#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dwj s ILE 4 N 0.00 5.26 -0.11 6.31 1.01 -1.26 -5.07 121.20 127.34 1dwj s ILE 4 Ca 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 1dwj s ILE 4 Cb 0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1dwj s ILE 4 CO 0.00 0.30 -0.10 -0.89 0.00 0.00 0.00 174.94 174.25 1dwj s THR 5 N 1.14 3.36 -0.01 2.92 2.01 -1.26 -5.04 115.64 118.77 1dwj s THR 5 Ca 0.15 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1dwj s THR 5 Cb -0.14 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1dwj s THR 5 CO 0.06 0.54 -0.18 0.00 -0.69 0.00 0.00 174.62 174.35 1dwj s GLN 7 N -0.47 4.30 -0.01 0.00 -0.21 -1.26 -4.97 119.66 117.04 1dwj s GLN 7 Ca 0.07 0.89 0.14 0.00 0.02 0.00 0.00 55.36 56.48 1dwj s GLN 7 Cb -0.07 -3.03 -0.19 0.00 1.00 0.00 0.00 33.01 30.73 1dwj s GLN 7 CO -0.01 0.48 0.41 0.39 -2.12 0.00 0.00 175.29 174.45 1dwj n GLU 8 N 1.08 1.29 -4.30 2.91 1.02 -1.26 -4.91 120.64 116.47 1dwj n GLU 8 Ca -0.05 -0.08 -0.23 0.00 -0.02 0.00 0.00 57.16 56.79 1dwj n GLU 8 Cb 0.50 -1.25 -0.12 0.00 -0.02 0.00 0.00 31.44 30.56 1dwj n GLU 8 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1dwj s ASN 9 N -3.05 2.57 0.55 1.62 0.01 -1.26 -4.66 114.94 110.72 1dwj s ASN 9 Ca -0.01 -0.77 -0.21 0.00 -0.71 0.00 0.00 52.86 51.16 1dwj s ASN 9 Cb 0.09 -0.14 -0.05 0.00 0.41 0.00 0.00 41.25 41.56 1dwj s ASN 9 CO 0.57 0.01 1.24 0.18 -1.51 0.00 0.00 177.10 177.58 1dwj n LEU 10 N 0.70 4.89 -4.83 0.60 4.77 -1.26 -4.13 117.00 117.74 1dwj n LEU 10 Ca -0.16 0.94 -0.37 0.00 -0.03 0.00 0.00 56.01 56.39 1dwj n LEU 10 Cb 0.55 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.07 1dwj n LEU 10 CO 0.26 -0.95 0.18 -2.16 -1.33 0.00 0.00 177.39 173.38 1dwj s PRO 11 N -2.79 4.00 0.41 3.23 0.04 -1.26 -5.15 135.00 133.47 1dwj s PRO 11 Ca 0.72 0.50 -0.12 0.00 0.04 0.00 0.00 61.00 62.15 1dwj s PRO 11 Cb -0.43 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 30.90 1dwj s PRO 11 CO 0.49 0.62 0.80 -0.06 0.04 0.00 0.00 177.00 178.88 1dwj s PHE 12 N -1.21 3.46 -0.01 0.56 0.08 -1.26 -4.98 117.98 114.62 1dwj s PHE 12 Ca 0.29 1.12 0.01 0.00 0.12 0.00 0.00 56.93 58.47 1dwj s PHE 12 Cb -0.17 -2.50 0.01 0.00 -0.57 0.00 0.00 43.02 39.80 1dwj s PHE 12 CO 0.17 -0.12 0.89 0.25 -0.10 0.00 0.00 175.22 176.30 1dwj n THR 13 N -1.25 0.79 1.55 0.64 -2.24 -1.26 -4.64 114.28 107.86 1dwj n THR 13 Ca 0.03 -0.81 0.14 0.00 -2.27 0.00 0.00 64.05 61.15 1dwj n THR 13 Cb 0.54 0.58 0.78 0.00 -2.10 0.00 0.00 70.33 70.13 1dwj n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dwj n GLY 15 N 1.02 -0.88 3.63 0.00 0.00 -1.26 -4.51 105.19 103.19 1dwj n GLY 15 Ca 0.17 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1dwj n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dwj s ASN 