#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3b s ARG 3 N 0.00 0.95 0.00 3.69 1.81 -1.26 -5.05 118.95 119.09 1j3b s ARG 3 Ca 0.00 -1.08 0.15 0.00 -1.72 0.00 0.00 55.73 53.08 1j3b s ARG 3 Cb 0.00 -1.01 -0.03 0.00 -0.45 0.00 0.00 34.95 33.45 1j3b s ARG 3 CO 0.00 0.22 0.79 1.28 -0.68 0.00 0.00 175.30 176.91 1j3b n LEU 4 N 1.06 1.41 -0.04 2.53 4.77 -1.26 -4.56 117.00 120.91 1j3b n LEU 4 Ca -0.19 -0.71 0.11 0.00 -0.03 0.00 0.00 56.01 55.18 1j3b n LEU 4 Cb 0.55 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.15 1j3b n LEU 4 CO 0.23 0.28 1.17 -0.33 -1.33 0.00 0.00 177.39 177.41 1j3b h GLU 5 N 1.39 0.37 0.00 3.23 3.07 -1.87 0.12 114.58 120.89 1j3b h GLU 5 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1j3b h GLU 5 Cb 0.49 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1j3b h GLU 5 CO 0.00 0.24 0.00 0.00 -1.40 0.00 0.00 179.01 177.85 1j3b h ALA 6 N 1.73 1.00 -0.01 3.43 0.00 -1.84 0.13 119.26 123.69 1j3b h ALA 6 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1j3b h ALA 6 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j3b h ALA 6 CO -0.06 0.00 -0.29 1.28 0.00 0.00 0.00 179.25 180.18 1j3b n LEU 7 N -2.34 1.75 0.00 0.00 4.77 0.42 -4.92 117.00 116.68 1j3b n LEU 7 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1j3b n LEU 7 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1j3b n LEU 7 CO 0.16 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1j3b n GLY 8 N 1.36 0.76 3.73 -0.72 0.00 0.45 -4.96 105.19 105.80 1j3b n GLY 8 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1j3b n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3b s ILE 9 N -2.34 5.39 -0.60 -0.61 1.01 -1.09 -4.65 121.20 118.31 1j3b s ILE 9 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.96 1j3b s ILE 9 Cb 0.00 -3.50 0.16 0.00 0.01 0.00 0.00 42.46 39.13 1j3b s ILE 9 CO 0.00 0.43 0.41 -1.00 0.00 0.00 0.00 174.94 174.78 1j3b s HIS 10 N 0.38 2.96 -0.40 3.97 3.76 -1.26 -2.46 115.29 122.23 1j3b s HIS 10 Ca 0.10 -3.06 -0.44 0.00 -0.15 0.00 0.00 55.06 51.50 1j3b s HIS 10 Cb -0.11 -2.36 -0.19 0.00 1.11 0.00 0.00 32.58 31.03 1j3b s HIS 10 CO -0.01 -0.64 1.62 -2.30 -0.85 0.00 0.00 174.74 172.56 1j3b n PRO 11 N 2.45 0.39 -0.00 8.40 -0.02 -1.26 -4.79 135.00 140.17 1j3b n PRO 11 Ca 0.18 0.14 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1j3b n PRO 11 Cb 0.36 -1.71 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 1j3b n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1j3b n LYS 12 N 4.34 0.98 0.00 -0.52 4.76 0.12 -4.98 118.16 122.86 1j3b n LYS 12 Ca 0.29 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1j3b n LYS 12 Cb 0.01 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1j3b n LYS 12 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1j3b n LYS 13 N -1.59 1.84 -3.52 1.97 4.76 -1.26 -4.99 118.16 115.38 1j3b n LYS 13 Ca 0.02 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.19 1j3b n LYS 13 Cb 0.33 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.49 1j3b n LYS 13 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1j3b s ARG 14 N 4.64 3.54 -0.11 1.97 1.81 -1.26 -4.96 118.95 124.58 1j3b s ARG 14 Ca 0.00 -0.25 -0.01 0.00 -1.72 0.00 0.00 55.73 53.75 1j3b s ARG 14 Cb 0.00 -2.74 0.04 0.00 -0.45 0.00 0.00 34.95 31.80 1j3b s ARG 14 CO 0.00 0.28 -0.00 0.08 -0.68 0.00 0.00 175.30 174.98 1j3b s VAL 15 N -2.05 0.54 -0.33 3.52 1.01 -1.26 -1.10 120.40 120.73 1j3b s VAL 15 Ca 0.40 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1j3b s VAL 15 Cb -0.10 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1j3b s VAL 15 CO 0.31 0.16 0.17 -0.36 0.00 0.00 0.00 175.10 175.39 1j3b s PHE 16 N 1.89 3.20 -0.18 5.22 0.40 0.32 -4.98 117.98 123.86 1j3b s PHE 16 Ca 0.03 -0.67 -0.13 0.00 -0.60 0.00 0.00 56.93 55.56 1j3b s PHE 16 Cb -0.14 -2.39 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 1j3b s PHE 16 CO -0.06 -0.51 0.28 -1.58 0.70 0.00 0.00 175.22 174.05 1j3b s TRP 17 N 1.60 3.42 -1.71 0.36 0.52 -1.26 -0.61 118.94 121.26 1j3b s TRP 17 Ca 0.04 0.53 -0.18 0.00 0.02 0.00 0.00 56.10 56.51 1j3b s TRP 17 Cb -0.18 -2.35 0.16 0.00 -1.15 0.00 0.00 33.47 29.95 1j3b s TRP 17 CO 0.07 0.18 0.73 0.09 0.02 0.00 0.00 176.95 178.03 1j3b n ASN 18 N 3.81 -2.86 -4.71 2.95 3.02 0.59 -4.85 115.26 113.21 1j3b n ASN 18 Ca -0.12 -1.05 -0.43 0.00 -0.03 0.00 0.00 54.58 52.95 1j3b n ASN 18 Cb 0.52 -2.59 -0.02 0.00 -0.61 0.00 0.00 39.78 37.08 1j3b n ASN 18 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1j3b n THR 19 N -4.35 1.34 -2.24 3.41 -1.04 -1.26 -4.97 114.28 105.17 1j3b n THR 19 Ca 0.05 -0.34 -0.33 0.00 -2.04 0.00 0.00 64.05 61.40 1j3b n THR 19 Cb 0.50 -1.68 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 1j3b n THR 19 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1j3b s VAL 20 N -0.41 3.90 0.22 12.58 -7.23 -1.26 -4.86 120.40 123.33 1j3b s VAL 20 Ca 0.62 0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 61.65 1j3b s VAL 20 Cb -0.57 -3.45 0.26 0.00 0.56 0.00 0.00 36.38 33.19 1j3b s VAL 20 CO 0.54 -0.45 1.62 0.28 -0.31 0.00 0.00 175.10 176.78 1j3b h SER 21 N 0.84 -0.58 -0.73 4.85 0.02 -1.99 -2.26 113.55 113.70 1j3b h SER 21 Ca -0.48 0.20 0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1j3b h SER 21 Cb 1.22 0.40 -0.08 0.00 0.14 0.00 0.00 62.40 64.08 1j3b h SER 21 CO 0.58 -0.21 0.34 -0.65 -1.14 0.00 0.00 176.83 175.75 1j3b h PRO 22 N 0.02 0.53 -0.50 3.45 0.11 -1.99 -0.33 132.00 133.29 1j3b h PRO 22 Ca 0.33 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.30 1j3b h PRO 22 Cb 0.52 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1j3b h PRO 22 CO -0.68 0.35 -0.13 0.28 -0.21 0.00 0.00 178.00 177.60 1j3b h VAL 23 N 0.54 1.27 -0.67 3.15 2.07 -1.81 -1.25 116.25 119.56 1j3b h VAL 23 Ca 0.38 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1j3b h VAL 23 Cb 0.48 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1j3b h VAL 23 CO -0.32 0.44 0.29 -0.07 0.02 0.00 0.00 177.57 177.93 1j3b h LEU 24 N 0.82 0.88 -0.26 2.57 3.38 -0.94 0.07 115.31 121.84 1j3b h LEU 24 Ca 0.12 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1j3b h LEU 24 Cb 0.70 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1j3b h LEU 24 CO 0.05 0.77 -0.05 0.58 0.09 0.00 0.00 178.44 179.88 1j3b h VAL 25 N 0.95 1.28 -0.70 1.22 2.07 -0.83 -1.48 116.25 118.76 1j3b h VAL 25 Ca 0.23 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.76 1j3b h VAL 25 Cb 0.15 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1j3b h VAL 25 CO -0.02 0.33 0.41 -0.33 0.02 0.00 0.00 177.57 177.97 1j3b h GLU 26 N 0.24 0.73 -0.61 1.57 5.08 -0.70 -1.41 114.58 119.48 1j3b h GLU 26 Ca 0.07 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1j3b h GLU 26 Cb 0.51 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1j3b h GLU 26 CO 0.02 0.49 0.13 0.45 -1.00 0.00 0.00 179.01 179.10 1j3b h HIS 27 N 0.76 1.05 -0.50 4.33 3.86 -0.82 0.52 115.15 124.34 1j3b h HIS 27 Ca 0.31 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1j3b h HIS 27 Cb 0.16 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1j3b h HIS 27 CO -0.07 0.89 0.31 1.15 0.86 0.00 0.00 177.93 181.07 1j3b h THR 28 N 0.90 1.14 -0.13 2.45 2.02 -0.75 0.93 112.91 119.47 1j3b h THR 28 Ca 0.19 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1j3b h THR 28 Cb 0.38 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1j3b h THR 28 CO 0.01 0.14 0.01 -0.07 0.37 0.00 0.00 175.52 175.98 1j3b h LEU 29 N 0.67 0.22 -1.46 2.58 3.38 -1.09 0.98 115.31 120.58 1j3b h LEU 29 Ca 0.18 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1j3b h LEU 29 Cb -0.04 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1j3b h LEU 29 CO -0.04 0.44 0.41 0.25 0.09 0.00 0.00 178.44 179.60 1j3b h LEU 30 N -0.01 0.59 -0.62 1.67 5.85 -0.61 0.28 115.31 122.47 1j3b h LEU 30 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1j3b h LEU 30 Cb 0.32 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1j3b h LEU 30 CO 0.00 0.40 0.00 0.54 -0.34 0.00 0.00 178.44 179.04 1j3b n ARG 31 N -4.47 1.42 -3.30 1.25 1.74 0.30 -4.92 116.66 108.67 1j3b n ARG 31 Ca 0.08 -0.61 -0.21 0.00 -0.77 0.00 0.00 57.85 56.34 1j3b n ARG 31 Cb 0.18 -1.43 0.06 0.00 -1.02 0.00 0.00 32.46 30.25 1j3b n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3b n GLY 32 N 1.06 -0.38 0.80 -0.13 0.00 0.09 -4.91 105.19 101.71 1j3b n GLY 32 Ca 0.19 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.39 1j3b n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j3b n GLU 33 N -4.24 2.48 0.00 1.61 1.02 0.28 -5.03 120.64 116.76 1j3b n GLU 33 Ca -0.03 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 1j3b n GLU 33 Cb 0.57 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1j3b n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j3b n GLY 34 N 0.84 0.26 3.16 0.62 0.00 -1.25 -4.68 105.19 104.15 1j3b n GLY 34 Ca 0.14 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1j3b n GLY 34 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j3b s LEU 35 N 0.00 2.37 -0.09 0.99 0.05 -0.78 -4.53 118.68 116.70 1j3b s LEU 35 Ca 0.00 -1.05 -0.18 0.00 0.05 0.00 0.00 54.13 52.95 1j3b s LEU 35 Cb 0.00 0.02 -0.05 0.00 -2.05 0.00 0.00 46.19 44.12 1j3b s LEU 35 CO 0.00 -0.54 0.47 -0.76 -0.55 0.00 0.00 176.35 174.97 1j3b s LEU 36 N -3.04 4.32 0.51 1.48 1.43 -1.26 -0.52 118.68 121.61 1j3b s LEU 36 Ca 0.14 0.86 0.07 0.00 -1.03 0.00 0.00 54.13 54.17 1j3b s LEU 36 Cb 0.06 -2.68 0.05 0.00 0.03 0.00 0.00 46.19 43.65 1j3b s LEU 36 CO -0.04 0.07 0.71 0.00 0.23 0.00 0.00 176.35 177.32 1j3b s ALA 37 N 0.23 4.45 0.17 4.21 0.00 -0.23 -4.94 121.76 125.65 1j3b s ALA 37 Ca 0.25 -1.80 -0.33 0.00 0.00 0.00 0.00 51.96 50.09 1j3b s ALA 37 Cb -0.16 -1.66 -0.15 0.00 0.00 0.00 0.00 23.12 21.15 1j3b s ALA 37 CO 0.11 -0.64 1.27 1.58 0.00 0.00 0.00 175.76 178.08 1j3b n HIS 38 N -2.13 1.58 -0.91 0.00 -0.00 -0.20 -1.16 115.22 112.39 1j3b n HIS 38 Ca 0.11 0.59 0.00 0.00 0.46 0.00 0.00 57.72 58.88 1j3b n HIS 38 Cb 0.60 -2.34 0.00 0.00 -0.12 0.00 0.00 29.99 28.13 1j3b n HIS 38 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1j3b n HIS 39 N 1.88 0.00 0.00 1.57 8.25 -1.26 -4.25 115.22 121.41 1j3b n HIS 39 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1j3b n HIS 39 Cb 0.25 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1j3b n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j3b n GLY 40 N -2.01 0.78 3.75 -1.41 0.00 -0.31 -3.42 105.19 102.57 1j3b n GLY 40 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1j3b n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j3b s PRO 41 N -0.75 2.51 -0.27 1.61 0.04 -1.24 -4.11 135.00 132.78 1j3b s PRO 41 Ca 0.00 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 1j3b s PRO 41 Cb 0.00 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1j3b s PRO 41 CO 0.00 -1.49 0.26 -1.17 0.04 0.00 0.00 177.00 174.65 1j3b s LEU 42 N -5.12 4.03 -0.21 -3.56 2.96 0.54 -1.06 118.68 116.26 1j3b s LEU 42 Ca 0.68 0.12 -0.12 0.00 -0.22 0.00 0.00 54.13 54.59 1j3b s LEU 42 Cb -0.22 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1j3b s LEU 42 CO 0.44 -0.10 0.23 -0.69 -1.32 0.00 0.00 176.35 174.92 1j3b s VAL 43 N 1.86 5.32 0.23 1.68 1.01 0.32 -0.15 120.40 130.68 1j3b s VAL 43 Ca 0.10 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1j3b s VAL 43 Cb -0.16 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1j3b s VAL 43 CO 0.10 0.35 -0.04 0.68 0.00 0.00 0.00 175.10 176.19 1j3b s VAL 44 N 0.86 1.26 -0.05 2.92 -7.23 -0.42 -1.86 120.40 115.89 1j3b s VAL 44 Ca 0.12 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1j3b s VAL 44 Cb -0.13 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.54 1j3b s VAL 44 CO 0.04 -0.41 -0.16 -0.62 -0.31 0.00 0.00 175.10 173.64 1j3b s ASP 45 N -3.32 2.02 -0.02 4.85 -1.08 -1.26 -0.68 116.67 117.18 1j3b s ASP 45 Ca 0.26 -0.33 0.03 0.00 -0.52 0.00 0.00 52.55 51.99 1j3b s ASP 45 Cb 0.04 -0.62 0.05 0.00 -1.46 0.00 0.00 42.92 40.93 1j3b s ASP 45 CO 0.08 0.13 1.03 0.35 0.52 0.00 0.00 175.17 177.28 1j3b n THR 46 N 3.26 1.14 -1.61 1.71 -2.24 -1.26 -4.96 114.28 110.32 1j3b n THR 46 Ca -0.19 -1.19 -0.39 0.00 -2.27 0.00 0.00 64.05 60.00 1j3b n THR 46 Cb 0.53 0.39 0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1j3b n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3b n THR 47 N -0.62 2.99 0.50 4.28 -2.24 -1.26 -1.88 114.28 116.05 1j3b n THR 47 Ca 0.03 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1j3b n THR 47 Cb 0.31 -1.15 0.38 0.00 -2.10 0.00 0.00 70.33 67.78 1j3b n THR 47 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1j3b h PRO 48 N 1.01 0.00 -5.87 -0.78 0.13 -1.97 -3.49 132.00 121.02 1j3b h PRO 48 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 1j3b h PRO 48 Cb 1.35 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.36 1j3b h PRO 48 CO 0.54 0.00 1.23 0.71 -0.23 0.00 0.00 178.00 180.24 1j3b s TYR 49 N -3.18 2.63 -2.36 1.56 2.02 -0.79 -4.77 117.35 112.46 1j3b s TYR 49 Ca 0.09 -0.82 0.23 0.00 -0.37 0.00 0.00 57.07 56.20 1j3b s TYR 49 Cb 0.10 -4.57 0.45 0.00 -0.40 0.00 0.00 41.96 37.54 1j3b s TYR 49 CO 0.58 -1.85 1.41 0.25 -1.57 0.00 0.00 175.55 174.38 1j3b n THR 50 N 6.45 0.58 -3.93 -0.71 -2.24 -1.26 -4.00 114.28 109.16 1j3b n THR 50 Ca 0.24 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 1j3b n THR 50 Cb 0.50 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1j3b n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3b n GLY 51 N 1.50 2.03 3.76 3.38 0.00 -1.26 -4.80 105.19 109.79 1j3b n GLY 51 Ca 0.20 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1j3b n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j3b s ARG 52 N -2.57 2.45 -0.72 1.61 0.52 -1.26 -4.88 118.95 114.09 1j3b s ARG 52 Ca 0.23 1.40 0.04 0.00 -0.52 0.00 0.00 55.73 56.88 1j3b s ARG 52 Cb -0.01 -1.91 0.18 0.00 0.52 0.00 0.00 34.95 33.73 1j3b s ARG 52 CO 0.16 -1.53 0.56 0.43 0.02 0.00 0.00 175.30 174.95 1j3b n SER 53 N -2.86 3.25 -0.34 0.23 7.64 -1.26 -4.97 113.62 115.31 1j3b n SER 53 Ca 0.11 -3.24 0.14 0.00 1.01 0.00 0.00 58.87 56.89 1j3b n SER 53 Cb 0.52 -0.78 0.35 0.00 -1.01 0.00 0.00 64.21 63.29 1j3b n SER 53 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1j3b h PRO 54 N 5.29 0.69 0.00 1.43 0.11 -1.96 -0.82 132.00 136.74 1j3b h PRO 54 Ca 0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1j3b h PRO 54 Cb 0.74 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1j3b h PRO 54 CO 0.75 0.45 0.00 1.63 -0.21 0.00 0.00 178.00 180.62 1j3b n LYS 55 N -4.75 1.00 -0.15 1.05 4.76 -1.26 -2.83 118.16 115.98 1j3b n LYS 55 Ca 0.24 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.72 1j3b n LYS 55 Cb 0.61 -1.43 0.12 0.00 -1.84 0.00 0.00 35.03 32.49 1j3b n LYS 55 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1j3b n ASP 56 N -0.93 2.71 -4.65 4.39 8.00 -0.32 -4.84 116.55 120.92 1j3b n ASP 56 Ca 0.21 -2.27 -0.35 0.00 0.71 0.00 0.00 54.79 53.09 1j3b n ASP 56 Cb 0.09 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 1j3b n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1j3b s LYS 57 N -1.48 3.87 0.10 -1.24 2.20 -1.13 -1.17 119.74 120.90 1j3b s LYS 57 Ca 0.20 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1j3b s LYS 57 Cb 0.13 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.24 1j3b s LYS 57 CO 0.08 0.33 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.29 1j3b s PHE 58 N 0.19 0.89 -0.12 4.03 0.08 0.11 -4.24 117.98 118.93 1j3b s PHE 58 Ca 0.04 -0.94 0.02 0.00 0.12 0.00 0.00 56.93 56.17 1j3b s PHE 58 Cb -0.12 -0.52 0.01 0.00 -0.57 0.00 0.00 43.02 41.82 1j3b s PHE 58 CO 0.01 -0.18 -0.17 0.08 -0.10 0.00 0.00 175.22 174.86 1j3b s VAL 59 N -3.65 1.64 0.10 -0.44 1.01 0.34 -1.58 120.40 117.81 1j3b s VAL 59 Ca 0.13 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1j3b s VAL 59 Cb 0.06 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 1j3b s VAL 59 CO -0.04 0.47 1.75 -0.69 0.00 0.00 0.00 175.10 176.58 1j3b s VAL 60 N 1.00 2.76 -0.99 2.92 1.01 -0.36 -2.19 120.40 124.56 1j3b s VAL 60 Ca -0.05 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.95 1j3b s VAL 60 Cb -0.15 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.11 1j3b s VAL 60 CO -0.03 -0.00 1.47 -0.60 0.00 0.00 0.00 175.10 175.94 1j3b s ARG 61 N 2.67 3.48 -0.09 2.72 3.52 0.03 -4.81 118.95 126.48 1j3b s ARG 61 Ca 0.78 -0.98 -0.02 0.00 -0.13 0.00 0.00 55.73 55.38 1j3b s ARG 61 Cb -0.43 -5.23 -0.03 0.00 -1.56 0.00 0.00 34.95 27.69 1j3b s ARG 61 CO 0.34 -2.29 -0.00 -1.21 -0.81 0.00 0.00 175.30 171.34 1j3b s GLU 62 N 5.19 3.00 0.43 5.12 2.02 -1.26 -4.51 118.70 128.70 1j3b s GLU 62 Ca 0.47 -0.42 0.26 0.00 0.02 0.00 0.00 54.97 55.31 1j3b s GLU 62 Cb -0.01 -2.79 1.31 0.00 0.10 0.00 0.00 34.13 32.74 1j3b s GLU 62 CO -0.07 0.69 1.70 -1.35 0.02 0.00 0.00 175.26 176.24 1j3b h PRO 63 N 5.22 0.19 0.00 0.39 0.11 -2.00 -0.48 132.00 135.43 1j3b h PRO 63 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1j3b h PRO 63 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1j3b h PRO 63 CO 0.55 0.13 -0.16 0.93 -0.21 0.00 0.00 178.00 179.23 1j3b h GLU 64 N 0.20 0.00 -0.01 1.05 3.07 -1.99 -3.27 114.58 113.63 1j3b h GLU 64 Ca 0.71 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1j3b h GLU 64 Cb 2.