#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3j n GLU 2 N 0.00 0.00 0.04 0.00 4.07 -1.26 -4.07 120.64 119.42 2g3j n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2g3j n GLU 2 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 2g3j n GLU 2 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 2g3j h SER 3 N 0.08 0.00 -2.32 4.31 0.02 -1.99 -3.46 113.55 110.19 2g3j h SER 3 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 2g3j h SER 3 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2g3j h SER 3 CO 0.00 0.55 -0.75 0.42 -1.14 0.00 0.00 176.83 175.91 2g3j s THR 4 N -2.94 2.37 0.07 -2.27 -4.23 -1.26 -5.06 115.64 102.32 2g3j s THR 4 Ca -0.02 -2.37 -0.24 0.00 -1.18 0.00 0.00 61.69 57.87 2g3j s THR 4 Cb 0.09 -2.29 -0.16 0.00 1.34 0.00 0.00 72.50 71.48 2g3j s THR 4 CO 0.81 -0.41 1.64 -0.07 -0.54 0.00 0.00 174.62 176.05 2g3j h LEU 5 N 2.29 -0.01 -0.83 4.79 3.38 -1.88 -1.94 115.31 121.12 2g3j h LEU 5 Ca -0.40 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 2g3j h LEU 5 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2g3j h LEU 5 CO 0.61 0.09 0.45 1.23 0.09 0.00 0.00 178.44 180.92 2g3j h GLY 6 N -0.11 1.23 1.02 0.83 0.00 -0.83 -1.43 103.07 103.79 2g3j h GLY 6 Ca -0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2g3j h GLY 6 CO 0.00 0.54 0.08 0.00 0.00 0.00 0.00 176.54 177.16 2g3j h ALA 7 N 1.24 0.76 -0.26 3.60 0.00 -1.78 -1.41 119.26 121.41 2g3j h ALA 7 Ca 0.29 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2g3j h ALA 7 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2g3j h ALA 7 CO -0.05 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 2g3j h ALA 8 N 1.00 0.35 -0.77 0.00 0.00 -1.07 -1.97 119.26 116.81 2g3j h ALA 8 Ca 0.17 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2g3j h ALA 8 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2g3j h ALA 8 CO 0.01 0.12 0.51 0.00 0.00 0.00 0.00 179.25 179.89 2g3j h ALA 9 N 0.79 1.51 -0.45 0.00 0.00 -1.27 -2.49 119.26 117.35 2g3j h ALA 9 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2g3j h ALA 9 Cb 0.48 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2g3j h ALA 9 CO 0.02 0.42 0.24 0.00 0.00 0.00 0.00 179.25 179.93 2g3j h ALA 10 N 1.54 1.58 -1.01 0.00 0.00 -0.52 -1.28 119.26 119.58 2g3j h ALA 10 Ca 0.30 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.37 2g3j h ALA 10 Cb -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 2g3j h ALA 10 CO -0.08 0.35 0.64 1.96 0.00 0.00 0.00 179.25 182.12 2g3j h GLN 11 N 0.62 0.45 -0.55 0.00 4.20 -0.94 -1.18 115.11 117.71 2g3j h GLN 11 Ca 0.16 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.62 2g3j h GLN 11 Cb 0.02 -0.10 -0.13 0.00 0.30 0.00 0.00 27.48 27.57 2g3j h GLN 11 CO -0.03 0.30 0.16 -1.13 -0.67 0.00 0.00 178.83 177.46 2g3j n SER 12 N -4.64 3.53 0.00 1.46 3.41 -0.75 -4.94 113.62 111.69 2g3j n SER 12 Ca 0.24 -3.47 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 2g3j n SER 12 Cb 0.79 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2g3j n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g3j n GLY 13 N -0.80 0.63 3.77 5.00 0.00 -0.45 -5.03 105.19 108.31 2g3j n GLY 13 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 2g3j n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g3j s ARG 14 N -0.09 2.18 0.26 1.61 0.52 -0.56 -4.96 118.95 117.92 2g3j s ARG 14 Ca 0.00 -2.25 0.10 0.00 -0.52 0.00 0.00 55.73 53.06 2g3j s ARG 14 Cb 0.00 -1.68 -0.05 0.00 0.52 0.00 0.00 34.95 33.74 2g3j s ARG 14 CO 0.00 -0.35 -0.09 1.52 0.02 0.00 0.00 175.30 176.40 2g3j s TYR 15 N -2.82 2.53 -0.18 -0.53 -0.85 -1.08 -2.30 117.35 112.13 2g3j s TYR 15 Ca 0.17 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 2g3j s TYR 15 Cb 0.02 -1.13 0.04 0.00 0.38 0.00 0.00 41.96 41.27 2g3j s TYR 15 CO 0.10 0.64 -0.10 0.12 -1.52 0.00 0.00 175.55 174.79 2g3j s PHE 16 N -2.32 2.19 0.46 -3.49 2.19 -1.26 -1.94 117.98 113.81 2g3j s PHE 16 Ca 0.30 -1.37 0.06 0.00 0.33 0.00 0.00 56.93 56.25 2g3j s PHE 16 Cb -0.06 -1.56 -0.03 0.00 -1.31 0.00 0.00 43.02 40.06 2g3j s PHE 16 CO 0.17 -0.69 0.17 0.20 1.83 0.00 0.00 175.22 176.90 2g3j s GLY 17 N 1.47 2.50 0.07 13.12 0.00 0.26 -1.92 107.32 122.82 2g3j s GLY 17 Ca 0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 44.72 43.05 2g3j s GLY 17 CO -0.09 -2.00 0.08 -1.08 0.00 0.00 0.00 173.10 170.01 2g3j s THR 18 N -2.70 0.18 0.14 0.90 -1.32 -0.43 -1.63 115.64 110.78 2g3j s THR 18 Ca 0.32 -1.50 -0.28 0.00 -1.21 0.00 0.00 61.69 59.02 2g3j s THR 18 Cb 0.03 -1.42 -0.07 0.00 -1.51 0.00 0.00 72.50 69.53 2g3j s THR 18 CO 0.18 -0.83 0.89 0.00 -2.21 0.00 0.00 174.62 172.65 2g3j s ALA 19 N -3.87 3.32 -0.09 11.08 0.00 -1.00 -1.01 121.76 130.19 2g3j s ALA 19 Ca 0.06 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.56 2g3j s ALA 19 Cb 0.06 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 2g3j s ALA 19 CO -0.10 0.09 -0.20 0.42 0.00 0.00 0.00 175.76 175.97 2g3j s ILE 20 N -0.45 2.47 -0.28 0.00 -1.09 0.12 -4.23 121.20 117.73 2g3j s ILE 20 Ca 0.42 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.87 2g3j s ILE 20 Cb -0.23 -1.97 -0.01 0.00 -1.58 0.00 0.00 42.46 38.67 2g3j s ILE 20 CO 0.29 0.56 0.11 0.00 -1.23 0.00 0.00 174.94 174.66 2g3j s ALA 21 N 0.05 3.19 0.29 9.38 0.00 -1.26 -0.88 121.76 132.53 2g3j s ALA 21 Ca -0.08 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2g3j s ALA 21 Cb -0.15 -2.22 0.66 0.00 0.00 0.00 0.00 23.12 21.41 2g3j s ALA 21 CO 0.05 -0.74 1.78 0.66 0.00 0.00 0.00 175.76 177.52 2g3j h SER 22 N 8.28 0.74 0.00 0.00 4.64 -1.98 -1.75 113.55 123.49 2g3j h SER 22 Ca -0.34 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2g3j h SER 22 Cb 1.15 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2g3j h SER 22 CO 0.60 0.30 0.17 0.61 -0.87 0.00 0.00 176.83 177.63 2g3j n GLY 23 N -1.33 -0.45 0.37 -0.77 0.00 -1.26 -1.65 105.19 100.11 2g3j n GLY 23 Ca 0.21 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.34 2g3j n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g3j n LYS 24 N -1.56 1.59 0.07 1.61 5.02 -0.66 -4.63 118.16 119.60 2g3j n LYS 24 Ca -0.00 -0.88 0.09 0.00 -2.02 0.00 0.00 58.31 55.49 2g3j n LYS 24 Cb 0.17 -1.20 0.38 0.00 -0.02 0.00 0.00 35.03 34.36 2g3j n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2g3j n LEU 25 N 0.09 0.32 -0.59 -0.35 4.77 -0.66 -1.86 117.00 118.72 2g3j n LEU 25 Ca 0.06 0.59 0.05 0.00 -0.03 0.00 0.00 56.01 56.68 2g3j n LEU 25 Cb 0.29 -0.56 0.14 0.00 -2.33 0.00 0.00 43.42 40.96 2g3j n LEU 25 CO 0.14 -0.47 0.62 0.61 -1.33 0.00 0.00 177.39 176.96 2g3j n GLY 26 N -0.29 0.51 3.33 -0.72 0.00 -1.26 -4.79 105.19 101.97 2g3j n GLY 26 Ca 0.02 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 2g3j n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2g3j s ASP 27 N -0.99 5.48 0.40 1.61 -1.08 -0.78 -5.00 116.67 116.31 2g3j s ASP 27 Ca 0.21 -1.01 0.20 0.00 -0.52 0.00 0.00 52.55 51.44 2g3j s ASP 27 Cb 0.11 -1.94 0.79 0.00 -1.46 0.00 0.00 42.92 40.42 2g3j s ASP 27 CO 0.14 -0.33 1.78 0.77 0.52 0.00 0.00 175.17 178.05 2g3j h SER 28 N 8.32 0.00 -0.43 -0.34 4.64 -1.87 -2.29 113.55 121.58 2g3j h SER 28 Ca -0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.94 2g3j h SER 28 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2g3j h SER 28 CO 0.63 0.32 -0.19 0.00 -0.87 0.00 0.00 176.83 176.72 2g3j h ALA 29 N 1.68 0.78 0.16 5.18 0.00 -1.95 -0.66 119.26 124.45 2g3j h ALA 29 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2g3j h ALA 29 Cb 0.82 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2g3j h ALA 29 CO 0.04 0.66 -0.08 -0.92 0.00 0.00 0.00 179.25 178.95 2g3j h TYR 30 N 0.81 -0.20 0.00 0.00 3.20 -1.75 -3.08 116.97 115.95 2g3j h TYR 30 Ca 0.11 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2g3j h TYR 30 Cb 0.74 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2g3j h TYR 30 CO 0.05 -0.01 -0.35 1.79 -1.64 0.00 0.00 178.16 177.99 2g3j h THR 31 N -0.36 0.81 0.35 1.81 1.35 -1.43 -1.25 112.91 114.19 2g3j h THR 31 Ca -0.02 -1.49 -0.02 0.00 -0.55 0.00 0.00 66.41 64.33 2g3j h THR 31 Cb 0.28 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2g3j h THR 31 CO 0.04 0.34 -0.17 0.74 -0.25 0.00 0.00 175.52 176.22 2g3j h THR 32 N 0.00 0.63 0.26 6.82 2.02 -1.13 -0.09 112.91 121.41 2g3j h THR 32 Ca -0.00 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2g3j h THR 32 Cb 0.91 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2g3j h THR 32 CO 0.05 0.09 -0.17 0.40 0.37 0.00 0.00 175.52 176.25 2g3j h ILE 33 N -0.76 0.63 -0.16 3.11 2.04 -1.55 -1.11 117.51 119.71 2g3j h ILE 33 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2g3j h ILE 33 Cb 0.51 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2g3j h ILE 33 CO 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 178.15 178.09 2g3j h ALA 34 N 0.29 -0.03 -0.47 1.87 0.00 -1.28 -0.21 119.26 119.43 2g3j h ALA 34 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2g3j h ALA 34 Cb 0.36 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2g3j h ALA 34 CO 0.01 -0.58 0.31 1.03 0.00 0.00 0.00 179.25 180.02 2g3j h SER 35 N -0.16 0.54 -0.29 0.00 0.87 -1.00 -3.01 113.55 110.49 2g3j h SER 35 Ca 0.11 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2g3j h SER 35 Cb 0.31 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2g3j h SER 35 CO -0.26 0.39 0.01 -0.09 -0.53 0.00 0.00 176.83 176.35 2g3j h ARG 36 N 0.64 0.51 0.03 2.24 2.43 -0.58 -3.38 114.38 116.27 2g3j h ARG 36 Ca 0.17 -0.16 -0.31 0.00 -0.81 0.00 0.00 59.98 58.88 2g3j h ARG 36 Cb -0.07 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 2g3j h ARG 36 CO -0.04 0.65 -1.77 0.39 -1.51 0.00 0.00 179.97 177.70 2g3j n GLU 37 N -4.59 0.66 -4.46 0.20 -0.58 -0.15 -4.85 120.64 106.87 2g3j n GLU 37 Ca -0.03 0.29 -0.33 0.00 -0.42 0.00 0.00 57.16 56.68 2g3j n GLU 37 Cb 0.25 -1.78 -0.10 0.00 -0.57 0.00 0.00 31.44 29.24 2g3j n GLU 37 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2g3j s PHE 38 N -2.59 2.95 -0.49 -0.32 0.08 -1.14 -0.22 117.98 116.26 2g3j s PHE 38 Ca -0.09 0.02 0.14 0.00 0.12 0.00 0.00 56.93 57.12 2g3j s PHE 38 Cb 0.08 -1.66 0.41 0.00 -0.57 0.00 0.00 43.02 41.28 2g3j s PHE 38 CO 0.81 0.39 1.33 0.27 -0.10 0.00 0.00 175.22 177.92 2g3j n ASN 39 N 1.73 3.39 -3.80 1.36 0.23 -0.81 -4.83 115.26 112.53 2g3j n ASN 39 Ca -0.16 -2.56 -0.13 0.00 -0.53 0.00 0.00 54.58 51.21 2g3j n ASN 39 Cb 0.53 -0.39 -0.12 0.00 -2.08 0.00 0.00 39.78 37.71 2g3j n ASN 39 