g3i s SER 131 CO 0.19 -0.96 1.75 0.47 1.20 0.00 0.00 173.24 175.89 2g3i n ASP 132 N -1.82 5.73 -0.52 5.45 8.00 -1.26 -4.58 116.55 127.56 2g3i n ASP 132 Ca 0.08 -2.92 0.11 0.00 0.71 0.00 0.00 54.79 52.77 2g3i n ASP 132 Cb 0.53 -0.68 0.40 0.00 -0.02 0.00 0.00 41.12 41.35 2g3i n ASP 132 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2g3i n ASP 133 N 0.65 1.56 0.00 -2.24 5.75 -1.26 -4.91 116.55 116.10 2g3i n ASP 133 Ca 0.28 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 2g3i n ASP 133 Cb 1.19 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 2g3i n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g3i n GLY 134 N 1.12 1.52 0.10 6.12 0.00 -1.26 -4.90 105.19 107.88 2g3i n GLY 134 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2g3i n GLY 134 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2g3i n SER 135 N 0.00 0.73 -0.35 1.61 3.41 -1.26 -4.79 113.62 112.97 2g3i n SER 135 Ca 0.00 0.58 -0.05 0.00 -0.26 0.00 0.00 58.87 59.15 2g3i n SER 135 Cb 0.00 -0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 2g3i n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g3i n GLY 136 N 1.13 0.62 3.92 5.00 0.00 -1.26 -4.98 105.19 109.63 2g3i n GLY 136 Ca 0.05 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2g3i n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g3i n GLY 137 N -0.92 2.14 3.77 -0.02 0.00 -1.26 -4.19 105.19 104.71 2g3i n GLY 137 Ca -0.05 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 2g3i n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g3i s ARG 138 N -4.57 3.96 0.54 1.61 1.81 -1.26 -1.16 118.95 119.87 2g3i s ARG 138 Ca 0.55 1.83 -0.21 0.00 -1.72 0.00 0.00 55.73 56.18 2g3i s ARG 138 Cb -0.04 -2.59 -0.06 0.00 -0.45 0.00 0.00 34.95 31.80 2g3i s ARG 138 CO 0.35 -0.40 1.12 0.54 -0.68 0.00 0.00 175.30 176.22 2g3i n ARG 139 N -0.10 1.30 -2.25 3.54 1.74 0.07 -4.50 116.66 116.46 2g3i n ARG 139 Ca 0.05 0.48 -0.43 0.00 -0.77 0.00 0.00 57.85 57.19 2g3i n ARG 139 Cb 0.47 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 2g3i n ARG 139 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2g3i n ASP 140 N -0.53 4.75 -4.99 0.55 2.03 -1.26 -4.68 116.55 112.42 2g3i n ASP 140 Ca 0.11 -3.01 -0.19 0.00 0.52 0.00 0.00 54.79 52.22 2g3i n ASP 140 Cb 0.44 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 2g3i n ASP 140 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2g3i s SER 141 N 1.93 5.89 0.29 1.67 1.04 -1.26 -4.96 113.70 118.31 2g3i s SER 141 Ca 0.43 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.75 2g3i s SER 141 Cb 0.09 -1.20 0.67 0.00 0.10 0.00 0.00 66.02 65.68 2g3i s SER 141 CO -0.02 -0.53 1.77 -0.55 0.98 0.00 0.00 173.24 174.89 2g3i h ASN 142 N 0.77 0.68 0.12 7.02 -1.07 -1.94 -0.03 115.58 121.13 2g3i h ASN 142 Ca -0.45 0.10 -0.00 0.00 0.07 0.00 0.00 56.30 56.01 2g3i h ASN 142 Cb 1.26 -0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 37.49 2g3i h ASN 142 CO 0.52 0.25 -0.07 -0.07 0.07 0.00 0.00 177.43 178.13 2g3i h LEU 143 N 0.70 -0.19 -1.18 6.14 3.38 -1.94 -2.71 115.31 119.51 2g3i h LEU 143 Ca 0.54 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.57 2g3i h LEU 143 Cb 0.82 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2g3i h LEU 143 CO -0.38 -0.12 0.56 -0.61 0.09 0.00 0.00 178.44 177.98 2g3i h GLN 144 N -0.19 1.00 0.00 1.13 5.75 -1.72 -1.40 115.11 119.68 2g3i h GLN 144 Ca -0.01 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2g3i h GLN 144 Cb 0.16 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2g3i h GLN 144 CO 0.01 0.66 0.00 0.54 -2.65 0.00 0.00 178.83 177.39 2g3i n ARG 145 N -4.46 0.10 0.20 1.69 1.74 -0.07 -0.74 116.66 115.13 2g3i n ARG 145 Ca 0.12 0.45 0.14 0.00 -0.77 0.00 0.00 57.85 57.79 2g3i n ARG 145 Cb 0.14 -1.74 0.50 0.00 -1.02 0.00 0.00 32.46 30.35 2g3i n ARG 145 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2g3i h THR 146 N 0.00 0.00 0.00 0.55 1.35 -0.96 -3.43 112.91 110.42 2g3i h THR 146 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2g3i h THR 146 Cb 0.19 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2g3i h THR 146 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2g3i n GLY 147 N 0.39 4.21 0.40 5.82 0.00 0.09 -4.90 105.19 111.19 2g3i n GLY 147 Ca 0.02 -1.33 0.21 0.00 0.00 0.00 0.00 46.02 44.92 2g3i n GLY 147 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2g3i h ASN 148 N 0.00 0.11 0.00 1.61 -1.24 -1.90 -1.61 115.58 112.55 2g3i h ASN 148 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2g3i h ASN 148 Cb 0.00 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.04 2g3i h ASN 148 CO 0.00 0.05 0.00 -0.90 -1.29 0.00 0.00 177.43 175.29 2g3i n ASP 149 N -4.39 0.00 -0.28 1.15 5.75 -1.26 -3.95 116.55 113.57 2g3i n ASP 149 Ca 0.13 -0.90 0.03 0.00 -0.01 0.00 0.00 54.79 54.04 2g3i n ASP 149 Cb 0.66 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 41.00 2g3i n ASP 149 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2g3i h TRP 150 N 0.00 1.01 0.02 2.11 5.08 -1.61 -0.69 115.95 121.87 2g3i h TRP 150 Ca 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 59.99 2g3i h TRP 150 Cb 0.00 -0.34 0.00 0.00 -3.00 0.00 0.00 29.16 25.82 2g3i h TRP 150 CO 0.00 0.56 -0.01 0.82 -1.28 0.00 0.00 178.44 178.53 2g3i h ILE 151 N 1.03 1.30 -0.74 0.12 2.04 -1.85 -0.52 117.51 118.88 2g3i h ILE 151 Ca 0.36 -1.01 0.15 0.00 1.00 0.00 0.00 64.86 65.35 2g3i h ILE 151 Cb 0.11 1.97 -0.10 0.00 -0.74 0.00 0.00 36.82 38.06 2g3i h ILE 151 CO -0.12 0.26 0.26 -0.08 0.00 0.00 0.00 178.15 178.47 2g3i h GLU 152 N -0.47 0.36 -0.53 2.37 4.81 -1.78 -1.50 114.58 117.85 2g3i h GLU 152 Ca -0.00 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2g3i h GLU 152 Cb 0.45 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2g3i h GLU 152 CO 0.01 0.24 0.11 0.28 -0.73 0.00 0.00 179.01 178.91 2g3i h VAL 153 N 0.37 1.25 -0.53 0.32 2.07 -0.84 -1.39 116.25 117.51 2g3i h VAL 153 Ca 0.41 