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.05 1j3b h GLU 64 CO -0.32 0.16 -0.24 1.33 -1.40 0.00 0.00 179.01 178.54 1j3b n VAL 65 N -3.19 0.00 -0.35 3.13 0.24 -0.28 -4.72 118.33 113.15 1j3b n VAL 65 Ca 0.02 -0.38 0.02 0.00 -2.04 0.00 0.00 64.34 61.96 1j3b n VAL 65 Cb 0.51 1.16 0.08 0.00 -1.47 0.00 0.00 33.84 34.12 1j3b n VAL 65 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1j3b h GLU 66 N 1.47 -0.01 0.00 7.34 4.57 -1.36 -1.04 114.58 125.55 1j3b h GLU 66 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1j3b h GLU 66 Cb 0.43 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1j3b h GLU 66 CO 0.00 -0.01 -0.26 0.78 -1.18 0.00 0.00 179.01 178.34 1j3b h GLY 67 N -0.01 0.00 1.33 1.92 0.00 -1.84 -3.32 103.07 101.14 1j3b h GLY 67 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.44 1j3b h GLY 67 CO -0.97 0.00 -1.47 0.83 0.00 0.00 0.00 176.54 174.94 1j3b h GLU 68 N 0.00 0.13 -6.42 4.80 5.08 -1.54 -3.46 114.58 113.17 1j3b h GLU 68 Ca -0.00 -0.22 -0.54 0.00 -1.00 0.00 0.00 59.36 57.60 1j3b h GLU 68 Cb 0.99 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1j3b h GLU 68 CO 0.03 0.93 0.37 0.42 -1.00 0.00 0.00 179.01 179.76 1j3b s ILE 69 N -2.63 4.84 -0.76 3.13 -1.09 -0.80 -4.28 121.20 119.61 1j3b s ILE 69 Ca -0.06 2.06 -0.18 0.00 -2.23 0.00 0.00 60.65 60.24 1j3b s ILE 69 Cb 0.08 -4.32 0.13 0.00 -1.58 0.00 0.00 42.46 36.77 1j3b s ILE 69 CO 0.83 0.17 0.89 0.86 -1.23 0.00 0.00 174.94 176.46 1j3b s TRP 70 N 0.94 3.16 0.32 3.97 -0.00 -0.38 -4.95 118.94 122.00 1j3b s TRP 70 Ca 0.52 -1.28 -0.29 0.00 -0.00 0.00 0.00 56.10 55.05 1j3b s TRP 70 Cb -0.21 -4.10 -0.10 0.00 -0.00 0.00 0.00 33.47 29.06 1j3b s TRP 70 CO 0.28 -1.34 1.35 -1.58 -0.00 0.00 0.00 176.95 175.66 1j3b s TRP 71 N 2.32 2.98 -4.61 5.86 0.52 -1.26 -4.24 118.94 120.51 1j3b s TRP 71 Ca 0.21 1.32 0.00 0.00 0.02 0.00 0.00 56.10 57.65 1j3b s TRP 71 Cb -0.14 -3.75 0.00 0.00 -1.15 0.00 0.00 33.47 28.43 1j3b s TRP 71 CO -0.02 -2.13 0.00 0.41 0.02 0.00 0.00 176.95 175.23 1j3b n GLY 72 N 0.98 -0.50 0.25 0.98 0.00 -0.51 -4.90 105.19 101.49 1j3b n GLY 72 Ca 0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 1j3b n GLY 72 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j3b h GLU 73 N 0.00 -0.07 0.13 1.61 4.57 -2.03 -3.15 114.58 115.64 1j3b h GLU 73 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1j3b h GLU 73 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1j3b h GLU 73 CO 0.00 -0.05 -0.06 0.28 -1.18 0.00 0.00 179.01 178.00 1j3b h VAL 74 N -0.08 0.79 -2.99 0.32 2.07 -1.92 -3.42 116.25 111.02 1j3b h VAL 74 Ca 0.24 -1.26 -0.72 0.00 0.82 0.00 0.00 66.70 65.78 1j3b h VAL 74 Cb 0.44 1.38 -0.21 0.00 -1.52 0.00 0.00 31.29 31.38 1j3b h VAL 74 CO -0.55 0.23 0.10 0.20 0.02 0.00 0.00 177.57 177.56 1j3b s ASN 75 N -5.56 6.27 -0.20 0.57 0.01 -1.19 -4.91 114.94 109.93 1j3b s ASN 75 Ca -0.11 -1.66 -0.21 0.00 -0.71 0.00 0.00 52.86 50.17 1j3b s ASN 75 Cb -0.00 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 1j3b s ASN 75 CO 0.41 -1.01 0.63 -1.10 -1.51 0.00 0.00 177.10 174.52 1j3b s GLN 76 N 2.24 4.20 0.45 -0.60 -0.21 -1.25 -1.42 119.66 123.08 1j3b s GLN 76 Ca 0.12 0.62 -0.23 0.00 0.02 0.00 0.00 55.36 55.88 1j3b s GLN 76 Cb -0.23 -3.58 -0.08 0.00 1.00 0.00 0.00 33.01 30.12 1j3b s GLN 76 CO 0.03 -0.26 1.16 -1.25 -2.12 0.00 0.00 175.29 172.85 1j3b s PRO 77 N 1.97 3.82 -0.01 2.91 0.04 -1.26 -0.50 135.00 141.96 1j3b s PRO 77 Ca 0.29 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1j3b s PRO 77 Cb -0.16 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.95 1j3b s PRO 77 CO 0.10 -0.50 -0.01 0.12 0.04 0.00 0.00 177.00 176.75 1j3b s PHE 78 N -1.54 0.27 0.22 0.56 5.36 -0.93 -4.82 117.98 117.09 1j3b s PHE 78 Ca 0.62 -0.02 -0.30 0.00 -0.96 0.00 0.00 56.93 56.27 1j3b s PHE 78 Cb -0.28 -0.26 -0.09 0.00 -0.34 0.00 0.00 43.02 42.05 1j3b s PHE 78 CO 0.35 -0.06 1.33 0.00 -1.46 0.00 0.00 175.22 175.37 1j3b s ALA 79 N 0.41 3.54 0.46 11.12 0.00 -1.26 -0.79 121.76 135.23 1j3b s ALA 79 Ca -0.04 1.15 0.18 0.00 0.00 0.00 0.00 51.96 53.25 1j3b s ALA 79 Cb -0.07 -3.49 1.15 0.00 0.00 0.00 0.00 23.12 20.72 1j3b s ALA 79 CO -0.01 -0.57 1.96 -1.00 0.00 0.00 0.00 175.76 176.14 1j3b h PRO 80 N 5.17 0.28 -0.26 0.00 0.13 -1.94 0.83 132.00 136.21 1j3b h PRO 80 Ca -0.45 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1j3b h PRO 80 Cb 1.22 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1j3b h PRO 80 CO 0.76 0.18 -0.08 0.93 -0.23 0.00 0.00 178.00 179.57 1j3b h GLU 81 N 0.29 0.51 -0.52 0.86 3.07 -1.97 -0.66 114.58 116.15 1j3b h GLU 81 Ca 0.31 -0.20 -0.09 0.00 -0.50 0.00 0.00 59.36 58.88 1j3b h GLU 81 Cb 0.82 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1j3b h GLU 81 CO -0.07 0.74 -0.02 0.00 -1.40 0.00 0.00 179.01 178.25 1j3b h ALA 82 N 0.75 0.98 -0.31 3.43 0.00 -1.57 -1.55 119.26 120.99 1j3b h ALA 82 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1j3b h ALA 82 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1j3b h ALA 82 CO 0.03 0.62 0.11 0.35 0.00 0.00 0.00 179.25 180.36 1j3b h PHE 83 N 0.83 0.48 -0.55 0.00 3.57 -0.76 -2.07 116.94 118.43 1j3b h PHE 83 Ca 0.15 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1j3b h PHE 83 Cb 0.52 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1j3b h PHE 83 CO 0.03 0.48 0.18 1.49 -2.23 0.00 0.00 178.31 178.26 1j3b h GLU 84 N 0.34 0.85 -0.58 1.11 4.57 -0.96 0.16 114.58 120.08 1j3b h GLU 84 Ca 0.10 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1j3b h GLU 84 Cb 0.22 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1j3b h GLU 84 CO -0.01 0.77 0.36 0.00 -1.18 0.00 0.00 179.01 178.95 1j3b h ALA 85 N 1.04 0.73 -0.25 2.92 0.00 -1.19 0.43 119.26 122.95 1j3b h ALA 85 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1j3b h ALA 85 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1j3b h ALA 85 CO -0.01 0.20 -0.08 1.25 0.00 0.00 0.00 179.25 180.61 1j3b h LEU 86 N 0.78 0.50 -0.78 0.00 5.85 -1.20 -2.80 115.31 117.66 1j3b h LEU 86 Ca 0.21 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.63 1j3b h LEU 86 Cb -0.03 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 1j3b h LEU 86 CO -0.04 0.77 0.43 0.22 -0.34 0.00 0.00 178.44 179.48 1j3b h TYR 87 N 0.22 0.78 -0.54 1.25 3.20 -0.35 -0.97 116.97 120.57 1j3b h TYR 87 Ca 0.06 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1j3b h TYR 87 Cb 0.57 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1j3b h TYR 87 CO 0.06 0.32 0.04 1.96 -1.64 0.00 0.00 178.16 178.90 1j3b h GLN 88 N 0.74 0.88 -0.68 1.82 1.08 -0.84 -1.18 115.11 116.93 1j3b h GLN 88 Ca 0.37 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1j3b h GLN 88 Cb 0.33 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.63 1j3b h GLN 88 CO -0.24 0.85 0.20 0.00 -0.95 0.00 0.00 178.83 178.69 1j3b h ARG 89 N 0.82 1.05 -0.14 1.46 3.08 -1.01 -1.94 114.38 117.70 1j3b h ARG 89 Ca 0.16 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1j3b h ARG 89 Cb 0.43 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1j3b h ARG 89 CO 0.02 0.91 -0.07 0.28 -1.07 0.00 0.00 179.97 180.03 1j3b h VAL 90 N 1.01 1.32 -0.02 2.04 2.07 -0.71 -1.46 116.25 120.50 1j3b h VAL 90 Ca 0.22 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 1j3b h VAL 90 Cb 0.30 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1j3b h VAL 90 CO -0.01 0.33 -0.33 -0.37 0.02 0.00 0.00 177.57 177.21 1j3b h VAL 91 N -0.05 1.24 -0.47 2.57 -1.51 -1.20 0.32 116.25 117.16 1j3b h VAL 91 Ca 0.03 -1.16 -0.11 0.00 -1.23 0.00 0.00 66.70 64.24 1j3b h VAL 91 Cb 0.54 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1j3b h VAL 91 CO 0.02 0.33 -0.13 1.56 -1.23 0.00 0.00 177.57 178.12 1j3b h GLN 92 N 0.03 0.91 -0.03 5.19 4.20 -1.28 -0.90 115.11 123.23 1j3b h GLN 92 Ca 0.00 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 1j3b h GLN 92 Cb 0.60 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1j3b h GLN 92 CO 0.04 1.01 0.01 -0.92 -0.67 0.00 0.00 178.83 178.31 1j3b h TYR 93 N 0.75 0.04 -0.57 2.96 3.20 -0.36 -3.11 116.97 119.89 1j3b h TYR 93 Ca 0.12 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1j3b h TYR 93 Cb 0.69 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1j3b h TYR 93 CO 0.05 0.18 0.35 -0.07 -1.64 0.00 0.00 178.16 177.03 1j3b h LEU 94 N -0.11 0.67 -2.28 2.82 3.38 -0.27 -2.51 115.31 117.02 1j3b h LEU 94 Ca 0.01 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1j3b h LEU 94 Cb 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1j3b h LEU 94 CO -0.00 0.51 0.08 0.28 0.09 0.00 0.00 178.44 179.40 1j3b h SER 95 N 0.78 0.00 -0.02 -0.43 0.02 -1.09 -2.62 113.55 110.20 1j3b h SER 95 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1j3b h SER 95 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1j3b h SER 95 CO -0.04 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.03 1j3b n GLU 96 N -4.01 1.14 -4.07 3.45 -0.58 -0.94 -0.71 120.64 114.92 1j3b n GLU 96 Ca -0.01 -0.21 -0.10 0.00 -0.42 0.00 0.00 57.16 56.42 1j3b n GLU 96 Cb 0.18 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.61 1j3b n GLU 96 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1j3b s ARG 97 N -1.97 1.29 0.40 3.49 1.70 -0.99 -4.79 118.95 118.08 1j3b s ARG 97 Ca 0.34 -1.38 -0.25 0.00 -0.47 0.00 0.00 55.73 53.97 1j3b s ARG 97 Cb 0.16 0.36 -0.11 0.00 -0.57 0.00 0.00 34.95 34.80 1j3b s ARG 97 CO 0.27 -0.47 1.16 -0.25 -1.08 0.00 0.00 175.30 174.93 1j3b n ASP 98 N -0.28 2.03 -4.22 -2.89 10.43 -1.26 -4.58 116.55 115.78 1j3b n ASP 98 Ca -0.02 1.10 -0.19 0.00 2.57 0.00 0.00 54.79 58.24 1j3b n ASP 98 Cb 0.64 -1.43 -0.12 0.00 1.84 0.00 0.00 41.12 42.05 1j3b n ASP 98 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1j3b s LEU 99 N -1.07 2.32 -0.07 0.64 1.43 -0.26 -4.60 118.68 117.07 1j3b s LEU 99 Ca 0.61 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1j3b s LEU 99 Cb -0.54 -0.61 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 1j3b s LEU 99 CO 0.58 -0.07 -0.20 -0.31 0.23 0.00 0.00 176.35 176.58 1j3b s TYR 100 N -1.52 2.08 -0.03 0.29 1.51 0.83 -0.52 117.35 120.00 1j3b s TYR 100 Ca 0.03 -0.73 0.07 0.00 -1.01 0.00 0.00 57.07 55.43 1j3b s TYR 100 Cb -0.08 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 1j3b s TYR 100 CO 0.03 -0.28 -0.23 0.08 -1.11 0.00 0.00 175.55 174.03 1j3b s VAL 101 N 0.22 1.86 -0.09 0.71 1.01 0.22 -1.03 120.40 123.30 1j3b s VAL 101 Ca -0.11 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1j3b s VAL 101 Cb -0.15 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.70 1j3b s VAL 101 CO 0.05 0.53 -0.04 -1.10 0.00 0.00 0.00 175.10 174.54 1j3b s GLN 102 N -0.44 1.06 -0.32 2.72 -1.52 -0.02 -0.30 119.66 120.83 1j3b s GLN 102 Ca 0.06 -0.08 -0.15 0.00 -1.95 0.00 0.00 55.36 53.24 1j3b s GLN 102 Cb -0.10 -1.25 -0.02 0.00 -0.22 0.00 0.00 33.01 31.42 1j3b s GLN 102 CO 0.00 -0.27 0.38 -0.51 -0.25 0.00 0.00 175.29 174.65 1j3b s ASP 103 N 1.77 6.21 0.33 5.90 1.01 -1.26 -0.53 116.67 130.10 1j3b s ASP 103 Ca 0.04 -0.08 0.06 0.00 0.71 0.00 0.00 52.55 53.28 1j3b s ASP 103 Cb -0.13 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1j3b s ASP 103 CO -0.06 -0.32 0.22 0.18 0.21 0.00 0.00 175.17 175.40 1j3b n LEU 104 N 5.41 0.00 -4.09 1.23 4.77 0.98 -4.44 117.00 120.86 1j3b n LEU 104 Ca -0.08 -2.90 -0.19 0.00 -0.03 0.00 0.00 56.01 52.81 1j3b n LEU 104 Cb 0.50 1.35 -0.14 0.00 -2.33 0.00 0.00 43.42 42.79 1j3b n LEU 104 CO 0.40 -0.47 -0.45 -0.31 -1.33 0.00 0.00 177.39 175.23 1j3b s TYR 105 N -3.15 1.06 -0.18 -1.77 2.02 -0.02 0.76 117.35 116.06 1j3b s TYR 105 Ca 0.31 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1j3b s TYR 105 Cb 0.02 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 1j3b s TYR 105 CO 0.22 0.00 -0.08 0.00 -1.57 0.00 0.00 175.55 174.12 1j3b s ALA 106 N -0.62 2.73 0.00 3.71 0.00 -0.34 -0.80 121.76 126.43 1j3b s ALA 106 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1j3b s ALA 106 Cb -0.06 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1j3b s ALA 106 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1j3b n GLY 107 N 4.27 1.39 0.12 0.00 0.00 0.15 -0.31 105.19 110.80 1j3b n GLY 107 Ca -0.18 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.00 1j3b n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b h ALA 108 N 0.00 1.00 -2.09 4.61 0.00 -0.93 -3.38 119.26 118.47 1j3b h ALA 108 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1j3b h ALA 108 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1j3b h ALA 108 CO 0.00 0.00 0.47 0.34 0.00 0.00 0.00 179.25 180.06 1j3b s ASP 109 N -4.61 6.58 0.38 0.00 3.68 -1.26 -4.86 116.67 116.58 1j3b s ASP 109 Ca 0.09 0.36 0.21 0.00 2.13 0.00 0.00 52.55 55.34 1j3b s ASP 109 Cb 0.11 -2.42 1.24 0.00 -1.45 0.00 0.00 42.92 40.39 1j3b s ASP 109 CO 0.56 -0.83 1.65 -0.09 0.13 0.00 0.00 175.17 176.59 1j3b h ARG 110 N 8.59 0.20 0.00 4.34 9.65 -1.98 0.24 114.38 135.43 1j3b h ARG 110 Ca -0.24 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.57 1j3b h ARG 110 Cb 1.09 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 1j3b h ARG 110 CO 0.95 0.13 -0.27 -0.09 2.80 0.00 0.00 179.97 183.50 1j3b h ARG 111 N 0.21 0.00 -0.02 0.20 2.43 -1.95 -3.26 114.38 111.99 1j3b h ARG 111 Ca 0.76 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 1j3b h ARG 111 Cb 2.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1j3b h ARG 111 CO -0.53 0.27 0.00 0.66 -1.51 0.00 0.00 179.97 178.86 1j3b n TYR 112 N -4.07 0.02 -1.55 2.20 4.02 -0.05 -5.06 117.16 112.67 1j3b n TYR 112 Ca -0.02 -0.15 -0.40 0.00 -0.01 0.00 0.00 57.90 57.32 1j3b n TYR 112 Cb 0.33 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.66 1j3b n TYR 112 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1j3b n ARG 113 N -0.04 0.93 -4.31 -0.72 1.85 -0.48 -4.87 116.66 109.02 1j3b n ARG 113 Ca 0.01 0.35 -0.34 0.00 -1.00 0.00 0.00 57.85 56.87 1j3b n ARG 113 Cb 0.12 -1.91 -0.15 0.00 -1.05 0.00 0.00 32.46 29.47 1j3b n ARG 113 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1j3b s LEU 114 N -0.21 2.58 -0.13 2.89 2.96 0.58 -4.94 118.68 122.40 1j3b s LEU 114 Ca 0.67 -0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 1j3b s LEU 114 Cb -0.51 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1j3b s LEU 114 CO 0.54 0.05 1.18 0.00 -1.32 0.00 0.00 176.35 176.80 1j3b s ALA 115 N 1.02 3.58 -0.14 5.97 0.00 -1.26 -1.20 121.76 129.72 1j3b s ALA 115 Ca -0.01 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1j3b s ALA 115 Cb -0.15 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1j3b s ALA 115 CO -0.02 -0.94 -0.19 0.08 0.00 0.00 0.00 175.76 174.68 1j3b s VAL 116 N 2.82 1.88 -0.27 0.00 1.01 0.23 -0.37 120.40 125.70 1j3b s VAL 116 Ca 0.53 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1j3b s VAL 116 Cb -0.21 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1j3b s VAL 116 CO 0.16 0.51 0.13 -0.60 0.00 0.00 0.00 175.10 175.31 1j3b s ARG 117 N 1.02 3.80 -0.20 2.72 3.52 -0.55 -0.01 118.95 129.26 1j3b s ARG 117 Ca -0.03 -0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 55.10 1j3b s ARG 117 Cb -0.15 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1j3b s ARG 117 CO -0.05 -0.19 0.04 0.08 -0.81 0.00 0.00 175.30 174.37 1j3b s VAL 118 N 1.69 4.41 -0.17 7.11 1.01 0.31 -0.57 120.40 134.19 1j3b s VAL 118 Ca 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1j3b s VAL 118 Cb -0.16 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1j3b s VAL 118 CO 0.08 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 1j3b s VAL 119 N 0.77 2.05 0.03 2.92 1.01 0.17 -0.84 120.40 126.50 1j3b s VAL 119 Ca 0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1j3b s VAL 119 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1j3b s VAL 119 CO 0.02 0.54 0.07 0.28 0.00 0.00 0.00 175.10 176.01 1j3b s THR 120 N 1.22 0.13 -0.93 3.92 -1.32 -0.20 -0.39 115.64 118.07 1j3b s THR 120 Ca 0.03 -1.08 0.26 0.00 -1.21 0.00 0.00 61.69 59.69 1j3b s THR 120 Cb -0.13 -0.79 0.10 0.00 -1.51 0.00 0.00 72.50 70.16 1j3b s THR 120 CO -0.11 -0.60 1.58 -1.84 -2.21 0.00 0.00 174.62 171.44 1j3b n GLU 121 N 0.92 0.06 -3.72 7.08 0.28 -1.15 -0.12 120.64 123.99 1j3b n GLU 121 Ca -0.20 0.03 -0.37 0.00 -0.16 0.00 0.00 57.16 56.45 1j3b n GLU 121 Cb 0.58 -1.55 -0.12 0.00 1.43 0.00 0.00 31.44 31.78 1j3b n GLU 121 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j3b s SER 122 N -3.29 5.29 0.18 -1.84 0.15 -1.26 -4.84 113.70 108.10 1j3b s SER 122 Ca 0.11 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.16 1j3b s SER 122 Cb 0.17 -1.94 0.17 0.00 -1.71 0.00 0.00 66.02 62.71 1j3b s SER 122 CO 0.65 -0.14 1.72 -0.65 1.20 0.00 0.00 173.24 176.02 1j3b h PRO 123 N 8.28 0.23 0.00 5.44 0.11 -1.90 -2.02 132.00 142.14 1j3b h PRO 123 Ca -0.34 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1j3b h PRO 123 Cb 1.