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2g3j s MET 40 N -2.00 0.25 -0.06 -3.83 0.00 -1.23 -2.13 119.30 110.30 2g3j s MET 40 Ca 0.33 0.28 0.03 0.00 0.00 0.00 0.00 55.69 56.32 2g3j s MET 40 Cb 0.24 0.12 0.01 0.00 0.00 0.00 0.00 34.83 35.20 2g3j s MET 40 CO 0.11 -0.03 -0.13 0.08 0.00 0.00 0.00 175.02 175.05 2g3j s VAL 41 N 0.08 1.16 0.04 10.11 1.01 -0.24 -1.31 120.40 131.25 2g3j s VAL 41 Ca -0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 2g3j s VAL 41 Cb -0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2g3j s VAL 41 CO 0.00 0.36 -0.06 -0.89 0.00 0.00 0.00 175.10 174.51 2g3j s THR 42 N 0.51 3.65 -0.21 3.92 2.01 -0.18 -1.20 115.64 124.15 2g3j s THR 42 Ca -0.12 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.75 2g3j s THR 42 Cb -0.14 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 2g3j s THR 42 CO 0.03 0.28 0.60 0.00 -0.69 0.00 0.00 174.62 174.85 2g3j s ALA 43 N -1.10 3.55 0.41 7.40 0.00 -1.26 0.11 121.76 130.87 2g3j s ALA 43 Ca 0.20 -0.33 0.12 0.00 0.00 0.00 0.00 51.96 51.95 2g3j s ALA 43 Cb -0.11 -2.94 0.88 0.00 0.00 0.00 0.00 23.12 20.95 2g3j s ALA 43 CO 0.11 -0.57 1.94 1.49 0.00 0.00 0.00 175.76 178.73 2g3j h GLU 44 N 7.54 0.08 0.00 0.00 4.81 -1.35 -3.39 114.58 122.27 2g3j h GLU 44 Ca -0.31 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2g3j h GLU 44 Cb 1.14 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2g3j h GLU 44 CO 0.76 0.28 0.00 0.09 -0.73 0.00 0.00 179.01 179.41 2g3j n ASN 45 N -4.27 0.00 0.00 1.04 3.02 -1.26 -4.95 115.26 108.83 2g3j n ASN 45 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 2g3j n ASN 45 Cb 0.28 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 39.99 2g3j n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2g3j n GLU 46 N -0.15 0.12 -0.10 3.52 4.71 -1.26 -2.33 120.64 125.14 2g3j n GLU 46 Ca 0.00 0.08 0.04 0.00 -0.01 0.00 0.00 57.16 57.27 2g3j n GLU 46 Cb 0.00 -1.50 0.10 0.00 -1.01 0.00 0.00 31.44 29.03 2g3j n GLU 46 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 2g3j n MET 47 N -1.43 2.44 -0.72 3.49 2.81 -1.25 -3.87 117.12 118.60 2g3j n MET 47 Ca 0.08 -1.73 -0.30 0.00 -1.81 0.00 0.00 57.70 53.93 2g3j n MET 47 Cb 0.25 -1.18 0.18 0.00 -0.71 0.00 0.00 33.22 31.76 2g3j n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2g3j s LYS 48 N -0.94 0.58 0.14 0.03 1.02 -0.98 -3.01 119.74 116.56 2g3j s LYS 48 Ca 0.15 1.30 -0.17 0.00 0.02 0.00 0.00 55.97 57.27 2g3j s LYS 48 Cb 0.08 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.69 2g3j s LYS 48 CO 0.11 -2.85 1.73 0.82 -0.92 0.00 0.00 175.35 174.24 2g3j h ILE 49 N -2.02 1.16 0.00 2.17 2.04 -1.72 -2.25 117.51 116.89 2g3j h ILE 49 Ca -0.48 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2g3j h ILE 49 Cb 1.28 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2g3j h ILE 49 CO 0.45 0.16 0.00 -2.24 0.00 0.00 0.00 178.15 176.53 2g3j h ASP 50 N 0.47 0.00 0.97 1.72 3.04 -1.67 -0.11 116.42 120.85 2g3j h ASP 50 Ca 0.13 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.79 2g3j h ASP 50 Cb 0.09 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.35 2g3j h ASP 50 CO -0.02 0.00 -1.09 0.00 -2.04 0.00 0.00 179.24 176.09 2g3j h ALA 51 N 2.20 0.65 0.00 4.15 0.00 -1.70 -3.31 119.26 121.25 2g3j h ALA 51 Ca 0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 2g3j h ALA 51 Cb 0.34 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2g3j h ALA 51 CO 0.00 0.76 -2.03 0.25 0.00 0.00 0.00 179.25 178.23 2g3j n THR 52 N -2.98 0.96 -3.21 0.00 -2.24 -1.06 -4.58 114.28 101.17 2g3j n THR 52 Ca -0.05 -0.63 -0.23 0.00 -2.27 0.00 0.00 64.05 60.86 2g3j n THR 52 Cb 0.78 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 2g3j n THR 52 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2g3j n GLU 53 N -2.52 1.36 0.25 -0.78 2.13 -0.08 -0.99 120.64 120.01 2g3j n GLU 53 Ca -0.23 -3.69 0.15 0.00 0.66 0.00 0.00 57.16 54.04 2g3j n GLU 53 Cb 0.95 -1.63 0.45 0.00 0.27 0.00 0.00 31.44 31.48 2g3j n GLU 53 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2g3j h PRO 54 N 3.71 0.00 -5.56 5.31 0.13 -1.73 -3.42 132.00 130.44 2g3j h PRO 54 Ca 0.11 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.57 2g3j h PRO 54 Cb 0.82 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.63 2g3j h PRO 54 CO 0.58 0.00 -0.88 -1.14 -0.23 0.00 0.00 178.00 176.33 2g3j s GLN 55 N -3.46 2.72 -0.25 0.86 0.74 -1.26 -4.84 119.66 114.19 2g3j s GLN 55 Ca 0.04 -0.85 -0.36 0.00 0.05 0.00 0.00 55.36 54.23 2g3j s GLN 55 Cb 0.07 -2.16 -0.13 0.00 1.10 0.00 0.00 33.01 31.89 2g3j s GLN 55 CO 0.60 0.25 1.97 -2.13 -0.55 0.00 0.00 175.29 175.43 2g3j n ARG 56 N 3.30 1.46 -0.15 1.67 0.63 -1.26 -0.95 116.66 121.35 2g3j n ARG 56 Ca -0.19 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 2g3j n ARG 56 Cb 0.53 -2.43 0.00 0.00 0.45 0.00 0.00 32.46 31.00 2g3j n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2g3j n GLY 57 N 5.18 1.56 3.23 5.14 0.00 -1.26 -5.02 105.19 114.01 2g3j n GLY 57 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 2g3j n GLY 57 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g3j s GLN 58 N -0.40 3.14 0.25 1.61 -1.52 -0.13 -5.12 119.66 117.49 2g3j s GLN 58 Ca 0.00 -0.79 0.02 0.00 -1.95 0.00 0.00 55.36 52.64 2g3j s GLN 58 Cb 0.00 -2.56 -0.03 0.00 -0.22 0.00 0.00 33.01 30.19 2g3j s GLN 58 CO 0.00 -0.01 0.42 -0.06 -0.25 0.00 0.00 175.29 175.39 2g3j s PHE 59 N 0.84 3.48 -0.20 0.91 0.08 -1.26 -3.98 117.98 117.85 2g3j s PHE 59 Ca -0.05 0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.16 2g3j s PHE 59 Cb -0.15 -1.75 0.08 0.00 -0.57 0.00 0.00 43.02 40.62 2g3j s PHE 59 CO -0.01 0.34 0.13 1.21 -0.10 0.00 0.00 175.22 176.79 2g3j s ASN 60 N -3.70 2.33 0.00 1.36 3.84 -0.16 -4.99 114.94 113.62 2g3j s ASN 60 Ca 0.37 -0.66 0.13 0.00 0.21 0.00 0.00 52.86 52.91 2g3j s ASN 60 Cb -0.10 -0.10 0.31 0.00 -0.55 0.00 0.00 41.25 40.81 2g3j s ASN 60 CO 0.31 -0.36 1.23 0.49 -2.79 0.00 0.00 177.10 175.97 2g3j n PHE 61 N 5.28 0.44 0.43 0.43 3.72 -1.26 -4.12 117.46 122.38 2g3j n PHE 61 Ca -0.06 -0.41 -0.18 0.00 -0.05 0.00 0.00 57.45 56.75 2g3j n PHE 61 Cb 0.48 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.91 2g3j n PHE 61 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2g3j h SER 62 N 2.41 -1.12 -0.80 4.37 0.02 -1.95 0.77 113.55 117.24 2g3j h SER 62 Ca 0.00 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2g3j h SER 62 Cb 0.73 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 2g3j h SER 62 CO 0.00 -0.72 0.44 0.00 -1.14 0.00 0.00 176.83 175.41 2g3j h ALA 63 N -1.29 1.02 -0.18 3.77 0.00 -1.90 -1.09 119.26 119.59 2g3j h ALA 63 Ca -0.11 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2g3j h ALA 63 Cb 0.91 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2g3j h ALA 63 CO 0.13 0.53 -0.35 0.78 0.00 0.00 0.00 179.25 180.34 2g3j h GLY 64 N 1.10 -0.48 2.00 0.00 0.00 -1.61 -2.60 103.07 101.49 2g3j h GLY 64 Ca 0.28 0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.99 2g3j h GLY 64 CO -0.05 -0.22 -0.25 -0.55 0.00 0.00 0.00 176.54 175.48 2g3j h ASP 65 N -0.40 0.00 -0.18 0.19 3.32 0.96 -0.41 116.42 119.91 2g3j h ASP 65 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 2g3j h ASP 65 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2g3j h ASP 65 CO -0.40 0.25 -0.44 -0.09 -1.72 0.00 0.00 179.24 176.84 2g3j h ARG 66 N 0.00 0.73 -0.05 3.56 2.43 -0.88 0.26 114.38 120.43 2g3j h ARG 66 Ca -0.00 -0.40 -0.10 0.00 -0.81 0.00 0.00 59.98 58.67 2g3j h ARG 66 Cb 0.58 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2g3j h ARG 66 CO 0.03 1.02 -0.35 0.28 -1.51 0.00 0.00 179.97 179.44 2g3j h VAL 67 N 0.59 1.44 -0.43 0.20 2.07 -1.05 -2.10 116.25 116.97 2g3j h VAL 67 Ca 0.04 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 65.82 2g3j h VAL 67 Cb 0.99 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 33.12 2g3j h VAL 67 CO 0.09 0.52 0.11 0.22 0.02 0.00 0.00 177.57 178.53 2g3j h TYR 68 N -0.19 0.18 -0.39 1.57 3.20 -0.99 -1.97 116.97 118.39 2g3j h TYR 68 Ca -0.03 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2g3j h TYR 68 Cb 1.02 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2g3j h TYR 68 CO 0.14 0.04 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.57 2g3j h ASN 69 N 0.25 0.77 -0.57 -2.11 2.35 -0.51 -2.30 115.58 113.46 2g3j h ASN 69 Ca 0.21 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2g3j h ASN 69 Cb 0.24 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 2g3j h ASN 69 CO -0.25 0.97 0.25 -0.25 -1.65 0.00 0.00 177.43 176.50 2g3j h TRP 70 N 0.67 0.84 0.31 1.19 7.01 -1.14 -1.65 115.95 123.18 2g3j h TRP 70 Ca 0.09 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 2g3j h TRP 70 Cb 0.72 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 2g3j h TRP 70 CO 0.04 0.66 -0.15 0.00 -2.79 0.00 0.00 178.44 176.20 2g3j h ALA 71 N 1.09 -0.42 -0.40 2.65 0.00 -1.21 -2.39 119.26 118.59 2g3j h ALA 71 Ca 0.19 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2g3j h ALA 71 Cb 0.16 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2g3j h ALA 71 CO -0.02 -0.68 0.19 0.28 0.00 0.00 0.00 179.25 179.02 2g3j h VAL 72 N -0.54 0.97 0.00 0.00 2.07 -1.40 -1.03 116.25 116.32 2g3j h VAL 72 Ca -0.04 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2g3j h VAL 72 Cb 0.40 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2g3j h VAL 72 CO 0.07 0.07 -0.04 1.56 0.02 0.00 0.00 177.57 179.25 2g3j h GLN 73 N 0.39 0.00 -0.31 1.57 4.20 -1.29 -2.36 115.11 117.32 2g3j h GLN 73 Ca 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2g3j h GLN 73 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2g3j h GLN 73 CO -0.12 0.04 0.00 0.09 -0.67 0.00 0.00 178.83 178.17 2g3j n ASN 74 N -3.81 4.12 -0.12 1.46 3.02 -0.87 -4.99 115.26 114.08 2g3j n ASN 74 Ca -0.03 -3.03 -0.01 0.00 -0.03 0.00 0.00 54.58 51.48 2g3j n ASN 74 Cb 0.13 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.72 2g3j n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g3j n GLY 75 N -0.37 0.48 3.89 7.41 0.00 -0.82 -5.02 105.19 110.76 2g3j n GLY 75 Ca 0.23 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 2g3j n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g3j s LYS 76 N -2.26 3.16 0.78 1.61 3.01 -0.45 -4.92 119.74 120.67 2g3j s LYS 76 Ca 0.00 -0.92 -0.07 0.00 -1.01 0.00 0.00 55.97 53.97 2g3j s LYS 76 Cb 0.00 -2.71 0.12 0.00 -1.01 0.00 0.00 37.83 34.23 2g3j s LYS 76 CO 0.00 0.42 1.09 -0.65 0.51 0.00 0.00 175.35 176.71 2g3j s GLN 77 N -3.90 1.60 -0.01 1.68 -0.21 -0.91 -3.95 119.66 113.97 2g3j s GLN 77 Ca 0.33 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 55.15 2g3j s GLN 77 Cb -0.08 -2.