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 67.09 2g3i h VAL 153 Cb 0.66 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2g3i h VAL 153 CO -0.44 0.33 0.26 0.00 0.02 0.00 0.00 177.57 177.73 2g3i h ALA 154 N 0.99 0.68 -0.40 1.67 0.00 -0.53 -0.23 119.26 121.44 2g3i h ALA 154 Ca 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2g3i h ALA 154 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2g3i h ALA 154 CO 0.01 -0.10 0.01 0.74 0.00 0.00 0.00 179.25 179.91 2g3i h PHE 155 N 0.49 0.75 -0.41 0.00 0.04 -0.98 -0.77 116.94 116.07 2g3i h PHE 155 Ca 0.24 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 2g3i h PHE 155 Cb 0.17 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2g3i h PHE 155 CO -0.11 0.76 0.07 0.00 -0.60 0.00 0.00 178.31 178.43 2g3i h ARG 156 N 0.53 0.67 -0.46 1.51 3.08 -1.09 -1.55 114.38 117.06 2g3i h ARG 156 Ca 0.11 -0.18 0.09 0.00 0.07 0.00 0.00 59.98 60.07 2g3i h ARG 156 Cb 0.45 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 2g3i h ARG 156 CO 0.02 0.71 0.01 1.15 -1.07 0.00 0.00 179.97 180.79 2g3i h THR 157 N 0.52 0.65 -0.42 2.04 2.02 -1.01 -2.92 112.91 113.79 2g3i h THR 157 Ca 0.12 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 2g3i h THR 157 Cb 0.36 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2g3i h THR 157 CO 0.01 0.02 -0.10 0.00 0.37 0.00 0.00 175.52 175.82 2g3i h ALA 158 N 1.41 1.03 -0.70 6.16 0.00 -0.88 -1.24 119.26 125.02 2g3i h ALA 158 Ca 0.23 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2g3i h ALA 158 Cb 0.34 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2g3i h ALA 158 CO -0.38 0.59 0.43 -0.09 0.00 0.00 0.00 179.25 179.80 2g3i h ARG 159 N 0.68 0.80 -0.07 0.00 9.65 -1.12 -1.80 114.38 122.52 2g3i h ARG 159 Ca 0.12 -0.05 -0.19 0.00 -1.10 0.00 0.00 59.98 58.76 2g3i h ARG 159 Cb 0.57 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2g3i h ARG 159 CO 0.04 0.53 -0.75 0.00 2.80 0.00 0.00 179.97 182.59 2g3i h ALA 160 N 1.32 0.57 -0.32 2.80 0.00 -1.32 -2.34 119.26 119.97 2g3i h ALA 160 Ca 0.29 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2g3i h ALA 160 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2g3i h ALA 160 CO -0.13 0.77 -0.33 0.00 0.00 0.00 0.00 179.25 179.56 2g3i h ALA 161 N 0.91 0.83 -1.78 0.00 0.00 -0.83 -3.40 119.26 115.00 2g3i h ALA 161 Ca -0.03 -0.41 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 2g3i h ALA 161 Cb 1.33 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 18.70 2g3i h ALA 161 CO 0.13 0.64 -0.62 0.34 0.00 0.00 0.00 179.25 179.74 2g3i s ASP 162 N -6.81 0.66 0.61 0.00 -1.08 -0.71 -4.48 116.67 104.86 2g3i s ASP 162 Ca -0.09 -1.20 0.32 0.00 -0.52 0.00 0.00 52.55 51.07 2g3i s ASP 162 Cb 0.12 0.86 1.81 0.00 -1.46 0.00 0.00 42.92 44.26 2g3i s ASP 162 CO 0.83 -0.27 2.14 -0.65 0.52 0.00 0.00 175.17 177.75 2g3i h PRO 163 N 7.33 0.00 0.00 4.34 0.11 -1.64 -2.62 132.00 139.51 2g3i h PRO 163 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2g3i h PRO 163 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2g3i h PRO 163 CO 0.21 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 177.81 2g3i h ALA 164 N 1.78 0.88 -2.73 -0.75 0.00 -1.95 -3.46 119.26 113.03 2g3i h ALA 164 Ca 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.45 2g3i h ALA 164 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2g3i h ALA 164 CO -0.00 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.52 2g3i s ALA 165 N -3.15 3.38 0.14 0.00 0.00 -0.99 -4.95 121.76 116.19 2g3i s ALA 165 Ca 0.08 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 2g3i s ALA 165 Cb 0.11 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 2g3i s ALA 165 CO 0.65 0.23 1.29 0.15 0.00 0.00 0.00 175.76 178.08 2g3i s LYS 166 N -1.09 4.39 -0.29 0.00 1.02 -0.68 -4.91 119.74 118.18 2g3i s LYS 166 Ca 0.39 1.97 -0.09 0.00 0.02 0.00 0.00 55.97 58.26 2g3i s LYS 166 Cb -0.25 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.80 2g3i s LYS 166 CO 0.29 -0.29 0.14 -0.51 -0.92 0.00 0.00 175.35 174.07 2g3i s LEU 167 N 0.49 3.96 -0.05 3.17 1.43 -1.26 -0.34 118.68 126.08 2g3i s LEU 167 Ca 0.59 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2g3i s LEU 167 Cb -0.35 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 2g3i s LEU 167 CO 0.34 -0.14 -0.08 0.00 0.23 0.00 0.00 176.35 176.70 2g3i s TYR 169 N -0.85 3.37 -0.07 0.00 5.04 -0.67 -1.34 117.35 122.83 2g3i s TYR 169 Ca 0.13 0.70 0.05 0.00 -2.44 0.00 0.00 57.07 55.51 2g3i s TYR 169 Cb -0.11 -2.61 -0.01 0.00 0.35 0.00 0.00 41.96 39.58 2g3i s TYR 169 CO 0.03 -0.07 -0.22 1.21 -1.34 0.00 0.00 175.55 175.16 2g3i s ASN 170 N 1.12 3.33 0.23 4.32 2.47 -0.69 0.29 114.94 126.01 2g3i s ASN 170 Ca 0.22 -0.45 -0.18 0.00 0.42 0.00 0.00 52.86 52.86 2g3i s ASN 170 Cb -0.15 -1.03 0.02 0.00 -1.45 0.00 0.00 41.25 38.64 2g3i s ASN 170 CO 0.09 0.23 0.59 -0.62 -3.72 0.00 0.00 177.10 173.67 2g3i s ASP 171 N -0.09 -0.26 0.34 -4.21 -1.08 -0.91 -0.84 116.67 109.61 2g3i s ASP 171 Ca -0.05 -0.55 0.09 0.00 -0.52 0.00 0.00 52.55 51.52 2g3i s ASP 171 Cb -0.14 0.63 -0.05 0.00 -1.46 0.00 0.00 42.92 41.90 2g3i s ASP 171 CO 0.04 -1.16 0.07 -0.72 0.52 0.00 0.00 175.17 173.92 2g3i s TYR 172 N -3.90 2.62 -1.61 -5.34 1.13 -1.26 -0.91 117.35 108.08 2g3i s TYR 172 Ca 0.11 -0.40 -0.03 0.00 -1.41 0.00 0.00 57.07 55.34 2g3i s TYR 172 Cb -0.03 -1.54 0.01 0.00 -1.10 0.00 0.00 41.96 39.31 2g3i s TYR 172 CO 0.01 0.43 0.30 0.09 -2.51 0.00 0.00 175.55 173.87 2g3i n ASN 173 N -1.03 -5.76 -0.18 -0.18 5.03 -1.26 -4.89 115.26 106.99 2g3i n ASN 173 Ca -0.04 -0.14 0.10 0.00 0.87 0.00 0.00 54.58 55.36 2g3i n ASN 173 Cb 0.62 -4.73 0.15 0.00 -1.02 0.00 0.00 39.78 34.80 2g3i n ASN 173 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2g3i n ILE 174 N -4.19 1.95 -0.05 2.41 -5.35 -1.26 -4.18 119.36 108.68 2g3i n ILE 174 Ca -0.17 -2.30 -0.11 0.00 -0.27 0.00 0.00 62.75 59.90 2g3i n ILE 174 Cb 0.65 -0.24 -0.15 0.00 -1.74 0.00 