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1j3b h PRO 123 CO 0.60 0.15 -0.27 0.11 -0.21 0.00 0.00 178.00 178.38 1j3b h TRP 124 N 0.24 0.00 0.00 0.65 5.08 -1.95 -1.74 115.95 118.23 1j3b h TRP 124 Ca 0.24 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.09 1j3b h TRP 124 Cb 0.31 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.45 1j3b h TRP 124 CO -0.22 0.27 -0.57 0.45 -1.28 0.00 0.00 178.44 177.09 1j3b h HIS 125 N 0.00 0.00 -0.22 0.12 3.86 -1.81 0.71 115.15 117.82 1j3b h HIS 125 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1j3b h HIS 125 Cb 0.62 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1j3b h HIS 125 CO 0.00 0.57 -0.45 0.00 0.86 0.00 0.00 177.93 178.91 1j3b h ALA 126 N 1.43 0.80 -0.46 2.45 0.00 -0.86 -1.49 119.26 121.12 1j3b h ALA 126 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1j3b h ALA 126 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1j3b h ALA 126 CO 0.07 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.12 1j3b h LEU 127 N 0.45 0.90 -0.29 0.00 5.85 -0.82 -1.42 115.31 119.97 1j3b h LEU 127 Ca 0.03 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1j3b h LEU 127 Cb 0.97 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1j3b h LEU 127 CO 0.09 1.06 0.08 0.15 -0.34 0.00 0.00 178.44 179.48 1j3b h PHE 128 N 0.73 0.15 -0.83 1.25 3.04 -0.56 0.99 116.94 121.72 1j3b h PHE 128 Ca 0.12 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.07 1j3b h PHE 128 Cb 0.66 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.11 1j3b h PHE 128 CO 0.05 0.06 0.48 0.00 -2.02 0.00 0.00 178.31 176.88 1j3b h ALA 129 N 1.20 1.06 -0.79 2.41 0.00 -1.13 0.30 119.26 122.31 1j3b h ALA 129 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1j3b h ALA 129 Cb 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1j3b h ALA 129 CO -0.15 0.54 0.40 -0.09 0.00 0.00 0.00 179.25 179.95 1j3b h ARG 130 N 1.14 1.11 -0.04 0.00 2.43 -0.58 -1.11 114.38 117.34 1j3b h ARG 130 Ca 0.30 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1j3b h ARG 130 Cb -0.01 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1j3b h ARG 130 CO -0.05 0.84 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.23 1j3b h ASN 131 N 1.11 0.16 -0.67 -3.80 2.35 -0.05 -3.36 115.58 111.31 1j3b h ASN 131 Ca 0.27 -0.60 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 1j3b h ASN 131 Cb 0.07 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1j3b h ASN 131 CO -0.04 0.73 0.16 -0.03 -1.65 0.00 0.00 177.43 176.61 1j3b h MET 132 N -0.41 1.07 0.00 0.81 4.05 -0.28 -3.07 114.93 117.10 1j3b h MET 132 Ca -0.00 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1j3b h MET 132 Cb 0.71 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1j3b h MET 132 CO 0.02 0.96 0.00 1.19 0.23 0.00 0.00 176.91 179.31 1j3b n PHE 133 N -4.28 -0.53 -4.14 1.39 3.01 -0.44 -0.52 117.46 111.96 1j3b n PHE 133 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.16 1j3b n PHE 133 Cb 0.25 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.59 1j3b n PHE 133 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1j3b s ILE 134 N 1.72 3.56 0.40 4.37 1.01 0.02 -3.14 121.20 129.14 1j3b s ILE 134 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 59.95 1j3b s ILE 134 Cb 0.00 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 1j3b s ILE 134 CO 0.00 0.45 1.20 -0.76 0.00 0.00 0.00 174.94 175.82 1j3b s LEU 135 N 1.05 4.19 0.28 2.97 1.43 -1.26 -0.84 118.68 126.50 1j3b s LEU 135 Ca 0.01 2.41 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1j3b s LEU 135 Cb -0.15 -4.00 0.58 0.00 0.03 0.00 0.00 46.19 42.66 1j3b s LEU 135 CO 0.00 -0.72 1.78 -0.65 0.23 0.00 0.00 176.35 176.99 1j3b h PRO 136 N 2.64 0.70 0.00 1.29 0.11 -1.94 -0.78 132.00 134.02 1j3b h PRO 136 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1j3b h PRO 136 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j3b h PRO 136 CO 0.62 0.46 0.18 0.07 -0.21 0.00 0.00 178.00 179.13 1j3b h ARG 137 N 0.72 0.00 0.00 1.05 0.11 -1.92 0.20 114.38 114.54 1j3b h ARG 137 Ca 0.50 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.56 1j3b h ARG 137 Cb 0.68 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.76 1j3b h ARG 137 CO -0.35 0.00 -0.07 0.00 0.10 0.00 0.00 179.97 179.65 1j3b h ARG 138 N 0.00 0.00 -0.02 0.08 2.47 -1.51 -2.35 114.38 113.05 1j3b h ARG 138 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1j3b h ARG 138 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1j3b h ARG 138 CO 0.00 0.07 -0.13 1.19 0.56 0.00 0.00 179.97 181.65 1j3b n PHE 139 N -3.25 0.00 0.00 3.04 3.01 0.06 -5.06 117.46 115.26 1j3b n PHE 139 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1j3b n PHE 139 Cb 0.29 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1j3b n PHE 139 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j3b n GLY 140 N 1.35 3.08 0.01 1.37 0.00 -0.88 -4.81 105.19 105.31 1j3b n GLY 140 Ca 0.13 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.34 1j3b n GLY 140 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j3b n ASN 141 N 0.00 0.12 0.00 1.61 3.02 -1.26 -4.39 115.26 114.36 1j3b n ASN 141 Ca 0.00 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1j3b n ASN 141 Cb 0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1j3b n ASN 141 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1j3b n ASP 142 N -1.38 0.00 -4.35 6.41 5.68 -1.26 -4.73 116.55 116.91 1j3b n ASP 142 Ca 0.09 0.38 -0.42 0.00 -0.50 0.00 0.00 54.79 54.34 1j3b n ASP 142 Cb 0.31 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1j3b n ASP 142 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1j3b n ASP 143 N -0.61 -2.19 -4.95 -1.12 10.43 -1.26 -4.97 116.55 111.88 1j3b n ASP 143 Ca 0.00 0.86 -0.23 0.00 2.57 0.00 0.00 54.79 57.99 1j3b n ASP 143 Cb 0.00 -0.95 0.01 0.00 1.84 0.00 0.00 41.12 42.02 1j3b n ASP 143 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1j3b s GLU 144 N -1.16 3.07 -0.12 -1.24 8.01 -1.26 -5.04 118.70 120.95 1j3b s GLU 144 Ca 0.61 -0.46 -0.28 0.00 0.01 0.00 0.00 54.97 54.85 1j3b s GLU 144 Cb -0.65 -2.55 -0.26 0.00 -4.31 0.00 0.00 34.13 26.36 1j3b s GLU 144 CO 0.61 -0.28 0.82 0.28 0.01 0.00 0.00 175.26 176.69 1j3b h VAL 145 N 0.38 1.74 0.00 2.63 2.07 -1.97 -3.15 116.25 117.95 1j3b h VAL 145 Ca -0.46 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 64.76 1j3b h VAL 145 Cb 1.25 3.30 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 1j3b h VAL 145 CO 0.57 0.60 0.00 -0.08 0.02 0.00 0.00 177.57 178.69 1j3b h GLU 146 N -0.90 0.00 -0.00 1.57 4.57 -2.02 -2.70 114.58 115.11 1j3b h GLU 146 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1j3b h GLU 146 Cb 1.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1j3b h GLU 146 CO 0.02 0.00 -0.14 0.00 -1.18 0.00 0.00 179.01 177.70 1j3b n ALA 147 N -2.08 2.69 -1.68 2.92 0.00 -1.24 -4.87 120.51 116.25 1j3b n ALA 147 Ca 0.01 -0.18 -0.44 0.00 0.00 0.00 0.00 53.44 52.83 1j3b n ALA 147 Cb 0.31 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1j3b n ALA 147 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j3b n PHE 148 N -1.48 2.48 -3.79 0.00 -0.00 -1.02 -4.91 117.46 108.74 1j3b n PHE 148 Ca 0.07 -0.13 -0.36 0.00 -0.00 0.00 0.00 57.45 57.02 1j3b n PHE 148 Cb 0.33 -2.72 -0.12 0.00 -0.00 0.00 0.00 39.48 36.98 1j3b n PHE 148 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1j3b s VAL 149 N 3.42 3.36 0.26 -2.13 1.01 -1.26 -5.07 120.40 119.99 1j3b s VAL 149 Ca 0.87 -1.67 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 1j3b s VAL 149 Cb -0.55 -3.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 1j3b s VAL 149 CO 0.43 -0.43 1.51 -2.65 0.00 0.00 0.00 175.10 173.96 1j3b n PRO 150 N 4.66 2.38 0.00 2.72 -0.02 -1.26 -4.73 135.00 138.75 1j3b n PRO 150 Ca -0.08 0.85 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 1j3b n PRO 150 Cb 0.42 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 1j3b n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j3b n GLY 151 N 2.28 -0.67 3.61 -1.23 0.00 0.50 -4.94 105.19 104.73 1j3b n GLY 151 Ca 0.10 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1j3b n GLY 151 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j3b s PHE 152 N -2.70 -0.47 -0.01 1.61 2.19 -0.96 -4.90 117.98 112.74 1j3b s PHE 152 Ca 0.08 1.04 0.05 0.00 0.33 0.00 0.00 56.93 58.43 1j3b s PHE 152 Cb 0.14 0.39 -0.01 0.00 -1.31 0.00 0.00 43.02 42.23 1j3b s PHE 152 CO 0.73 -0.29 -0.16 0.99 1.83 0.00 0.00 175.22 178.32 1j3b s THR 153 N -0.25 1.26 -0.21 0.12 2.01 -0.70 -1.48 115.64 116.40 1j3b s THR 153 Ca 0.01 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1j3b s THR 153 Cb -0.03 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 1j3b s THR 153 CO -0.02 0.36 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.55 1j3b s VAL 154 N -0.35 3.60 -0.37 3.82 1.01 0.26 -1.22 120.40 127.14 1j3b s VAL 154 Ca 0.06 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1j3b s VAL 154 Cb -0.06 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.73 1j3b s VAL 154 CO -0.01 0.42 0.19 -0.69 0.00 0.00 0.00 175.10 175.02 1j3b s VAL 155 N 1.28 4.24 -0.32 2.92 1.01 0.05 -0.66 120.40 128.93 1j3b s VAL 155 Ca 0.04 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1j3b s VAL 155 Cb -0.14 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1j3b s VAL 155 CO -0.01 -0.29 0.06 -2.28 0.00 0.00 0.00 175.10 172.59 1j3b s HIS 156 N 1.47 3.27 -0.56 5.22 2.46 0.48 -0.90 115.29 126.74 1j3b s HIS 156 Ca 0.01 -1.67 0.06 0.00 0.47 0.00 0.00 55.06 53.93 1j3b s HIS 156 Cb -0.20 -2.23 0.22 0.00 -0.13 0.00 0.00 32.58 30.24 1j3b s HIS 156 CO 0.04 -0.77 0.58 0.00 -2.47 0.00 0.00 174.74 172.12 1j3b n ALA 157 N 4.72 3.33 0.15 1.58 0.00 0.91 -2.95 120.51 128.25 1j3b n ALA 157 Ca -0.12 -4.12 0.14 0.00 0.00 0.00 0.00 53.44 49.34 1j3b n ALA 157 Cb 0.44 -0.88 0.70 0.00 0.00 0.00 0.00 19.45 19.70 1j3b n ALA 157 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j3b h PRO 158 N 4.59 0.00 0.00 0.00 0.13 -1.79 -1.52 132.00 133.41 1j3b h PRO 158 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1j3b h PRO 158 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1j3b h PRO 158 CO 0.65 0.00 -0.22 0.66 -0.23 0.00 0.00 178.00 178.86 1j3b n TYR 159 N -4.35 0.40 -2.74 1.56 4.02 -1.26 -2.56 117.16 112.23 1j3b n TYR 159 Ca 0.03 0.11 -0.42 0.00 -0.01 0.00 0.00 57.90 57.61 1j3b n TYR 159 Cb 0.33 -0.62 -0.03 0.00 -0.02 0.00 0.00 39.34 39.00 1j3b n TYR 159 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1j3b s PHE 160 N -3.06 3.64 -0.19 -0.72 2.19 -0.58 -4.86 117.98 114.39 1j3b s PHE 160 Ca 0.11 1.65 -0.03 0.00 0.33 0.00 0.00 56.93 58.99 1j3b s PHE 160 Cb 0.16 -3.10 -0.01 0.00 -1.31 0.00 0.00 43.02 38.75 1j3b s PHE 160 CO 0.62 -0.02 -0.06 -0.65 1.83 0.00 0.00 175.22 176.95 1j3b s GLN 161 N 1.06 3.44 0.64 10.12 -0.21 -1.26 0.41 119.66 133.85 1j3b s GLN 161 Ca 0.51 -0.61 -0.15 0.00 0.02 0.00 0.00 55.36 55.12 1j3b s GLN 161 Cb -0.21 -2.93 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1j3b s GLN 161 CO 0.26 -0.04 1.09 0.00 -2.12 0.00 0.00 175.29 174.48 1j3b s ALA 162 N 1.06 2.59 -0.29 6.09 0.00 -0.48 -5.00 121.76 125.72 1j3b s ALA 162 Ca 0.01 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.45 1j3b s ALA 162 Cb -0.15 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.78 1j3b s ALA 162 CO -0.00 -1.09 -0.02 0.08 0.00 0.00 0.00 175.76 174.72 1j3b s VAL 163 N -2.43 1.97 0.20 0.00 1.01 -1.26 -3.88 120.40 116.00 1j3b s VAL 163 Ca 0.65 -1.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 1j3b s VAL 163 Cb -0.18 -2.27 0.16 0.00 0.00 0.00 0.00 36.38 34.09 1j3b s VAL 163 CO 0.41 -0.30 1.40 -2.65 0.00 0.00 0.00 175.10 173.95 1j3b n PRO 164 N 4.45 -0.25 0.23 2.72 -0.02 -1.26 0.53 135.00 141.41 1j3b n PRO 164 Ca -0.06 1.38 0.06 0.00 -2.02 0.00 0.00 63.50 62.86 1j3b n PRO 164 Cb 0.42 -2.05 0.53 0.00 -0.02 0.00 0.00 33.50 32.39 1j3b n PRO 164 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1j3b h GLU 165 N 0.00 0.00 0.12 -0.52 4.81 -1.96 0.30 114.58 117.33 1j3b h GLU 165 Ca 0.28 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.15 1j3b h GLU 165 Cb 0.51 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1j3b h GLU 165 CO -0.89 0.14 -2.00 -2.13 -0.73 0.00 0.00 179.01 173.41 1j3b n ARG 166 N -4.36 0.76 -0.00 1.92 0.63 0.31 -4.53 116.66 111.37 1j3b n ARG 166 Ca -0.03 0.26 0.10 0.00 -0.92 0.00 0.00 57.85 57.27 1j3b n ARG 166 Cb 0.21 -1.71 -0.13 0.00 0.45 0.00 0.00 32.46 31.28 1j3b n ARG 166 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1j3b n ASP 167 N -3.50 0.72 0.00 6.15 10.43 0.19 -4.98 116.55 125.56 1j3b n ASP 167 Ca -0.32 -0.71 0.00 0.00 2.57 0.00 0.00 54.79 56.32 1j3b n ASP 167 Cb 1.04 1.27 0.00 0.00 1.84 0.00 0.00 41.12 45.27 1j3b n ASP 167 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j3b n GLY 168 N 1.43 0.46 3.94 0.44 0.00 0.11 -4.88 105.19 106.69 1j3b n GLY 168 Ca 0.02 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1j3b n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3b s THR 169 N -2.00 2.24 0.02 2.61 -4.23 -1.22 -5.02 115.64 108.04 1j3b s THR 169 Ca 0.00 -0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.11 1j3b s THR 169 Cb 0.00 -2.93 -0.32 0.00 1.34 0.00 0.00 72.50 70.59 1j3b s THR 169 CO 0.00 0.00 0.95 -0.09 -0.54 0.00 0.00 174.62 174.94 1j3b h ARG 170 N -0.68 0.39 0.00 3.99 2.43 -1.88 -3.40 114.38 115.23 1j3b h ARG 170 Ca -0.43 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.06 1j3b h ARG 170 Cb 1.30 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1j3b h ARG 170 CO 0.54 1.30 0.00 -1.13 -1.51 0.00 0.00 179.97 179.17 1j3b n SER 171 N -3.60 0.00 0.05 -3.80 3.41 -1.26 -4.85 113.62 103.57 1j3b n SER 171 Ca -0.16 -0.33 0.12 0.00 -0.26 0.00 0.00 58.87 58.24 1j3b n SER 171 Cb 1.07 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 65.49 1j3b n SER 171 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1j3b n GLU 172 N 0.00 0.09 -3.70 4.33 0.28 -1.25 -4.40 120.64 116.00 1j3b n GLU 172 Ca 0.00 0.19 -0.37 0.00 -0.16 0.00 0.00 57.16 56.82 1j3b n GLU 172 Cb 0.00 -1.64 -0.06 0.00 1.43 0.00 0.00 31.44 31.17 1j3b n GLU 172 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1j3b s VAL 173 N -3.08 5.28 -0.16 3.84 1.01 -1.26 -1.39 120.40 124.64 1j3b s VAL 173 Ca 0.10 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1j3b s VAL 173 Cb 0.13 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 33.02 1j3b s VAL 173 CO 0.45 0.60 0.38 0.12 0.00 0.00 0.00 175.10 176.65 1j3b s PHE 174 N -1.04 -0.56 -0.28 5.22 2.19 -0.85 -4.71 117.98 117.95 1j3b s PHE 174 Ca 0.19 1.21 -0.01 0.00 0.33 0.00 0.00 56.93 58.66 1j3b s PHE 174 Cb -0.14 0.23 0.09 0.00 -1.31 0.00 0.00 43.02 41.89 1j3b s PHE 174 CO 0.08 -0.33 0.06 0.08 1.83 0.00 0.00 175.22 176.95 1j3b s VAL 175 N 1.40 0.98 -0.06 3.12 1.01 -0.32 -1.42 120.40 125.11 1j3b s VAL 175 Ca -0.09 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 60.68 1j3b s VAL 175 Cb -0.09 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1j3b s VAL 175 CO -0.12 -0.50 -0.24 -0.83 0.00 0.00 0.00 175.10 173.41 1j3b s GLY 176 N 1.59 1.31 -0.17 4.51 0.00 0.14 0.06 107.32 114.77 1j3b s GLY 176 Ca 0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 1j3b s GLY 176 CO -0.18 -0.63 -0.12 -0.42 0.00 0.00 0.00 173.10 171.76 1j3b s ILE 177 N -0.15 2.95 -0.33 0.90 1.01 -0.62 0.09 121.20 125.07 1j3b s ILE 177 Ca -0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 1j3b s ILE 177 Cb -0.14 -2.28 0.07 0.00 0.01 0.00 0.00 42.46 40.13 1j3b s ILE 177 CO 0.04 0.49 0.04 -0.55 0.00 0.00 0.00 174.94 174.96 1j3b s SER 178 N 0.92 4.90 0.27 3.58 0.15 0.69 -1.23 113.70 122.97 1j3b s SER 178 Ca -0.02 -1.60 0.06 0.00 0.70 0.00 0.00 55.95 55.08 1j3b s SER 178 Cb -0.15 -1.70 0.35 0.00 -1.71 0.00 0.00 66.02 62.80 1j3b s SER 178 CO -0.01 -0.34 1.62 -0.26 1.20 0.00 0.00 173.24 175.46 1j3b h PHE 179 N 7.92 0.24 -0.31 3.44 -1.00 -1.87 0.20 116.94 125.55 1j3b h PHE 179 Ca -0.16 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.48 1j3b h PHE 179 Cb 1.05 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 1j3b h PHE 179 CO 0.58 0.69 -0.01 0.37 -1.61 0.00 0.00 178.31 178.33 1j3b h GLN 180 N 0.15 0.56 -0.01 1.51 4.15 -1.93 -2.88 115.11 116.66 1j3b h GLN 180 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1j3b h GLN 180 Cb 1.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1j3b h GLN 180 CO 0.08 0.71 -0.19 0.54 -1.93 0.00 0.00 178.83 178.04 1j3b n ARG 181 N -4.54 0.87 -3.61 1.69 1.74 -1.19 -4.94 116.66 106.67 1j3b n ARG 181 Ca -0.02 -0.45 -0.21 0.00 -0.77 0.00 0.00 57.85 56.40 1j3b n ARG 181 Cb 0.27 -1.49 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 1j3b n ARG 181 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3b n ARG 182 N -0.67 -5.78 -4.30 5.56 1.74 0.53 -4.90 116.66 108.84 1j3b n ARG 182 Ca 0.14 0.71 -0.21 0.00 -0.77 0.00 0.00 57.85 57.72 1j3b n ARG 182 Cb 0.33 -5.50 -0.13 0.00 -1.02 0.00 0.00 32.46 26.14 1j3b n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1j3b s LEU 183 N -6.66 2.24 -0.17 0.55 1.43 -0.22 -1.71 118.68 114.14 1j3b s LEU 183 Ca 0.09 -0.58 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1j3b s LEU 183 Cb -0.04 -0.67 0.04 0.00 0.03 0.00 0.00 46.19 45.55 1j3b s LEU 183 CO 0.78 0.01 -0.07 -0.69 0.23 0.00 0.00 176.35 176.61 1j3b s VAL 184 N -1.08 1.23 -0.20 -1.59 1.01 -0.36 -0.23 120.40 119.18 1j3b s VAL 184 Ca 0.02 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1j3b s VAL 184 Cb -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1j3b s VAL 184 CO 0.02 0.15 0.05 -0.22 0.00 0.00 0.00 175.10 175.11 1j3b s LEU 185 N 1.58 3.62 -0.09 3.92 2.96 0.11 -0.77 118.68 130.02 1j3b s LEU 185 Ca 0.01 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1j3b s LEU 185 Cb -0.15 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.63 1j3b s LEU 185 CO -0.08 0.10 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.35 1j3b s ILE 186 N 0.79 0.93 0.06 6.68 1.01 -0.08 -0.68 121.20 129.91 1j3b s ILE 186 Ca 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 1j3b s ILE 186 Cb -0.14 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1j3b s ILE 186 CO 0.02 0.34 0.03 0.68 0.00 0.00 0.00 174.94 176.00 1j3b s VAL 187 N 1.33 0.20 0.00 2.92 -7.23 -0.51 -0.07 120.40 117.04 1j3b s VAL 187 Ca -0.03 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1j3b s VAL 187 Cb -0.14 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.35 1j3b s VAL 187 CO -0.03 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.46 1j3b n GLY 188 N 0.09 2.66 3.03 2.32 0.00 0.17 -2.01 105.19 111.45 1j3b n GLY 188 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1j3b n GLY 188 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j3b s THR 189 N -2.45 0.87 -1.58 2.61 -1.32 -1.23 -4.71 115.64 107.84 1j3b s THR 189 Ca 0.00 -0.42 0.24 0.00 -1.21 0.00 0.00 61.69 60.29 1j3b s THR 189 Cb 0.00 -0.76 0.02 0.00 -1.51 0.00 0.00 72.50 70.26 1j3b s THR 189 CO 0.00 0.26 1.23 0.29 -2.21 0.00 0.00 174.62 174.20 1j3b n LYS 190 N 3.15 0.66 -1.64 7.08 5.02 -1.26 -4.49 118.16 126.68 1j3b n LYS 190 Ca -0.17 -0.49 -0.44 0.00 -2.02 0.00 0.00 58.31 55.19 1j3b n LYS 190 Cb 0.55 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1j3b n LYS 190 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1j3b n TYR 191 N -0.74 2.29 0.18 2.13 9.36 -1.26 -4.85 117.16 124.27 1j3b n TYR 191 Ca 0.08 -0.23 0.06 0.00 3.32 0.00 0.00 57.90 61.14 1j3b n TYR 191 Cb 0.38 -2.75 0.55 0.00 -0.63 0.00 0.00 39.34 36.89 1j3b n TYR 191 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1j3b h ALA 192 N 11.84 1.85 -0.43 2.98 0.00 -1.92 -2.48 119.26 131.10 1j3b h ALA 192 Ca -0.46 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.53 1j3b h ALA 192 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1j3b h ALA 192 CO 0.95 0.12 0.39 0.78 0.00 0.00 0.00 179.25 181.49 1j3b h GLY 193 N 0.26 0.00 1.18 0.00 0.00 -1.96 -0.36 103.07 102.18 1j3b h GLY 193 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1j3b h GLY 193 CO -0.00 0.00 0.37 0.83 0.00 0.00 0.00 176.54 177.74 1j3b h GLU 194 N 0.00 1.07 0.08 4.80 4.39 -1.83 0.19 114.58 123.29 1j3b h GLU 194 Ca 0.20 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1j3b h GLU 194 Cb 0.98 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1j3b h GLU 194 CO -0.00 0.81 -0.04 0.82 -1.16 0.00 0.00 179.01 179.44 1j3b h ILE 195 N 1.07 1.14 0.06 3.13 2.04 -1.25 -1.64 117.51 122.06 1j3b h ILE 195 Ca 0.26 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1j3b h ILE 195 Cb 0.09 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1j3b h ILE 195 CO -0.04 0.21 -0.14 0.50 0.00 0.00 0.00 178.15 178.69 1j3b h LYS 196 N -0.51 -0.26 0.00 2.37 3.64 -1.25 -2.71 116.57 