16 N -3.00 6.76 0.00 1.61 3.84 -1.18 -4.95 114.94 118.02 1dwj s ASN 16 Ca 0.05 0.91 0.28 0.00 0.21 0.00 0.00 52.86 54.31 1dwj s ASN 16 Cb 0.07 -2.42 1.65 0.00 -0.55 0.00 0.00 41.25 40.00 1dwj s ASN 16 CO 0.20 -0.52 2.02 0.35 -2.79 0.00 0.00 177.10 176.37 1dwj n THR 17 N 5.31 0.00 0.08 -5.21 -2.24 -1.25 -1.28 114.28 109.68 1dwj n THR 17 Ca 0.04 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.79 1dwj n THR 17 Cb 0.48 -0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 68.13 1dwj n THR 17 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1dwj h ASP 18 N 0.00 0.00 0.18 3.42 3.32 -1.94 -3.33 116.42 118.07 1dwj h ASP 18 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1dwj h ASP 18 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1dwj h ASP 18 CO 0.00 0.82 -1.98 0.00 -1.72 0.00 0.00 179.24 176.36 1dwj n ALA 19 N -2.33 2.16 -3.69 3.45 0.00 -0.41 -4.97 120.51 114.73 1dwj n ALA 19 Ca -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 1dwj n ALA 19 Cb 0.88 -0.60 -0.11 0.00 0.00 0.00 0.00 19.45 19.62 1dwj n ALA 19 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1dwj s LEU 20 N -5.14 -0.18 0.36 0.00 2.96 -0.81 -5.06 118.68 110.80 1dwj s LEU 20 Ca -0.07 0.86 -0.16 0.00 -0.22 0.00 0.00 54.13 54.53 1dwj s LEU 20 Cb 0.10 1.25 0.06 0.00 0.50 0.00 0.00 46.19 48.09 1dwj s LEU 20 CO 0.86 -0.20 0.82 0.54 -1.32 0.00 0.00 176.35 177.04 1dwj s ASN 21 N 1.73 0.00 0.59 3.68 2.20 -1.26 -3.95 114.94 117.93 1dwj s ASN 21 Ca -0.07 -1.10 0.34 0.00 -0.94 0.00 0.00 52.86 51.09 1dwj s ASN 21 Cb -0.10 0.82 1.86 0.00 -2.00 0.00 0.00 41.25 41.83 1dwj s ASN 21 CO -0.12 -1.62 2.22 0.77 -2.94 0.00 0.00 177.10 175.41 1dwj h SER 22 N 2.00 0.00 0.66 3.54 4.64 -0.90 -1.13 113.55 122.36 1dwj h SER 22 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1dwj h SER 22 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1dwj h SER 22 CO 0.40 0.03 0.00 -1.20 -0.87 0.00 0.00 176.83 175.20 1dwj n SER 23 N -3.52 0.43 0.24 4.97 7.64 -1.26 -0.86 113.62 121.26 1dwj n SER 23 Ca -0.02 0.61 0.16 0.00 1.01 0.00 0.00 58.87 60.62 1dwj n SER 23 Cb 0.14 -0.70 0.65 0.00 -1.01 0.00 0.00 64.21 63.29 1dwj n SER 23 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1dwj h SER 24 N 0.00 0.00 -1.47 6.43 0.02 -1.61 -3.45 113.55 113.46 1dwj h SER 24 Ca 0.00 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.49 1dwj h SER 24 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1dwj h SER 24 CO 0.00 0.00 -0.33 -0.36 -1.14 0.00 0.00 176.83 175.00 1dwj s PHE 25 N -3.59 2.73 0.72 3.45 0.40 -0.04 -5.07 117.98 116.58 1dwj s PHE 25 Ca 0.02 -0.46 -0.16 0.00 -0.60 0.00 0.00 56.93 55.73 1dwj s PHE 25 Cb 0.09 -2.25 0.03 0.00 0.51 0.00 0.00 43.02 41.40 1dwj s PHE 25 CO 0.50 -0.25 1.24 -1.12 0.70 0.00 0.00 