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 2g3j s GLN 77 CO 0.27 -1.62 -0.12 0.08 -2.12 0.00 0.00 175.29 171.78 2g3j s VAL 78 N -3.38 0.92 -0.16 1.09 1.01 -1.26 -1.08 120.40 117.54 2g3j s VAL 78 Ca 0.66 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2g3j s VAL 78 Cb -0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 2g3j s VAL 78 CO 0.47 0.25 0.05 -0.13 0.00 0.00 0.00 175.10 175.73 2g3j s ARG 79 N -0.31 3.76 0.04 2.72 0.52 -0.34 -1.73 118.95 123.62 2g3j s ARG 79 Ca 0.04 -0.35 -0.25 0.00 -0.52 0.00 0.00 55.73 54.66 2g3j s ARG 79 Cb -0.05 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 2g3j s ARG 79 CO -0.00 0.38 0.75 0.20 0.02 0.00 0.00 175.30 176.65 2g3j s GLY 80 N 0.06 2.77 -0.25 -3.53 0.00 0.74 -4.20 107.32 102.91 2g3j s GLY 80 Ca 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.01 2g3j s GLY 80 CO 0.01 1.08 0.32 -1.58 0.00 0.00 0.00 173.10 172.93 2g3j s HIS 81 N -0.03 -0.62 0.05 1.90 5.04 -1.26 -0.25 115.29 120.12 2g3j s HIS 81 Ca 0.38 0.40 -0.21 0.00 -1.54 0.00 0.00 55.06 54.09 2g3j s HIS 81 Cb -0.20 -0.20 0.05 0.00 0.04 0.00 0.00 32.58 32.26 2g3j s HIS 81 CO 0.22 -0.76 0.49 -0.08 -2.34 0.00 0.00 174.74 172.28 2g3j s THR 82 N 2.45 0.04 -0.08 0.89 -1.32 -1.17 -3.43 115.64 113.03 2g3j s THR 82 Ca 0.10 -0.30 0.10 0.00 -1.21 0.00 0.00 61.69 60.38 2g3j s THR 82 Cb -0.15 -0.97 -0.24 0.00 -1.51 0.00 0.00 72.50 69.63 2g3j s THR 82 CO -0.20 -0.16 0.53 0.18 -2.21 0.00 0.00 174.62 172.76 2g3j n LEU 83 N 0.42 1.10 -3.61 9.08 4.77 -0.64 -4.14 117.00 123.98 2g3j n LEU 83 Ca -0.18 0.33 -0.18 0.00 -0.03 0.00 0.00 56.01 55.95 2g3j n LEU 83 Cb 0.60 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 2g3j n LEU 83 CO 0.19 0.48 -0.22 0.00 -1.33 0.00 0.00 177.39 176.51 2g3j s ALA 84 N -2.58 -0.18 -0.00 -1.18 0.00 0.26 -4.65 121.76 113.43 2g3j s ALA 84 Ca -0.09 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.14 2g3j s ALA 84 Cb 0.08 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.23 2g3j s ALA 84 CO 0.81 -0.80 0.38 -0.46 0.00 0.00 0.00 175.76 175.69 2g3j s TRP 85 N 2.30 -0.25 0.01 0.00 -0.00 -1.26 -2.42 118.94 117.31 2g3j s TRP 85 Ca 0.04 0.35 0.14 0.00 -0.00 0.00 0.00 56.10 56.63 2g3j s TRP 85 Cb -0.13 0.16 0.18 0.00 -0.00 0.00 0.00 33.47 33.67 2g3j s TRP 85 CO -0.08 -0.46 1.49 1.12 -0.00 0.00 0.00 176.95 179.02 2g3j h HIS 86 N 3.54 0.00 -2.28 5.86 2.07 -1.87 -3.45 115.15 119.02 2g3j h HIS 86 Ca -0.30 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.65 2g3j h HIS 86 Cb 1.18 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.06 2g3j h HIS 86 CO 0.48 0.59 -0.66 0.45 -3.07 0.00 0.00 177.93 175.71 2g3j s SER 87 N -6.53 4.44 -1.42 3.10 0.15 -1.26 -4.55 113.70 107.62 2g3j s SER 87 Ca 0.02 -0.67 -0.03 0.00 0.70 0.00 0.00 55.95 55.96 2g3j s SER 87 Cb 0.09 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2g3j s SER 87 CO 0.75 0.01 0.45 0.00 1.20 0.00 0.00 173.24 175.65 2g3j n ALA 88 N -0.79 -0.81 -2.19 5.45 0.00 -1.26 -4.87 120.51 116.05 2g3j n ALA 88 Ca -0.07 0.24 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2g3j n ALA 88 Cb 0.59 -3.27 -0.06 0.00 0.00 0.00 0.00 19.45 16.71 2g3j n ALA 88 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2g3j s GLN 89 N -5.46 4.26 0.89 0.00 -0.21 -1.26 -1.93 119.66 115.96 2g3j s GLN 89 Ca 0.22 0.82 -0.11 0.00 0.02 0.00 0.00 55.36 56.31 2g3j s GLN 89 Cb -0.10 -3.12 0.13 0.00 1.00 0.00 0.00 33.01 30.92 2g3j s GLN 89 CO 0.27 0.55 1.10 -1.25 -2.12 0.00 0.00 175.29 173.84 2g3j s PRO 90 N -1.43 1.24 0.30 2.91 0.04 -1.26 -4.78 135.00 132.02 2g3j s PRO 90 Ca 0.35 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 2g3j s PRO 90 Cb -0.19 -1.78 0.47 0.00 0.04 0.00 0.00 34.50 33.04 2g3j s PRO 90 CO 0.21 -2.35 1.96 0.78 0.04 0.00 0.00 177.00 177.64 2g3j h GLY 91 N -1.64 1.10 1.01 0.56 0.00 -1.97 -0.62 103.07 101.51 2g3j h GLY 91 Ca -0.47 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.44 2g3j h GLY 91 CO 0.49 0.42 0.55 0.11 0.00 0.00 0.00 176.54 178.11 2g3j h TRP 92 N 1.06 1.06 -0.05 5.60 5.08 -1.92 -1.24 115.95 125.55 2g3j h TRP 92 Ca 0.28 0.02 -0.24 0.00 1.08 0.00 0.00 58.89 60.03 2g3j h TRP 92 Cb -0.09 -0.36 0.02 0.00 -3.00 0.00 0.00 29.16 25.73 2g3j h TRP 92 CO 0.00 0.67 -0.91 1.98 -1.28 0.00 0.00 178.44 178.90 2g3j h MET 93 N 1.14 0.70 -0.73 0.12 -1.53 -1.85 -2.87 114.93 109.90 2g3j h MET 93 Ca 0.31 -0.69 0.21 0.00 -3.44 0.00 0.00 59.70 56.09 2g3j h MET 93 Cb -0.12 0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.09 2g3j h MET 93 CO -0.06 1.28 0.57 1.96 0.14 0.00 0.00 176.91 180.80 2g3j h GLN 94 N 0.38 0.00 -0.01 0.39 4.20 -0.81 -2.12 115.11 117.15 2g3j h GLN 94 Ca -0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2g3j h GLN 94 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 2g3j h GLN 94 CO 0.18 0.00 -0.08 0.43 -0.67 0.00 0.00 178.83 178.69 2g3j n SER 95 N -4.15 0.94 -4.99 1.46 7.64 -0.49 -4.92 113.62 109.11 2g3j n SER 95 Ca 0.15 -1.07 -0.19 0.00 1.01 0.00 0.00 58.87 58.76 2g3j n SER 95 Cb 0.84 0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 64.05 2g3j n SER 95 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2g3j s LEU 96 N -2.22 3.89 0.35 -3.43 1.43 -0.80 -5.10 118.68 112.80 2g3j s LEU 96 Ca 0.34 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.19 2g3j s LEU 96 Cb 0.21 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.67 2g3j s LEU 96 CO 0.41 -0.52 0.55 -0.94 0.23 0.00 0.00 176.35 176.09 2g3j s SER 97 N -4.21 0.68 0.60 2.29 1.04 -1.26 -4.83 113.70 108.00 2g3j s SER 97 Ca 0.47 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2g3j s SER 97 Cb -0.10 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2g3j s SER 97 CO 0.32 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2g3j n GLY 98 N -0.55 2.66 0.08 7.32 0.00 -1.26 -1.63 105.19 111.81 2g3j n GLY 98 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 2g3j n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g3j h SER 99 N 0.79 0.00 -0.37 1.61 4.64 -1.96 -1.71 113.55 116.55 2g3j h SER 99 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2g3j h SER 99 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2g3j h SER 99 CO 0.00 0.88 0.04 0.74 -0.87 0.00 0.00 176.83 177.62 2g3j h THR 100 N 0.00 0.78 -0.40 2.95 2.02 -1.97 -1.21 112.91 115.07 2g3j h THR 100 Ca -0.02 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 2g3j h THR 100 Cb 1.68 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 2g3j h THR 100 CO 0.11 0.03 0.07 0.25 0.37 0.00 0.00 175.52 176.35 2g3j h LEU 101 N 0.15 0.63 -1.00 2.58 5.85 -0.97 -1.92 115.31 120.63 2g3j h LEU 101 Ca 0.18 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2g3j h LEU 101 Cb 0.22 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 2g3j h LEU 101 CO -0.26 0.73 0.63 -0.09 -0.34 0.00 0.00 178.44 179.11 2g3j h ARG 102 N 0.50 1.01 -0.11 1.25 9.65 -1.18 -1.04 114.38 124.47 2g3j h ARG 102 Ca 0.12 -0.06 -0.15 0.00 -1.10 0.00 0.00 59.98 58.79 2g3j h ARG 102 Cb 0.37 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2g3j h ARG 102 CO 0.01 0.67 -0.56 0.37 2.80 0.00 0.00 179.97 183.25 2g3j h GLN 103 N 1.04 0.33 -0.35 0.20 5.75 -0.94 -2.02 115.11 119.12 2g3j h GLN 103 Ca 0.48 -0.21 -0.12 0.00 -0.15 0.00 0.00 58.65 58.65 2g3j h GLN 103 Cb 0.39 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2g3j h GLN 103 CO -0.24 0.80 -0.26 0.00 -2.65 0.00 0.00 178.83 176.48 2g3j h ALA 104 N 1.15 0.89 -0.37 3.38 0.00 -0.67 -1.10 119.26 122.53 2g3j h ALA 104 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2g3j h ALA 104 Cb 1.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2g3j h ALA 104 CO 0.09 0.63 0.23 1.98 0.00 0.00 0.00 179.25 182.18 2g3j h MET 105 N 0.61 0.45 -0.25 0.00 1.85 -0.92 0.13 114.93 116.81 2g3j h MET 105 Ca 0.08 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.11 2g3j h MET 105 Cb 0.76 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.68 2g3j h MET 105 CO 0.06 0.30 0.04 0.82 -0.40 0.00 0.00 176.91 177.73 2g3j h ILE 106 N 0.47 1.23 -0.83 1.77 2.04 -1.22 -1.53 117.51 119.43 2g3j h ILE 106 Ca 0.14 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2g3j h ILE 106 Cb -0.02 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2g3j h ILE 106 CO -0.05 0.25 0.46 0.44 0.00 0.00 0.00 178.15 179.25 2g3j h ASP 107 N 0.23 1.04 -0.01 1.72 3.32 -1.10 -1.11 116.42 120.50 2g3j h ASP 107 Ca 0.08 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2g3j h ASP 107 Cb 0.34 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2g3j h ASP 107 CO 0.01 0.84 0.00 -0.74 -1.72 0.00 0.00 179.24 177.63 2g3j h HIS 108 N 1.16 0.01 -0.69 4.55 2.76 -0.56 -0.50 115.15 121.89 2g3j h HIS 108 Ca 0.29 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.61 2g3j h HIS 108 Cb 0.03 -0.00 -0.11 0.00 1.55 0.00 0.00 27.41 28.88 2g3j h HIS 108 CO 0.01 0.23 0.09 0.82 -1.30 0.00 0.00 177.93 177.78 2g3j h ILE 109 N -0.21 0.50 -0.21 6.26 2.04 -1.15 -2.16 117.51 122.58 2g3j h ILE 109 Ca 0.00 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 2g3j h ILE 109 Cb 0.23 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2g3j h ILE 109 CO 0.00 0.04 -0.23 0.78 0.00 0.00 0.00 178.15 178.73 2g3j h ASN 110 N 0.20 0.57 -0.36 1.72 2.35 -0.73 -2.22 115.58 117.11 2g3j h ASN 110 Ca 0.37 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2g3j h ASN 110 Cb 0.63 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 2g3j h ASN 110 CO -0.52 0.94 0.19 1.23 -1.65 0.00 0.00 177.43 177.62 2g3j h GLY 111 N 0.22 0.50 0.31 2.83 0.00 -0.91 -0.84 103.07 105.17 2g3j h GLY 111 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2g3j h GLY 111 CO 0.06 0.11 -0.01 -2.08 0.00 0.00 0.00 176.54 174.62 2g3j h VAL 112 N 0.40 1.47 -0.75 4.60 2.07 -1.39 -2.50 116.25 120.15 2g3j h VAL 112 Ca 0.15 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 2g3j h VAL 112 Cb 0.04 2.