117.85 1j3b h LYS 196 Ca -0.01 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1j3b h LYS 196 Cb 0.43 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1j3b h LYS 196 CO 0.02 -0.17 -0.44 0.87 -2.27 0.00 0.00 179.45 177.46 1j3b h LYS 197 N -0.27 0.00 -0.41 1.90 1.79 -0.70 -1.79 116.57 117.09 1j3b h LYS 197 Ca 0.03 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 1j3b h LYS 197 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1j3b h LYS 197 CO -0.09 0.44 -0.33 0.66 -1.08 0.00 0.00 179.45 179.05 1j3b h SER 198 N 0.00 0.98 -0.11 0.86 4.64 -1.21 -0.05 113.55 118.66 1j3b h SER 198 Ca -0.00 -0.42 -0.14 0.00 -0.47 0.00 0.00 61.79 60.75 1j3b h SER 198 Cb 0.97 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1j3b h SER 198 CO 0.06 1.21 -0.42 0.40 -0.87 0.00 0.00 176.83 177.21 1j3b h ILE 199 N 0.78 1.30 -0.67 0.95 1.08 -1.39 -1.59 117.51 117.96 1j3b h ILE 199 Ca 0.08 -1.60 -0.02 0.00 -0.39 0.00 0.00 64.86 62.93 1j3b h ILE 199 Cb 0.91 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 1j3b h ILE 199 CO 0.08 0.51 0.35 0.15 -0.69 0.00 0.00 178.15 178.56 1j3b h PHE 200 N 0.53 0.94 -0.86 1.37 3.57 -1.11 -0.58 116.94 120.81 1j3b h PHE 200 Ca 0.04 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1j3b h PHE 200 Cb 0.95 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1j3b h PHE 200 CO 0.04 0.69 0.56 1.15 -2.23 0.00 0.00 178.31 178.52 1j3b h THR 201 N 0.93 1.17 -0.21 4.41 2.02 -0.65 0.31 112.91 120.88 1j3b h THR 201 Ca 0.24 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1j3b h THR 201 Cb 0.07 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1j3b h THR 201 CO -0.03 0.20 0.11 0.58 0.37 0.00 0.00 175.52 176.74 1j3b h VAL 202 N 1.11 1.13 -0.23 3.16 2.07 -0.62 -2.08 116.25 120.79 1j3b h VAL 202 Ca 0.33 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1j3b h VAL 202 Cb -0.04 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1j3b h VAL 202 CO -0.10 0.12 0.14 0.24 0.02 0.00 0.00 177.57 178.00 1j3b h MET 203 N 0.22 0.30 0.00 1.57 2.07 -0.40 0.78 114.93 119.47 1j3b h MET 203 Ca 0.07 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.68 1j3b h MET 203 Cb 0.10 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.77 1j3b h MET 203 CO -0.01 0.21 0.00 0.09 1.07 0.00 0.00 176.91 178.27 1j3b n ASN 204 N -4.49 0.00 -0.08 1.22 3.02 0.03 -1.38 115.26 113.57 1j3b n ASN 204 Ca 0.00 -0.13 -0.17 0.00 -0.03 0.00 0.00 54.58 54.25 1j3b n ASN 204 Cb 0.08 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1j3b n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3b n TYR 205 N -1.21 0.00 -0.14 3.10 9.36 0.10 -4.57 117.16 123.80 1j3b n TYR 205 Ca 0.10 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.20 1j3b n TYR 205 Cb 0.12 -0.60 0.01 0.00 -0.63 0.00 0.00 39.34 38.24 1j3b n TYR 205 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1j3b h LEU 206 N -0.66 0.99 -0.32 2.98 3.38 -1.05 -3.23 115.31 117.40 1j3b h LEU 206 Ca -0.38 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 1j3b h LEU 206 Cb 1.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1j3b h LEU 206 CO -0.23 1.19 0.15 0.24 0.09 0.00 0.00 178.44 179.87 1j3b h MET 207 N 0.82 0.46 -0.41 1.13 2.86 -1.47 -2.44 114.93 115.88 1j3b h MET 207 Ca 0.10 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1j3b h MET 207 Cb 0.84 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1j3b h MET 207 CO 0.07 0.43 0.27 -1.35 1.06 0.00 0.00 176.91 177.40 1j3b h PRO 208 N 0.37 0.45 0.00 -0.22 0.11 -1.56 0.11 132.00 131.26 1j3b h PRO 208 Ca 0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1j3b h PRO 208 Cb 0.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1j3b h PRO 208 CO -0.01 0.30 0.00 0.87 -0.21 0.00 0.00 178.00 178.95 1j3b h LYS 209 N 0.47 0.00 -0.39 1.05 1.57 -1.46 -1.18 116.57 116.63 1j3b h LYS 209 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1j3b h LYS 209 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1j3b h LYS 209 CO -0.04 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.38 1j3b n ARG 210 N -2.96 3.01 -0.95 3.15 1.74 0.09 -4.95 116.66 115.79 1j3b n ARG 210 Ca -0.01 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.65 1j3b n ARG 210 Cb 0.18 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1j3b n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3b n GLY 211 N 0.39 0.78 3.70 -0.13 0.00 -0.44 -5.02 105.19 104.47 1j3b n GLY 211 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1j3b n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 212 N -3.07 5.19 -0.41 1.61 1.01 0.15 -4.85 120.40 120.02 1j3b s VAL 212 Ca 0.00 0.88 -0.26 0.00 0.00 0.00 0.00 61.98 62.60 1j3b s VAL 212 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1j3b s VAL 212 CO 0.00 0.29 0.95 0.12 0.00 0.00 0.00 175.10 176.47 1j3b s PHE 213 N 0.89 2.99 0.25 5.22 5.36 -0.90 -2.53 117.98 129.27 1j3b s PHE 213 Ca 0.24 0.64 -0.24 0.00 -0.96 0.00 0.00 56.93 56.61 1j3b s PHE 213 Cb -0.15 -3.85 -0.09 0.00 -0.34 0.00 0.00 43.02 38.59 1j3b s PHE 213 CO 0.09 -0.97 0.83 -1.25 -1.46 0.00 0.00 175.22 172.46 1j3b s PRO 214 N 3.69 4.48 -0.01 10.12 0.04 -1.26 -0.03 135.00 152.02 1j3b s PRO 214 Ca 0.39 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1j3b s PRO 214 Cb -0.11 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1j3b s PRO 214 CO 0.23 0.39 -0.04 -1.64 0.04 0.00 0.00 177.00 175.98 1j3b s MET 215 N -1.80 0.43 -0.87 4.56 -1.94 0.79 -4.96 119.30 115.51 1j3b s MET 215 Ca 0.44 -0.14 -0.16 0.00 -1.71 0.00 0.00 55.69 54.12 1j3b s MET 215 Cb -0.19 -0.43 0.17 0.00 2.01 0.00 0.00 34.83 36.39 1j3b s MET 215 CO 0.24 0.06 0.94 -1.58 -0.01 0.00 0.00 175.02 174.67 1j3b s HIS 216 N 0.10 3.42 0.15 -0.03 2.46 -1.26 -1.87 115.29 118.26 1j3b s HIS 216 Ca -0.01 -1.66 -0.24 0.00 0.47 0.00 0.00 55.06 53.62 1j3b s HIS 216 Cb -0.04 -4.05 0.06 0.00 -0.13 0.00 0.00 32.58 28.42 1j3b s HIS 216 CO -0.00 -1.24 0.80 0.00 -2.47 0.00 0.00 174.74 171.82 1j3b s ALA 217 N 1.47 -1.57 0.39 1.58 0.00 -0.36 -4.62 121.76 118.65 1j3b s ALA 217 Ca 0.25 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1j3b s ALA 217 Cb -0.08 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1j3b s ALA 217 CO -0.08 -0.90 0.55 -1.54 0.00 0.00 0.00 175.76 173.79 1j3b s SER 218 N -2.79 5.80 -0.24 0.00 1.04 -0.53 -3.14 113.70 113.85 1j3b s SER 218 Ca 0.08 -0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.08 1j3b s SER 218 Cb -0.02 -1.06 0.06 0.00 0.10 0.00 0.00 66.02 65.10 1j3b s SER 218 CO -0.03 -0.62 0.67 0.00 0.98 0.00 0.00 173.24 174.24 1j3b s ALA 219 N -2.32 -1.65 0.23 5.32 0.00 -0.68 -1.10 121.76 121.57 1j3b s ALA 219 Ca 0.49 1.84 0.01 0.00 0.00 0.00 0.00 51.96 54.30 1j3b s ALA 219 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1j3b s ALA 219 CO 0.33 -0.32 0.14 0.54 0.00 0.00 0.00 175.76 176.45 1j3b s ASN 220 N 0.25 0.62 0.00 0.00 2.20 -0.75 -0.01 114.94 117.25 1j3b s ASN 220 Ca -0.01 -1.43 0.03 0.00 -0.94 0.00 0.00 52.86 50.50 1j3b s ASN 220 Cb -0.04 0.35 -0.01 0.00 -2.00 0.00 0.00 41.25 39.55 1j3b s ASN 220 CO 0.01 -0.84 -0.08 0.54 -2.94 0.00 0.00 177.10 173.79 1j3b s VAL 221 N -3.97 0.65 0.84 3.54 0.11 -0.08 -1.33 120.40 120.15 1j3b s VAL 221 Ca 0.39 -0.46 -0.12 0.00 -2.93 0.00 0.00 61.98 58.85 1j3b s VAL 221 Cb 0.07 -0.57 0.10 0.00 -1.53 0.00 0.00 36.38 34.45 1j3b s VAL 221 CO 0.14 0.11 1.18 -0.83 -3.33 0.00 0.00 175.10 172.37 1j3b s GLY 222 N -0.39 1.60 0.53 6.54 0.00 0.22 -2.45 107.32 113.37 1j3b s GLY 222 Ca 0.02 -0.68 0.19 0.00 0.00 0.00 0.00 44.72 44.25 1j3b s GLY 222 CO -0.00 -0.15 2.16 0.50 0.00 0.00 0.00 173.10 175.61 1j3b h LYS 223 N -1.17 0.00 -0.05 2.90 1.79 -1.90 0.46 116.57 118.59 1j3b h LYS 223 Ca -0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1j3b h LYS 223 Cb 1.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1j3b h LYS 223 CO 0.63 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.39 1j3b n GLU 224 N -4.41 1.44 -0.52 3.15 -0.58 -1.26 -4.91 120.64 113.54 1j3b n GLU 224 Ca -0.03 -0.65 0.00 0.00 -0.42 0.00 0.00 57.16 56.07 1j3b n GLU 224 Cb 0.10 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1j3b n GLU 224 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j3b n GLY 225 N 1.06 0.75 3.68 0.62 0.00 0.15 -5.04 105.19 106.41 1j3b n GLY 225 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1j3b n GLY 225 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j3b s ASP 226 N -2.29 7.16 0.09 1.61 -4.77 -1.26 -4.65 116.67 112.55 1j3b s ASP 226 Ca 0.00 1.55 -0.16 0.00 -3.30 0.00 0.00 52.55 50.64 1j3b s ASP 226 Cb 0.00 -2.55 -0.07 0.00 -1.09 0.00 0.00 42.92 39.21 1j3b s ASP 226 CO 0.00 -0.54 0.52 -0.69 0.70 0.00 0.00 175.17 175.16 1j3b s VAL 227 N 2.43 4.85 -0.03 2.11 1.01 -1.26 -0.61 120.40 128.91 1j3b s VAL 227 Ca 0.49 0.97 0.05 0.00 0.00 0.00 0.00 61.98 63.48 1j3b s VAL 227 Cb -0.19 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1j3b s VAL 227 CO 0.15 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.53 1j3b s ALA 228 N -1.25 1.39 -0.06 5.51 0.00 -0.45 -0.22 121.76 126.69 1j3b s ALA 228 Ca 0.31 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1j3b s ALA 228 Cb -0.17 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1j3b s ALA 228 CO 0.18 0.29 -0.24 0.08 0.00 0.00 0.00 175.76 176.07 1j3b s VAL 229 N -0.16 1.98 -0.15 0.00 1.01 -0.42 -1.81 120.40 120.86 1j3b s VAL 229 Ca 0.01 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1j3b s VAL 229 Cb -0.09 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1j3b s VAL 229 CO 0.01 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.08 1j3b s PHE 230 N -0.07 2.69 -0.09 5.22 0.40 -0.25 -0.13 117.98 125.74 1j3b s PHE 230 Ca -0.06 -1.42 0.00 0.00 -0.60 0.00 0.00 56.93 54.85 1j3b s PHE 230 Cb -0.14 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1j3b s PHE 230 CO 0.04 -0.67 -0.07 -0.06 0.70 0.00 0.00 175.22 175.16 1j3b s PHE 231 N 0.94 2.93 0.00 0.36 0.40 0.87 -1.46 117.98 122.03 1j3b s PHE 231 Ca -0.04 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1j3b s PHE 231 Cb -0.15 -1.76 0.00 0.00 0.51 0.00 0.00 43.02 41.62 1j3b s PHE 231 CO -0.05 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.50 1j3b n GLY 232 N 2.56 1.61 3.71 4.36 0.00 -1.26 -0.00 105.19 116.17 1j3b n GLY 232 Ca -0.18 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1j3b n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j3b s LEU 233 N 0.00 2.04 0.35 0.99 1.43 -1.26 -4.85 118.68 117.37 1j3b s LEU 233 Ca 0.00 1.33 -0.27 0.00 -1.03 0.00 0.00 54.13 54.16 1j3b s LEU 233 Cb 0.00 -3.68 -0.12 0.00 0.03 0.00 0.00 46.19 42.41 1j3b s LEU 233 CO 0.00 -2.75 1.13 -1.54 0.23 0.00 0.00 176.35 173.42 1j3b n SER 234 N -3.94 1.92 0.00 2.29 3.41 -1.26 -2.14 113.62 113.89 1j3b n SER 234 Ca 0.06 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1j3b n SER 234 Cb 0.56 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1j3b n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j3b n GLY 235 N 1.02 0.63 0.20 5.00 0.00 -1.26 -4.91 105.19 105.87 1j3b n GLY 235 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1j3b n GLY 235 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j3b n THR 236 N -2.72 0.00 -0.17 2.61 -2.24 -0.91 -4.81 114.28 106.05 1j3b n THR 236 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1j3b n THR 236 Cb 0.00 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1j3b n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3b n GLY 237 N 1.45 0.91 0.22 3.38 0.00 -1.26 -4.70 105.19 105.19 1j3b n GLY 237 Ca 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1j3b n GLY 237 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j3b h LYS 238 N 2.87 -0.20 -0.24 1.61 3.64 -1.88 -1.52 116.57 120.85 1j3b h LYS 238 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1j3b h LYS 238 Cb 0.00 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1j3b h LYS 238 CO 0.00 -0.13 0.09 1.15 -2.27 0.00 0.00 179.45 178.29 1j3b h THR 239 N -0.20 0.96 -0.26 1.00 2.02 -1.95 -1.52 112.91 112.95 1j3b h THR 239 Ca 0.11 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1j3b h THR 239 Cb 0.36 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1j3b h THR 239 CO -0.28 0.04 0.09 0.00 0.37 0.00 0.00 175.52 175.74 1j3b h THR 240 N 0.21 1.18 0.00 3.16 1.03 -1.89 -2.44 112.91 114.17 1j3b h THR 240 Ca 0.10 -0.57 -0.02 0.00 -0.01 0.00 0.00 66.41 65.91 1j3b h THR 240 Cb 0.06 1.07 -0.00 0.00 -1.07 0.00 0.00 68.15 68.20 1j3b h THR 240 CO -0.09 0.19 -0.09 -0.07 -0.01 0.00 0.00 175.52 175.45 1j3b h LEU 241 N 0.27 0.00 0.00 0.00 3.38 -1.24 -2.18 115.31 115.54 1j3b h LEU 241 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1j3b h LEU 241 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1j3b h LEU 241 CO -0.01 0.09 -0.11 0.28 0.09 0.00 0.00 178.44 178.79 1j3b h SER 242 N 0.00 0.00 -3.55 -0.43 0.02 -1.05 -3.44 113.55 105.10 1j3b h SER 242 Ca -0.00 -0.03 -0.62 0.00 -0.84 0.00 0.00 61.79 60.30 1j3b h SER 242 Cb 0.62 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.03 1j3b h SER 242 CO 0.01 0.02 0.06 -0.89 -1.14 0.00 0.00 176.83 174.89 1j3b s THR 243 N -3.12 5.01 -0.21 -2.27 2.01 -0.82 -4.82 115.64 111.42 1j3b s THR 243 Ca 0.10 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 62.88 1j3b s THR 243 Cb 0.12 -3.91 0.09 0.00 0.01 0.00 0.00 72.50 68.81 1j3b s THR 243 CO 0.62 -0.02 0.46 -0.62 -0.69 0.00 0.00 174.62 174.38 1j3b s ASP 244 N 1.58 -0.45 0.54 3.53 -1.08 -1.26 -4.98 116.67 114.55 1j3b s ASP 244 Ca 0.23 1.09 0.24 0.00 -0.52 0.00 0.00 52.55 53.59 1j3b s ASP 244 Cb -0.15 1.42 1.42 0.00 -1.46 0.00 0.00 42.92 44.14 1j3b s ASP 244 CO 0.10 -0.23 2.04 -0.65 0.52 0.00 0.00 175.17 176.95 1j3b h PRO 245 N 7.96 0.00 -0.01 4.34 0.11 -1.97 0.25 132.00 142.68 1j3b h PRO 245 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1j3b h PRO 245 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j3b h PRO 245 CO 0.14 0.00 -0.19 0.39 -0.21 0.00 0.00 178.00 178.13 1j3b n GLU 246 N -4.29 1.19 -3.81 1.05 -0.58 -1.26 -4.65 120.64 108.29 1j3b n GLU 246 Ca 0.06 -0.75 -0.30 0.00 -0.42 0.00 0.00 57.16 55.75 1j3b n GLU 246 Cb 0.47 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.72 1j3b n GLU 246 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1j3b s ARG 247 N -2.33 1.59 0.15 3.49 0.52 0.08 -3.85 118.95 118.59 1j3b s ARG 247 Ca 0.28 -2.29 -0.33 0.00 -0.52 0.00 0.00 55.73 52.87 1j3b s ARG 247 Cb 0.20 -2.74 -0.16 0.00 0.52 0.00 0.00 34.95 32.76 1j3b s ARG 247 CO 0.46 -1.15 1.05 -2.30 0.02 0.00 0.00 175.30 173.38 1j3b n PRO 248 N 3.31 0.82 -2.76 3.54 -0.02 -1.02 -4.36 135.00 134.51 1j3b n PRO 248 Ca 0.08 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1j3b n PRO 248 Cb 0.34 -1.71 -0.04 0.00 -0.02 0.00 0.00 33.50 32.07 1j3b n PRO 248 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j3b s LEU 249 N 0.89 4.42 -0.15 2.45 2.96 0.00 -0.90 118.68 128.34 1j3b s LEU 249 Ca 0.74 1.66 -0.22 0.00 -0.22 0.00 0.00 54.13 56.09 1j3b s LEU 249 Cb -0.92 -3.52 -0.24 0.00 0.50 0.00 0.00 46.19 42.01 1j3b s LEU 249 CO 0.54 -0.16 0.49 0.40 -1.32 0.00 0.00 176.35 176.29 1j3b h ILE 250 N 4.47 1.20 -2.39 6.68 2.04 -0.77 0.28 117.51 129.02 1j3b h ILE 250 Ca -0.42 -2.30 0.10 0.00 1.00 0.00 0.00 64.86 63.24 1j3b h ILE 250 Cb 1.21 2.72 -0.14 0.00 -0.74 0.00 0.00 36.82 39.87 1j3b h ILE 250 CO 0.74 0.52 0.45 -0.83 0.00 0.00 0.00 178.15 179.03 1j3b s GLY 251 N -4.71 -0.47 0.00 5.37 0.00 -1.14 -4.72 107.32 101.65 1j3b s GLY 251 Ca -0.23 0.87 0.17 0.00 0.00 0.00 0.00 44.72 45.53 1j3b s GLY 251 CO 0.68 0.29 0.81 2.09 0.00 0.00 0.00 173.10 176.97 1j3b n ASP 252 N -0.28 1.36 0.00 1.64 5.75 -1.26 -1.69 116.55 122.07 1j3b n ASP 252 Ca -0.10 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1j3b n ASP 252 Cb 0.62 0.65 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 1j3b n ASP 252 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1j3b n ASP 253 N -0.54 0.00 -3.77 -1.12 2.03 -1.20 -4.00 116.55 107.95 1j3b n ASP 253 Ca 0.06 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.15 1j3b n ASP 253 Cb 0.32 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.54 1j3b n ASP 253 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1j3b s GLU 254 N -1.00 0.45 0.13 -0.67 2.02 -1.19 -1.22 118.70 117.22 1j3b s GLU 254 Ca 0.00 0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.14 1j3b s GLU 254 Cb 0.00 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 33.37 1j3b s GLU 254 CO 0.00 -0.27 -0.00 -1.01 0.02 0.00 0.00 175.26 174.00 1j3b s HIS 255 N 1.82 0.95 0.03 1.61 3.76 -0.78 -0.57 115.29 122.10 1j3b s HIS 255 Ca 0.02 -1.07 0.08 0.00 -0.15 0.00 0.00 55.06 53.95 1j3b s HIS 255 Cb -0.12 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.98 1j3b s HIS 255 CO -0.04 -0.31 -0.25 0.20 -0.85 0.00 0.00 174.74 173.49 1j3b s GLY 256 N -3.08 1.28 -0.38 -2.22 0.00 0.08 -0.15 107.32 102.86 1j3b s GLY 256 Ca 0.19 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 1j3b s GLY 256 CO -0.00 -1.04 0.14 0.86 0.00 0.00 0.00 173.10 173.06 1j3b s TRP 257 N -0.73 3.63 0.19 1.90 -0.11 0.95 -1.52 118.94 123.24 1j3b s TRP 257 Ca 0.10 -2.59 0.02 0.00 1.22 0.00 0.00 56.10 54.85 1j3b s TRP 257 Cb -0.10 -3.05 0.03 0.00 -1.50 0.00 0.00 33.47 28.86 1j3b s TRP 257 CO 0.01 -0.95 0.27 -1.13 -4.62 0.00 0.00 176.95 170.52 1j3b n SER 258 N 4.48 0.55 0.16 5.86 3.41 0.48 -2.13 113.62 126.43 1j3b n SER 258 Ca -0.01 -1.42 0.13 0.00 -0.26 0.00 0.00 58.87 57.31 1j3b n SER 258 Cb 0.42 -0.15 0.55 0.00 -0.26 0.00 0.00 64.21 64.76 1j3b n SER 258 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1j3b h GLU 259 N 0.00 0.00 0.00 4.33 4.11 -1.97 -2.94 114.58 118.10 1j3b h GLU 259 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1j3b h GLU 259 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1j3b h GLU 259 CO 0.11 0.00 -1.51 -0.25 0.07 0.00 0.00 179.01 177.44 1j3b n ASP 260 N -2.41 0.74 0.00 3.06 8.00 -1.26 -5.07 116.55 119.62 1j3b n ASP 260 Ca 0.01 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1j3b n ASP 260 Cb 0.22 1.55 0.00 0.00 -0.02 0.00 0.00 41.12 42.88 1j3b n ASP 260 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j3b n GLY 261 N 1.43 0.21 3.63 0.44 0.00 -1.11 -4.44 105.19 105.36 1j3b n GLY 261 Ca -0.01 