0.00 39.64 38.16 2g3i n ILE 174 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2g3i n GLU 175 N -1.34 0.66 -2.72 6.28 4.71 -1.26 -4.76 120.64 122.21 2g3i n GLU 175 Ca 0.17 0.18 -0.43 0.00 -0.01 0.00 0.00 57.16 57.07 2g3i n GLU 175 Cb 0.67 -1.68 -0.03 0.00 -1.01 0.00 0.00 31.44 29.39 2g3i n GLU 175 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2g3i s ASN 176 N -5.99 6.78 0.57 1.62 3.84 -1.26 -3.84 114.94 116.66 2g3i s ASN 176 Ca -0.10 0.77 0.27 0.00 0.21 0.00 0.00 52.86 54.01 2g3i s ASN 176 Cb 0.07 -2.51 1.52 0.00 -0.55 0.00 0.00 41.25 39.79 2g3i s ASN 176 CO 0.81 -0.90 2.02 -0.25 -2.79 0.00 0.00 177.10 175.99 2g3i h TRP 177 N 8.39 0.00 -0.00 0.43 -0.00 -1.88 -1.78 115.95 121.10 2g3i h TRP 177 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.67 2g3i h TRP 177 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.23 2g3i h TRP 177 CO 0.85 0.00 -0.33 0.25 -0.00 0.00 0.00 178.44 179.21 2g3i n THR 178 N -3.98 0.00 -2.69 2.65 -2.24 -1.26 -4.68 114.28 102.08 2g3i n THR 178 Ca 0.05 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 2g3i n THR 178 Cb 0.48 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 2g3i n THR 178 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2g3i s TRP 179 N -2.76 3.75 0.33 4.78 0.52 -0.67 -4.95 118.94 119.94 2g3i s TRP 179 Ca 0.18 1.81 0.03 0.00 0.02 0.00 0.00 56.10 58.14 2g3i s TRP 179 Cb 0.19 -3.03 0.62 0.00 -1.15 0.00 0.00 33.47 30.10 2g3i s TRP 179 CO 0.60 0.10 1.96 0.00 0.02 0.00 0.00 176.95 179.62 2g3i h ALA 180 N 3.62 1.58 -0.38 0.98 0.00 -1.89 -1.68 119.26 121.49 2g3i h ALA 180 Ca -0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2g3i h ALA 180 Cb 1.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2g3i h ALA 180 CO 0.66 0.32 0.04 -0.22 0.00 0.00 0.00 179.25 180.06 2g3i h LYS 181 N 0.90 0.65 -0.35 0.00 3.64 -1.88 0.18 116.57 119.70 2g3i h LYS 181 Ca 0.32 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2g3i h LYS 181 Cb 0.12 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 2g3i h LYS 181 CO -0.10 0.72 0.07 1.15 -2.27 0.00 0.00 179.45 179.02 2g3i h THR 182 N 0.48 0.82 -0.44 1.00 2.02 -1.60 -1.63 112.91 113.57 2g3i h THR 182 Ca 0.11 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 2g3i h THR 182 Cb 0.40 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2g3i h THR 182 CO 0.01 0.03 -0.05 1.56 0.37 0.00 0.00 175.52 177.45 2g3i h GLN 183 N 0.19 0.74 -0.68 6.66 1.08 -1.09 -0.40 115.11 121.60 2g3i h GLN 183 Ca 0.17 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2g3i h GLN 183 Cb 0.19 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2g3i h GLN 183 CO -0.22 0.78 0.35 0.78 -0.95 0.00 0.00 178.83 179.57 2g3i h GLY 184 N 0.96 1.04 0.73 3.46 0.00 -0.59 0.32 103.07 109.00 2g3i h GLY 184 Ca 0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2g3i h GLY 184 CO 0.03 0.47 -0.05 -2.08 0.00 0.00 0.00 176.54 174.91 2g3i h VAL 185 N 0.94 1.31 -0.69 4.60 2.07 -1.08 -1.61 116.25 121.79 2g3i h VAL 185 Ca 0.24 -1.06 0.12 0.00 0.82 0.00 0.00 66.70 66.82 2g3i h VAL 185 Cb 0.08 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 2g3i h VAL 185 CO -0.03 0.30 0.27 0.22 0.02 0.00 0.00 177.57 178.35 2g3i h TYR 186 N -0.08 0.47 -0.32 1.57 3.20 -0.93 -0.36 116.97 120.53 2g3i h TYR 186 Ca 0.03 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2g3i h TYR 186 Cb 0.50 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2g3i h TYR 186 CO 0.06 0.10 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.56 2g3i h ASN 187 N 0.45 0.61 -0.38 -2.11 2.35 -0.86 -0.89 115.58 114.75 2g3i h ASN 187 Ca 0.36 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2g3i h ASN 187 Cb 0.49 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 2g3i h ASN 187 CO -0.35 0.82 0.11 -0.03 -1.65 0.00 0.00 177.43 176.33 2g3i h MET 188 N 0.54 0.59 -0.57 0.81 4.05 -0.27 -2.11 114.93 117.98 2g3i h MET 188 Ca 0.08 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.26 2g3i h MET 188 Cb 0.66 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 2g3i h MET 188 CO 0.05 0.61 -0.06 0.28 0.23 0.00 0.00 176.91 178.02 2g3i h VAL 189 N 0.46 1.27 -0.47 -5.77 2.07 -0.92 0.12 116.25 113.01 2g3i h VAL 189 Ca 0.12 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.45 2g3i h VAL 189 Cb 0.27 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2g3i h VAL 189 CO -0.00 0.43 0.29 -0.09 0.02 0.00 0.00 177.57 178.22 2g3i h ARG 190 N 0.93 0.57 -0.59 1.57 2.43 -1.14 -0.59 114.38 117.57 2g3i h ARG 190 Ca 0.16 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2g3i h ARG 190 Cb 0.62 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 2g3i h ARG 190 CO 0.04 0.38 0.31 0.22 -1.51 0.00 0.00 179.97 179.41 2g3i h ASP 191 N 0.59 0.45 -0.48 -3.80 3.58 -1.05 -1.13 116.42 114.58 2g3i h ASP 191 Ca 0.18 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2g3i h ASP 191 Cb -0.02 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2g3i h ASP 191 CO -0.07 0.30 0.29 -0.26 -2.88 0.00 0.00 179.24 176.62 2g3i h PHE 192 N 0.59 0.63 -0.45 0.28 -1.00 -0.61 -1.06 116.94 115.31 2g3i h PHE 192 Ca 0.26 -0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.92 2g3i h PHE 192 Cb 0.17 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2g3i h PHE 192 CO -0.09 0.44 -0.19 0.87 -1.61 0.00 0.00 178.31 177.73 2g3i h LYS 193 N 0.63 0.93 -0.97 1.51 1.79 -0.87 0.92 116.57 120.53 2g3i h LYS 193 Ca 0.17 -0.39 0.06 0.00 -2.18 0.00 0.00 60.65 58.30 2g3i h LYS 193 Cb -0.00 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.55 2g3i h LYS 193 CO -0.03 1.05 0.63 1.96 -1.08 0.00 0.00 179.45 181.98 2g3i h GLN 194 N 0.77 1.12 -0.02 3.15 4.20 -1.00 -2.98 115.11 120.35 2g3i h GLN 194 Ca 0.11 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2g3i h GLN 194 Cb 0.76 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2g3i h GLN 194 CO 0.06 0.74 -0.10 0.54 -0.67 0.00 0.00 178.83 179.40 2g3i n ARG 195 