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2g3j h VAL 112 CO -0.09 0.40 0.43 0.24 0.02 0.00 0.00 177.57 178.57 2g3j h MET 113 N -0.71 1.02 -0.86 1.57 2.07 -1.47 -2.30 114.93 114.26 2g3j h MET 113 Ca -0.00 -0.10 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 2g3j h MET 113 Cb 0.67 -0.21 -0.04 0.00 -1.87 0.00 0.00 31.60 30.15 2g3j h MET 113 CO 0.00 0.73 0.55 0.78 1.07 0.00 0.00 176.91 180.05 2g3j h GLY 114 N 1.07 1.23 1.19 8.32 0.00 -1.14 -1.82 103.07 111.91 2g3j h GLY 114 Ca 0.27 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 2g3j h GLY 114 CO -0.05 0.47 0.29 0.84 0.00 0.00 0.00 176.54 178.09 2g3j h HIS 115 N 1.17 1.05 -0.60 5.60 2.76 -0.94 -2.88 115.15 121.30 2g3j h HIS 115 Ca 0.31 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2g3j h HIS 115 Cb -0.10 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.54 2g3j h HIS 115 CO -0.01 0.79 0.00 0.66 -1.30 0.00 0.00 177.93 178.08 2g3j n TYR 116 N -4.30 1.95 -1.67 5.26 4.01 -1.00 -5.02 117.16 116.38 2g3j n TYR 116 Ca 0.06 -0.70 -0.49 0.00 -0.16 0.00 0.00 57.90 56.62 2g3j n TYR 116 Cb 0.17 -0.44 -0.05 0.00 -0.31 0.00 0.00 39.34 38.71 2g3j n TYR 116 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2g3j n LYS 117 N 0.78 1.95 -0.72 -0.72 4.81 -0.72 0.08 118.16 123.61 2g3j n LYS 117 Ca 0.28 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 2g3j n LYS 117 Cb 1.13 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.69 2g3j n LYS 117 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2g3j n GLY 118 N 3.80 1.39 0.63 3.14 0.00 -1.26 -4.87 105.19 108.02 2g3j n GLY 118 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 2g3j n GLY 118 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g3j n LYS 119 N -2.00 1.29 -4.37 1.61 5.02 0.11 -4.95 118.16 114.87 2g3j n LYS 119 Ca 0.00 -1.50 -0.33 0.00 -2.02 0.00 0.00 58.31 54.47 2g3j n LYS 119 Cb 0.00 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 2g3j n LYS 119 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2g3j s ILE 120 N -1.22 2.04 0.04 -0.18 -1.09 -1.25 -4.64 121.20 114.90 2g3j s ILE 120 Ca 0.19 -0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 57.45 2g3j s ILE 120 Cb 0.13 -1.82 -0.14 0.00 -1.58 0.00 0.00 42.46 39.04 2g3j s ILE 120 CO 0.19 0.54 1.39 0.00 -1.23 0.00 0.00 174.94 175.83 2g3j h ALA 121 N 7.66 0.17 -3.41 9.38 0.00 -1.70 -3.40 119.26 127.96 2g3j h ALA 121 Ca -0.39 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 2g3j h ALA 121 Cb 1.16 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.67 2g3j h ALA 121 CO 0.60 -0.04 -0.73 -0.65 0.00 0.00 0.00 179.25 178.42 2g3j s GLN 122 N -4.58 0.39 -0.11 0.00 -0.21 -1.24 -1.83 119.66 112.08 2g3j s GLN 122 Ca -0.14 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 54.80 2g3j s GLN 122 Cb 0.05 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.85 2g3j s GLN 122 CO 0.72 0.04 -0.23 -1.58 -2.12 0.00 0.00 175.29 172.12 2g3j s TRP 123 N -0.86 2.56 -0.85 0.91 0.52 -0.09 -0.19 118.94 120.94 2g3j s TRP 123 Ca -0.06 -1.09 -0.25 0.00 0.02 0.00 0.00 56.10 54.71 2g3j s TRP 123 Cb -0.06 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2g3j s TRP 123 CO -0.00 -0.45 1.55 -0.51 0.02 0.00 0.00 176.95 177.56 2g3j s ASP 124 N 0.43 5.95 -0.01 2.95 1.01 0.66 -0.09 116.67 127.57 2g3j s ASP 124 Ca -0.17 -0.71 -0.21 0.00 0.71 0.00 0.00 52.55 52.17 2g3j s ASP 124 Cb -0.18 -2.56 -0.24 0.00 1.01 0.00 0.00 42.92 40.95 2g3j s ASP 124 CO 0.07 -1.98 1.06 0.58 0.21 0.00 0.00 175.17 175.12 2g3j h VAL 125 N 6.66 1.46 -3.77 -1.27 2.07 -1.51 -1.69 116.25 118.21 2g3j h VAL 125 Ca -0.04 -2.10 -0.51 0.00 0.82 0.00 0.00 66.70 64.86 2g3j h VAL 125 Cb 1.05 2.69 -0.32 0.00 -1.52 0.00 0.00 31.29 33.19 2g3j h VAL 125 CO 1.31 0.60 -0.82 -0.69 0.02 0.00 0.00 177.57 177.99 2g3j s VAL 126 N -3.11 1.18 -0.08 2.57 1.01 -1.23 -0.57 120.40 120.17 2g3j s VAL 126 Ca -0.14 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.31 2g3j s VAL 126 Cb 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.38 2g3j s VAL 126 CO 0.81 0.35 -0.16 0.21 0.00 0.00 0.00 175.10 176.31 2g3j s ASN 127 N 0.22 2.19 -1.17 3.32 2.47 -1.02 -1.33 114.94 119.62 2g3j s ASN 127 Ca -0.06 -0.38 -0.06 0.00 0.42 0.00 0.00 52.86 52.78 2g3j s ASN 127 Cb -0.12 -1.01 -0.02 0.00 -1.45 0.00 0.00 41.25 38.65 2g3j s ASN 127 CO 0.02 0.07 0.84 -0.62 -3.72 0.00 0.00 177.10 173.69 2g3j n GLU 128 N 3.74 -3.72 0.00 0.43 1.02 0.63 -4.53 120.64 118.22 2g3j n GLU 128 Ca -0.22 0.71 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 2g3j n GLU 128 Cb 0.52 -5.31 0.15 0.00 -0.02 0.00 0.00 31.44 26.77 2g3j n GLU 128 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g3j n ALA 129 N -3.91 2.85 -2.69 0.62 0.00 -1.26 -4.79 120.51 111.34 2g3j n ALA 129 Ca -0.19 -0.62 -0.32 0.00 0.00 0.00 0.00 53.44 52.31 2g3j n ALA 129 Cb 0.64 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 2g3j n ALA 129 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2g3j s PHE 130 N -2.18 3.07 0.61 0.00 0.40 -1.26 0.04 117.98 118.66 2g3j s PHE 130 Ca 0.26 0.06 -0.16 0.00 -0.60 0.00 0.00 56.93 56.49 2g3j s PHE 130 Cb 0.19 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 2g3j s PHE 130 CO 0.40 0.47 1.11 0.45 0.70 0.00 0.00 175.22 178.35 2g3j s SER 131 N -1.73 5.39 -0.16 1.36 0.15 -0.92 -4.64 113.70 113.15 2g3j s SER 131 Ca 0.21 2.03 0.13 0.00 0.70 0.00 0.00 55.95 59.02 2g3j s SER 131 Cb -0.12 -2.56 0.64 0.00 -1.71 0.00 0.00 66.02 62.28 2g3j s SER 131 CO 0.12 -1.44 1.50 0.47 1.20 0.00 0.00 173.24 175.09 2g3j n ASP 132 N -2.01 4.55 -0.91 5.45 8.00 -1.26 -4.55 116.55 125.82 2g3j n ASP 132 Ca 0.11 -2.61 0.05 0.00 0.71 0.00 0.00 54.79 53.04 2g3j n ASP 132 Cb 0.52 -0.61 0.18 0.00 -0.02 0.00 0.00 41.12 41.20 2g3j n ASP 132 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2g3j n ASP 133 N 0.65 2.61 0.00 -2.24 5.75 -1.26 -4.91 116.55 117.15 2g3j n ASP 133 Ca 0.22 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2g3j n ASP 133 Cb 0.93 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2g3j n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2g3j n GLY 134 N 0.77 0.40 0.13 6.12 0.00 -1.26 -4.86 105.19 106.48 2g3j n GLY 134 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2g3j n GLY 134 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g3j h SER 135 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.44 113.55 114.45 2g3j h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g3j h SER 135 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2g3j h SER 135 CO 0.00 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 2g3j n GLY 136 N 1.25 1.80 3.95 -0.77 0.00 -1.26 -4.95 105.19 105.22 2g3j n GLY 136 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2g3j n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2g3j s GLY 137 N -2.00 1.76 0.73 -0.02 0.00 -1.26 -4.28 107.32 102.25 2g3j s GLY 137 Ca 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 2g3j s GLY 137 CO 0.00 -0.65 1.12 0.50 0.00 0.00 0.00 173.10 174.08 2g3j s ARG 138 N -5.61 2.35 0.81 2.90 1.81 -1.26 -2.17 118.95 117.77 2g3j s ARG 138 Ca 0.70 1.39 -0.11 0.00 -1.72 0.00 0.00 55.73 55.99 2g3j s ARG 138 Cb -0.05 -1.89 0.08 0.00 -0.45 0.00 0.00 34.95 32.63 2g3j s ARG 138 CO 0.50 -1.60 1.09 0.50 -0.68 0.00 0.00 175.30 175.10 2g3j s ARG 139 N -4.38 2.00 -0.57 3.54 3.52 0.11 -4.37 118.95 118.80 2g3j s ARG 139 Ca 0.66 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 57.24 2g3j s ARG 139 Cb -0.21 -1.88 0.45 0.00 -1.56 0.00 0.00 34.95 31.75 2g3j s ARG 139 CO 0.48 -1.77 1.81 -3.47 -0.81 0.00 0.00 175.30 171.54 2g3j n ASP 140 N -3.58 6.95 -4.44 -2.12 2.03 -1.26 -4.76 116.55 109.37 2g3j n ASP 140 Ca 0.08 -3.78 -0.29 0.00 0.52 0.00 0.00 54.79 51.32 2g3j n ASP 140 Cb 0.54 -0.81 0.19 0.00 -0.72 0.00 0.00 41.12 40.33 2g3j n ASP 140 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2g3j s SER 141 N -2.30 2.24 0.27 1.67 1.04 -1.26 -4.81 113.70 110.54 2g3j s SER 141 Ca 0.61 0.96 -0.01 0.00 0.48 0.00 0.00 55.95 57.99 2g3j s SER 141 Cb 0.48 -1.48 0.54 0.00 0.10 0.00 0.00 66.02 65.67 2g3j s SER 141 CO -0.00 -3.34 1.76 -0.55 0.98 0.00 0.00 173.24 172.08 2g3j h ASN 142 N -2.04 0.54 -0.29 7.02 -1.07 -1.95 -1.32 115.58 116.46 2g3j h ASN 142 Ca -0.51 0.09 0.00 0.00 0.07 0.00 0.00 56.30 55.95 2g3j h ASN 142 Cb 1.32 0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 37.56 2g3j h ASN 142 CO 0.52 0.22 0.19 -0.07 0.07 0.00 0.00 177.43 178.36 2g3j h LEU 143 N 0.63 0.33 -1.15 6.14 3.38 -1.95 -1.96 115.31 120.73 2g3j h LEU 143 Ca 0.47 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.46 2g3j h LEU 143 Cb 0.67 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2g3j h LEU 143 CO -0.36 0.24 0.58 -0.61 0.09 0.00 0.00 178.44 178.38 2g3j h GLN 144 N 0.39 1.08 0.00 1.13 5.75 -1.76 -2.50 115.11 119.20 2g3j h GLN 144 Ca 0.11 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2g3j h GLN 144 Cb -0.04 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.26 2g3j h GLN 144 CO -0.02 0.72 0.00 0.54 -2.65 0.00 0.00 178.83 177.41 2g3j n ARG 145 N -4.44 0.03 0.10 1.69 1.74 -0.53 -0.90 116.66 114.35 2g3j n ARG 145 Ca 0.12 0.36 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 2g3j n ARG 145 Cb 0.10 -1.57 0.45 0.00 -1.02 0.00 0.00 32.46 30.42 2g3j n ARG 145 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2g3j n THR 146 N -1.63 0.64 0.00 0.55 -2.24 -0.94 -4.68 114.28 105.98 2g3j n THR 146 Ca 0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2g3j n THR 146 Cb 0.12 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 2g3j n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g3j n GLY 147 N 0.83 4.00 0.27 3.38 0.00 -0.08 -4.92 105.19 108.66 2g3j n GLY 147 Ca 0.04 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.72 2g3j n GLY 147 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2g3j h ASN 148 N 0.00 0.11 0.00 1.61 -1.24 -1.90 -2.13 115.58 112.03 2g3j h ASN 148 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2g3j h ASN 148 Cb 0.00 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2g3j h ASN 148 CO 0.00 0.09 0.00 -0.90 -1.29 0.00 0.00 177.43 175.33 2g3j n ASP 149 N -4.52 0.00 -0.31 1.15 5.75 -1.26 -3.92 116.55 113.45 2g3j n ASP 149 Ca -0.02 -0.52 0.00 0.00 -0.01 0.00 0.00 54.79 54.25 2g3j n ASP 149 Cb 0.09 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.31 2g3j n ASP 149 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2g3j h TRP 150 N 0.00 0.98 -0.35 2.11 5.08 -1.69 -0.89 115.95 121.19 2g3j h TRP 150 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.98 2g3j h TRP 150 Cb 0.00 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 25.82 2g3j h TRP 150 CO 0.00 0.52 0.16 0.82 -1.28 0.00 0.00 178.44 178.66 2g3j h ILE 151 N 0.98 1.17 -0.04 0.12 