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1j3b n GLY 261 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 262 N -4.00 3.79 -0.07 1.61 1.01 -0.51 -0.39 120.40 121.85 1j3b s VAL 262 Ca 0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1j3b s VAL 262 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1j3b s VAL 262 CO 0.00 0.25 0.21 0.72 0.00 0.00 0.00 175.10 176.28 1j3b s PHE 263 N -1.15 -0.20 0.17 5.22 -0.12 -0.58 -0.88 117.98 120.45 1j3b s PHE 263 Ca 0.21 0.48 -0.30 0.00 -0.05 0.00 0.00 56.93 57.27 1j3b s PHE 263 Cb -0.11 0.07 -0.08 0.00 -0.63 0.00 0.00 43.02 42.27 1j3b s PHE 263 CO 0.12 -0.14 1.20 1.21 -0.05 0.00 0.00 175.22 177.56 1j3b s ASN 264 N -0.11 7.08 0.31 1.98 3.84 -0.18 -0.74 114.94 127.12 1j3b s ASN 264 Ca -0.02 2.21 0.16 0.00 0.21 0.00 0.00 52.86 55.42 1j3b s ASN 264 Cb -0.02 -2.60 0.32 0.00 -0.55 0.00 0.00 41.25 38.40 1j3b s ASN 264 CO 0.01 -0.38 1.56 -0.26 -2.79 0.00 0.00 177.10 175.23 1j3b h PHE 265 N 5.42 0.00 -1.58 0.43 0.04 -1.18 0.15 116.94 120.21 1j3b h PHE 265 Ca -0.44 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.79 1j3b h PHE 265 Cb 1.21 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.30 1j3b h PHE 265 CO 0.63 0.48 -0.45 -1.21 -0.60 0.00 0.00 178.31 177.16 1j3b s GLU 266 N -3.23 2.36 -0.12 1.51 2.02 -1.26 0.30 118.70 120.28 1j3b s GLU 266 Ca 0.02 -1.70 0.18 0.00 0.02 0.00 0.00 54.97 53.49 1j3b s GLU 266 Cb 0.09 -2.16 0.27 0.00 0.10 0.00 0.00 34.13 32.44 1j3b s GLU 266 CO 0.72 -0.13 1.14 0.41 0.02 0.00 0.00 175.26 177.42 1j3b n GLY 267 N -1.36 4.64 0.74 -1.39 0.00 0.33 -4.82 105.19 103.33 1j3b n GLY 267 Ca 0.01 -1.06 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 1j3b n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3b n GLY 268 N -1.35 1.74 3.18 -0.02 0.00 -1.01 -0.97 105.19 106.76 1j3b n GLY 268 Ca 0.15 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 1j3b n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b n TYR 270 N 0.99 1.30 -3.03 0.00 9.36 -1.25 -2.14 117.16 122.40 1j3b n TYR 270 Ca -0.19 -3.83 -0.34 0.00 3.32 0.00 0.00 57.90 56.86 1j3b n TYR 270 Cb 0.55 -0.23 -0.06 0.00 -0.63 0.00 0.00 39.34 38.97 1j3b n TYR 270 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1j3b s ALA 271 N -0.88 3.26 -0.11 2.98 0.00 -0.06 -4.82 121.76 122.13 1j3b s ALA 271 Ca 0.30 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.19 1j3b s ALA 271 Cb 0.02 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 1j3b s ALA 271 CO -0.17 0.27 0.84 0.15 0.00 0.00 0.00 175.76 176.85 1j3b s LYS 272 N -2.79 4.39 -0.08 0.00 1.02 -1.26 -0.48 119.74 120.54 1j3b s LYS 272 Ca 0.54 1.09 0.12 0.00 0.02 0.00 0.00 55.97 57.74 1j3b s LYS 272 Cb -0.12 -3.52 0.20 0.00 -0.52 0.00 0.00 37.83 33.87 1j3b s LYS 272 CO 0.17 -0.18 1.11 1.33 -0.92 0.00 0.00 175.35 176.86 1j3b n VAL 273 N 4.33 1.58 -1.97 3.17 0.24 -0.62 -4.93 118.33 120.13 1j3b n VAL 273 Ca 0.04 -1.80 -0.42 0.00 -2.04 0.00 0.00 64.34 60.12 1j3b n VAL 273 Cb 0.50 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.87 1j3b n VAL 273 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1j3b s ILE 274 N -2.19 2.80 -1.38 1.34 1.10 -1.26 -1.51 121.20 120.10 1j3b s ILE 274 Ca 0.21 0.53 0.00 0.00 -0.51 0.00 0.00 60.65 60.88 1j3b s ILE 274 Cb 0.18 -3.34 0.00 0.00 0.15 0.00 0.00 42.46 39.45 1j3b s ILE 274 CO 0.02 0.03 0.00 0.54 -2.11 0.00 0.00 174.94 173.43 1j3b n ARG 275 N 4.26 -1.04 -1.99 3.50 1.74 0.21 -4.95 116.66 118.39 1j3b n ARG 275 Ca 0.14 0.87 -0.40 0.00 -0.77 0.00 0.00 57.85 57.68 1j3b n ARG 275 Cb 0.39 -5.04 -0.00 0.00 -1.02 0.00 0.00 32.46 26.79 1j3b n ARG 275 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1j3b s LEU 276 N -3.57 4.24 -0.03 0.55 2.96 -0.57 -4.89 118.68 117.36 1j3b s LEU 276 Ca 0.00 2.76 -0.12 0.00 -0.22 0.00 0.00 54.13 56.55 1j3b s LEU 276 Cb 0.00 -3.84 0.02 0.00 0.50 0.00 0.00 46.19 42.87 1j3b s LEU 276 CO 0.00 -0.86 0.27 -0.94 -1.32 0.00 0.00 176.35 173.50 1j3b s SER 277 N -0.58 -0.18 0.35 3.68 1.04 -1.26 -4.82 113.70 111.92 1j3b s SER 277 Ca 0.56 0.15 0.02 0.00 0.48 0.00 0.00 55.95 57.16 1j3b s SER 277 Cb -0.40 0.36 0.62 0.00 0.10 0.00 0.00 66.02 66.70 1j3b s SER 277 CO 0.53 -0.35 2.00 -0.65 0.98 0.00 0.00 173.24 175.75 1j3b h PRO 278 N 4.40 0.85 -0.21 4.02 0.11 -1.92 0.18 132.00 139.42 1j3b h PRO 278 Ca -0.29 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1j3b h PRO 278 Cb 1.18 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1j3b h PRO 278 CO 0.38 0.57 0.11 0.93 -0.21 0.00 0.00 178.00 179.77 1j3b h GLU 279 N 0.88 0.30 0.00 1.05 3.07 -1.96 -2.53 114.58 115.39 1j3b h GLU 279 Ca 0.25 -0.04 -0.34 0.00 -0.50 0.00 0.00 59.36 58.73 1j3b h GLU 279 Cb -0.06 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 27.73 1j3b h GLU 279 CO -0.06 0.30 -2.11 0.72 -1.40 0.00 0.00 179.01 176.46 1j3b n HIS 280 N -4.87 0.44 -2.97 4.33 8.25 -1.13 -4.59 115.22 114.68 1j3b n HIS 280 Ca -0.03 0.15 -0.23 0.00 -0.26 0.00 0.00 57.72 57.35 1j3b n HIS 280 Cb 0.09 -1.08 -0.03 0.00 1.12 0.00 0.00 29.99 30.09 1j3b n HIS 280 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1j3b n GLU 281 N -2.91 2.31 -0.24 -0.41 4.71 0.04 -4.96 120.64 119.18 1j3b n GLU 281 Ca -0.27 -4.19 0.04 0.00 -0.01 0.00 0.00 57.16 52.73 1j3b n GLU 281 Cb 1.11 -1.98 0.16 0.00 -1.01 0.00 0.00 31.44 29.72 1j3b n GLU 281 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1j3b h PRO 282 N 2.95 0.29 -0.17 3.49 0.13 -1.54 -0.12 132.00 137.03 1j3b h PRO 282 Ca 0.12 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1j3b h PRO 282 Cb 0.76 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1j3b h PRO 282 CO 0.69 0.19 0.03 -0.07 -0.23 0.00 0.00 178.00 178.61 1j3b h LEU 283 N 0.30 0.26 -0.56 1.56 3.38 -1.93 -0.50 115.31 117.83 1j3b h LEU 283 Ca 0.39 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1j3b h LEU 283 Cb 0.63 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1j3b h LEU 283 CO -0.46 0.45 0.10 0.40 0.09 0.00 0.00 178.44 179.01 1j3b h ILE 284 N 0.07 1.25 -0.73 1.22 2.04 -1.91 -0.57 117.51 118.88 1j3b h ILE 284 Ca 0.05 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1j3b h ILE 284 Cb 0.29 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1j3b h ILE 284 CO 0.00 0.35 0.43 0.22 0.00 0.00 0.00 178.15 179.16 1j3b h TYR 285 N 0.82 0.97 -0.45 1.37 5.03 -0.92 0.13 116.97 123.92 1j3b h TYR 285 Ca 0.17 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.37 1j3b h TYR 285 Cb 0.41 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1j3b h TYR 285 CO 0.03 0.66 -0.13 -0.22 -1.32 0.00 0.00 178.16 177.18 1j3b h LYS 286 N 1.00 0.88 -0.09 1.82 3.64 -0.85 -1.99 116.57 120.98 1j3b h LYS 286 Ca 0.26 -0.35 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 1j3b h LYS 286 Cb -0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1j3b h LYS 286 CO -0.05 0.99 -0.37 0.00 -2.27 0.00 0.00 179.45 177.75 1j3b h ALA 287 N 0.86 1.22 0.00 5.00 0.00 -0.72 -3.01 119.26 122.61 1j3b h ALA 287 Ca 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1j3b h ALA 287 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j3b h ALA 287 CO 0.05 0.54 -0.22 0.77 0.00 0.00 0.00 179.25 180.39 1j3b h SER 288 N 0.15 0.00 -1.94 0.00 0.02 -0.56 -3.37 113.55 107.85 1j3b h SER 288 Ca 0.02 -0.07 -0.71 0.00 -0.84 0.00 0.00 61.79 60.19 1j3b h SER 288 Cb 0.73 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.94 1j3b h SER 288 CO 0.06 0.03 0.39 0.59 -1.14 0.00 0.00 176.83 176.76 1j3b n ASN 289 N -2.26 6.42 -3.76 3.07 3.02 -0.76 -4.72 115.26 116.26 1j3b n ASN 289 Ca 0.05 -3.77 -0.09 0.00 -0.03 0.00 0.00 54.58 50.74 1j3b n ASN 289 Cb 0.44 -0.87 -0.04 0.00 -0.61 0.00 0.00 39.78 38.71 1j3b n ASN 289 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j3b s GLN 290 N -3.91 1.43 0.45 3.52 -2.07 -1.25 -4.74 119.66 113.08 1j3b s GLN 290 Ca 0.48 -0.90 -0.24 0.00 -1.82 0.00 0.00 55.36 52.89 1j3b s GLN 290 Cb 0.37 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.72 1j3b s GLN 290 CO -0.28 -0.61 1.08 0.34 -1.32 0.00 0.00 175.29 174.50 1j3b n PHE 291 N -0.36 1.40 0.00 9.60 -0.00 -1.22 -2.58 117.46 124.30 1j3b n PHE 291 Ca -0.09 0.52 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 1j3b n PHE 291 Cb 0.62 -2.26 0.00 0.00 -0.00 0.00 0.00 39.48 37.84 1j3b n PHE 291 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1j3b n GLU 292 N -0.10 0.00 -2.13 -4.13 1.02 -1.26 -4.95 120.64 109.09 1j3b n GLU 292 Ca 0.09 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.86 1j3b n GLU 292 Cb 0.41 -0.06 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1j3b n GLU 292 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j3b s ALA 293 N -2.13 2.99 -0.14 0.62 0.00 -1.07 -4.79 121.76 117.26 1j3b s ALA 293 Ca 0.00 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.05 1j3b s ALA 293 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1j3b s ALA 293 CO 0.00 -0.83 -0.19 0.42 0.00 0.00 0.00 175.76 175.16 1j3b s ILE 294 N -1.44 1.86 -0.34 0.00 1.01 0.12 -0.34 121.20 122.08 1j3b s ILE 294 Ca 0.64 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1j3b s ILE 294 Cb -0.33 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1j3b s ILE 294 CO 0.40 0.51 0.17 -0.76 0.00 0.00 0.00 174.94 175.26 1j3b s LEU 295 N 0.98 4.36 -0.31 2.97 1.43 0.79 -0.43 118.68 128.47 1j3b s LEU 295 Ca -0.04 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.12 1j3b s LEU 295 Cb -0.15 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1j3b s LEU 295 CO -0.04 -0.28 0.40 -0.70 0.23 0.00 0.00 176.35 175.96 1j3b s GLU 296 N 1.57 3.78 -0.99 1.70 2.12 0.12 -1.30 118.70 125.70 1j3b s GLU 296 Ca 0.03 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1j3b s GLU 296 Cb -0.18 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1j3b s GLU 296 CO 0.06 -0.44 0.00 0.09 -0.54 0.00 0.00 175.26 174.43 1j3b n ASN 297 N 5.44 -4.68 -4.82 -1.70 3.02 0.15 -1.87 115.26 110.80 1j3b n ASN 297 Ca -0.08 0.23 -0.33 0.00 -0.03 0.00 0.00 54.58 54.38 1j3b n ASN 297 Cb 0.50 -3.00 -0.03 0.00 -0.61 0.00 0.00 39.78 36.64 1j3b n ASN 297 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1j3b s VAL 298 N -2.16 4.24 0.09 2.41 -7.23 -1.26 -4.60 120.40 111.88 1j3b s VAL 298 Ca 0.00 1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 61.14 1j3b s VAL 298 Cb 0.00 -3.59 -0.07 0.00 0.56 0.00 0.00 36.38 33.29 1j3b s VAL 298 CO 0.00 -0.52 0.61 -0.69 -0.31 0.00 0.00 175.10 174.19 1j3b s VAL 299 N -2.42 4.68 -0.02 1.32 1.01 -1.26 -4.95 120.40 118.77 1j3b s VAL 299 Ca 0.62 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.91 1j3b s VAL 299 Cb -0.12 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1j3b s VAL 299 CO 0.28 0.54 -0.02 0.54 0.00 0.00 0.00 175.10 176.44 1j3b s VAL 300 N -1.06 0.26 -0.08 2.92 0.11 -1.26 -0.81 120.40 120.48 1j3b s VAL 300 Ca 0.30 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 59.02 1j3b s VAL 300 Cb -0.20 -0.29 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 1j3b s VAL 300 CO 0.20 0.13 1.76 0.21 -3.33 0.00 0.00 175.10 174.07 1j3b s ASN 301 N 0.53 6.46 0.55 3.54 3.84 -0.49 -4.87 114.94 124.51 1j3b s ASN 301 Ca -0.05 2.19 0.23 0.00 0.21 0.00 0.00 52.86 55.44 1j3b s ASN 301 Cb -0.09 -2.53 1.53 0.00 -0.55 0.00 0.00 41.25 39.61 1j3b s ASN 301 CO -0.01 -1.10 2.19 1.55 -2.79 0.00 0.00 177.10 176.93 1j3b h PRO 302 N 10.46 0.00 0.00 0.43 0.13 -1.96 0.62 132.00 141.68 1j3b h PRO 302 Ca -0.41 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 1j3b h PRO 302 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1j3b h PRO 302 CO 0.96 0.02 -0.94 1.49 -0.23 0.00 0.00 178.00 179.30 1j3b h GLU 303 N 0.00 0.00 0.00 0.86 4.81 -1.98 -3.38 114.58 114.89 1j3b h GLU 303 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1j3b h GLU 303 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1j3b h GLU 303 CO 0.00 0.80 -0.14 0.66 -0.73 0.00 0.00 179.01 179.60 1j3b h SER 304 N -1.00 0.00 -1.16 1.04 4.64 -1.97 -3.47 113.55 111.63 1j3b h SER 304 Ca -0.24 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.73 1j3b h SER 304 Cb 1.09 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.07 1j3b h SER 304 CO -0.14 0.08 -0.35 0.54 -0.87 0.00 0.00 176.83 176.09 1j3b n ARG 305 N -3.10 -1.24 -3.03 4.77 5.12 0.22 -4.71 116.66 114.69 1j3b n ARG 305 Ca 0.03 1.05 -0.40 0.00 -1.93 0.00 0.00 57.85 56.61 1j3b n ARG 305 Cb 0.57 -5.33 -0.05 0.00 -1.16 0.00 0.00 32.46 26.48 1j3b n ARG 305 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1j3b s ARG 306 N -3.75 4.45 0.11 5.56 1.81 -1.24 -1.03 118.95 124.85 1j3b s ARG 306 Ca 0.00 0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 54.66 1j3b s ARG 306 Cb 0.00 -3.40 -0.06 0.00 -0.45 0.00 0.00 34.95 31.04 1j3b s ARG 306 CO 0.00 0.18 1.15 0.08 -0.68 0.00 0.00 175.30 176.03 1j3b s VAL 307 N 0.35 4.01 -1.04 3.52 1.01 -1.26 -1.40 120.40 125.59 1j3b s VAL 307 Ca 0.38 1.55 -0.13 0.00 0.00 0.00 0.00 61.98 63.78 1j3b s VAL 307 Cb -0.19 -3.99 0.21 0.00 0.00 0.00 0.00 36.38 32.41 1j3b s VAL 307 CO 0.20 0.18 1.11 -1.10 0.00 0.00 0.00 175.10 175.49 1j3b s GLN 308 N 0.46 3.93 0.54 2.72 -1.52 0.01 -4.91 119.66 120.89 1j3b s GLN 308 Ca 0.54 -2.65 0.26 0.00 -1.95 0.00 0.00 55.36 51.56 1j3b s GLN 308 Cb -0.29 -4.70 1.41 0.00 -0.22 0.00 0.00 33.01 29.21 1j3b s GLN 308 CO 0.32 -1.46 2.00 -1.49 -0.25 0.00 0.00 175.29 174.40 1j3b h TRP 309 N 7.40 0.00 -0.00 0.91 4.06 -1.88 -2.13 115.95 124.31 1j3b h TRP 309 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 1j3b h TRP 309 Cb 0.94 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 1j3b h TRP 309 CO 0.97 0.00 -0.33 -0.25 -3.56 0.00 0.00 178.44 175.28 1j3b n ASP 310 N -4.32 0.33 -4.58 -3.49 8.00 -1.26 0.67 116.55 111.90 1j3b n ASP 310 Ca 0.09 -0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 1j3b n ASP 310 Cb 0.59 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 1j3b n ASP 310 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1j3b s ASP 311 N -2.99 6.19 -0.25 -2.24 3.68 -0.80 -4.65 116.67 115.61 1j3b s ASP 311 Ca 0.12 0.42 0.13 0.00 2.13 0.00 0.00 52.55 55.35 1j3b s ASP 311 Cb 0.18 -2.54 0.74 0.00 -1.45 0.00 0.00 42.92 39.84 1j3b s ASP 311 CO 0.64 -1.63 1.69 -0.90 0.13 0.00 0.00 175.17 175.10 1j3b n ASP 312 N 9.35 5.04 0.29 -0.34 5.68 -1.26 -4.47 116.55 130.83 1j3b n ASP 312 Ca 0.13 -3.06 0.14 0.00 -0.50 0.00 0.00 54.79 51.51 1j3b n ASP 312 Cb 0.49 -0.67 0.88 0.00 -1.14 0.00 0.00 41.12 40.67 1j3b n ASP 312 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1j3b h SER 313 N 3.11 0.00 0.08 -1.12 4.64 -1.95 -2.40 113.55 115.91 1j3b h SER 313 Ca 0.08 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.03 1j3b h SER 313 Cb 1.96 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.02 1j3b h SER 313 CO 0.50 0.02 -2.10 0.29 -0.87 0.00 0.00 176.83 174.67 1j3b n LYS 314 N -3.83 0.71 -3.60 4.77 5.02 -1.26 -5.03 118.16 114.94 1j3b n LYS 314 Ca -0.03 0.25 -0.06 0.00 -2.02 0.00 0.00 58.31 56.45 1j3b n LYS 314 Cb 0.11 -1.65 -0.04 0.00 -0.02 0.00 0.00 35.03 33.43 1j3b n LYS 314 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1j3b s THR 315 N -2.53 0.00 -0.52 -0.18 -1.32 -0.90 -4.99 115.64 105.20 1j3b s THR 315 Ca -0.27 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.45 1j3b s THR 315 Cb 0.07 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.39 1j3b s THR 315 CO 0.70 0.00 1.66 -0.33 -2.21 0.00 0.00 174.62 174.44 1j3b h GLU 316 N 2.25 0.00 -1.70 7.08 4.39 -1.94 -3.35 114.58 121.31 1j3b h GLU 316 Ca -0.13 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.19 1j3b h GLU 316 Cb 1.18 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.68 1j3b h GLU 316 CO 0.26 0.00 0.38 -1.71 -1.16 0.00 0.00 179.01 176.79 1j3b n ASN 317 N -2.87 6.44 -4.77 1.42 5.15 -1.26 -4.52 115.26 114.85 1j3b n ASN 317 Ca 0.04 -3.10 -0.41 0.00 -0.60 0.00 0.00 54.58 50.52 1j3b n ASN 317 Cb 0.50 -1.13 -0.02 0.00 -0.53 0.00 0.00 39.78 38.60 1j3b n ASN 317 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1j3b s THR 318 N -2.18 2.65 0.17 -0.44 -4.23 -1.25 -4.95 115.64 105.41 1j3b s THR 318 Ca 0.42 0.65 0.07 0.00 -1.18 0.00 0.00 61.69 61.66 1j3b s THR 318 Cb 0.30 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1j3b s THR 318 CO -0.08 0.15 -0.14 -0.13 -0.54 0.00 0.00 174.62 173.88 1j3b s ARG 319 N -1.85 1.21 -0.09 3.99 1.81 -0.78 -1.60 118.95 121.65 1j3b s ARG 319 Ca 0.50 -1.