N -4.48 1.64 -2.09 1.46 1.74 -0.42 -4.96 116.66 109.55 2g3i n ARG 195 Ca 0.14 -1.14 -0.03 0.00 -0.77 0.00 0.00 57.85 56.05 2g3i n ARG 195 Cb 0.16 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2g3i n ARG 195 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3i n GLY 196 N 1.28 0.26 3.72 -0.13 0.00 -0.34 -5.03 105.19 104.95 2g3i n GLY 196 Ca 0.15 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2g3i n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g3i s VAL 197 N -2.20 4.46 -1.34 1.61 1.01 0.17 -4.95 120.40 119.17 2g3i s VAL 197 Ca 0.00 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.71 2g3i s VAL 197 Cb -0.00 -4.20 0.08 0.00 0.00 0.00 0.00 36.38 32.25 2g3i s VAL 197 CO 0.01 0.21 1.86 -0.81 0.00 0.00 0.00 175.10 176.36 2g3i n PRO 198 N 3.39 3.14 -4.14 2.72 -0.04 -1.26 -4.59 135.00 134.22 2g3i n PRO 198 Ca 0.05 -3.16 -0.34 0.00 -0.04 0.00 0.00 63.50 60.00 2g3i n PRO 198 Cb 0.49 -3.35 -0.12 0.00 -0.04 0.00 0.00 33.50 30.48 2g3i n PRO 198 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2g3i s ILE 199 N 3.38 4.20 -0.09 0.52 2.07 -1.26 -4.79 121.20 125.23 2g3i s ILE 199 Ca 0.50 -0.24 0.21 0.00 -1.41 0.00 0.00 60.65 59.71 2g3i s ILE 199 Cb 0.07 -2.88 -0.29 0.00 0.13 0.00 0.00 42.46 39.48 2g3i s ILE 199 CO 0.02 0.45 0.40 0.47 -1.91 0.00 0.00 174.94 174.37 2g3i n ASP 200 N 3.86 0.07 -3.60 4.50 8.00 0.01 -4.88 116.55 124.52 2g3i n ASP 200 Ca -0.17 0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.20 2g3i n ASP 200 Cb 0.52 1.58 -0.07 0.00 -0.02 0.00 0.00 41.12 43.13 2g3i n ASP 200 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g3i s VAL 202 N -1.12 2.89 -0.21 0.00 1.01 -0.46 -1.67 120.40 120.84 2g3i s VAL 202 Ca -0.11 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 2g3i s VAL 202 Cb -0.02 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2g3i s VAL 202 CO 0.08 0.51 0.23 -0.83 0.00 0.00 0.00 175.10 175.09 2g3i s GLY 203 N 0.66 2.06 -0.42 4.51 0.00 0.14 -1.76 107.32 112.52 2g3i s GLY 203 Ca -0.07 -0.68 -0.10 0.00 0.00 0.00 0.00 44.72 43.86 2g3i s GLY 203 CO 0.02 0.43 0.27 -1.36 0.00 0.00 0.00 173.10 172.46 2g3i s PHE 204 N 0.84 3.30 0.34 1.90 0.40 0.12 -2.14 117.98 122.74 2g3i s PHE 204 Ca 0.12 -1.31 0.08 0.00 -0.60 0.00 0.00 56.93 55.22 2g3i s PHE 204 Cb -0.13 -2.87 0.80 0.00 0.51 0.00 0.00 43.02 41.33 2g3i s PHE 204 CO 0.04 -0.80 1.83 1.96 0.70 0.00 0.00 175.22 178.95 2g3i h GLN 205 N 8.46 0.69 -5.81 0.44 4.20 -1.32 -0.88 115.11 120.89 2g3i h GLN 205 Ca -0.24 -0.04 -0.38 0.00 0.06 0.00 0.00 58.65 58.04 2g3i h GLN 205 Cb 1.09 -0.16 0.14 0.00 0.30 0.00 0.00 27.48 28.86 2g3i h GLN 205 CO 0.75 0.46 -0.71 0.43 -0.67 0.00 0.00 178.83 179.09 2g3i n SER 206 N -4.62 -5.12 -4.54 1.46 7.64 -1.26 -0.74 113.62 106.44 2g3i n SER 206 Ca 0.20 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 59.09 2g3i n SER 206 Cb 0.53 -5.02 -0.03 0.00 -1.01 0.00 0.00 64.21 58.67 2g3i n SER 206 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2g3i s HIS 207 N -3.33 2.36 -0.23 1.43 3.76 -1.26 -2.36 115.29 115.66 2g3i s HIS 207 Ca 0.42 -0.11 -0.10 0.00 -0.15 0.00 0.00 55.06 55.13 2g3i s HIS 207 Cb -0.19 -4.57 -0.05 0.00 1.11 0.00 0.00 32.58 28.88 2g3i s HIS 207 CO 0.73 -1.99 0.15 -0.06 -0.85 0.00 0.00 174.74 172.73 2g3i s PHE 208 N 5.43 3.32 0.08 1.40 0.08 -0.37 -4.81 117.98 123.11 2g3i s PHE 208 Ca 0.33 0.22 -0.03 0.00 0.12 0.00 0.00 56.93 57.58 2g3i s PHE 208 Cb -0.09 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 40.11 2g3i s PHE 208 CO 0.15 0.09 0.15 0.27 -0.10 0.00 0.00 175.22 175.78 2g3i n ASN 209 N 4.20 -0.45 0.11 1.36 0.23 -1.00 -0.97 115.26 118.74 2g3i n ASN 209 Ca -0.15 -1.35 0.04 0.00 -0.53 0.00 0.00 54.58 52.59 2g3i n ASN 209 Cb 0.52 0.76 0.46 0.00 -2.08 0.00 0.00 39.78 39.44 2g3i n ASN 209 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2g3i h SER 210 N 0.42 0.27 1.07 0.53 4.64 -1.96 -0.75 113.55 117.76 2g3i h SER 210 Ca -0.07 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2g3i h SER 210 Cb 0.26 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2g3i h SER 210 CO 0.09 0.27 -0.08 0.61 -0.87 0.00 0.00 176.83 176.86 2g3i n GLY 211 N -1.27 -1.53 2.57 -0.77 0.00 -1.26 -4.41 105.19 98.53 2g3i n GLY 211 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2g3i n GLY 211 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2g3i n SER 212 N -1.72 -1.90 -4.80 1.61 2.88 -0.41 -5.15 113.62 104.11 2g3i n SER 212 Ca 0.06 -3.12 -0.33 0.00 -1.33 0.00 0.00 58.87 54.15 2g3i n SER 212 Cb 0.37 1.05 -0.01 0.00 -0.75 0.00 0.00 64.21 64.86 2g3i n SER 212 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2g3i s PRO 213 N 0.08 3.55 0.42 -1.46 0.04 -0.46 -2.37 135.00 134.79 2g3i s PRO 213 Ca 0.33 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 2g3i s PRO 213 Cb 0.21 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 2g3i s PRO 213 CO -0.20 -0.63 1.45 0.98 0.04 0.00 0.00 177.00 178.64 2g3i n TYR 214 N -1.59 2.81 -4.34 0.56 9.36 -1.26 -4.91 117.16 117.79 2g3i n TYR 214 Ca 0.09 0.44 -0.18 0.00 3.32 0.00 0.00 57.90 61.57 2g3i n TYR 214 Cb 0.53 -2.49 -0.15 0.00 -0.63 0.00 0.00 39.34 36.60 2g3i n TYR 214 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2g3i s ASN 215 N -0.34 1.02 0.59 2.98 3.84 -1.26 -5.04 114.94 116.73 2g3i s ASN 215 Ca 0.58 -0.16 0.39 0.00 0.21 0.00 0.00 52.86 53.88 2g3i s ASN 215 Cb -0.46 -0.11 2.12 0.00 -0.55 0.00 0.00 41.25 42.25 2g3i s ASN 215 CO 0.60 0.10 2.19 0.77 -2.79 0.00 0.00 177.10 177.97 2g3i h SER 216 N 5.90 0.00 0.25 -4.21 4.64 -1.98 -1.15 113.55 117.00 2g3i h SER 216 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2g3i h SER 216 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2g3i h SER 216 CO 0.49 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 2g3i n ASN 217 N -2.89 0.00 -0.30 4.97 0.23 -1.26 -2.69 115.26 113.32 2g3i n ASN 217 Ca -0.03 0.31 0.14 0.00 -0.53 0.00 0.00 54.58 54.47 2g3i n