2.04 -1.86 0.22 117.51 120.15 2g3j h ILE 151 Ca 0.36 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2g3j h ILE 151 Cb 0.13 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2g3j h ILE 151 CO -0.16 0.18 -0.13 -0.08 0.00 0.00 0.00 178.15 177.96 2g3j h GLU 152 N 0.43 -0.19 -0.78 2.37 4.81 -1.71 -1.61 114.58 117.91 2g3j h GLU 152 Ca 0.12 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2g3j h GLU 152 Cb 0.14 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 2g3j h GLU 152 CO -0.01 -0.13 0.52 0.28 -0.73 0.00 0.00 179.01 178.93 2g3j h VAL 153 N -0.20 1.18 -0.17 0.32 2.07 -0.95 -1.24 116.25 117.26 2g3j h VAL 153 Ca 0.06 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2g3j h VAL 153 Cb 0.28 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2g3j h VAL 153 CO -0.16 0.19 -0.00 0.00 0.02 0.00 0.00 177.57 177.62 2g3j h ALA 154 N 1.52 0.14 -0.24 1.67 0.00 -0.31 0.35 119.26 122.39 2g3j h ALA 154 Ca 0.29 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 2g3j h ALA 154 Cb -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2g3j h ALA 154 CO -0.07 -0.45 -0.15 0.74 0.00 0.00 0.00 179.25 179.33 2g3j h PHE 155 N 0.05 0.61 -0.10 0.00 0.04 -0.74 -1.04 116.94 115.76 2g3j h PHE 155 Ca 0.08 -0.16 0.03 0.00 2.80 0.00 0.00 57.97 60.71 2g3j h PHE 155 Cb 0.10 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 2g3j h PHE 155 CO -0.16 0.81 -0.06 0.00 -0.60 0.00 0.00 178.31 178.29 2g3j h ARG 156 N 0.23 -0.06 -0.31 1.51 3.08 -1.17 -1.12 114.38 116.53 2g3j h ARG 156 Ca 0.05 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.17 2g3j h ARG 156 Cb 0.66 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.65 2g3j h ARG 156 CO 0.04 -0.04 -0.23 1.15 -1.07 0.00 0.00 179.97 179.82 2g3j h THR 157 N -0.07 0.39 -0.45 2.04 2.02 -0.76 -2.59 112.91 113.49 2g3j h THR 157 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 2g3j h THR 157 Cb 0.16 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2g3j h THR 157 CO -0.14 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.05 2g3j h ALA 158 N 0.93 1.89 -0.11 6.16 0.00 -0.92 0.15 119.26 127.36 2g3j h ALA 158 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2g3j h ALA 158 Cb 0.45 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2g3j h ALA 158 CO -0.43 0.05 -0.05 -0.09 0.00 0.00 0.00 179.25 178.73 2g3j h ARG 159 N 0.42 0.22 -0.49 0.00 9.65 -0.83 -2.73 114.38 120.61 2g3j h ARG 159 Ca 0.19 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 2g3j h ARG 159 Cb 0.22 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 2g3j h ARG 159 CO -0.05 0.56 0.29 0.00 2.80 0.00 0.00 179.97 183.58 2g3j h ALA 160 N 0.65 0.63 -0.49 2.80 0.00 -1.20 -2.79 119.26 118.86 2g3j h ALA 160 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2g3j h ALA 160 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2g3j h ALA 160 CO 0.01 -0.02 0.32 0.00 0.00 0.00 0.00 179.25 179.57 2g3j h ALA 161 N 1.23 1.75 -0.94 0.00 0.00 -0.76 -3.38 119.26 117.15 2g3j h ALA 161 Ca 0.20 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2g3j h ALA 161 Cb 0.03 -0.16 -0.17 0.00 0.00 0.00 0.00 17.79 17.49 2g3j h ALA 161 CO -0.10 0.20 -0.44 0.34 0.00 0.00 0.00 179.25 179.25 2g3j s ASP 162 N -6.55 -1.40 0.63 0.00 -1.08 -1.05 -4.52 116.67 102.70 2g3j s ASP 162 Ca -0.08 -1.19 0.29 0.00 -0.52 0.00 0.00 52.55 51.05 2g3j s ASP 162 Cb 0.18 1.82 1.58 0.00 -1.46 0.00 0.00 42.92 45.03 2g3j s ASP 162 CO 0.74 -0.10 1.93 -0.65 0.52 0.00 0.00 175.17 177.61 2g3j h PRO 163 N 5.90 0.00 0.00 4.34 0.11 -1.69 -2.92 132.00 137.74 2g3j h PRO 163 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 2g3j h PRO 163 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2g3j h PRO 163 CO 0.04 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 177.59 2g3j h ALA 164 N 1.42 0.92 -2.70 -0.75 0.00 -1.95 -3.46 119.26 112.74 2g3j h ALA 164 Ca 0.08 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 54.17 2g3j h ALA 164 Cb 0.83 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2g3j h ALA 164 CO -0.00 0.31 -0.19 0.00 0.00 0.00 0.00 179.25 179.36 2g3j s ALA 165 N -3.41 3.68 0.32 0.00 0.00 -1.10 -4.99 121.76 116.25 2g3j s ALA 165 Ca 0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 2g3j s ALA 165 Cb 0.09 -2.41 -0.11 0.00 0.00 0.00 0.00 23.12 20.69 2g3j s ALA 165 CO 0.66 0.44 1.43 0.15 0.00 0.00 0.00 175.76 178.44 2g3j s LYS 166 N -0.93 4.23 -0.25 0.00 1.02 -0.76 -4.89 119.74 118.15 2g3j s LYS 166 Ca 0.24 2.38 -0.05 0.00 0.02 0.00 0.00 55.97 58.56 2g3j s LYS 166 Cb -0.17 -3.05 -0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2g3j s LYS 166 CO 0.13 -0.40 0.02 -0.51 -0.92 0.00 0.00 175.35 173.67 2g3j s LEU 167 N -1.32 3.37 -0.03 3.17 1.43 -1.26 -0.91 118.68 123.12 2g3j s LEU 167 Ca 0.55 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 2g3j s LEU 167 Cb -0.43 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2g3j s LEU 167 CO 0.52 -0.09 -0.03 0.00 0.23 0.00 0.00 176.35 176.99 2g3j s TYR 169 N -0.97 3.49 -0.03 0.00 5.04 -1.04 -1.30 117.35 122.53 2g3j s TYR 169 Ca 0.16 0.61 0.03 0.00 -2.44 0.00 0.00 57.07 55.43 2g3j s TYR 169 Cb -0.11 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 39.90 2g3j s TYR 169 CO 0.06 0.31 -0.12 1.21 -1.34 0.00 0.00 175.55 175.68 2g3j s ASN 170 N 0.23 1.52 0.27 4.32 2.47 -0.44 0.06 114.94 123.37 2g3j s ASN 170 Ca 0.16 -0.24 -0.21 0.00 0.42 0.00 0.00 52.86 53.00 2g3j s ASN 170 Cb -0.13 -0.40 0.02 0.00 -1.45 0.00 0.00 41.25 39.29 2g3j s ASN 170 CO 0.04 0.10 0.70 -0.62 -3.72 0.00 0.00 177.10 173.60 2g3j s ASP 171 N 0.13 -0.26 0.25 -4.21 -1.08 -0.88 -0.27 116.67 110.35 2g3j s ASP 171 Ca -0.03 -0.60 0.11 0.00 -0.52 0.00 0.00 52.55 51.51 2g3j s ASP 171 Cb -0.09 0.72 -0.05 0.00 -1.46 0.00 0.00 42.92 42.04 2g3j s ASP 171 CO 0.01 -1.32 -0.19 -0.72 0.52 0.00 0.00 175.17 173.47 2g3j s TYR 172 N -3.92 2.35 -1.55 -5.34 1.13 -1.26 -1.28 117.35 107.48 2g3j s TYR 172 Ca 0.11 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 2g3j s TYR 172 Cb -0.05 -1.06 0.00 0.00 -1.10 0.00 0.00 41.96 39.74 2g3j s TYR 172 CO 0.06 0.65 0.00 0.09 -2.51 0.00 0.00 175.55 173.84 2g3j n ASN 173 N -0.40 -5.14 -0.48 -0.18 5.03 -1.26 -4.89 115.26 107.94 2g3j n ASN 173 Ca -0.07 0.04 0.08 0.00 0.87 0.00 0.00 54.58 55.49 2g3j n ASN 173 Cb 0.59 -4.22 0.19 0.00 -1.02 0.00 0.00 39.78 35.32 2g3j n ASN 173 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2g3j n ILE 174 N -3.83 2.11 -0.03 2.41 -5.35 -1.26 -4.19 119.36 109.23 2g3j n ILE 174 Ca -0.20 -2.32 -0.09 0.00 -0.27 0.00 0.00 62.75 59.86 2g3j n ILE 174 Cb 0.65 -0.25 -0.14 0.00 -1.74 0.00 0.00 39.64 38.15 2g3j n ILE 174 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2g3j n GLU 175 N -1.10 0.64 -2.80 6.28 4.71 -1.26 -4.77 120.64 122.34 2g3j n GLU 175 Ca 0.20 0.27 -0.42 0.00 -0.01 0.00 0.00 57.16 57.19 2g3j n GLU 175 Cb 0.76 -1.76 -0.03 0.00 -1.01 0.00 0.00 31.44 29.39 2g3j n GLU 175 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2g3j s ASN 176 N -6.09 6.85 0.49 1.62 3.84 -1.26 -4.08 114.94 116.31 2g3j s ASN 176 Ca -0.06 0.98 0.15 0.00 0.21 0.00 0.00 52.86 54.13 2g3j s ASN 176 Cb 0.08 -2.47 1.17 0.00 -0.55 0.00 0.00 41.25 39.47 2g3j s ASN 176 CO 0.82 -0.67 2.11 -0.25 -2.79 0.00 0.00 177.10 176.32 2g3j h TRP 177 N 7.88 0.06 -0.00 0.43 2.91 -1.89 -2.61 115.95 122.73 2g3j h TRP 177 Ca -0.22 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.80 2g3j h TRP 177 Cb 1.08 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 2g3j h TRP 177 CO 0.78 0.07 -0.49 0.25 -1.03 0.00 0.00 178.44 178.03 2g3j n THR 178 N -4.49 0.00 -3.03 2.65 -2.24 -1.26 -4.71 114.28 101.20 2g3j n THR 178 Ca -0.02 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.41 2g3j n THR 178 Cb 0.12 0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.60 2g3j n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2g3j s TRP 179 N -2.92 3.36 0.27 4.78 -0.11 -0.99 -4.98 118.94 118.36 2g3j s TRP 179 Ca 0.13 1.36 -0.01 0.00 1.22 0.00 0.00 56.10 58.80 2g3j s TRP 179 Cb 0.18 -2.65 0.38 0.00 -1.50 0.00 0.00 33.47 29.88 2g3j s TRP 179 CO 0.68 0.04 1.77 0.00 -4.62 0.00 0.00 176.95 174.82 2g3j h ALA 180 N 2.19 1.14 0.03 5.86 0.00 -1.89 -2.87 119.26 123.72 2g3j h ALA 180 Ca -0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 2g3j h ALA 180 Cb 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2g3j h ALA 180 CO 0.64 0.55 -0.02 -0.22 0.00 0.00 0.00 179.25 180.20 2g3j h LYS 181 N 0.67 -0.04 -0.80 0.00 3.64 -1.87 -0.84 116.57 117.33 2g3j h LYS 181 Ca 0.13 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.69 2g3j h LYS 181 Cb 0.46 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.18 2g3j h LYS 181 CO 0.02 0.12 0.28 1.15 -2.27 0.00 0.00 179.45 178.75 2g3j h THR 182 N -0.20 0.53 -0.07 1.00 2.02 -1.68 -1.62 112.91 112.89 2g3j h THR 182 Ca -0.00 -0.12 -0.17 0.00 0.77 0.00 0.00 66.41 66.88 2g3j h THR 182 Cb 0.18 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2g3j h THR 182 CO 0.01 0.06 -0.69 1.56 0.37 0.00 0.00 175.52 176.84 2g3j h GLN 183 N 0.36 0.32 -0.68 6.66 1.08 -1.22 0.70 115.11 122.33 2g3j h GLN 183 Ca 0.47 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2g3j h GLN 183 Cb 0.82 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.26 2g3j h GLN 183 CO -0.50 0.89 0.43 0.78 -0.95 0.00 0.00 178.83 179.48 2g3j h GLY 184 N 1.41 0.97 0.77 3.46 0.00 -0.26 0.16 103.07 109.59 2g3j h GLY 184 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 2g3j h GLY 184 CO 0.11 0.37 -0.35 -2.08 0.00 0.00 0.00 176.54 174.59 2g3j h VAL 185 N 0.92 1.39 -0.49 4.60 2.07 -1.12 -2.05 116.25 121.57 2g3j h VAL 185 Ca 0.25 -1.69 0.07 0.00 0.82 0.00 0.00 66.70 66.15 2g3j h VAL 185 Cb -0.07 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 2g3j h VAL 185 CO -0.05 0.50 0.17 0.22 0.02 0.00 0.00 177.57 178.43 2g3j h TYR 186 N -0.01 0.30 -0.97 1.57 3.20 -0.75 -0.16 116.97 120.15 2g3j h TYR 186 Ca -0.01 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2g3j h TYR 186 Cb 0.98 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.14 2g3j h TYR 186 CO 0.11 0.10 0.63 -0.91 -1.64 0.00 0.00 178.16 176.45 2g3j h ASN 187 N 0.34 1.13 -0.08 -2.11 2.35 -0.63 -1.64 115.58 114.94 2g3j h ASN 187 Ca 0.24 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2g3j h ASN 187 Cb 0.25 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 2g3j h ASN 187 CO -0.24 0.83 -0.00 -0.03 -1.65 0.00 0.00 177.43 176.33 