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1j3b s ARG 319 Cb -0.40 -1.04 0.02 0.00 -0.45 0.00 0.00 34.95 33.08 1j3b s ARG 319 CO 0.54 0.18 -0.08 0.45 -0.68 0.00 0.00 175.30 175.71 1j3b s SER 320 N -2.98 1.90 -0.15 0.23 0.15 0.37 0.14 113.70 113.36 1j3b s SER 320 Ca 0.17 -0.27 -0.03 0.00 0.70 0.00 0.00 55.95 56.53 1j3b s SER 320 Cb -0.02 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.50 1j3b s SER 320 CO 0.05 -0.08 -0.06 -0.55 1.20 0.00 0.00 173.24 173.80 1j3b s SER 321 N 1.37 4.57 -0.10 5.45 0.15 0.43 -0.88 113.70 124.68 1j3b s SER 321 Ca -0.02 -0.19 -0.26 0.00 0.70 0.00 0.00 55.95 56.18 1j3b s SER 321 Cb -0.14 -1.73 0.06 0.00 -1.71 0.00 0.00 66.02 62.50 1j3b s SER 321 CO -0.04 0.16 0.61 -0.72 1.20 0.00 0.00 173.24 174.46 1j3b s TYR 322 N 0.38 -0.60 0.64 3.44 -0.85 -0.91 -0.70 117.35 118.74 1j3b s TYR 322 Ca -0.06 1.19 -0.18 0.00 -0.52 0.00 0.00 57.07 57.50 1j3b s TYR 322 Cb -0.15 0.31 -0.01 0.00 0.38 0.00 0.00 41.96 42.49 1j3b s TYR 322 CO 0.04 -0.49 1.24 -1.25 -1.52 0.00 0.00 175.55 173.56 1j3b s PRO 323 N -0.74 2.66 0.60 -3.49 0.04 -1.26 -0.75 135.00 132.05 1j3b s PRO 323 Ca -0.08 1.91 0.30 0.00 0.04 0.00 0.00 61.00 63.17 1j3b s PRO 323 Cb -0.02 -1.88 1.76 0.00 0.04 0.00 0.00 34.50 34.40 1j3b s PRO 323 CO 0.06 -1.47 2.16 0.97 0.04 0.00 0.00 177.00 178.76 1j3b h ILE 324 N 0.54 0.44 0.00 0.56 6.09 -1.28 -0.45 117.51 123.40 1j3b h ILE 324 Ca -0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 1j3b h ILE 324 Cb 1.31 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.50 1j3b h ILE 324 CO 0.53 0.00 0.04 0.00 -3.07 0.00 0.00 178.15 175.65 1j3b h ALA 325 N 1.84 1.03 0.00 0.18 0.00 -1.89 0.17 119.26 120.59 1j3b h ALA 325 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j3b h ALA 325 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j3b h ALA 325 CO -0.00 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1j3b n HIS 326 N -2.72 0.69 -3.80 0.00 8.25 -0.18 -4.73 115.22 112.73 1j3b n HIS 326 Ca -0.02 0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 57.31 1j3b n HIS 326 Cb 0.09 -0.86 -0.05 0.00 1.12 0.00 0.00 29.99 30.29 1j3b n HIS 326 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1j3b s LEU 327 N -4.16 4.38 -0.20 2.41 1.43 0.04 -4.36 118.68 118.22 1j3b s LEU 327 Ca 0.09 0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 53.52 1j3b s LEU 327 Cb 0.12 -2.58 -0.15 0.00 0.03 0.00 0.00 46.19 43.62 1j3b s LEU 327 CO 0.51 0.28 0.09 1.21 0.23 0.00 0.00 176.35 178.67 1j3b n GLU 328 N 1.22 0.54 -1.60 1.70 0.00 -1.26 -4.58 120.64 116.65 1j3b n GLU 328 Ca -0.12 0.54 -0.41 0.00 0.00 0.00 0.00 57.16 57.17 1j3b n GLU 328 Cb 0.53 -1.72 -0.01 0.00 0.00 0.00 0.00 31.44 30.24 1j3b n GLU 328 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1j3b n ASN 329 N -4.46 5.32 -4.22 4.31 5.15 -1.26 -4.89 115.26 115.21 1j3b n ASN 329 Ca -0.28 -2.76 -0.14 0.00 -0.60 0.00 0.00 54.58 50.80 1j3b n ASN 329 Cb 0.61 -1.63 -0.10 0.00 -0.53 0.00 0.00 39.78 38.13 1j3b n ASN 329 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1j3b s VAL 330 N 2.90 1.06 -0.64 3.44 -7.23 -1.26 -0.82 120.40 117.85 1j3b s VAL 330 Ca 0.54 -1.94 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 1j3b s VAL 330 Cb 0.15 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.42 1j3b s VAL 330 CO -0.08 -0.71 1.15 -0.69 -0.31 0.00 0.00 175.10 174.46 1j3b s VAL 331 N -3.14 4.02 0.25 1.32 1.01 0.97 -4.74 120.40 120.08 1j3b s VAL 331 Ca 0.13 0.46 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 1j3b s VAL 331 Cb 0.02 -4.76 0.38 0.00 0.00 0.00 0.00 36.38 32.02 1j3b s VAL 331 CO -0.00 -1.50 1.42 1.21 0.00 0.00 0.00 175.10 176.23 1j3b n GLU 332 N 8.51 -0.11 0.24 2.72 4.07 -1.26 -0.76 120.64 134.05 1j3b n GLU 332 Ca 0.04 1.42 0.15 0.00 -0.06 0.00 0.00 57.16 58.71 1j3b n GLU 332 Cb 0.48 -2.12 0.49 0.00 -0.06 0.00 0.00 31.44 30.24 1j3b n GLU 332 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1j3b h SER 333 N 0.00 0.00 -0.13 4.31 4.64 -1.98 -3.47 113.55 116.93 1j3b h SER 333 Ca 0.41 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.68 1j3b h SER 333 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1j3b h SER 333 CO -0.93 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 175.59 1j3b n GLY 334 N 0.44 0.57 3.03 -0.77 0.00 0.06 -4.83 105.19 103.69 1j3b n GLY 334 Ca 0.02 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 1j3b n GLY 334 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 335 N -1.94 0.71 0.18 1.61 1.01 -1.26 -1.01 120.40 119.71 1j3b s VAL 335 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1j3b s VAL 335 Cb 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1j3b s VAL 335 CO 0.00 0.13 0.28 0.00 0.00 0.00 0.00 175.10 175.51 1j3b n ALA 336 N 2.65 -0.33 -1.00 5.51 0.00 -0.06 -5.02 120.51 122.28 1j3b n ALA 336 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1j3b n ALA 336 Cb 0.57 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.64 1j3b n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j3b n GLY 337 N -0.29 -1.53 3.78 0.00 0.00 -1.26 -1.42 105.19 104.47 1j3b n GLY 337 Ca -0.01 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1j3b n GLY 337 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j3b s HIS 338 N -0.14 3.83 0.23 1.61 3.76 -1.26 -1.78 115.29 121.53 1j3b s HIS 338 Ca 0.00 1.62 -0.32 0.00 -0.15 0.00 0.00 55.06 56.21 1j3b s HIS 338 Cb 0.00 -2.77 -0.13 0.00 1.11 0.00 0.00 32.58 30.79 1j3b s HIS 338 CO 0.00 0.43 1.48 -2.30 -0.85 0.00 0.00 174.74 173.50 1j3b n PRO 339 N 1.26 2.16 -0.05 8.40 -0.02 -1.26 -4.06 135.00 141.43 1j3b n PRO 339 Ca -0.04 0.77 -0.01 0.00 -2.02 0.00 0.00 63.50 62.21 1j3b n PRO 339 Cb 0.49 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 1j3b n PRO 339 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1j3b n ARG 340 N 2.43 0.95 -3.78 -0.52 5.12 0.69 -4.41 116.66 117.14 1j3b n ARG 340 Ca 0.13 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.84 1j3b n ARG 340 Cb 0.31 -1.43 -0.13 0.00 -1.16 0.00 0.00 32.46 30.05 1j3b n ARG 340 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j3b s ALA 341 N -2.78 -0.33 -0.07 7.54 0.00 -1.13 -0.45 121.76 124.54 1j3b s ALA 341 Ca -0.08 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1j3b s ALA 341 Cb 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1j3b s ALA 341 CO 0.71 -0.12 -0.17 0.42 0.00 0.00 0.00 175.76 176.60 1j3b s ILE 342 N 0.68 1.50 -0.10 0.00 1.01 0.76 -1.30 121.20 123.75 1j3b s ILE 342 Ca -0.05 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1j3b s ILE 342 Cb -0.07 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 1j3b s ILE 342 CO -0.03 0.43 -0.21 -0.36 0.00 0.00 0.00 174.94 174.77 1j3b s PHE 343 N 0.33 2.61 -0.31 3.97 0.40 0.81 -0.73 117.98 125.06 1j3b s PHE 343 Ca -0.11 -0.90 -0.09 0.00 -0.60 0.00 0.00 56.93 55.23 1j3b s PHE 343 Cb -0.15 -1.73 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1j3b s PHE 343 CO 0.04 -0.34 0.13 -0.06 0.70 0.00 0.00 175.22 175.70 1j3b s PHE 344 N 0.28 3.18 -0.14 0.36 0.08 0.85 -0.09 117.98 122.51 1j3b s PHE 344 Ca -0.15 -0.78 -0.10 0.00 0.12 0.00 0.00 56.93 56.03 1j3b s PHE 344 Cb -0.17 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.90 1j3b s PHE 344 CO 0.08 -0.53 0.19 -0.51 -0.10 0.00 0.00 175.22 174.35 1j3b s LEU 345 N 1.56 4.33 -0.02 -0.37 1.43 1.00 0.08 118.68 126.68 1j3b s LEU 345 Ca 0.03 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1j3b s LEU 345 Cb -0.17 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.90 1j3b s LEU 345 CO 0.05 0.29 0.04 -0.44 0.23 0.00 0.00 176.35 176.52 1j3b s SER 346 N -0.42 0.04 -0.99 2.29 0.01 -0.17 -4.42 113.70 110.04 1j3b s SER 346 Ca 0.14 0.06 -0.13 0.00 1.31 0.00 0.00 55.95 57.33 1j3b s SER 346 Cb -0.12 -0.03 0.21 0.00 0.21 0.00 0.00 66.02 66.29 1j3b s SER 346 CO 0.03 -0.11 1.03 0.00 0.41 0.00 0.00 173.24 174.60 1j3b s ALA 347 N 0.93 4.13 -0.76 1.44 0.00 -1.26 -1.01 121.76 125.23 1j3b s ALA 347 Ca -0.08 -3.38 -0.26 0.00 0.00 0.00 0.00 51.96 48.24 1j3b s ALA 347 Cb -0.11 -3.72 0.02 0.00 0.00 0.00 0.00 23.12 19.31 1j3b s ALA 347 CO -0.03 -2.46 1.45 0.34 0.00 0.00 0.00 175.76 175.06 1j3b s ASP 348 N 2.28 5.98 0.00 0.00 2.15 -1.26 -1.62 116.67 124.21 1j3b s ASP 348 Ca 0.28 -0.44 0.21 0.00 0.43 0.00 0.00 52.55 53.03 1j3b s ASP 348 Cb -0.08 -2.56 0.94 0.00 -0.30 0.00 0.00 42.92 40.93 1j3b s ASP 348 CO -0.07 -1.94 1.68 0.00 -0.17 0.00 0.00 175.17 174.66 1j3b n ALA 349 N 10.19 2.00 1.06 3.66 0.00 -1.26 -1.79 120.51 134.36 1j3b n ALA 349 Ca 0.12 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1j3b n ALA 349 Cb 0.50 -1.34 0.59 0.00 0.00 0.00 0.00 19.45 19.19 1j3b n ALA 349 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1j3b n TYR 350 N -1.45 0.00 -2.49 0.00 4.02 -1.26 -2.12 117.16 113.87 1j3b n TYR 350 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.79 1j3b n TYR 350 Cb 0.23 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 1j3b n TYR 350 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1j3b n GLY 351 N 1.47 -0.29 0.20 2.72 0.00 -1.04 -4.33 105.19 103.92 1j3b n GLY 351 Ca 0.08 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1j3b n GLY 351 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j3b n VAL 352 N -4.09 1.43 -1.75 1.61 0.31 -1.26 -4.53 118.33 110.04 1j3b n VAL 352 Ca -0.16 -0.24 -0.40 0.00 -0.01 0.00 0.00 64.34 63.53 1j3b n VAL 352 Cb 0.63 -1.95 0.02 0.00 -0.91 0.00 0.00 33.84 31.63 1j3b n VAL 352 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1j3b n LEU 353 N -4.21 5.05 -4.82 7.52 4.77 -1.26 -4.78 117.00 119.28 1j3b n LEU 353 Ca -0.42 1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 56.34 1j3b n LEU 353 Cb 0.78 -1.59 0.06 0.00 -2.33 0.00 0.00 43.42 40.34 1j3b n LEU 353 CO 0.06 -0.29 0.71 -2.16 -1.33 0.00 0.00 177.39 174.39 1j3b s PRO 354 N -2.49 2.78 0.48 3.23 0.04 -1.26 -4.85 135.00 132.93 1j3b s PRO 354 Ca 0.63 0.87 0.22 0.00 0.04 0.00 0.00 61.00 62.76 1j3b s PRO 354 Cb -0.45 -1.98 1.25 0.00 0.04 0.00 0.00 34.50 33.37 1j3b s PRO 354 CO 0.56 -1.19 1.93 -1.00 0.04 0.00 0.00 177.00 177.34 1j3b h PRO 355 N -0.78 0.19 -1.95 0.56 0.13 -1.80 -3.27 132.00 125.09 1j3b h PRO 355 Ca -0.44 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1j3b h PRO 355 Cb 1.22 -0.04 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 1j3b h PRO 355 CO 0.58 0.13 0.20 -1.50 -0.23 0.00 0.00 178.00 177.17 1j3b s ILE 356 N -5.20 0.00 -0.04 -3.56 2.07 -1.26 -2.28 121.20 110.94 1j3b s ILE 356 Ca -0.06 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.13 1j3b s ILE 356 Cb 0.21 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.81 1j3b s ILE 356 CO 0.76 0.00 0.12 0.00 -1.91 0.00 0.00 174.94 173.91 1j3b s ALA 357 N -0.28 -0.30 -0.18 1.50 0.00 -0.57 -4.40 121.76 117.53 1j3b s ALA 357 Ca -0.04 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 1j3b s ALA 357 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1j3b s ALA 357 CO 0.04 -0.09 0.40 0.50 0.00 0.00 0.00 175.76 176.61 1j3b s ARG 358 N -0.25 4.22 0.03 0.00 3.52 0.53 -1.11 118.95 125.90 1j3b s ARG 358 Ca -0.03 0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1j3b s ARG 358 Cb -0.02 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1j3b s ARG 358 CO 0.00 0.05 0.18 -0.51 -0.81 0.00 0.00 175.30 174.21 1j3b s LEU 359 N 1.03 4.27 0.77 -0.88 1.43 0.10 -2.74 118.68 122.67 1j3b s LEU 359 Ca 0.20 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 1j3b s LEU 359 Cb -0.14 -2.74 0.07 0.00 0.03 0.00 0.00 46.19 43.40 1j3b s LEU 359 CO 0.08 0.21 1.12 -0.94 0.23 0.00 0.00 176.35 177.05 1j3b s SER 360 N -2.24 4.70 0.34 2.29 1.04 -1.26 -4.53 113.70 114.04 1j3b s SER 360 Ca 0.31 0.73 0.02 0.00 0.48 0.00 0.00 55.95 57.49 1j3b s SER 360 Cb -0.13 -1.31 0.60 0.00 0.10 0.00 0.00 66.02 65.29 1j3b s SER 360 CO 0.23 -1.76 1.99 -0.65 0.98 0.00 0.00 173.24 174.03 1j3b h PRO 361 N -0.88 0.84 -0.32 4.02 0.11 -1.98 0.19 132.00 133.97 1j3b h PRO 361 Ca -0.45 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1j3b h PRO 361 Cb 1.32 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1j3b h PRO 361 CO 0.64 0.58 -0.08 0.93 -0.21 0.00 0.00 178.00 179.86 1j3b h GLU 362 N 0.85 0.62 -0.33 1.05 3.07 -1.93 -1.96 114.58 115.95 1j3b h GLU 362 Ca 0.23 -0.24 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 1j3b h GLU 362 Cb -0.05 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1j3b h GLU 362 CO -0.04 0.80 -0.19 0.93 -1.40 0.00 0.00 179.01 179.11 1j3b h GLU 363 N 0.39 0.61 -0.64 2.33 5.08 -1.75 -1.51 114.58 119.09 1j3b h GLU 363 Ca 0.08 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1j3b h GLU 363 Cb 0.58 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1j3b h GLU 363 CO 0.03 0.77 0.33 0.00 -1.00 0.00 0.00 179.01 179.14 1j3b h ALA 364 N 1.25 0.83 -0.22 3.43 0.00 -0.46 -0.09 119.26 123.99 1j3b h ALA 364 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1j3b h ALA 364 Cb 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1j3b h ALA 364 CO 0.05 0.36 -0.38 0.52 0.00 0.00 0.00 179.25 179.79 1j3b h MET 365 N 0.88 0.50 -0.13 0.00 2.86 -1.09 -0.89 114.93 117.06 1j3b h MET 365 Ca 0.22 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1j3b h MET 365 Cb 0.08 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1j3b h MET 365 CO -0.03 0.81 -0.01 -0.92 1.06 0.00 0.00 176.91 177.81 1j3b h TYR 366 N 0.42 0.27 0.00 -0.22 5.03 -0.69 -0.90 116.97 120.87 1j3b h TYR 366 Ca 0.04 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1j3b h TYR 366 Cb 0.86 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 1j3b h TYR 366 CO 0.03 0.50 -0.15 1.88 -1.32 0.00 0.00 178.16 179.10 1j3b h TYR 367 N -0.04 0.00 -0.25 -3.82 0.05 -1.02 -1.18 116.97 110.71 1j3b h TYR 367 Ca 0.04 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.71 1j3b h TYR 367 Cb 0.40 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.14 1j3b h TYR 367 CO 0.04 0.15 -0.28 0.35 -1.05 0.00 0.00 178.16 177.38 1j3b h PHE 368 N 0.00 0.75 0.00 4.88 3.57 -1.03 -1.64 116.94 123.47 1j3b h PHE 368 Ca -0.00 -0.23 -0.07 0.00 3.53 0.00 0.00 57.97 61.19 1j3b h PHE 368 Cb 0.84 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1j3b h PHE 368 CO 0.00 0.96 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.63 1j3b h LEU 369 N 0.33 0.00 -0.00 0.59 3.38 -0.85 0.69 115.31 119.45 1j3b h LEU 369 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1j3b h LEU 369 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1j3b h LEU 369 CO 0.07 0.34 -0.07 0.28 0.09 0.00 0.00 178.44 179.15 1j3b h SER 370 N 0.00 0.07 -5.77 -0.43 0.02 -1.02 -3.32 113.55 103.09 1j3b h SER 370 Ca -0.00 -0.77 -0.34 0.00 -0.84 0.00 0.00 61.79 59.84 1j3b h SER 370 Cb 0.67 -0.02 0.14 0.00 0.14 0.00 0.00 62.40 63.33 1j3b h SER 370 CO 0.04 0.82 -0.85 0.61 -1.14 0.00 0.00 176.83 176.32 1j3b n GLY 371 N 0.99 -0.77 3.83 -3.77 0.00 -0.64 -2.34 105.19 102.50 1j3b n GLY 371 Ca -0.09 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 1j3b n GLY 371 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j3b s TYR 372 N -3.46 3.52 -0.20 1.61 5.04 -1.26 -1.21 117.35 121.39 1j3b s TYR 372 Ca 0.26 1.32 -0.31 0.00 -2.44 0.00 0.00 57.07 55.91 1j3b s TYR 372 Cb -0.05 -2.59 0.15 0.00 0.35 0.00 0.00 41.96 39.82 1j3b s TYR 372 CO 0.77 0.22 1.16 -0.08 -1.34 0.00 0.00 175.55 176.29 1j3b s THR 373 N -1.73 0.00 -0.03 4.34 -1.32 -0.88 -4.36 115.64 111.66 1j3b s THR 373 Ca 0.48 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.04 1j3b s THR 373 Cb -0.14 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.84 1j3b s THR 373 CO 0.19 0.00 -0.25 0.00 -2.21 0.00 0.00 174.62 172.36 1j3b s ALA 374 N -1.57 2.06 0.06 11.08 0.00 -0.64 0.21 121.76 132.96 1j3b s ALA 374 Ca 0.05 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1j3b s ALA 374 Cb -0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1j3b s ALA 374 CO -0.04 0.49 0.10 1.03 0.00 0.00 0.00 175.76 177.33 1j3b s ARG 375 N -0.50 2.99 0.21 0.00 1.81 0.10 -4.61 118.95 118.95 1j3b s ARG 375 Ca 0.07 -0.62 -0.19 0.00 -1.72 0.00 0.00 55.73 53.27 1j3b s ARG 375 Cb -0.10 -2.79 0.07 0.00 -0.45 0.00 0.00 34.95 31.67 1j3b s ARG 375 CO -0.00 0.59 0.94 1.55 -0.68 0.00 0.00 175.30 177.69 1j3b n VAL 376 N 0.56 0.00 -4.19 3.52 3.14 -1.26 -0.61 118.33 119.49 1j3b n VAL 376 Ca -0.09 -0.60 -0.14 0.00 -2.96 0.00 0.00 64.34 60.56 1j3b n VAL 376 Cb 0.52 0.76 -0.10 0.00 -1.06 0.00 0.00 33.84 33.96 1j3b n VAL 376 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1j3b s PRO 386 N -2.05 0.90 -0.17 1.45 0.04 -1.26 -5.26 135.00 128.65 1j3b s PRO 386 Ca 0.21 -1.26 0.01 0.00 0.04 0.00 0.00 61.00 60.00 1j3b s PRO 386 Cb -0.03 -0.51 0.02 0.00 0.04 0.00 0.00 34.50 34.02 1j3b s PRO 386 CO 0.06 0.07 -0.18 -0.98 0.04 0.00 0.00 177.00 176.00 1j3b s ARG 387 N -3.17 2.79 0.34 4.56 1.70 0.22 -5.09 118.95 120.30 1j3b s ARG 387 Ca 0.09 -0.75 -0.26 0.00 -0.47 0.00 0.00 55.73 54.34 1j3b s ARG 387 Cb -0.00 -2.42 -0.09 0.00 -0.57 0.00 0.00 34.95 31.86 1j3b s ARG 387 CO -0.01 -0.21 1.02 0.00 -1.08 0.00 0.00 175.30 175.02 1j3b s ALA 388 N 1.32 3.21 -0.03 7.88 0.00 -1.26 0.01 121.76 132.88 1j3b s ALA 388 Ca 0.04 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1j3b s ALA 388 Cb -0.13 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1j3b s ALA 388 CO -0.12 -0.04 -0.17 0.99 0.00 0.00 0.00 175.76 176.42 1j3b s THR 389 N -1.51 1.38 -0.08 0.00 2.01 0.13 -4.89 115.64 112.69 1j3b s THR 389 Ca 0.51 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1j3b s THR 389 Cb -0.23 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1j3b s THR 389 CO 0.29 0.40 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.16 1j3b s PHE 390 N -0.14 1.33 -0.35 4.92 0.40 -1.26 -2.06 117.98 120.82 1j3b s PHE 390 Ca 0.01 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1j3b s PHE 390 Cb -0.09 -1.04 0.11 0.00 0.51 0.00 0.00 43.02 42.50 1j3b s PHE 390 CO 0.01 -0.33 0.14 0.45 0.70 0.00 0.00 175.22 176.19 1j3b s SER 391 N 1.02 3.92 0.00 1.36 0.15 -0.35 -4.98 113.70 114.82 1j3b s SER 391 Ca -0.08 -1.97 -0.34 0.00 0.70 0.00 0.00 55.95 54.26 1j3b s SER 391 Cb -0.15 -0.94 -0.17 0.00 -1.71 0.00 0.00 66.02 63.06 1j3b s SER 391 CO -0.00 -0.37 0.90 0.00 1.20 0.00 0.00 173.24 174.97 1j3b n ALA 392 N 4.42 -3.16 -1.42 5.45 0.00 -1.25 0.63 120.51 125.18 1j3b n ALA 392 Ca 0.02 0.51 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1j3b n ALA 392 Cb 0.40 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 1j3b n ALA 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3b n PHE 394 N -2.15 -0.28 -2.62 0.00 3.72 0.21 -4.57 117.46 111.76 1j3b n PHE 394 Ca -0.15 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.22 1j3b n PHE 394 Cb 0.58 -2.98 -0.00 0.00 -0.94 0.00 0.00 39.48 36.14 1j3b n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1j3b n GLY 395 N -1.01 -0.62 0.33 1.37 0.00 -0.66 -4.85 105.19 99.75 1j3b n GLY 395 Ca -0.17 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1j3b n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b h ALA 396 N 0.87 1.57 0.00 4.61 0.00 -1.47 -1.77 119.26 123.07 1j3b h ALA 396 Ca -0.43 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1j3b h ALA 396 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j3b h ALA 396 CO -0.16 -0.25 0.00 -1.35 0.00 0.00 0.00 179.25 177.49 1j3b h PRO 397 N 0.54 0.00 -0.37 0.00 0.11 -1.97 -3.01 132.00 127.31 1j3b h PRO 397 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1j3b h PRO 397 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1j3b h PRO 397 CO -0.47 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.51 1j3b n PHE 398 N -2.77 0.93 -3.59 0.65 3.72 -0.66 -4.94 117.46 110.80 1j3b n PHE 398 Ca -0.02 -0.71 -0.41 0.00 -0.05 0.00 0.00 57.45 56.27 1j3b n PHE 398 Cb 0.10 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.31 1j3b n PHE 398 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1j3b s LEU 399 N -2.09 4.92 0.29 4.37 1.43 -1.14 -4.29 118.68 122.19 1j3b s LEU 399 Ca 0.38 -1.20 0.09 0.00 -1.03 0.00 0.00 54.13 52.37 1j3b s LEU 399 Cb 0.27 -2.02 0.44 0.00 0.03 0.00 0.00 46.19 44.92 1j3b s LEU 399 CO 0.14 -0.46 1.67 -0.65 0.23 0.00 0.00 176.35 177.28 1j3b h PRO 