ASN 217 Cb 0.08 -0.38 0.31 0.00 -2.08 0.00 0.00 39.78 37.71 2g3i n ASN 217 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2g3i h PHE 218 N 0.00 0.60 -0.87 -2.53 3.57 -1.31 0.48 116.94 116.89 2g3i h PHE 218 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2g3i h PHE 218 Cb 0.12 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 2g3i h PHE 218 CO 0.00 -0.08 0.56 -0.09 -2.23 0.00 0.00 178.31 176.47 2g3i h ARG 219 N 0.36 1.04 -0.41 1.11 2.43 -1.78 0.23 114.38 117.36 2g3i h ARG 219 Ca 0.56 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.65 2g3i h ARG 219 Cb 1.10 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2g3i h ARG 219 CO -0.55 0.69 0.19 1.15 -1.51 0.00 0.00 179.97 179.93 2g3i h THR 220 N 1.08 1.18 -0.22 0.20 2.02 -1.21 0.12 112.91 116.08 2g3i h THR 220 Ca 0.35 -0.53 0.06 0.00 0.77 0.00 0.00 66.41 67.06 2g3i h THR 220 Cb 0.03 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 2g3i h THR 220 CO -0.13 0.20 -0.18 0.74 0.37 0.00 0.00 175.52 176.52 2g3i h THR 221 N 0.51 0.50 -0.84 3.16 2.02 -0.39 -0.06 112.91 117.82 2g3i h THR 221 Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 2g3i h THR 221 Cb 0.14 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 2g3i h THR 221 CO -0.02 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.32 2g3i h LEU 222 N -0.19 1.00 -0.24 2.58 3.38 -0.59 -1.73 115.31 119.51 2g3i h LEU 222 Ca 0.13 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2g3i h LEU 222 Cb 0.38 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2g3i h LEU 222 CO -0.33 0.76 -0.01 1.56 0.09 0.00 0.00 178.44 180.50 2g3i h GLN 223 N 1.15 0.44 -0.45 1.13 4.20 -0.71 -1.01 115.11 119.85 2g3i h GLN 223 Ca 0.30 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 2g3i h GLN 223 Cb -0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2g3i h GLN 223 CO -0.06 0.63 0.10 -0.91 -0.67 0.00 0.00 178.83 177.92 2g3i h ASN 224 N 0.20 0.69 -0.28 1.46 2.35 -0.75 -1.20 115.58 118.05 2g3i h ASN 224 Ca 0.07 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2g3i h ASN 224 Cb 0.44 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2g3i h ASN 224 CO 0.02 0.75 0.13 -0.26 -1.65 0.00 0.00 177.43 176.41 2g3i h PHE 225 N 0.60 0.42 -0.93 1.19 -1.00 -1.27 -2.80 116.94 113.14 2g3i h PHE 225 Ca 0.14 -0.02 0.11 0.00 2.81 0.00 0.00 57.97 61.00 2g3i h PHE 225 Cb 0.33 -0.13 -0.08 0.00 3.61 0.00 0.00 35.95 39.69 2g3i h PHE 225 CO 0.02 0.39 0.57 0.00 -1.61 0.00 0.00 178.31 177.68 2g3i h ALA 226 N 0.98 1.37 0.00 2.45 0.00 -0.92 -0.66 119.26 122.48 2g3i h ALA 226 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2g3i h ALA 226 Cb 0.14 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g3i h ALA 226 CO -0.01 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.43 2g3i n ALA 227 N -2.36 1.57 0.43 0.00 0.00 -0.48 -0.97 120.51 118.70 2g3i n ALA 227 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 2g3i n ALA 227 Cb 0.31 -1.26 0.46 0.00 0.00 0.00 0.00 19.45 18.97 2g3i n ALA 227 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2g3i h LEU 228 N 0.00 0.00 -0.03 0.00 3.38 -1.04 -3.47 115.31 114.15 2g3i h LEU 228 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2g3i h LEU 228 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2g3i h LEU 228 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2g3i n GLY 229 N 0.54 1.38 3.31 0.83 0.00 -0.14 -4.94 105.19 106.17 2g3i n GLY 229 Ca 0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2g3i n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g3i s VAL 230 N -2.03 1.58 0.71 1.61 -7.23 -1.21 -4.97 120.40 108.86 2g3i s VAL 230 Ca 0.00 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 2g3i s VAL 230 Cb 0.00 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 35.04 2g3i s VAL 230 CO 0.00 -0.59 1.08 -1.81 -0.31 0.00 0.00 175.10 173.47 2g3i s ASP 231 N -3.14 5.28 0.03 4.85 1.01 0.01 -4.20 116.67 120.51 2g3i s ASP 231 Ca 0.19 0.98 0.02 0.00 0.71 0.00 0.00 52.55 54.46 2g3i s ASP 231 Cb -0.01 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 2g3i s ASP 231 CO 0.05 -1.41 -0.07 0.68 0.21 0.00 0.00 175.17 174.63 2g3i s VAL 232 N -3.34 0.50 0.02 -1.27 -7.23 0.12 -1.36 120.40 107.85 2g3i s VAL 232 Ca 0.58 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 2g3i s VAL 232 Cb -0.11 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.29 2g3i s VAL 232 CO 0.50 -0.23 -0.04 0.00 -0.31 0.00 0.00 175.10 175.03 2g3i s ALA 233 N -0.99 0.17 -0.39 1.32 0.00 -0.72 -0.73 121.76 120.42 2g3i s ALA 233 Ca -0.06 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 2g3i s ALA 233 Cb -0.08 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.19 2g3i s ALA 233 CO 0.00 -0.14 0.41 0.42 0.00 0.00 0.00 175.76 176.45 2g3i s ILE 234 N -1.40 5.12 -0.07 0.00 1.01 -0.79 -0.70 121.20 124.37 2g3i s ILE 234 Ca -0.15 -0.22 0.18 0.00 0.00 0.00 0.00 60.65 60.46 2g3i s ILE 234 Cb -0.10 -3.96 -0.28 0.00 0.01 0.00 0.00 42.46 38.13 2g3i s ILE 234 CO -0.01 -0.31 0.31 0.35 0.00 0.00 0.00 174.94 175.29 2g3i n THR 235 N 5.36 0.37 -2.74 2.92 -2.24 -0.34 0.01 114.28 117.62 2g3i n THR 235 Ca -0.08 -0.54 -0.04 0.00 -2.27 0.00 0.00 64.05 61.12 2g3i n THR 235 Cb 0.48 -0.12 0.07 0.00 -2.10 0.00 0.00 70.33 68.66 2g3i n THR 235 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2g3i n GLU 236 N -2.32 1.44 -1.83 -0.78 1.02 0.08 -4.57 120.64 113.68 2g3i n GLU 236 Ca -0.11 -2.86 -0.42 0.00 -0.02 0.00 0.00 57.16 53.75 2g3i n GLU 236 Cb 0.68 -0.99 -0.03 0.00 -0.02 0.00 0.00 31.44 31.08 2g3i n GLU 236 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2g3i s LEU 237 N -3.60 4.38 0.02 -4.62 2.96 0.30 -4.16 118.68 113.96 2g3i s LEU 237 Ca 0.23 2.62 -0.16 0.00 -0.22 0.00 0.00 54.13 56.60 2g3i s LEU 237 Cb 0.39 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.54 2g3i s LEU 237 CO -0.04 -0.93 0.36 1.51 -1.32 0.00 0.00 176.35 175.93 2g3i s ASP 238 N 2.40 -0.22 -0.18 