2g3j h MET 188 N 1.32 0.15 -0.64 0.81 4.05 -0.61 -2.15 114.93 117.87 2g3j h MET 188 Ca 0.35 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.70 2g3j h MET 188 Cb -0.13 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 2g3j h MET 188 CO -0.07 0.42 0.29 0.28 0.23 0.00 0.00 176.91 178.05 2g3j h VAL 189 N -0.14 1.21 -0.66 -5.77 2.07 -0.92 -0.67 116.25 111.38 2g3j h VAL 189 Ca 0.02 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 2g3j h VAL 189 Cb 0.35 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2g3j h VAL 189 CO 0.00 0.26 0.14 -0.09 0.02 0.00 0.00 177.57 177.90 2g3j h ARG 190 N 0.90 1.06 -0.33 1.57 2.43 -1.22 0.68 114.38 119.47 2g3j h ARG 190 Ca 0.22 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2g3j h ARG 190 Cb 0.12 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2g3j h ARG 190 CO -0.03 0.95 0.05 0.22 -1.51 0.00 0.00 179.97 179.65 2g3j h ASP 191 N 1.00 0.53 -0.23 -3.80 3.58 -0.84 -1.30 116.42 115.36 2g3j h ASP 191 Ca 0.21 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.41 2g3j h ASP 191 Cb 0.38 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2g3j h ASP 191 CO 0.01 0.67 0.09 -0.26 -2.88 0.00 0.00 179.24 176.86 2g3j h PHE 192 N 0.38 0.16 -0.72 0.28 -1.00 -0.84 -2.52 116.94 112.68 2g3j h PHE 192 Ca 0.10 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 2g3j h PHE 192 Cb 0.36 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 2g3j h PHE 192 CO 0.03 0.08 0.24 0.87 -1.61 0.00 0.00 178.31 177.92 2g3j h LYS 193 N 0.20 1.10 -0.03 1.51 1.79 -0.74 0.42 116.57 120.83 2g3j h LYS 193 Ca 0.10 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2g3j h LYS 193 Cb 0.06 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 2g3j h LYS 193 CO -0.10 0.92 0.02 1.96 -1.08 0.00 0.00 179.45 181.17 2g3j h GLN 194 N 1.06 0.04 -0.01 3.15 4.20 -0.98 -3.18 115.11 119.39 2g3j h GLN 194 Ca 0.24 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2g3j h GLN 194 Cb 0.27 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2g3j h GLN 194 CO -0.01 0.03 -0.15 0.54 -0.67 0.00 0.00 178.83 178.56 2g3j n ARG 195 N -4.53 1.46 -2.50 1.46 1.74 -0.83 -5.01 116.66 108.44 2g3j n ARG 195 Ca -0.03 -1.03 -0.04 0.00 -0.77 0.00 0.00 57.85 55.99 2g3j n ARG 195 Cb 0.09 -1.24 0.01 0.00 -1.02 0.00 0.00 32.46 30.30 2g3j n ARG 195 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3j n GLY 196 N 0.94 0.53 3.71 -0.13 0.00 0.07 -5.02 105.19 105.28 2g3j n GLY 196 Ca 0.07 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2g3j n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g3j s VAL 197 N -2.79 4.68 -1.18 1.61 1.01 -0.76 -4.97 120.40 118.00 2g3j s VAL 197 Ca 0.07 1.93 -0.21 0.00 0.00 0.00 0.00 61.98 63.78 2g3j s VAL 197 Cb -0.03 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.12 2g3j s VAL 197 CO 0.09 0.11 1.77 -2.16 0.00 0.00 0.00 175.10 174.92 2g3j s PRO 198 N 1.27 3.35 -0.23 2.72 0.04 -1.26 -4.62 135.00 136.27 2g3j s PRO 198 Ca 0.53 -1.45 -0.03 0.00 0.04 0.00 0.00 61.00 60.09 2g3j s PRO 198 Cb -0.22 -5.38 0.01 0.00 0.04 0.00 0.00 34.50 28.95 2g3j s PRO 198 CO 0.26 -2.86 -0.06 -1.50 0.04 0.00 0.00 177.00 172.88 2g3j s ILE 199 N 6.89 3.10 -0.03 0.56 2.07 -1.26 -4.78 121.20 127.75 2g3j s ILE 199 Ca 0.58 -0.73 0.08 0.00 -1.41 0.00 0.00 60.65 59.17 2g3j s ILE 199 Cb 0.01 -2.47 -0.24 0.00 0.13 0.00 0.00 42.46 39.89 2g3j s ILE 199 CO 0.06 0.34 0.71 0.44 -1.91 0.00 0.00 174.94 174.58 2g3j h ASP 200 N 8.07 0.10 -5.11 4.50 3.32 -1.54 -3.46 116.42 122.29 2g3j h ASP 200 Ca -0.38 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.41 2g3j h ASP 200 Cb 1.14 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 2g3j h ASP 200 CO 0.60 1.16 -0.24 0.00 -1.72 0.00 0.00 179.24 179.04 2g3j s VAL 202 N -3.62 1.78 -0.23 0.00 1.01 -0.42 -2.50 120.40 116.41 2g3j s VAL 202 Ca 0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 2g3j s VAL 202 Cb 0.03 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2g3j s VAL 202 CO -0.10 0.50 0.06 -0.83 0.00 0.00 0.00 175.10 174.73 2g3j s GLY 203 N -0.09 1.78 -0.46 4.51 0.00 0.11 -1.55 107.32 111.62 2g3j s GLY 203 Ca -0.03 -1.05 -0.12 0.00 0.00 0.00 0.00 44.72 43.51 2g3j s GLY 203 CO 0.03 0.42 0.35 -1.36 0.00 0.00 0.00 173.10 172.54 2g3j s PHE 204 N 1.34 3.30 0.34 1.90 0.40 0.23 -2.08 117.98 123.40 2g3j s PHE 204 Ca 0.05 -1.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.16 2g3j s PHE 204 Cb -0.15 -3.18 0.74 0.00 0.51 0.00 0.00 43.02 40.94 2g3j s PHE 204 CO 0.03 -0.86 1.89 1.96 0.70 0.00 0.00 175.22 178.95 2g3j h GLN 205 N 8.60 0.76 -5.80 0.44 4.20 -1.47 -2.39 115.11 119.45 2g3j h GLN 205 Ca -0.26 -0.05 -0.37 0.00 0.06 0.00 0.00 58.65 58.04 2g3j h GLN 205 Cb 1.10 -0.17 0.14 0.00 0.30 0.00 0.00 27.48 28.84 2g3j h GLN 205 CO 0.85 0.50 -0.74 0.43 -0.67 0.00 0.00 178.83 179.20 2g3j n SER 206 N -4.54 -3.73 -4.55 1.46 7.64 -1.26 -1.76 113.62 106.88 2g3j n SER 206 Ca 0.16 -0.62 -0.41 0.00 1.01 0.00 0.00 58.87 59.01 2g3j n SER 206 Cb 0.37 -4.93 -0.03 0.00 -1.01 0.00 0.00 64.21 58.61 2g3j n SER 206 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2g3j s HIS 207 N -3.37 2.38 -0.08 1.43 3.76 -1.26 -2.74 115.29 115.41 2g3j s HIS 207 Ca 0.26 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.62 2g3j s HIS 207 Cb -0.11 -4.65 -0.05 0.00 1.11 0.00 0.00 32.58 28.88 2g3j s HIS 207 CO 0.74 -2.02 0.49 -0.06 -0.85 0.00 0.00 174.74 173.04 2g3j s PHE 208 N 5.46 3.57 0.00 1.40 0.08 0.28 -4.82 117.98 123.95 2g3j s PHE 208 Ca 0.40 0.96 0.00 0.00 0.12 0.00 0.00 56.93 58.40 2g3j s PHE 208 Cb -0.05 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2g3j s PHE 208 CO 0.05 0.26 0.00 0.27 -0.10 0.00 0.00 175.22 175.70 2g3j n ASN 209 N 3.29 0.00 0.18 1.36 0.23 -1.04 -1.45 115.26 117.82 2g3j n ASN 209 Ca -0.08 -0.80 0.02 0.00 -0.53 0.00 0.00 54.58 53.19 2g3j n ASN 209 Cb 0.52 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.54 2g3j n ASN 209 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2g3j h SER 210 N 0.00 0.01 1.25 0.53 4.64 -1.96 -1.64 113.55 116.38 2g3j h SER 210 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g3j h SER 210 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2g3j h SER 210 CO 0.00 0.42 -0.46 1.23 -0.87 0.00 0.00 176.83 177.15 2g3j h GLY 211 N 1.23 0.00 -5.86 -0.77 0.00 -1.97 -3.38 103.07 92.31 2g3j h GLY 211 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 2g3j h GLY 211 CO 0.05 0.00 -0.79 -1.35 0.00 0.00 0.00 176.54 174.46 2g3j s SER 212 N -4.95 0.34 0.63 0.19 1.04 -0.91 -5.15 113.70 104.89 2g3j s SER 212 Ca 0.06 -2.51 -0.17 0.00 0.48 0.00 0.00 55.95 53.81 2g3j s SER 212 Cb 0.11 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 2g3j s SER 212 CO 0.70 -0.13 1.17 -2.16 0.98 0.00 0.00 173.24 173.80 2g3j s PRO 213 N 0.43 2.82 0.63 4.02 0.05 -0.67 -2.48 135.00 139.79 2g3j s PRO 213 Ca 0.31 1.65 -0.18 0.00 0.05 0.00 0.00 61.00 62.83 2g3j s PRO 213 Cb 0.02 -1.93 -0.03 0.00 0.05 0.00 0.00 34.50 32.61 2g3j s PRO 213 CO -0.14 -1.28 1.11 0.98 0.05 0.00 0.00 177.00 177.72 2g3j n TYR 214 N -2.00 1.30 -3.77 0.56 9.36 -1.26 -4.88 117.16 116.46 2g3j n TYR 214 Ca 0.12 0.43 -0.13 0.00 3.32 0.00 0.00 57.90 61.64 2g3j n TYR 214 Cb 0.51 -2.19 -0.12 0.00 -0.63 0.00 0.00 39.34 36.91 2g3j n TYR 214 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2g3j s ASN 215 N -1.31 -0.28 0.00 2.98 3.84 -1.26 -5.05 114.94 113.86 2g3j s ASN 215 Ca 0.79 0.54 0.14 0.00 0.21 0.00 0.00 52.86 54.54 2g3j s ASN 215 Cb -0.40 0.53 0.61 0.00 -0.55 0.00 0.00 41.25 41.44 2g3j s ASN 215 CO 0.44 -0.11 1.43 -1.54 -2.79 0.00 0.00 177.10 174.53 2g3j n SER 216 N 3.17 0.00 0.00 -4.21 3.41 -1.26 -1.00 113.62 113.73 2g3j n SER 216 Ca -0.15 0.42 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 2g3j n SER 216 Cb 0.57 -0.46 0.53 0.00 -0.26 0.00 0.00 64.21 64.60 2g3j n SER 216 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2g3j n ASN 217 N -1.46 0.00 -0.34 4.04 0.23 -1.26 -2.85 115.26 113.62 2g3j n ASN 217 Ca 0.04 -0.58 0.08 0.00 -0.53 0.00 0.00 54.58 53.59 2g3j n ASN 217 Cb 0.15 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.10 2g3j n ASN 217 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2g3j h PHE 218 N 0.00 1.03 -0.22 -2.53 3.57 -1.21 -0.80 116.94 116.78 2g3j h PHE 218 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2g3j h PHE 218 Cb 0.00 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 2g3j h PHE 218 CO 0.00 0.34 0.14 -0.09 -2.23 0.00 0.00 178.31 176.46 2g3j h ARG 219 N 0.85 0.29 -0.89 1.11 2.43 -1.79 -1.45 114.38 114.94 2g3j h ARG 219 Ca 0.50 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.74 2g3j h ARG 219 Cb 0.62 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 2g3j h ARG 219 CO -0.31 0.21 0.54 1.15 -1.51 0.00 0.00 179.97 180.05 2g3j h THR 220 N 0.28 0.98 0.09 0.20 2.02 -1.60 -0.92 112.91 113.96 2g3j h THR 220 Ca 0.08 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2g3j h THR 220 Cb -0.01 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 2g3j h THR 220 CO -0.02 0.17 -0.05 0.74 0.37 0.00 0.00 175.52 176.74 2g3j h THR 221 N 0.93 0.91 -0.33 3.16 2.02 -0.57 -1.15 112.91 117.88 2g3j h THR 221 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.59 2g3j h THR 221 Cb 0.29 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2g3j h THR 221 CO -0.21 0.00 0.21 -0.07 0.37 0.00 0.00 175.52 175.81 2g3j h LEU 222 N -0.12 0.39 -0.90 2.58 3.38 -0.69 -1.10 115.31 118.85 2g3j h LEU 222 Ca -0.01 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2g3j h LEU 222 Cb 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2g3j h LEU 222 CO 0.02 0.31 0.59 1.56 0.09 0.00 0.00 178.44 181.00 2g3j h GLN 223 N 0.44 1.14 -0.16 1.13 4.20 -1.14 -0.75 115.11 119.96 2g3j h GLN 223 Ca 0.12 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 2g3j h GLN 223 Cb -0.02 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.50 2g3j h GLN 223 CO -0.02 0.75 -0.27 -0.91 -0.67 0.00 0.00 178.83 177.70 2g3j h ASN 224 N 1.17 0.52 -0.64 1.46 2.35 -0.56 -1.66 115.58 118.22 2g3j h ASN 224 Ca 0.34 -0.54 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 2g3j h ASN 224 Cb -0.06 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2g3j h ASN 224 CO -0.10 0.96 0.08 -0.26 -1.65 0.00 0.00 177.43 176.45 2g3j h PHE 225 N 0.09 1.17 -0.55 1.19 -1.00 -1.17 -2.98 116.94 113.69 2g3j h PHE 225 Ca 0.01 -0.17 0.07 0.00 2.81 0.00 0.00 57.97 60.68 2g3j h PHE 225 Cb 