400 N 8.44 0.10 -6.55 1.29 0.11 -1.82 -3.45 132.00 130.11 1j3b h PRO 400 Ca -0.25 -0.06 -0.44 0.00 0.11 0.00 0.00 66.00 65.36 1j3b h PRO 400 Cb 1.10 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.23 1j3b h PRO 400 CO 0.71 0.59 -0.19 -1.64 -0.21 0.00 0.00 178.00 177.26 1j3b s MET 401 N -3.90 2.98 0.28 1.05 -1.94 -1.26 -1.25 119.30 115.27 1j3b s MET 401 Ca -0.03 -0.80 -0.30 0.00 -1.71 0.00 0.00 55.69 52.85 1j3b s MET 401 Cb 0.13 -2.66 -0.11 0.00 2.01 0.00 0.00 34.83 34.20 1j3b s MET 401 CO 0.76 -0.22 1.55 -1.58 -0.01 0.00 0.00 175.02 175.53 1j3b s HIS 402 N -2.43 2.83 0.46 -0.03 2.46 -1.26 -4.73 115.29 112.59 1j3b s HIS 402 Ca 0.49 0.85 0.26 0.00 0.47 0.00 0.00 55.06 57.13 1j3b s HIS 402 Cb -0.10 -4.00 1.30 0.00 -0.13 0.00 0.00 32.58 29.65 1j3b s HIS 402 CO 0.35 -3.32 1.78 -1.35 -2.47 0.00 0.00 174.74 169.72 1j3b h PRO 403 N 4.90 0.21 -0.66 2.88 0.11 -1.93 0.12 132.00 137.64 1j3b h PRO 403 Ca -0.47 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.80 1j3b h PRO 403 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1j3b h PRO 403 CO 0.79 0.14 0.46 0.78 -0.21 0.00 0.00 178.00 179.96 1j3b h GLY 404 N 0.22 0.25 0.90 -0.55 0.00 -1.89 -0.90 103.07 101.10 1j3b h GLY 404 Ca 0.59 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.79 1j3b h GLY 404 CO -0.19 0.02 -0.08 -2.08 0.00 0.00 0.00 176.54 174.20 1j3b h VAL 405 N 0.14 1.28 -0.41 4.60 2.07 -0.97 -1.69 116.25 121.28 1j3b h VAL 405 Ca 0.32 -1.13 -0.14 0.00 0.82 0.00 0.00 66.70 66.57 1j3b h VAL 405 Cb 1.06 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1j3b h VAL 405 CO -0.05 0.36 -0.30 1.88 0.02 0.00 0.00 177.57 179.48 1j3b h TYR 406 N 0.36 1.05 -0.70 1.57 0.05 -1.35 -2.41 116.97 115.55 1j3b h TYR 406 Ca 0.08 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.57 1j3b h TYR 406 Cb 0.58 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 1j3b h TYR 406 CO 0.05 1.08 0.41 0.00 -1.05 0.00 0.00 178.16 178.65 1j3b h ALA 407 N 0.89 0.89 -0.71 3.88 0.00 -1.16 -1.08 119.26 121.97 1j3b h ALA 407 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j3b h ALA 407 Cb 0.87 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1j3b h ALA 407 CO 0.08 0.37 0.41 -0.09 0.00 0.00 0.00 179.25 180.02 1j3b h ARG 408 N 0.95 0.98 -0.42 0.00 2.43 -1.13 -1.60 114.38 115.58 1j3b h ARG 408 Ca 0.25 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1j3b h ARG 408 Cb -0.02 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1j3b h ARG 408 CO -0.05 0.71 0.24 0.52 -1.51 0.00 0.00 179.97 179.89 1j3b h MET 409 N 0.97 0.58 -0.34 0.20 2.86 -0.89 -1.56 114.93 116.76 1j3b h MET 409 Ca 0.25 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1j3b h MET 409 Cb -0.00 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 1j3b h MET 409 CO -0.04 0.45 0.03 1.25 1.06 0.00 0.00 176.91 179.66 1j3b h LEU 410 N 0.56 -0.06 -0.70 1.22 5.85 -0.79 0.36 115.31 121.74 1j3b h LEU 410 Ca 0.15 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.01 1j3b h LEU 410 Cb 0.03 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1j3b h LEU 410 CO -0.03 0.00 0.38 1.23 -0.34 0.00 0.00 178.44 179.69 1j3b h GLY 411 N 0.14 1.04 0.97 3.75 0.00 -0.93 0.27 103.07 108.31 1j3b h GLY 411 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1j3b h GLY 411 CO -0.24 0.14 0.19 0.83 0.00 0.00 0.00 176.54 177.46 1j3b h GLU 412 N 0.69 0.75 -0.61 4.80 5.08 -0.44 -1.15 114.58 123.71 1j3b h GLU 412 Ca 0.32 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1j3b h GLU 412 Cb 0.24 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1j3b h GLU 412 CO -0.21 0.68 0.13 0.87 -1.00 0.00 0.00 179.01 179.48 1j3b h LYS 413 N 0.67 0.98 -0.07 2.33 1.79 -0.15 -1.72 116.57 120.40 1j3b h LYS 413 Ca 0.17 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1j3b h LYS 413 Cb 0.21 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1j3b h LYS 413 CO -0.01 0.91 0.03 0.82 -1.08 0.00 0.00 179.45 180.12 1j3b h ILE 414 N 0.89 1.15 -0.10 1.86 2.04 -0.29 -1.21 117.51 121.85 1j3b h ILE 414 Ca 0.19 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1j3b h ILE 414 Cb 0.39 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1j3b h ILE 414 CO 0.01 0.13 -0.11 0.03 0.00 0.00 0.00 178.15 178.20 1j3b h ARG 415 N -0.05 0.15 0.09 2.37 3.08 -1.13 0.49 114.38 119.39 1j3b h ARG 415 Ca 0.02 -0.03 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 1j3b h ARG 415 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1j3b h ARG 415 CO -0.00 0.28 -1.53 -0.22 -1.07 0.00 0.00 179.97 177.42 1j3b h LYS 416 N 0.15 0.20 -0.01 0.04 3.64 -1.20 -3.38 116.57 116.02 1j3b h LYS 416 Ca 0.03 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1j3b h LYS 416 Cb 0.30 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1j3b h LYS 416 CO 0.02 1.03 -0.40 0.72 -2.27 0.00 0.00 179.45 178.55 1j3b n HIS 417 N -3.39 0.00 -3.98 1.91 8.25 -0.47 -5.03 115.22 112.50 1j3b n HIS 417 Ca -0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.97 1j3b n HIS 417 Cb 1.04 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.14 1j3b n HIS 417 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1j3b n ALA 418 N -0.26 -2.28 -2.14 -1.41 0.00 0.17 -4.97 120.51 109.62 1j3b n ALA 418 Ca 0.06 -0.36 -0.28 0.00 0.00 0.00 0.00 53.44 52.86 1j3b n ALA 418 Cb 0.34 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.53 1j3b n ALA 418 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3b s PRO 419 N -6.77 3.45 0.06 0.00 0.04 -1.26 -5.00 135.00 125.53 1j3b s PRO 419 Ca 0.23 0.31 -0.23 0.00 0.04 0.00 0.00 61.00 61.35 1j3b s PRO 419 Cb -0.10 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 1j3b s PRO 419 CO 0.92 -0.38 0.68 1.03 0.04 0.00 0.00 177.00 179.29 1j3b s ARG 420 N -4.89 4.40 -0.10 4.56 1.81 0.40 -4.92 118.95 120.20 1j3b s ARG 420 Ca 0.50 0.92 0.04 0.00 -1.72 0.00 0.00 55.73 55.47 1j3b s ARG 420 Cb -0.10 -3.31 0.00 0.00 -0.45 0.00 0.00 34.95 31.08 1j3b s ARG 420 CO 0.47 0.43 -0.23 0.08 -0.68 0.00 0.00 175.30 175.38 1j3b s VAL 421 N -0.51 2.00 0.10 3.52 1.01 -1.26 -0.17 120.40 125.09 1j3b s VAL 421 Ca 0.34 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.41 1j3b s VAL 421 Cb -0.20 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1j3b s VAL 421 CO 0.21 0.55 -0.19 -0.31 0.00 0.00 0.00 175.10 175.35 1j3b s TYR 422 N 0.43 1.69 -0.22 5.22 1.51 0.09 -0.72 117.35 125.34 1j3b s TYR 422 Ca -0.17 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.41 1j3b s TYR 422 Cb -0.17 -0.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1j3b s TYR 422 CO 0.07 0.19 0.01 -1.17 -1.11 0.00 0.00 175.55 173.54 1j3b s LEU 423 N -1.93 3.21 -0.15 -1.29 2.96 -0.26 -0.10 118.68 121.12 1j3b s LEU 423 Ca 0.06 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1j3b s LEU 423 Cb -0.10 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 1j3b s LEU 423 CO 0.04 0.01 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.24 1j3b s VAL 424 N 1.34 2.76 -0.51 1.68 1.01 0.11 -1.52 120.40 125.28 1j3b s VAL 424 Ca 0.04 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 1j3b s VAL 424 Cb -0.15 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1j3b s VAL 424 CO 0.01 0.52 0.60 0.21 0.00 0.00 0.00 175.10 176.44 1j3b s ASN 425 N 0.68 6.22 -0.17 3.32 2.47 -0.97 -1.00 114.94 125.50 1j3b s ASN 425 Ca -0.07 -0.97 0.16 0.00 0.42 0.00 0.00 52.86 52.40 1j3b s ASN 425 Cb -0.16 -2.28 0.74 0.00 -1.45 0.00 0.00 41.25 38.10 1j3b s ASN 425 CO 0.02 -0.87 1.66 0.35 -3.72 0.00 0.00 177.10 174.53 1j3b n THR 426 N 5.57 2.27 0.00 -5.21 -2.24 -0.18 -4.72 114.28 109.78 1j3b n THR 426 Ca -0.07 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1j3b n THR 426 Cb 0.45 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1j3b n THR 426 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j3b n GLY 427 N 0.73 0.55 3.54 3.38 0.00 -1.22 -4.73 105.19 107.44 1j3b n GLY 427 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 1j3b n GLY 427 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3b s TRP 428 N 1.99 2.31 0.34 1.61 0.51 -0.74 -0.70 118.94 124.25 1j3b s TRP 428 Ca 0.00 -0.66 -0.18 0.00 -2.12 0.00 0.00 56.10 53.14 1j3b s TRP 428 Cb 0.00 -1.47 0.05 0.00 -0.81 0.00 0.00 33.47 31.24 1j3b s TRP 428 CO 0.00 0.40 0.78 -0.08 -0.51 0.00 0.00 176.95 177.54 1j3b s THR 429 N -2.81 0.00 0.00 2.01 -1.32 -0.46 -4.04 115.64 109.02 1j3b s THR 429 Ca 0.33 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.83 1j3b s THR 429 Cb 0.06 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 1j3b s THR 429 CO 0.16 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.18 1j3b n GLY 430 N -0.51 0.57 0.00 6.08 0.00 -1.26 -0.69 105.19 109.38 1j3b n GLY 430 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1j3b n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3b n GLY 431 N -2.76 0.77 3.79 -0.02 0.00 -1.26 -4.21 105.19 101.50 1j3b n GLY 431 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1j3b n GLY 431 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j3b s PRO 432 N -1.19 2.06 0.12 1.61 0.04 -1.26 -4.02 135.00 132.35 1j3b s PRO 432 Ca 0.00 0.72 -0.36 0.00 0.04 0.00 0.00 61.00 61.40 1j3b s PRO 432 Cb 0.00 -1.91 -0.16 0.00 0.04 0.00 0.00 34.50 32.47 1j3b s PRO 432 CO 0.00 -1.66 1.42 0.98 0.04 0.00 0.00 177.00 177.78 1j3b n TYR 433 N -3.47 1.79 0.00 0.56 9.36 -0.90 -0.83 117.16 123.67 1j3b n TYR 433 Ca 0.07 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.79 1j3b n TYR 433 Cb 0.56 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 1j3b n TYR 433 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1j3b n GLY 434 N 2.83 2.83 0.10 2.98 0.00 -1.26 -4.75 105.19 107.92 1j3b n GLY 434 Ca 0.18 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1j3b n GLY 434 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j3b n VAL 435 N 0.00 1.20 -0.34 1.61 0.31 -0.27 -4.99 118.33 115.85 1j3b n VAL 435 Ca 0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1j3b n VAL 435 Cb 0.00 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1j3b n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j3b n GLY 436 N 2.37 -0.71 3.23 2.92 0.00 -0.01 -4.78 105.19 108.21 1j3b n GLY 436 Ca -0.35 -1.66 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 1j3b n GLY 436 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j3b s TYR 437 N -0.14 0.43 0.07 1.61 1.13 0.13 -4.92 117.35 115.66 1j3b s TYR 437 Ca 0.00 -0.84 -0.31 0.00 -1.41 0.00 0.00 57.07 54.51 1j3b s TYR 437 Cb 0.00 -0.18 -0.07 0.00 -1.10 0.00 0.00 41.96 40.61 1j3b s TYR 437 CO 0.00 -0.59 1.45 0.50 -2.51 0.00 0.00 175.55 174.41 1j3b s ARG 438 N -3.95 4.28 0.14 -3.49 6.06 -1.26 -1.36 118.95 119.37 1j3b s ARG 438 Ca 0.14 2.10 -0.32 0.00 -2.50 0.00 0.00 55.73 55.14 1j3b s ARG 438 Cb 0.05 -3.43 -0.12 0.00 0.06 0.00 0.00 34.95 31.51 1j3b s ARG 438 CO -0.04 -0.56 1.77 0.34 -2.50 0.00 0.00 175.30 174.31 1j3b n PHE 439 N 4.81 2.58 -1.68 5.12 7.35 0.12 -4.85 117.46 130.91 1j3b n PHE 439 Ca 0.13 -0.02 -0.52 0.00 -0.76 0.00 0.00 57.45 56.28 1j3b n PHE 439 Cb 0.42 -2.68 -0.06 0.00 0.35 0.00 0.00 39.48 37.51 1j3b n PHE 439 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1j3b n PRO 440 N 4.88 1.67 -0.28 -7.13 -0.02 -1.26 -4.88 135.00 127.97 1j3b n PRO 440 Ca 0.18 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 62.25 1j3b n PRO 440 Cb 0.35 -2.41 0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1j3b n PRO 440 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1j3b h LEU 441 N 8.61 0.79 -1.39 2.45 6.46 -1.98 -2.03 115.31 128.22 1j3b h LEU 441 Ca -0.46 0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.44 1j3b h LEU 441 Cb 1.29 -0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 41.00 1j3b h LEU 441 CO 0.96 0.53 0.54 -0.65 -0.62 0.00 0.00 178.44 179.20 1j3b h PRO 442 N 0.93 0.59 -0.22 5.25 0.11 -1.99 0.16 132.00 136.83 1j3b h PRO 442 Ca 0.33 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.26 1j3b h PRO 442 Cb 0.09 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1j3b h PRO 442 CO -0.14 0.39 -0.44 0.28 -0.21 0.00 0.00 178.00 177.88 1j3b h VAL 443 N 0.61 1.31 -0.87 3.15 2.07 -1.75 -0.93 116.25 119.83 1j3b h VAL 443 Ca 0.41 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1j3b h VAL 443 Cb 0.72 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 1j3b h VAL 443 CO -0.17 0.52 0.57 0.74 0.02 0.00 0.00 177.57 179.25 1j3b h THR 444 N 0.40 1.16 -0.72 2.57 2.02 -0.78 0.19 112.91 117.74 1j3b h THR 444 Ca 0.01 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 1j3b h THR 444 Cb 1.04 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1j3b h THR 444 CO 0.10 0.20 0.29 0.03 0.37 0.00 0.00 175.52 176.51 1j3b h ARG 445 N 1.11 1.06 -0.49 6.66 3.08 -0.55 -0.01 114.38 125.25 1j3b h ARG 445 Ca 0.34 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1j3b h ARG 445 Cb -0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 1j3b h ARG 445 CO -0.11 0.86 0.03 0.00 -1.07 0.00 0.00 179.97 179.68 1j3b h ALA 446 N 1.28 0.65 -0.57 0.04 0.00 0.29 -0.57 119.26 120.38 1j3b h ALA 446 Ca 0.24 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1j3b h ALA 446 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1j3b h ALA 446 CO -0.02 0.43 0.06 -0.07 0.00 0.00 0.00 179.25 179.65 1j3b h LEU 447 N 0.70 0.89 -0.52 0.00 3.38 -0.28 -1.65 115.31 117.83 1j3b h LEU 447 Ca 0.14 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1j3b h LEU 447 Cb 0.47 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1j3b h LEU 447 CO 0.02 0.91 0.10 0.25 0.09 0.00 0.00 178.44 179.81 1j3b h LEU 448 N 0.87 0.81 -0.34 1.67 5.85 -0.70 -0.64 115.31 122.84 1j3b h LEU 448 Ca 0.17 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1j3b h LEU 448 Cb 0.43 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1j3b h LEU 448 CO 0.01 0.85 0.20 0.50 -0.34 0.00 0.00 178.44 179.67 1j3b h LYS 449 N 0.74 0.46 -0.69 1.25 3.64 -0.82 -0.71 116.57 120.44 1j3b h LYS 449 Ca 0.16 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1j3b h LYS 449 Cb 0.38 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1j3b h LYS 449 CO 0.01 0.36 0.29 0.00 -2.27 0.00 0.00 179.45 177.83 1j3b h ALA 450 N 1.08 1.20 -0.38 5.00 0.00 -1.14 -1.38 119.26 123.64 1j3b h ALA 450 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1j3b h ALA 450 Cb 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j3b h ALA 450 CO -0.02 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.73 1j3b h ALA 451 N 1.31 0.52 -0.06 0.00 0.00 -0.77 -1.27 119.26 119.01 1j3b h ALA 451 Ca 0.24 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1j3b h ALA 451 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1j3b h ALA 451 CO -0.02 0.38 -0.58 -0.07 0.00 0.00 0.00 179.25 178.96 1j3b h LEU 452 N 0.53 0.20 -0.10 0.00 3.38 -0.89 -3.16 115.31 115.27 1j3b h LEU 452 Ca 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1j3b h LEU 452 Cb 0.60 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1j3b h LEU 452 CO 0.04 0.74 0.00 0.77 0.09 0.00 0.00 178.44 180.08 1j3b h SER 453 N 0.14 0.00 0.00 -0.43 4.64 -1.26 -3.47 113.55 113.17 1j3b h SER 453 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3b h SER 453 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1j3b h SER 453 CO 0.09 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1j3b n GLY 454 N 1.08 0.51 0.30 -0.77 0.00 -1.07 -4.95 105.19 100.29 1j3b n GLY 454 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1j3b n GLY 454 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3b h ALA 455 N 0.00 1.81 0.00 4.61 0.00 -1.50 -1.01 119.26 123.16 1j3b h ALA 455 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3b h ALA 455 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1j3b h ALA 455 CO 0.00 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1j3b n LEU 456 N -4.11 0.00 -0.22 0.00 4.77 -1.14 -2.59 117.00 113.72 1j3b n LEU 456 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1j3b n LEU 456 Cb 0.17 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.70 1j3b n LEU 456 CO 0.30 0.00 0.71 -0.62 -1.33 0.00 0.00 177.39 176.46 1j3b n GLU 457 N -0.96 0.82 -0.71 3.23 -0.58 -0.38 -4.07 120.64 117.99 1j3b n GLU 457 Ca 0.21 -0.44 0.06 0.00 -0.42 0.00 0.00 57.16 56.57 1j3b n GLU 457 Cb 0.09 -1.49 0.15 0.00 -0.57 0.00 0.00 31.44 29.62 1j3b n GLU 457 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1j3b n ASN 458 N -0.71 1.56 -4.36 1.62 5.03 -1.07 -5.05 115.26 112.28 1j3b n ASN 458 Ca 0.13 -3.27 -0.22 0.00 0.87 0.00 0.00 54.58 52.09 1j3b n ASN 458 Cb 0.33 -0.45 -0.11 0.00 -1.02 0.00 0.00 39.78 38.54 1j3b n ASN 458 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1j3b s VAL 459 N -2.32 1.94 0.48 2.41 -7.23 -1.26 -5.13 120.40 109.29 1j3b s VAL 459 Ca 0.34 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 58.23 1j3b s VAL 459 Cb 0.34 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.20 1j3b s VAL 459 CO -0.07 -0.40 1.00 -2.16 -0.31 0.00 0.00 175.10 173.16 1j3b s PRO 460 N -3.14 3.93 0.22 4.82 0.04 -1.26 -4.92 135.00 134.69 1j3b s PRO 460 Ca 0.20 1.21 0.09 0.00 0.04 0.00 0.00 61.00 62.54 1j3b s PRO 460 Cb -0.04 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1j3b s PRO 460 CO 0.08 -0.30 -0.16 0.71 0.04 0.00 0.00 177.00 177.37 1j3b s TYR 461 N -2.18 1.88 0.02 0.56 1.51 -1.26 -0.15 117.35 117.74 1j3b s TYR 461 Ca 0.64 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 56.26 1j3b s TYR 461 Cb -0.13 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1j3b s TYR 461 CO 0.20 0.46 -0.17 -0.98 -1.11 0.00 0.00 175.55 173.96 1j3b s ARG 462 N -3.55 1.19 -0.11 -0.62 1.70 0.76 -4.84 118.95 113.49 1j3b s ARG 462 Ca 0.24 -0.75 -0.27 0.00 -0.47 0.00 0.00 55.73 54.48 1j3b s ARG 462 Cb -0.02 -1.22 -0.02 0.00 -0.57 0.00 0.00 34.95 33.12 1j3b s ARG 462 CO 0.09 0.32 0.89 0.50 -1.08 0.00 0.00 175.30 176.01 1j3b s ARG 463 N -0.90 4.40 -0.06 3.89 6.06 -1.26 -0.56 118.95 130.51 1j3b s ARG 463 Ca 0.05 1.17 -0.30 0.00 -2.50 0.00 0.00 55.73 54.15 1j3b s ARG 463 Cb -0.08 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.37 1j3b s ARG 463 CO 0.01 -0.22 1.36 0.34 -2.50 0.00 0.00 175.30 174.28 1j3b s ASP 464 N 1.06 6.89 0.44 -2.12 2.15 -0.24 -4.90 116.67 119.95 1j3b s ASP 464 Ca 0.43 1.96 0.11 0.00 0.43 