3.68 1.47 -0.99 -1.21 116.67 121.62 2g3i s ASP 238 Ca 0.77 -0.01 -0.01 0.00 1.18 0.00 0.00 52.55 54.48 2g3i s ASP 238 Cb -0.43 0.38 0.05 0.00 -0.34 0.00 0.00 42.92 42.57 2g3i s ASP 238 CO 0.34 -0.59 -0.04 -0.63 0.68 0.00 0.00 175.17 174.93 2g3i s ILE 239 N -2.15 1.04 -0.26 2.11 1.01 -0.77 -1.23 121.20 120.96 2g3i s ILE 239 Ca -0.08 -0.67 -0.36 0.00 0.00 0.00 0.00 60.65 59.55 2g3i s ILE 239 Cb -0.02 -1.29 -0.12 0.00 0.01 0.00 0.00 42.46 41.05 2g3i s ILE 239 CO -0.00 0.05 2.02 1.67 0.00 0.00 0.00 174.94 178.67 2g3i n GLN 240 N 4.89 1.44 0.00 2.79 7.27 -0.14 -0.32 117.38 133.30 2g3i n GLN 240 Ca -0.11 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.43 2g3i n GLN 240 Cb 0.47 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.64 2g3i n GLN 240 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2g3i n GLY 241 N 5.45 0.88 4.04 1.69 0.00 -0.83 -4.60 105.19 111.82 2g3i n GLY 241 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 2g3i n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g3i n ALA 242 N -1.54 -1.44 -1.67 4.61 0.00 0.56 -4.88 120.51 116.15 2g3i n ALA 242 Ca 0.00 0.02 -0.48 0.00 0.00 0.00 0.00 53.44 52.98 2g3i n ALA 242 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 19.45 15.95 2g3i n ALA 242 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2g3i n SER 243 N -2.80 3.15 -0.26 0.00 2.88 -1.26 -4.45 113.62 110.88 2g3i n SER 243 Ca -0.02 1.03 0.07 0.00 -1.33 0.00 0.00 58.87 58.62 2g3i n SER 243 Cb 0.55 -1.38 0.20 0.00 -0.75 0.00 0.00 64.21 62.83 2g3i n SER 243 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2g3i h SER 244 N 7.44 0.10 -0.30 -3.46 0.02 -1.90 -0.78 113.55 114.67 2g3i h SER 244 Ca -0.47 0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.49 2g3i h SER 244 Cb 1.27 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2g3i h SER 244 CO 0.91 -0.02 -0.33 0.28 -1.14 0.00 0.00 176.83 176.54 2g3i h SER 245 N 0.31 0.86 -0.35 3.07 0.02 -1.97 -0.06 113.55 115.44 2g3i h SER 245 Ca 0.44 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 2g3i h SER 245 Cb 0.76 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2g3i h SER 245 CO -0.50 1.11 -0.07 0.74 -1.14 0.00 0.00 176.83 176.96 2g3i h THR 246 N 0.69 1.28 -0.62 -2.27 2.02 -1.87 0.43 112.91 112.56 2g3i h THR 246 Ca 0.07 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.13 2g3i h THR 246 Cb 0.88 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 2g3i h THR 246 CO 0.08 0.37 0.41 1.88 0.37 0.00 0.00 175.52 178.63 2g3i h TYR 247 N 0.45 0.77 -0.74 3.16 0.05 -0.99 -1.37 116.97 118.30 2g3i h TYR 247 Ca 0.09 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 2g3i h TYR 247 Cb 0.57 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 2g3i h TYR 247 CO 0.05 0.48 0.25 0.00 -1.05 0.00 0.00 178.16 177.89 2g3i h ALA 248 N 1.23 1.04 -0.25 3.88 0.00 -0.87 -2.30 119.26 121.98 2g3i h ALA 248 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2g3i h ALA 248 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2g3i h ALA 248 CO -0.06 0.66 0.12 0.00 0.00 0.00 0.00 179.25 179.97 2g3i h ALA 249 N 1.17 0.33 -0.49 0.00 0.00 -0.48 -0.10 119.26 119.69 2g3i h ALA 249 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2g3i h ALA 249 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2g3i h ALA 249 CO -0.01 -0.11 0.31 0.28 0.00 0.00 0.00 179.25 179.72 2g3i h VAL 250 N 0.28 1.13 -0.03 0.00 2.07 -1.26 -0.22 116.25 118.22 2g3i h VAL 250 Ca 0.09 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.35 2g3i h VAL 250 Cb 0.12 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2g3i h VAL 250 CO -0.01 0.13 -0.05 0.74 0.02 0.00 0.00 177.57 178.40 2g3i h THR 251 N 0.65 0.86 -0.01 2.57 2.02 -1.21 -2.40 112.91 115.40 2g3i h THR 251 Ca 0.18 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 2g3i h THR 251 Cb -0.05 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2g3i h THR 251 CO -0.04 0.00 -0.27 0.78 0.37 0.00 0.00 175.52 176.36 2g3i h ASN 252 N -0.08 0.02 -0.32 4.18 2.35 -0.73 -1.28 115.58 119.72 2g3i h ASN 252 Ca 0.03 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2g3i h ASN 252 Cb 0.12 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2g3i h ASN 252 CO -0.07 0.29 0.15 0.44 -1.65 0.00 0.00 177.43 176.58 2g3i h ASP 253 N 0.02 0.21 -0.19 5.81 3.32 -0.71 -0.81 116.42 124.07 2g3i h ASP 253 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2g3i h ASP 253 Cb 0.49 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2g3i h ASP 253 CO 0.04 0.16 0.07 0.00 -1.72 0.00 0.00 179.24 177.79 2g3i h LEU 255 N 0.15 0.00 0.00 0.00 3.38 -1.14 -1.92 115.31 115.78 2g3i h LEU 255 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2g3i h LEU 255 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2g3i h LEU 255 CO -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.35 2g3i h ALA 256 N 1.95 0.88 -3.20 1.53 0.00 -0.80 -3.43 119.26 116.19 2g3i h ALA 256 Ca 0.01 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.25 2g3i h ALA 256 Cb 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.57 2g3i h ALA 256 CO -0.00 0.00 -0.71 0.08 0.00 0.00 0.00 179.25 178.62 2g3i s VAL 257 N -3.13 3.20 0.37 0.00 1.01 -0.72 -4.99 120.40 116.14 2g3i s VAL 257 Ca 0.09 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2g3i s VAL 257 Cb 0.12 -2.64 0.14 0.00 0.00 0.00 0.00 36.38 34.00 2g3i s VAL 257 CO 0.64 0.16 1.88 0.77 0.00 0.00 0.00 175.10 178.54 2g3i h SER 258 N 8.08 0.22 -0.16 3.32 4.64 -1.84 -1.44 113.55 126.37 2g3i h SER 258 Ca -0.32 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2g3i h SER 258 Cb 1.11 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2g3i h SER 258 CO 0.58 0.42 0.00 0.54 -0.87 0.00 0.00 176.83 177.50 2g3i n ARG 259 N -4.23 1.63 -2.87 4.77 1.74 -1.26 -4.71 116.66 111.72 2g3i n ARG 259 Ca -0.01 -0.68 -0.43 0.00 -0.77 0.00 0.00 57.85 55.97 2g3i n ARG 259 Cb 0.30 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 2g3i n ARG 259 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2g3i h LEU 261 N 10.23 0.75 0.00 0.00 3.38 -1.21 -3.47 115.31 124.99 2g3i h LEU 261 Ca -0.24 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2g3i h LEU 261 Cb 1.