0.86 -0.32 -0.06 0.00 3.61 0.00 0.00 35.95 40.04 2g3j h PHE 225 CO 0.09 0.99 0.24 0.00 -1.61 0.00 0.00 178.31 178.03 2g3j h ALA 226 N 1.05 0.71 0.00 2.45 0.00 -0.96 -2.10 119.26 120.41 2g3j h ALA 226 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2g3j h ALA 226 Cb 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2g3j h ALA 226 CO 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 179.25 179.10 2g3j h ALA 227 N 1.34 1.20 0.00 0.00 0.00 -1.15 0.11 119.26 120.76 2g3j h ALA 227 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2g3j h ALA 227 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2g3j h ALA 227 CO -0.22 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.34 2g3j n LEU 228 N -3.41 0.52 -0.07 0.00 4.77 -0.79 -4.87 117.00 113.16 2g3j n LEU 228 Ca -0.02 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2g3j n LEU 228 Cb 0.14 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2g3j n LEU 228 CO 0.25 -0.79 0.00 0.61 -1.33 0.00 0.00 177.39 176.13 2g3j n GLY 229 N -0.94 1.26 3.18 -0.72 0.00 0.37 -4.93 105.19 103.41 2g3j n GLY 229 Ca -0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2g3j n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g3j s VAL 230 N -2.14 0.93 0.65 1.61 -7.23 -1.22 -4.98 120.40 108.02 2g3j s VAL 230 Ca 0.00 -1.64 -0.12 0.00 -1.81 0.00 0.00 61.98 58.41 2g3j s VAL 230 Cb 0.00 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 2g3j s VAL 230 CO 0.00 -0.56 1.04 -1.81 -0.31 0.00 0.00 175.10 173.46 2g3j s ASP 231 N -2.45 5.78 0.11 4.85 1.01 -0.16 -4.30 116.67 121.51 2g3j s ASP 231 Ca 0.05 1.58 0.08 0.00 0.71 0.00 0.00 52.55 54.97 2g3j s ASP 231 Cb -0.03 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 2g3j s ASP 231 CO -0.00 -1.17 -0.19 0.68 0.21 0.00 0.00 175.17 174.70 2g3j s VAL 232 N -2.98 1.66 -0.03 -1.27 -7.23 -0.20 -1.31 120.40 109.04 2g3j s VAL 232 Ca 0.58 -1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 2g3j s VAL 232 Cb -0.13 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.24 2g3j s VAL 232 CO 0.51 -0.15 0.08 0.00 -0.31 0.00 0.00 175.10 175.23 2g3j s ALA 233 N -1.42 -0.20 -0.38 1.32 0.00 -0.60 -1.81 121.76 118.67 2g3j s ALA 233 Ca 0.08 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.98 2g3j s ALA 233 Cb -0.09 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2g3j s ALA 233 CO 0.04 -0.07 0.61 0.42 0.00 0.00 0.00 175.76 176.77 2g3j s ILE 234 N -0.22 4.90 -0.11 0.00 1.01 -1.00 -0.60 121.20 125.16 2g3j s ILE 234 Ca -0.03 0.37 0.12 0.00 0.00 0.00 0.00 60.65 61.11 2g3j s ILE 234 Cb -0.02 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 38.19 2g3j s ILE 234 CO 0.00 -0.39 0.08 0.35 0.00 0.00 0.00 174.94 174.99 2g3j n THR 235 N 5.64 0.75 -2.67 2.92 -2.24 -0.90 0.06 114.28 117.84 2g3j n THR 235 Ca -0.02 -0.51 -0.06 0.00 -2.27 0.00 0.00 64.05 61.19 2g3j n THR 235 Cb 0.48 -0.53 0.04 0.00 -2.10 0.00 0.00 70.33 68.22 2g3j n THR 235 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2g3j n GLU 236 N -2.40 2.02 -1.68 -0.78 1.02 -0.72 -4.60 120.64 113.49 2g3j n GLU 236 Ca -0.18 -3.62 -0.45 0.00 -0.02 0.00 0.00 57.16 52.89 2g3j n GLU 236 Cb 0.84 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 2g3j n GLU 236 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2g3j n LEU 237 N -0.55 3.29 -3.49 -4.62 7.94 -0.20 -4.23 117.00 115.14 2g3j n LEU 237 Ca 0.14 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.98 2g3j n LEU 237 Cb 0.83 -1.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.27 2g3j n LEU 237 CO 0.16 -0.23 0.44 1.51 -1.11 0.00 0.00 177.39 178.15 2g3j s ASP 238 N 0.83 -0.62 -0.11 1.96 1.47 -1.11 -1.37 116.67 117.73 2g3j s ASP 238 Ca 0.76 0.46 -0.02 0.00 1.18 0.00 0.00 52.55 54.93 2g3j s ASP 238 Cb -0.64 0.55 0.04 0.00 -0.34 0.00 0.00 42.92 42.53 2g3j s ASP 238 CO 0.39 -0.73 0.00 -0.63 0.68 0.00 0.00 175.17 174.89 2g3j s ILE 239 N -2.09 0.48 -0.21 2.11 1.01 -0.94 -0.55 121.20 121.00 2g3j s ILE 239 Ca -0.06 -0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.19 2g3j s ILE 239 Cb -0.00 -0.71 -0.08 0.00 0.01 0.00 0.00 42.46 41.68 2g3j s ILE 239 CO 0.02 0.15 2.15 1.67 0.00 0.00 0.00 174.94 178.93 2g3j n GLN 240 N 5.10 1.88 -0.27 2.79 7.27 -0.53 -0.84 117.38 132.78 2g3j n GLN 240 Ca -0.08 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.55 2g3j n GLN 240 Cb 0.49 -2.97 0.00 0.00 2.41 0.00 0.00 30.24 30.17 2g3j n GLN 240 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2g3j n GLY 241 N 5.67 0.98 4.29 1.69 0.00 -0.88 -4.59 105.19 112.34 2g3j n GLY 241 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 2g3j n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g3j n ALA 242 N -0.82 -1.50 -1.60 4.61 0.00 -0.02 -4.89 120.51 116.28 2g3j n ALA 242 Ca 0.00 -0.18 -0.47 0.00 0.00 0.00 0.00 53.44 52.79 2g3j n ALA 242 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 2g3j n ALA 242 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2g3j n SER 243 N -2.69 1.67 -0.19 0.00 2.88 -1.26 -4.44 113.62 109.58 2g3j n SER 243 Ca -0.05 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.54 2g3j n SER 243 Cb 0.55 -1.28 0.01 0.00 -0.75 0.00 0.00 64.21 62.74 2g3j n SER 243 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2g3j h SER 244 N 3.33 1.03 -0.53 -3.46 0.87 -1.91 -2.01 113.55 110.88 2g3j h SER 244 Ca -0.43 -0.34 0.09 0.00 -1.23 0.00 0.00 61.79 59.88 2g3j h SER 244 Cb 1.33 -0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 62.90 2g3j h SER 244 CO 0.70 1.13 -0.35 0.28 -0.53 0.00 0.00 176.83 178.06 2g3j h SER 245 N 0.91 -1.18 0.12 6.23 0.02 -1.98 -1.39 113.55 116.28 2g3j h SER 245 Ca 0.14 0.22 -0.27 0.00 -0.84 0.00 0.00 61.79 61.04 2g3j h SER 245 Cb 0.66 0.57 0.02 0.00 0.14 0.00 0.00 62.40 63.79 2g3j h SER 245 CO 0.05 -0.31 -1.11 0.74 -1.14 0.00 0.00 176.83 175.05 2g3j h THR 246 N -0.20 1.31 -0.36 -2.27 2.02 -1.91 0.29 112.91 111.78 2g3j h THR 246 Ca 0.21 -2.38 -0.02 0.00 0.77 0.00 0.00 66.41 64.98 2g3j h THR 246 Cb 0.55 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 2g3j h THR 246 CO -0.63 0.73 0.14 1.88 0.37 0.00 0.00 175.52 178.00 2g3j h TYR 247 N 0.32 0.51 0.02 3.16 0.05 -1.26 -1.71 116.97 118.05 2g3j h TYR 247 Ca -0.14 -0.02 -0.22 0.00 0.05 0.00 0.00 58.73 58.40 2g3j h TYR 247 Cb 1.77 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 39.35 2g3j h TYR 247 CO 0.10 0.41 -0.96 0.00 -1.05 0.00 0.00 178.16 176.65 2g3j h ALA 248 N 1.65 0.38 0.28 3.88 0.00 -0.86 -2.73 119.26 121.85 2g3j h ALA 248 Ca 0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2g3j h ALA 248 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2g3j h ALA 248 CO -0.01 0.87 -0.14 0.00 0.00 0.00 0.00 179.25 179.97 2g3j h ALA 249 N 0.79 -0.38 -0.27 0.00 0.00 -0.54 -1.47 119.26 117.40 2g3j h ALA 249 Ca -0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2g3j h ALA 249 Cb 1.61 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2g3j h ALA 249 CO 0.16 -0.71 -0.03 0.28 0.00 0.00 0.00 179.25 178.94 2g3j h VAL 250 N -0.38 0.77 -0.30 0.00 2.07 -1.40 -1.14 116.25 115.87 2g3j h VAL 250 Ca -0.04 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2g3j h VAL 250 Cb 0.30 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2g3j h VAL 250 CO 0.06 0.01 -0.02 0.74 0.02 0.00 0.00 177.57 178.37 2g3j h THR 251 N 0.04 0.76 0.00 2.57 2.02 -1.39 -2.23 112.91 114.67 2g3j h THR 251 Ca 0.13 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 2g3j h THR 251 Cb 0.18 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2g3j h THR 251 CO -0.25 0.01 -0.27 0.78 0.37 0.00 0.00 175.52 176.16 2g3j h ASN 252 N 0.06 0.00 0.04 4.18 2.35 -1.06 -0.56 115.58 120.59 2g3j h ASN 252 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2g3j h ASN 252 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2g3j h ASN 252 CO -0.26 0.27 -0.04 0.44 -1.65 0.00 0.00 177.43 176.19 2g3j h ASP 253 N 0.00 -0.12 -0.30 5.81 3.32 -0.64 -1.01 116.42 123.48 2g3j h ASP 253 Ca -0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2g3j h ASP 253 Cb 0.55 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2g3j h ASP 253 CO 0.04 -0.07 0.14 0.00 -1.72 0.00 0.00 179.24 177.63 2g3j h LEU 255 N 0.35 0.00 0.00 0.00 3.38 -1.03 -1.68 115.31 116.32 2g3j h LEU 255 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2g3j h LEU 255 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2g3j h LEU 255 CO -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.36 2g3j n ALA 256 N -2.11 2.68 -3.83 1.53 0.00 -0.39 -4.78 120.51 113.60 2g3j n ALA 256 Ca -0.03 -0.17 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 2g3j n ALA 256 Cb 0.10 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.04 2g3j n ALA 256 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2g3j s VAL 257 N -3.02 2.65 -0.15 0.00 1.01 -0.63 -4.99 120.40 115.26 2g3j s VAL 257 Ca 0.13 -1.08 0.26 0.00 0.00 0.00 0.00 61.98 61.28 2g3j s VAL 257 Cb 0.18 -2.33 0.32 0.00 0.00 0.00 0.00 36.38 34.55 2g3j s VAL 257 CO 0.59 0.23 1.76 0.77 0.00 0.00 0.00 175.10 178.45 2g3j h SER 258 N 7.97 0.00 -0.25 3.32 4.64 -1.86 -0.61 113.55 126.76 2g3j h SER 258 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2g3j h SER 258 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2g3j h SER 258 CO 0.57 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 177.14 2g3j n ARG 259 N -3.14 2.15 -3.03 4.77 1.74 -1.26 -4.78 116.66 113.11 2g3j n ARG 259 Ca 0.02 -1.14 -0.43 0.00 -0.77 0.00 0.00 57.85 55.53 2g3j n ARG 259 Cb 0.45 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 30.29 2g3j n ARG 259 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2g3j h LEU 261 N 10.25 1.05 0.00 0.00 3.38 -1.66 -3.47 115.31 124.85 2g3j h LEU 261 Ca -0.27 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2g3j h LEU 261 Cb 1.