0.00 0.00 52.55 55.48 1j3b s ASP 464 Cb -0.18 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 40.87 1j3b s ASP 464 CO 0.17 -0.73 2.05 1.55 -0.17 0.00 0.00 175.17 178.05 1j3b h PRO 465 N 8.07 0.29 0.00 4.34 0.13 -1.94 0.16 132.00 143.06 1j3b h PRO 465 Ca -0.34 -0.03 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 1j3b h PRO 465 Cb 1.16 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1j3b h PRO 465 CO 0.92 0.25 -1.40 0.28 -0.23 0.00 0.00 178.00 177.81 1j3b n VAL 466 N -4.45 1.53 0.88 1.56 0.31 -1.26 -4.48 118.33 112.42 1j3b n VAL 466 Ca 0.00 -0.06 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 1j3b n VAL 466 Cb 0.12 -2.05 0.29 0.00 -0.91 0.00 0.00 33.84 31.29 1j3b n VAL 466 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1j3b n PHE 467 N -4.42 0.16 -0.16 3.52 3.01 -1.25 -0.50 117.46 117.83 1j3b n PHE 467 Ca -0.34 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.17 1j3b n PHE 467 Cb 0.68 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 1j3b n PHE 467 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j3b n GLY 468 N 1.45 1.36 3.87 1.37 0.00 0.58 -4.69 105.19 109.13 1j3b n GLY 468 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1j3b n GLY 468 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j3b s PHE 469 N -2.18 2.90 -0.11 1.61 -0.00 -1.26 -4.52 117.98 114.41 1j3b s PHE 469 Ca 0.00 0.84 -0.25 0.00 -0.00 0.00 0.00 56.93 57.52 1j3b s PHE 469 Cb 0.00 -3.39 -0.03 0.00 -0.00 0.00 0.00 43.02 39.60 1j3b s PHE 469 CO 0.00 -1.83 0.79 -1.21 -0.00 0.00 0.00 175.22 172.97 1j3b s GLU 470 N -5.46 4.38 -0.14 1.99 2.02 -1.11 -1.08 118.70 119.30 1j3b s GLU 470 Ca 0.62 0.99 0.02 0.00 0.02 0.00 0.00 54.97 56.62 1j3b s GLU 470 Cb -0.12 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.60 1j3b s GLU 470 CO 0.51 -0.15 -0.20 0.08 0.02 0.00 0.00 175.26 175.52 1j3b s VAL 471 N 1.51 2.22 0.36 2.63 1.01 0.28 -0.35 120.40 128.05 1j3b s VAL 471 Ca 0.39 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 1j3b s VAL 471 Cb -0.17 -1.90 -0.11 0.00 0.00 0.00 0.00 36.38 34.19 1j3b s VAL 471 CO 0.16 0.54 1.49 -0.81 0.00 0.00 0.00 175.10 176.48 1j3b n PRO 472 N 4.08 2.62 0.09 2.72 -0.04 -1.26 -0.17 135.00 143.05 1j3b n PRO 472 Ca -0.20 0.92 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 1j3b n PRO 472 Cb 0.52 -2.65 0.15 0.00 -0.04 0.00 0.00 33.50 31.48 1j3b n PRO 472 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1j3b h LEU 473 N 3.26 0.00 -7.02 1.53 3.38 -0.87 -3.45 115.31 112.14 1j3b h LEU 473 Ca -0.50 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1j3b h LEU 473 Cb 1.24 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 1j3b h LEU 473 CO 0.67 0.06 0.24 -1.83 0.09 0.00 0.00 178.44 177.67 1j3b s GLU 474 N -3.21 1.24 -0.24 1.13 -1.05 -1.26 -4.89 118.70 110.42 1j3b s GLU 474 Ca 0.05 -0.46 -0.26 0.00 -0.15 0.00 0.00 54.97 54.15 1j3b s GLU 474 Cb 0.12 0.57 0.07 0.00 -0.44 0.00 0.00 34.13 34.44 1j3b s GLU 474 CO 0.72 -0.54 0.71 0.00 0.95 0.00 0.00 175.26 177.09 1j3b s ALA 475 N -3.69 -1.76 0.26 -0.84 0.00 -1.26 -4.80 121.76 109.67 1j3b s ALA 475 Ca 0.02 1.91 -0.31 0.00 0.00 0.00 0.00 51.96 53.58 1j3b s ALA 475 Cb -0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 23.12 21.98 1j3b s ALA 475 CO -0.12 -0.34 1.64 -0.35 0.00 0.00 0.00 175.76 176.59 1j3b n PRO 476 N 2.45 2.70 -1.94 0.00 -0.04 -1.26 -2.40 135.00 134.51 1j3b n PRO 476 Ca -0.15 0.96 -0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1j3b n PRO 476 Cb 0.55 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.22 1j3b n PRO 476 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3b n GLY 477 N 2.87 0.43 2.90 0.55 0.00 -1.26 -4.83 105.19 105.85 1j3b n GLY 477 Ca 0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1j3b n GLY 477 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 478 N -2.63 0.64 -0.21 1.61 1.01 -1.01 -4.87 120.40 114.95 1j3b s VAL 478 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1j3b s VAL 478 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1j3b s VAL 478 CO 0.00 0.26 2.01 -2.84 0.00 0.00 0.00 175.10 174.53 1j3b s PRO 479 N 1.06 3.41 0.60 2.72 0.02 -1.26 -4.59 135.00 136.97 1j3b s PRO 479 Ca -0.09 1.94 0.31 0.00 0.02 0.00 0.00 61.00 63.18 1j3b s PRO 479 Cb -0.14 -4.26 1.82 0.00 0.02 0.00 0.00 34.50 31.94 1j3b s PRO 479 CO -0.01 -1.78 2.20 -0.56 -0.33 0.00 0.00 177.00 176.52 1j3b h GLN 480 N 13.37 0.00 0.00 5.54 -0.00 -1.90 -1.36 115.11 130.75 1j3b h GLN 480 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1j3b h GLN 480 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 1j3b h GLN 480 CO 0.98 0.00 0.00 -0.85 -0.00 0.00 0.00 178.83 178.96 1j3b n GLU 481 N -3.70 0.02 0.00 0.06 0.00 -1.26 -2.19 120.64 113.57 1j3b n GLU 481 Ca -0.01 0.33 0.11 0.00 0.00 0.00 0.00 57.16 57.59 1j3b n GLU 481 Cb 0.19 -1.54 -0.05 0.00 0.00 0.00 0.00 31.44 30.04 1j3b n GLU 481 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1j3b n LEU 482 N -1.57 1.62 0.16 -1.84 4.77 -0.51 -4.42 117.00 115.21 1j3b n LEU 482 Ca 0.02 -0.66 0.03 0.00 -0.03 0.00 0.00 56.01 55.37 1j3b n LEU 482 Cb 0.13 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.44 1j3b n LEU 482 CO 0.10 0.33 0.57 -0.07 -1.33 0.00 0.00 177.39 176.99 1j3b h LEU 483 N 1.47 0.00 -7.76 2.23 3.38 -1.57 -3.40 115.31 109.66 1j3b h LEU 483 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 1j3b h LEU 483 Cb 0.65 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.09 1j3b h LEU 483 CO 0.00 0.49 -0.27 0.21 0.09 0.00 0.00 178.44 178.96 1j3b s ASN 484 N -6.55 5.75 0.40 -0.43 3.84 -1.26 -4.54 114.94 112.15 1j3b s ASN 484 Ca 0.00 -2.49 0.17 0.00 0.21 0.00 0.00 52.86 50.76 1j3b s ASN 484 Cb 0.11 -1.99 1.06 0.00 -0.55 0.00 0.00 41.25 39.88 1j3b s ASN 484 CO 0.72 -0.53 1.81 1.55 -2.79 0.00 0.00 177.10 177.86 1j3b h PRO 485 N 7.70 0.43 -0.09 0.43 0.13 -1.86 -0.61 132.00 138.12 1j3b h PRO 485 Ca -0.05 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1j3b h PRO 485 Cb 1.02 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1j3b h PRO 485 CO 0.77 0.28 -0.00 -0.09 -0.23 0.00 0.00 178.00 178.73 1j3b h ARG 486 N 0.44 0.13 -0.00 0.86 2.43 -1.91 -1.52 114.38 114.80 1j3b h ARG 486 Ca 0.54 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1j3b h ARG 486 Cb 1.31 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1j3b h ARG 486 CO -0.25 0.15 -0.06 0.39 -1.51 0.00 0.00 179.97 178.69 1j3b n GLU 487 N -4.45 0.16 0.01 0.20 -0.58 -0.24 -3.15 120.64 112.60 1j3b n GLU 487 Ca -0.02 -0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.82 1j3b n GLU 487 Cb 0.14 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.66 1j3b n GLU 487 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1j3b n THR 488 N -1.40 0.09 -2.99 2.62 -2.24 -0.58 -4.89 114.28 104.88 1j3b n THR 488 Ca 0.09 -0.09 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1j3b n THR 488 Cb 0.31 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1j3b n THR 488 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1j3b s TRP 489 N -3.07 3.70 0.04 4.78 0.52 -1.19 -4.33 118.94 119.39 1j3b s TRP 489 Ca 0.08 1.53 -0.21 0.00 0.02 0.00 0.00 56.10 57.53 1j3b s TRP 489 Cb 0.16 -2.73 -0.14 0.00 -1.15 0.00 0.00 33.47 29.62 1j3b s TRP 489 CO 0.74 0.32 1.37 0.00 0.02 0.00 0.00 176.95 179.41 1j3b h ALA 490 N 3.47 0.21 -2.61 0.98 0.00 -1.89 -3.39 119.26 116.03 1j3b h ALA 490 Ca -0.47 -0.29 -0.73 0.00 0.00 0.00 0.00 54.91 53.42 1j3b h ALA 490 Cb 1.19 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.66 1j3b h ALA 490 CO 0.65 0.04 -0.40 0.34 0.00 0.00 0.00 179.25 179.88 1j3b s ASP 491 N -6.03 5.78 0.41 0.00 3.68 -1.26 -4.95 116.67 114.30 1j3b s ASP 491 Ca -0.14 -1.64 0.14 0.00 2.13 0.00 0.00 52.55 53.04 1j3b s ASP 491 Cb 0.05 -2.04 0.88 0.00 -1.45 0.00 0.00 42.92 40.36 1j3b s ASP 491 CO 0.74 -0.63 1.91 0.11 0.13 0.00 0.00 175.17 177.43 1j3b h LYS 492 N 8.51 0.00 -0.18 4.34 1.57 -1.85 -1.84 116.57 127.12 1j3b h LYS 492 Ca -0.24 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.37 1j3b h LYS 492 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1j3b h LYS 492 CO 0.83 0.28 -0.59 0.93 -0.57 0.00 0.00 179.45 180.34 1j3b h GLU 493 N 0.00 0.58 -0.28 3.15 4.39 -1.96 -2.12 114.58 118.34 1j3b h GLU 493 Ca -0.00 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.24 1j3b h GLU 493 Cb 0.51 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1j3b h GLU 493 CO 0.04 1.00 -0.13 0.00 -1.16 0.00 0.00 179.01 178.76 1j3b h ALA 494 N 0.92 1.26 0.09 3.43 0.00 -1.85 -1.87 119.26 121.24 1j3b h ALA 494 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1j3b h ALA 494 Cb 1.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1j3b h ALA 494 CO 0.11 0.49 -0.04 -0.92 0.00 0.00 0.00 179.25 178.89 1j3b h TYR 495 N 0.44 -0.11 -0.93 0.00 5.03 -1.03 0.28 116.97 120.66 1j3b h TYR 495 Ca 0.08 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.49 1j3b h TYR 495 Cb 0.49 0.04 -0.08 0.00 1.55 0.00 0.00 36.73 38.73 1j3b h TYR 495 CO 0.02 0.06 0.56 -0.44 -1.32 0.00 0.00 178.16 177.04 1j3b h ASP 496 N -0.26 0.83 -0.58 -2.11 3.32 -1.10 0.39 116.42 116.91 1j3b h ASP 496 Ca -0.01 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1j3b h ASP 496 Cb 0.22 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1j3b h ASP 496 CO 0.02 0.46 0.20 -0.61 -1.72 0.00 0.00 179.24 177.59 1j3b h GLN 497 N 0.92 0.88 -0.51 3.56 4.15 -1.00 -0.68 115.11 122.44 1j3b h GLN 497 Ca 0.45 -0.18 -0.09 0.00 0.77 0.00 0.00 58.65 59.60 1j3b h GLN 497 Cb 0.40 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1j3b h GLN 497 CO -0.25 0.79 -0.02 0.37 -1.93 0.00 0.00 178.83 177.79 1j3b h GLN 498 N 0.80 0.92 -0.82 1.69 5.75 0.73 -1.79 115.11 122.39 1j3b h GLN 498 Ca 0.19 -0.30 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 1j3b h GLN 498 Cb 0.26 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 1j3b h GLN 498 CO -0.01 0.95 0.35 0.00 -2.65 0.00 0.00 178.83 177.47 1j3b h ALA 499 N 0.93 1.07 -0.49 3.38 0.00 -0.06 -0.59 119.26 123.51 1j3b h ALA 499 Ca 0.14 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1j3b h ALA 499 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1j3b h ALA 499 CO 0.03 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.88 1j3b h ARG 500 N 1.18 0.87 -0.32 0.00 3.08 -0.95 -0.44 114.38 117.80 1j3b h ARG 500 Ca 0.28 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1j3b h ARG 500 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1j3b h ARG 500 CO -0.03 0.91 0.15 -0.22 -1.07 0.00 0.00 179.97 179.72 1j3b h LYS 501 N 0.79 0.46 -0.51 0.04 3.64 -0.74 -0.09 116.57 120.17 1j3b h LYS 501 Ca 0.14 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1j3b h LYS 501 Cb 0.58 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1j3b h LYS 501 CO 0.04 0.43 -0.02 1.25 -2.27 0.00 0.00 179.45 178.88 1j3b h LEU 502 N 0.38 0.85 -0.71 5.20 5.85 -0.93 -1.61 115.31 124.33 1j3b h LEU 502 Ca 0.11 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1j3b h LEU 502 Cb 0.13 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1j3b h LEU 502 CO -0.01 0.92 0.43 0.00 -0.34 0.00 0.00 178.44 179.44 1j3b h ALA 503 N 1.17 0.91 -0.14 1.25 0.00 -0.70 -1.35 119.26 120.39 1j3b h ALA 503 Ca 0.15 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1j3b h ALA 503 Cb 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1j3b h ALA 503 CO 0.03 0.38 -0.25 0.00 0.00 0.00 0.00 179.25 179.40 1j3b h ARG 504 N 0.97 0.25 -0.48 0.00 3.08 -0.58 -0.90 114.38 116.73 1j3b h ARG 504 Ca 0.26 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 1j3b h ARG 504 Cb -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1j3b h ARG 504 CO -0.05 0.49 0.04 -0.07 -1.07 0.00 0.00 179.97 179.32 1j3b h LEU 505 N 0.23 0.79 -0.18 3.04 3.38 -0.50 -0.79 115.31 121.27 1j3b h LEU 505 Ca 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1j3b h LEU 505 Cb 0.58 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1j3b h LEU 505 CO 0.04 0.87 0.07 -0.26 0.09 0.00 0.00 178.44 179.26 1j3b h PHE 506 N 0.68 0.27 -0.57 1.13 -1.00 -0.80 -2.00 116.94 114.65 1j3b h PHE 506 Ca 0.14 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.92 1j3b h PHE 506 Cb 0.44 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 1j3b h PHE 506 CO 0.03 0.33 0.36 0.37 -1.61 0.00 0.00 178.31 177.79 1j3b h GLN 507 N 0.14 0.70 -0.62 1.51 4.15 -1.04 -0.38 115.11 119.58 1j3b h GLN 507 Ca 0.06 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1j3b h GLN 507 Cb 0.17 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 1j3b h GLN 507 CO -0.01 0.47 0.18 0.93 -1.93 0.00 0.00 178.83 178.47 1j3b h GLU 508 N 0.73 0.96 -0.54 1.69 5.08 -1.10 -2.83 114.58 118.57 1j3b h GLU 508 Ca 0.22 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1j3b h GLU 508 Cb -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1j3b h GLU 508 CO -0.07 0.86 0.19 -0.97 -1.00 0.00 0.00 179.01 178.01 1j3b h ASN 509 N 0.88 0.77 -0.02 1.42 -1.24 -0.96 -2.74 115.58 113.69 1j3b h ASN 509 Ca 0.20 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1j3b h ASN 509 Cb 0.30 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 1j3b h ASN 509 CO -0.00 0.76 0.02 0.15 -1.29 0.00 0.00 177.43 177.06 1j3b h PHE 510 N 0.74 0.00 -0.48 0.67 3.57 -0.88 -3.08 116.94 117.48 1j3b h PHE 510 Ca 0.18 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.76 1j3b h PHE 510 Cb 0.25 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 1j3b h PHE 510 CO 0.01 0.00 0.06 1.96 -2.23 0.00 0.00 178.31 178.11 1j3b h GLN 511 N 0.00 0.18 0.00 1.11 1.08 -1.25 0.34 115.11 116.56 1j3b h GLN 511 Ca 0.01 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1j3b h GLN 511 Cb 0.04 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1j3b h GLN 511 CO -0.00 0.12 0.00 0.36 -0.95 0.00 0.00 178.83 178.36 1j3b n LYS 512 N -5.16 0.12 -0.00 1.46 2.85 -1.16 -2.24 118.16 114.03 1j3b n LYS 512 Ca 0.05 0.59 0.03 0.00 -1.05 0.00 0.00 58.31 57.93 1j3b n LYS 512 Cb 0.25 -1.88 -0.04 0.00 -0.65 0.00 0.00 35.03 32.71 1j3b n LYS 512 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1j3b n TYR 513 N -2.14 0.00 -0.32 5.58 4.01 -0.45 -4.75 117.16 119.10 1j3b n TYR 513 Ca -0.01 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.88 1j3b n TYR 513 Cb 0.05 -0.05 0.34 0.00 -0.31 0.00 0.00 39.34 39.37 1j3b n TYR 513 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j3b h ALA 514 N 0.72 1.57 0.00 -0.72 0.00 -0.53 -0.41 119.26 119.90 1j3b h ALA 514 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1j3b h ALA 514 Cb 0.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j3b h ALA 514 CO 0.00 -0.32 0.00 -1.13 0.00 0.00 0.00 179.25 177.80 1j3b n SER 515 N -4.99 0.47 -0.10 0.00 3.41 -1.26 -2.42 113.62 108.73 1j3b n SER 515 Ca 0.24 0.66 0.01 0.00 -0.26 0.00 0.00 58.87 59.52 1j3b n SER 515 Cb 0.69 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1j3b n SER 515 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j3b n GLY 516 N -0.70 1.80 3.48 5.00 0.00 -0.18 -5.03 105.19 109.57 1j3b n GLY 516 Ca 0.01 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1j3b n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3b s VAL 517 N -0.77 2.92 0.64 1.61 1.01 -1.01 -4.24 120.40 120.56 1j3b s VAL 517 Ca 0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 1j3b s VAL 517 Cb 0.02 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1j3b s VAL 517 CO 0.03 0.30 1.15 0.00 0.00 0.00 0.00 175.10 176.58 1j3b n ALA 518 N 1.41 0.70 0.04 5.51 0.00 -1.26 -4.88 120.51 122.03 1j3b n ALA 518 Ca -0.16 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.28 1j3b n ALA 518 Cb 0.52 -2.23 0.35 0.00 0.00 0.00 0.00 19.45 18.09 1j3b n ALA 518 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1j3b h LYS 519 N 0.43 0.42 -0.18 0.00 2.10 -1.99 -2.65 116.57 114.71 1j3b h LYS 519 Ca -0.50 -0.08 -0.01 0.00 -2.00 0.00 0.00 60.65 58.06 1j3b h LYS 519 Cb 1.35 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 1j3b h LYS 519 CO 0.52 0.46 0.06 1.05 -2.00 0.00 0.00 179.45 179.53 1j3b h GLU 520 N 0.41 0.24 -0.04 0.07 4.11 -1.99 -1.99 114.58 115.38 1j3b h GLU 520 Ca 0.09 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 59.39 1j3b h GLU 520 Cb 0.29 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1j3b h GLU 520 CO 0.01 0.22 -0.38 0.28 0.07 0.00 0.00 179.01 179.21 1j3b h VAL 521 N 0.25 1.44 -0.38 -1.06 2.07 -1.76 -3.00 116.25 113.82 1j3b h VAL 521 Ca 0.06 -1.85 0.08 0.00 0.82 0.00 0.00 66.70 65.82 1j3b h VAL 521 Cb 0.08 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1j3b h VAL 521 CO -0.01 0.53 0.27 0.00 0.02 0.00 0.00 177.57 178.38 1j3b h ALA 522 N 0.37 2.17 0.00 1.67 0.00 -1.35 -0.88 119.26 121.25 1j3b h ALA 522 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j3b h ALA 522 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1j3b h ALA 522 CO 0.08 -0.26 -0.18 0.93 0.00 0.00 0.00 179.25 179.81 1j3b h GLU 523 N 0.15 0.00 -0.05 0.00 5.08 -1.36 -3.19 114.58 115.21 1j3b h GLU 523 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1j3b h GLU 523 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1j3b h GLU 523 CO -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 1j3b n ALA 524 N -1.83 2.59 -1.05 3.43 0.00 -0.34 -4.91 120.51 118.41 1j3b n ALA 524 Ca 0.05 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 1j3b n ALA 524 Cb 0.44 -1.26 0.20 0.00 0.00 0.00 0.00 19.45 18.84 1j3b n ALA 524 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j3b s GLY 525 N -1.76 1.56 0.75 0.00 0.00 -1.21 -4.76 107.32 101.90 1j3b s GLY 525 Ca 0.36 -0.45 -0.11 0.00 0.00 0.00 0.00 44.72 44.52 1j3b s GLY 525 CO 0.29 0.24 1.08 -4.14 0.00 0.00 0.00 173.10 170.57 1j3b s PRO 526 N -4.96 2.46 0.06 2.90 0.02 -1.26 -4.90 135.00 129.32 1j3b s PRO 526 Ca 0.67 1.06 -0.26 0.00 0.02 0.00 0.00 61.00 62.49 1j3b s PRO 526 Cb -0.18 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.35 1j3b s PRO 526 CO 0.58 -1.47 0.80 1.03 -0.33 0.00 0.00 177.00 177.61 1j3b s ARG 527 N -4.96 4.53 0.00 5.54 0.52 0.35 -4.98 118.95 119.94 1j3b s ARG 527 Ca 0.60 1.13 0.19 0.00 -0.52 0.00 0.00 55.73 57.13 1j3b s ARG 527 Cb -0.16 -3.36 0.15 0.00 0.52 0.00 0.00 34.95 32.10 1j3b s ARG 527 CO 0.56 0.28 1.11 2.41 0.02 0.00 0.00 175.30 179.68