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2g3i h LEU 261 CO 0.98 1.01 0.00 0.61 0.09 0.00 0.00 178.44 181.14 2g3i n GLY 262 N -0.09 -1.73 2.97 0.83 0.00 -1.26 -2.55 105.19 103.35 2g3i n GLY 262 Ca -0.01 -1.20 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 2g3i n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g3i s ILE 263 N -2.72 0.88 -0.20 -0.61 1.01 -0.92 -1.88 121.20 116.76 2g3i s ILE 263 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 2g3i s ILE 263 Cb 0.00 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2g3i s ILE 263 CO 0.00 0.30 -0.10 -0.89 0.00 0.00 0.00 174.94 174.25 2g3i s THR 264 N 0.75 2.90 0.31 2.92 2.01 0.10 -0.20 115.64 124.43 2g3i s THR 264 Ca -0.13 -0.66 -0.25 0.00 0.31 0.00 0.00 61.69 60.96 2g3i s THR 264 Cb -0.15 -2.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.97 2g3i s THR 264 CO 0.02 0.47 0.93 0.68 -0.69 0.00 0.00 174.62 176.03 2g3i s VAL 265 N 1.37 4.24 -1.39 3.82 -7.23 -0.33 -0.54 120.40 120.34 2g3i s VAL 265 Ca 0.05 1.78 -0.08 0.00 -1.81 0.00 0.00 61.98 61.92 2g3i s VAL 265 Cb -0.14 -4.00 0.08 0.00 0.56 0.00 0.00 36.38 32.88 2g3i s VAL 265 CO -0.06 0.14 2.41 1.87 -0.31 0.00 0.00 175.10 179.15 2g3i n TRP 266 N 0.57 2.67 0.00 2.82 -0.00 -0.35 -2.15 117.44 121.01 2g3i n TRP 266 Ca 0.02 -2.89 0.00 0.00 -0.00 0.00 0.00 57.50 54.63 2g3i n TRP 266 Cb 0.50 -2.04 0.00 0.00 -0.00 0.00 0.00 31.31 29.77 2g3i n TRP 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2g3i n GLY 267 N 2.47 4.29 0.07 5.87 0.00 -1.26 -4.71 105.19 111.91 2g3i n GLY 267 Ca 0.61 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 2g3i n GLY 267 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2g3i h VAL 268 N 1.25 0.22 -2.89 1.61 2.07 -1.89 -3.44 116.25 113.18 2g3i h VAL 268 Ca 0.00 -1.21 -0.63 0.00 0.82 0.00 0.00 66.70 65.69 2g3i h VAL 268 Cb 0.00 0.46 -0.15 0.00 -1.52 0.00 0.00 31.29 30.08 2g3i h VAL 268 CO 0.00 0.07 -0.75 -0.13 0.02 0.00 0.00 177.57 176.79 2g3i s ARG 269 N -1.97 1.89 0.31 1.57 0.52 -1.26 -3.88 118.95 116.12 2g3i s ARG 269 Ca -0.10 -1.41 0.06 0.00 -0.52 0.00 0.00 55.73 53.76 2g3i s ARG 269 Cb 0.01 -2.03 0.83 0.00 0.52 0.00 0.00 34.95 34.29 2g3i s ARG 269 CO 0.20 0.41 1.67 -0.44 0.02 0.00 0.00 175.30 177.16 2g3i h ASP 270 N 2.82 0.29 0.09 0.23 3.32 -1.21 0.18 116.42 122.13 2g3i h ASP 270 Ca -0.46 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 2g3i h ASP 270 Cb 1.22 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 2g3i h ASP 270 CO 0.54 -0.08 -0.04 0.71 -1.72 0.00 0.00 179.24 178.64 2g3i h THR 271 N 0.33 0.72 -0.00 0.35 1.35 -1.87 -2.19 112.91 111.60 2g3i h THR 271 Ca 0.61 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 66.30 2g3i h THR 271 Cb 1.26 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2g3i h THR 271 CO -0.59 0.04 -0.10 0.47 -0.25 0.00 0.00 175.52 175.09 2g3i n ASP 272 N -4.03 0.23 -4.78 5.36 8.00 0.61 -4.88 116.55 117.05 2g3i n ASP 272 Ca -0.03 -0.12 -0.37 0.00 0.71 0.00 0.00 54.79 54.99 2g3i n ASP 272 Cb 0.13 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 2g3i n ASP 272 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2g3i s SER 273 N -2.72 6.85 0.60 -2.24 0.15 -0.82 -4.90 113.70 110.62 2g3i s SER 273 Ca 0.22 2.08 0.30 0.00 0.70 0.00 0.00 55.95 59.25 2g3i s SER 273 Cb 0.19 -2.59 1.74 0.00 -1.71 0.00 0.00 66.02 63.65 2g3i s SER 273 CO 0.52 -0.43 2.15 4.11 1.20 0.00 0.00 173.24 180.79 2g3i h TRP 274 N 2.76 0.00 -2.17 3.44 5.08 -1.89 -2.77 115.95 120.39 2g3i h TRP 274 Ca -0.48 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 58.88 2g3i h TRP 274 Cb 1.21 0.00 -0.41 0.00 -3.00 0.00 0.00 29.16 26.97 2g3i h TRP 274 CO 0.58 0.00 -0.53 0.00 -1.28 0.00 0.00 178.44 177.21 2g3i n ALA 275 N -2.30 4.86 0.25 0.11 0.00 -1.26 -4.90 120.51 117.26 2g3i n ALA 275 Ca -0.00 -4.64 0.09 0.00 0.00 0.00 0.00 53.44 48.89 2g3i n ALA 275 Cb 0.24 -0.81 0.65 0.00 0.00 0.00 0.00 19.45 19.54 2g3i n ALA 275 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2g3i h SER 276 N 3.00 0.00 0.84 0.00 4.64 -1.67 -0.78 113.55 119.57 2g3i h SER 276 Ca 0.19 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.49 2g3i h SER 276 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2g3i h SER 276 CO 0.85 0.10 -0.09 1.23 -0.87 0.00 0.00 176.83 178.05 2g3i h GLY 277 N 0.40 0.00 1.31 -0.77 0.00 -1.89 -2.54 103.07 99.57 2g3i h GLY 277 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2g3i h GLY 277 CO 0.01 0.00 -0.13 1.22 0.00 0.00 0.00 176.54 177.64 2g3i n ASP 278 N -3.27 0.29 -3.87 0.19 8.00 -0.30 -4.99 116.55 112.60 2g3i n ASP 278 Ca -0.00 -0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.04 2g3i n ASP 278 Cb 0.32 -0.16 0.01 0.00 -0.02 0.00 0.00 41.12 41.27 2g3i n ASP 278 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2g3i n THR 279 N -1.24 -1.79 -0.47 -3.53 -2.24 -0.96 -1.96 114.28 102.09 2g3i n THR 279 Ca 0.11 -0.33 0.10 0.00 -2.27 0.00 0.00 64.05 61.66 2g3i n THR 279 Cb 0.30 -1.53 0.34 0.00 -2.10 0.00 0.00 70.33 67.34 2g3i n THR 279 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2g3i n PRO 280 N -3.40 3.45 -2.34 -0.78 -0.04 -1.26 -3.94 135.00 126.69 2g3i n PRO 280 Ca -0.10 -2.73 -0.07 0.00 -0.04 0.00 0.00 63.50 60.56 2g3i n PRO 280 Cb 0.39 -1.82 -0.01 0.00 -0.04 0.00 0.00 33.50 32.02 2g3i n PRO 280 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2g3i n LEU 281 N 1.20 0.00 -0.33 1.53 4.77 -1.26 -1.85 117.00 121.06 2g3i n LEU 281 Ca 0.25 -0.74 0.11 0.00 -0.03 0.00 0.00 56.01 55.60 2g3i n LEU 281 Cb 0.81 0.03 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 2g3i n LEU 281 CO 0.22 -0.23 0.32 0.18 -1.33 0.00 0.00 177.39 176.54 