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2g3j h LEU 261 CO 1.02 0.97 0.00 0.61 0.09 0.00 0.00 178.44 181.14 2g3j n GLY 262 N -0.77 -1.49 3.18 0.83 0.00 -1.26 -2.64 105.19 103.04 2g3j n GLY 262 Ca 0.06 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2g3j n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g3j s ILE 263 N -2.66 1.77 -0.13 -0.61 1.01 -0.82 -2.39 121.20 117.37 2g3j s ILE 263 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2g3j s ILE 263 Cb 0.00 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.94 2g3j s ILE 263 CO 0.00 0.50 -0.21 -0.89 0.00 0.00 0.00 174.94 174.34 2g3j s THR 264 N 0.21 2.20 0.11 2.92 2.01 0.11 0.92 115.64 124.11 2g3j s THR 264 Ca -0.11 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.84 2g3j s THR 264 Cb -0.15 -1.88 -0.06 0.00 0.01 0.00 0.00 72.50 70.42 2g3j s THR 264 CO 0.05 0.55 0.44 0.68 -0.69 0.00 0.00 174.62 175.65 2g3j s VAL 265 N 0.68 5.04 -1.26 3.82 -7.23 -0.65 -1.04 120.40 119.77 2g3j s VAL 265 Ca -0.10 0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 60.48 2g3j s VAL 265 Cb -0.16 -3.66 0.18 0.00 0.56 0.00 0.00 36.38 33.30 2g3j s VAL 265 CO 0.01 0.24 1.79 1.87 -0.31 0.00 0.00 175.10 178.71 2g3j n TRP 266 N 0.76 3.15 0.00 2.82 -0.00 -0.47 -2.37 117.44 121.33 2g3j n TRP 266 Ca -0.07 -2.85 0.00 0.00 -0.00 0.00 0.00 57.50 54.58 2g3j n TRP 266 Cb 0.52 -1.93 0.00 0.00 -0.00 0.00 0.00 31.31 29.90 2g3j n TRP 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2g3j n GLY 267 N 2.85 4.03 0.14 5.87 0.00 -1.26 -4.75 105.19 112.07 2g3j n GLY 267 Ca 0.38 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 2g3j n GLY 267 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2g3j n VAL 268 N -1.59 1.76 -4.25 1.61 0.31 -1.26 -4.76 118.33 110.15 2g3j n VAL 268 Ca 0.00 -0.63 -0.14 0.00 -0.01 0.00 0.00 64.34 63.57 2g3j n VAL 268 Cb 0.00 -1.73 -0.10 0.00 -0.91 0.00 0.00 33.84 31.09 2g3j n VAL 268 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2g3j s ARG 269 N -2.55 1.09 0.28 5.55 0.52 -1.26 -4.18 118.95 118.40 2g3j s ARG 269 Ca -0.23 -1.50 0.02 0.00 -0.52 0.00 0.00 55.73 53.49 2g3j s ARG 269 Cb 0.07 -0.41 0.66 0.00 0.52 0.00 0.00 34.95 35.78 2g3j s ARG 269 CO 0.75 -0.05 1.72 -0.44 0.02 0.00 0.00 175.30 177.31 2g3j h ASP 270 N 2.72 0.43 0.48 0.23 3.32 -1.30 0.37 116.42 122.67 2g3j h ASP 270 Ca -0.37 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2g3j h ASP 270 Cb 1.20 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2g3j h ASP 270 CO 0.64 0.09 0.00 0.35 -1.72 0.00 0.00 179.24 178.60 2g3j n THR 271 N -4.97 1.05 0.80 0.35 -2.24 -1.26 -2.24 114.28 105.78 2g3j n THR 271 Ca 0.20 0.32 0.11 0.00 -2.27 0.00 0.00 64.05 62.42 2g3j n THR 271 Cb 0.57 -1.20 0.12 0.00 -2.10 0.00 0.00 70.33 67.72 2g3j n THR 271 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2g3j n ASP 272 N -1.87 3.00 -4.77 3.42 8.00 0.13 -4.93 116.55 119.53 2g3j n ASP 272 Ca 0.02 -1.95 -0.38 0.00 0.71 0.00 0.00 54.79 53.19 2g3j n ASP 272 Cb 0.16 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.16 2g3j n ASP 272 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2g3j s SER 273 N -1.79 7.13 0.59 -2.24 0.15 -0.95 -4.82 113.70 111.77 2g3j s SER 273 Ca 0.29 2.05 0.29 0.00 0.70 0.00 0.00 55.95 59.27 2g3j s SER 273 Cb 0.20 -2.60 1.61 0.00 -1.71 0.00 0.00 66.02 63.52 2g3j s SER 273 CO 0.29 -0.23 2.04 4.11 1.20 0.00 0.00 173.24 180.65 2g3j h TRP 274 N 3.20 0.00 -2.25 3.44 5.08 -1.89 -2.52 115.95 121.01 2g3j h TRP 274 Ca -0.47 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 58.92 2g3j h TRP 274 Cb 1.21 0.00 -0.42 0.00 -3.00 0.00 0.00 29.16 26.95 2g3j h TRP 274 CO 0.59 0.00 -0.70 0.00 -1.28 0.00 0.00 178.44 177.05 2g3j n ALA 275 N -2.32 4.32 -0.18 0.11 0.00 -1.26 -4.93 120.51 116.25 2g3j n ALA 275 Ca 0.03 -4.55 0.09 0.00 0.00 0.00 0.00 53.44 49.01 2g3j n ALA 275 Cb 0.42 -0.76 0.39 0.00 0.00 0.00 0.00 19.45 19.49 2g3j n ALA 275 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2g3j h SER 276 N 3.07 0.59 0.13 0.00 4.64 -1.61 -1.41 113.55 118.97 2g3j h SER 276 Ca 0.13 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 2g3j h SER 276 Cb 0.57 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2g3j h SER 276 CO 0.78 0.36 -0.07 1.23 -0.87 0.00 0.00 176.83 178.26 2g3j h GLY 277 N 0.66 0.00 0.97 -0.77 0.00 -1.89 -1.90 103.07 100.14 2g3j h GLY 277 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2g3j h GLY 277 CO -0.12 0.00 -0.02 1.22 0.00 0.00 0.00 176.54 177.62 2g3j n ASP 278 N -4.03 0.24 -3.92 0.19 8.00 -0.53 -4.97 116.55 111.53 2g3j n ASP 278 Ca -0.03 -0.77 -0.27 0.00 0.71 0.00 0.00 54.79 54.44 2g3j n ASP 278 Cb 0.16 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.19 2g3j n ASP 278 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2g3j n THR 279 N -0.94 -1.46 0.44 -3.53 -2.24 -0.71 -2.06 114.28 103.77 2g3j n THR 279 Ca 0.19 -0.32 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 2g3j n THR 279 Cb 0.20 -1.24 0.24 0.00 -2.10 0.00 0.00 70.33 67.43 2g3j n THR 279 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2g3j n PRO 280 N -3.24 2.39 -1.66 -0.78 -0.04 -1.26 -3.98 135.00 126.43 2g3j n PRO 280 Ca -0.06 -2.10 -0.05 0.00 -0.04 0.00 0.00 63.50 61.24 2g3j n PRO 280 Cb 0.31 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 2g3j n PRO 280 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2g3j n LEU 281 N 1.30 0.00 -0.88 1.53 4.77 -1.26 -2.22 117.00 120.24 2g3j n LEU 281 Ca 0.19 -0.63 0.12 0.00 -0.03 0.00 0.00 56.01 55.66 2g3j n LEU 281 Cb 0.56 -0.07 0.16 0.00 -2.33 0.00 0.00 43.42 41.74 2g3j n LEU 281 CO 0.15 -0.48 0.66 0.18 -1.33 0.00 0.00 177.39 176.58 2g3j n LEU 282 N 0.00 2.77 -4.03 2.23 4.77 -1.26 -4.87 117.00 116.60 2g3j n LEU 282 Ca 0.03 -0.92 -0.17 0.00 -0.03 0.00 0.00 56.01 54.91 2g3j n LEU 282 Cb 0.15 -0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 2g3j n LEU 282 CO 0.09 0.46 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.83 2g3j s PHE 283 N -2.00 0.74 0.75 -1.77 0.40 -1.26 -1.95 117.98 112.89 2g3j s PHE 283 Ca 0.29 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 56.28 2g3j s PHE 283 Cb 0.20 -0.46 0.04 0.00 0.51 0.00 0.00 43.02 43.31 2g3j s PHE 283 CO 0.31 -0.02 1.12 -0.80 0.70 0.00 0.00 175.22 176.53 2g3j s ASN 284 N -0.56 5.01 0.36 1.36 0.02 -0.42 -0.99 114.94 119.71 2g3j s ASN 284 Ca 0.00 1.04 0.14 0.00 -1.02 0.00 0.00 52.86 53.02 2g3j s ASN 284 Cb -0.05 -1.74 0.99 0.00 0.02 0.00 0.00 41.25 40.47 2g3j s ASN 284 CO 0.00 -1.61 1.75 1.23 0.02 0.00 0.00 177.10 178.49 2g3j h GLY 285 N -0.85 1.55 -0.46 0.66 0.00 -1.93 0.14 103.07 102.18 2g3j h GLY 285 Ca -0.46 -0.26 0.31 0.00 0.00 0.00 0.00 47.33 46.92 2g3j h GLY 285 CO 0.64 -0.18 0.59 -0.55 0.00 0.00 0.00 176.54 177.04 2g3j h ASP 286 N 0.50 0.54 0.00 0.19 3.32 -2.03 -3.47 116.42 115.46 2g3j h ASP 286 Ca 0.62 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.84 2g3j h ASP 286 Cb 1.35 0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.02 2g3j h ASP 286 CO -0.38 -0.09 0.00 0.61 -1.72 0.00 0.00 179.24 177.66 2g3j n GLY 287 N -1.30 0.70 3.78 2.75 0.00 0.49 -5.08 105.19 106.52 2g3j n GLY 287 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 2g3j n GLY 287 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g3j s SER 288 N -1.87 6.57 0.53 1.61 1.04 -1.26 -4.74 113.70 115.58 2g3j s SER 288 Ca 0.00 2.18 -0.22 0.00 0.48 0.00 0.00 55.95 58.39 2g3j s SER 288 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2g3j s SER 288 CO 0.00 -0.63 1.33 -0.54 0.98 0.00 0.00 173.24 174.38 2g3j s LYS 289 N -2.46 3.27 0.54 4.02 1.02 -1.26 -1.30 119.74 123.56 2g3j s LYS 289 Ca 0.59 2.17 0.09 0.00 0.02 0.00 0.00 55.97 58.84 2g3j s LYS 289 Cb -0.26 -2.30 0.07 0.00 -0.52 0.00 0.00 37.83 34.82 2g3j s LYS 289 CO 0.32 -1.07 0.74 0.15 -0.92 0.00 0.00 175.35 174.57 2g3j s LYS 290 N -2.85 2.42 0.20 1.68 1.02 -0.82 -4.79 119.74 116.59 2g3j s LYS 290 Ca 0.70 -1.56 -0.03 0.00 0.02 0.00 0.00 55.97 55.10 2g3j s LYS 290 Cb -0.39 -2.66 0.15 0.00 -0.52 0.00 0.00 37.83 34.41 2g3j s LYS 290 CO 0.46 -0.73 1.55 0.00 -0.92 0.00 0.00 175.35 175.71 2g3j h ALA 291 N 0.29 0.77 -0.06 5.17 0.00 -1.91 -2.44 119.26 121.07 2g3j h ALA 291 Ca -0.32 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.13 2g3j h ALA 291 Cb 1.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2g3j h ALA 291 CO 0.42 0.66 0.04 0.00 0.00 0.00 0.00 179.25 180.38 2g3j h ALA 292 N 1.02 2.03 -0.50 0.00 0.00 -1.90 -2.52 119.26 117.39 2g3j h ALA 292 Ca 0.03 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2g3j h ALA 292 Cb 0.98 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2g3j h ALA 292 CO 0.09 -0.04 0.05 -0.92 0.00 0.00 0.00 179.25 178.43 2g3j h TYR 293 N 0.03 0.06 -0.60 0.00 5.03 -1.65 -0.87 116.97 118.96 2g3j h TYR 293 Ca 0.03 0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.29 2g3j h TYR 293 Cb 0.08 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.38 2g3j h TYR 293 CO -0.00 -0.06 0.07 1.15 -1.32 0.00 0.00 178.16 178.00 2g3j h THR 294 N 0.17 1.26 -0.39 1.81 2.02 -1.56 -1.34 112.91 114.88 2g3j h THR 294 Ca 0.25 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 2g3j h THR 294 Cb 0.36 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2g3j h THR 294 CO -0.37 0.38 -0.08 0.00 0.37 0.00 0.00 175.52 175.82 2g3j h ALA 295 N 1.14 0.54 -0.54 6.16 0.00 -1.40 -0.26 119.26 124.89 2g3j h ALA 295 Ca 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2g3j h ALA 295 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2g3j h ALA 295 CO 0.01 0.39 0.23 0.28 0.00 0.00 0.00 179.25 180.16 2g3j h VAL 296 N 0.56 1.21 -0.62 0.00 2.07 -1.06 -1.99 116.25 116.42 2g3j h VAL 296 Ca 0.10 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2g3j h VAL 296 Cb 0.59 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2g3j h VAL 296 CO 0.04 0.25 0.03 0.25 0.02 0.00 0.00 177.57 178.16 2g3j h LEU 297 N 0.73 1.04 -0.04 2.57 5.85 -0.90 -0.94 115.31 123.61 2g3j h LEU 297 Ca 0.18 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2g3j h LEU 297 Cb 0.17 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2g3j h LEU 297 CO -0.02 1.07 0.01 0.78 -0.34 0.00 0.00 178.44 179.95 2g3j h ASN 298 N 0.99 0.06 -0.29 1.25 2.35 -1.00 0.19 115.58 119.11 2g3j h ASN 298 Ca 0.18 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2g3j h ASN 298 Cb 0.52 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.83 2g3j h ASN 298 CO 0.02 0.24 -0.01 0.00 -1.65 0.00 0.00 177.43 176.03 2g3j h ALA 299 N 0.82 0.25 -0.65 -0.83 0.00 -1.24 -0.45 119.26 117.16 2g3j h ALA 299 Ca 0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2g3j h ALA 299 Cb 0.20 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2g3j h ALA 299 CO -0.00 -0.42 0.43 -0.07 0.00 0.00 0.00 179.25 179.19 2g3j h LEU 300 N 0.07 0.57 -0.38 0.00 3.38 -0.99 -3.49 115.31 114.48 2g3j h LEU 300 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2g3j h LEU 300 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2g3j h LEU 300 CO -0.25 0.37 0.00 0.59 0.09 0.00 0.00 178.44 179.24