2g3i n LEU 282 N 0.00 1.55 -4.12 2.23 4.77 -1.26 -4.88 117.00 115.28 2g3i n LEU 282 Ca -0.03 -0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 55.18 2g3i n LEU 282 Cb 0.16 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2g3i n LEU 282 CO 0.09 0.30 -0.47 -0.36 -1.33 0.00 0.00 177.39 175.63 2g3i s PHE 283 N -2.61 1.21 0.78 -1.77 0.40 -1.25 -1.70 117.98 113.04 2g3i s PHE 283 Ca 0.17 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 2g3i s PHE 283 Cb 0.18 -0.75 0.06 0.00 0.51 0.00 0.00 43.02 43.02 2g3i s PHE 283 CO 0.62 0.01 1.10 -0.80 0.70 0.00 0.00 175.22 176.85 2g3i s ASN 284 N -0.78 4.67 0.46 1.36 0.01 0.73 -0.85 114.94 120.54 2g3i s ASN 284 Ca 0.03 1.27 0.21 0.00 -0.71 0.00 0.00 52.86 53.65 2g3i s ASN 284 Cb -0.07 -2.01 1.19 0.00 0.41 0.00 0.00 41.25 40.77 2g3i s ASN 284 CO 0.00 -1.85 1.91 1.23 -1.51 0.00 0.00 177.10 176.88 2g3i h GLY 285 N -1.01 0.53 -0.28 0.66 0.00 -1.92 0.67 103.07 101.73 2g3i h GLY 285 Ca -0.47 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2g3i h GLY 285 CO 0.60 0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.25 2g3i n ASP 286 N -4.44 0.83 0.00 0.19 5.68 -1.26 -4.91 116.55 112.64 2g3i n ASP 286 Ca 0.16 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 2g3i n ASP 286 Cb 0.67 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 2g3i n ASP 286 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2g3i n GLY 287 N 0.88 0.93 3.79 6.12 0.00 0.23 -5.04 105.19 112.11 2g3i n GLY 287 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2g3i n GLY 287 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g3i s SER 288 N -3.01 6.68 0.18 1.61 1.04 -1.26 -4.72 113.70 114.22 2g3i s SER 288 Ca 0.00 1.92 -0.30 0.00 0.48 0.00 0.00 55.95 58.05 2g3i s SER 288 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 2g3i s SER 288 CO 0.00 -0.55 1.31 -0.54 0.98 0.00 0.00 173.24 174.44 2g3i s LYS 289 N -2.85 4.39 0.62 4.02 1.02 -1.26 -0.19 119.74 125.48 2g3i s LYS 289 Ca 0.61 2.03 -0.08 0.00 0.02 0.00 0.00 55.97 58.56 2g3i s LYS 289 Cb -0.17 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.93 2g3i s LYS 289 CO 0.22 -0.26 0.97 0.15 -0.92 0.00 0.00 175.35 175.51 2g3i s LYS 290 N 0.06 3.06 0.28 1.68 1.02 -0.69 -4.86 119.74 120.29 2g3i s LYS 290 Ca 0.57 0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.85 2g3i s LYS 290 Cb -0.36 -2.18 0.66 0.00 -0.52 0.00 0.00 37.83 35.43 2g3i s LYS 290 CO 0.37 -0.74 1.71 0.00 -0.92 0.00 0.00 175.35 175.77 2g3i h ALA 291 N -0.31 1.34 -0.75 5.17 0.00 -1.92 -0.64 119.26 122.16 2g3i h ALA 291 Ca -0.45 0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.73 2g3i h ALA 291 Cb 1.24 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 2g3i h ALA 291 CO 0.62 -0.30 0.49 0.00 0.00 0.00 0.00 179.25 180.06 2g3i h ALA 292 N 1.67 1.95 -0.28 0.00 0.00 -1.90 -1.99 119.26 118.71 2g3i h ALA 292 Ca 0.52 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.49 2g3i h ALA 292 Cb 0.95 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 2g3i h ALA 292 CO -0.50 -0.13 -0.11 -0.92 0.00 0.00 0.00 179.25 177.59 2g3i h TYR 293 N 0.54 -0.27 -0.53 0.00 5.03 -1.29 0.19 116.97 120.64 2g3i h TYR 293 Ca 0.36 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.69 2g3i h TYR 293 Cb 0.64 0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.05 2g3i h TYR 293 CO -0.00 -0.18 0.30 1.15 -1.32 0.00 0.00 178.16 178.11 2g3i h THR 294 N -0.07 1.17 -0.50 1.81 2.02 -1.41 -0.65 112.91 115.29 2g3i h THR 294 Ca 0.14 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2g3i h THR 294 Cb 0.28 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2g3i h THR 294 CO -0.32 0.18 0.26 0.00 0.37 0.00 0.00 175.52 176.01 2g3i h ALA 295 N 1.13 0.64 -0.20 6.16 0.00 -1.10 0.10 119.26 125.99 2g3i h ALA 295 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2g3i h ALA 295 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2g3i h ALA 295 CO -0.03 -0.07 0.05 0.28 0.00 0.00 0.00 179.25 179.48 2g3i h VAL 296 N 0.52 1.20 -0.77 0.00 2.07 -0.62 -2.17 116.25 116.48 2g3i h VAL 296 Ca 0.22 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2g3i h VAL 296 Cb 0.11 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2g3i h VAL 296 CO -0.14 0.20 0.50 0.25 0.02 0.00 0.00 177.57 178.40 2g3i h LEU 297 N 0.15 0.90 -0.65 2.57 5.85 -0.82 -0.89 115.31 122.42 2g3i h LEU 297 Ca 0.06 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2g3i h LEU 297 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2g3i h LEU 297 CO 0.00 0.66 0.20 0.78 -0.34 0.00 0.00 178.44 179.74 2g3i h ASN 298 N 1.05 0.95 -0.30 1.25 2.35 -0.93 -0.91 115.58 119.05 2g3i h ASN 298 Ca 0.28 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2g3i h ASN 298 Cb -0.10 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 2g3i h ASN 298 CO -0.06 0.91 0.17 0.00 -1.65 0.00 0.00 177.43 176.80 2g3i h ALA 299 N 1.08 0.38 -0.70 -0.83 0.00 -1.02 0.31 119.26 118.48 2g3i h ALA 299 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2g3i h ALA 299 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2g3i h ALA 299 CO -0.01 -0.10 0.37 -0.07 0.00 0.00 0.00 179.25 179.45 2g3i h LEU 300 N 0.37 0.89 -0.99 0.00 3.38 -0.97 -2.30 115.31 115.69 2g3i h LEU 300 Ca 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2g3i h LEU 300 Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2g3i h LEU 300 CO -0.02 0.74 -0.32 0.78 0.09 0.00 0.00 178.44 179.70 2g3i h ASN 301 N 0.97 0.00 0.00 -0.43 2.35 -1.02 -2.74 115.58 114.70 2g3i h ASN 301 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2g3i h ASN 301 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 2g3i h ASN 301 CO -0.04 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.68 2g3i n GLY 302 N 0.20 -0.77 0.00 2.83 0.00 0.11 -5.08 105.19 102.49 2g3i n GLY 302 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2g3i n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93