175.22 176.29 1dwj s SER 26 N -4.22 4.17 0.49 1.36 0.01 -1.26 -4.87 113.70 109.38 1dwj s SER 26 Ca 0.51 2.47 0.24 0.00 1.31 0.00 0.00 55.95 60.48 1dwj s SER 26 Cb -0.06 -2.60 1.27 0.00 0.21 0.00 0.00 66.02 64.84 1dwj s SER 26 CO 0.30 -2.28 2.02 0.77 0.41 0.00 0.00 173.24 174.45 1dwj h SER 27 N -0.14 0.00 0.15 2.44 4.64 -1.94 -0.22 113.55 118.48 1dwj h SER 27 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1dwj h SER 27 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1dwj h SER 27 CO 0.50 0.16 -0.07 -0.90 -0.87 0.00 0.00 176.83 175.65 1dwj n ASP 28 N -3.76 0.78 -4.71 4.97 5.75 -1.26 -4.92 116.55 113.40 1dwj n ASP 28 Ca -0.02 -1.00 -0.42 0.00 -0.01 0.00 0.00 54.79 53.34 1dwj n ASP 28 Cb 0.27 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1dwj n ASP 28 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1dwj n PHE 29 N -0.56 2.74 -3.10 2.11 7.35 -0.10 -4.96 117.46 120.94 1dwj n PHE 29 Ca 0.18 0.01 -0.40 0.00 -0.76 0.00 0.00 57.45 56.47 1dwj n PHE 29 Cb 0.28 -2.68 -0.06 0.00 0.35 0.00 0.00 39.48 37.36 1dwj n PHE 29 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1dwj s ILE 30 N 1.41 5.00 -0.11 -2.13 -1.09 -1.02 -5.00 121.20 118.26 1dwj s ILE 30 Ca 0.76 1.18 0.00 0.00 -2.23 0.00 0.00 60.65 60.36 1dwj s ILE 30 Cb -0.50 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.41 1dwj s ILE 30 CO 0.33 0.07 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.63 1dwj s PHE 31 N 2.18 2.82 0.00 3.97 0.08 -1.26 -0.92 117.98 124.86 1dwj s PHE 31 Ca 0.28 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1dwj s PHE 31 Cb -0.16 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1dwj s PHE 31 CO 0.09 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 175.54 1dwj n GLY 32 N 3.23 3.09 3.37 4.36 0.00 -0.22 -1.46 105.19 117.56 1dwj n GLY 32 Ca -0.18 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1dwj n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dwj s VAL 33 N -2.49 0.76 0.12 1.61 -7.23 -1.14 -0.28 120.40 111.75 1dwj s VAL 33 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1dwj s VAL 33 Cb 0.00 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1dwj s VAL 33 CO 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 174.72 1dwj s ALA 34 N -3.56 1.18 0.35 1.32 0.00 0.11 -1.89 121.76 119.27 1dwj s ALA 34 Ca 0.37 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 1dwj s ALA 34 Cb 0.08 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1dwj s ALA 34 CO 0.15 -0.21 0.62 -1.54 0.00 0.00 0.00 175.76 174.78 1dwj s SER 35 N -3.10 0.41 0.08 0.00 1.04 -0.55 -2.04 113.70 109.53 1dwj s SER 35 Ca 0.15 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.33 1dwj s SER 35 Cb 0.05 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 1dwj s SER 35 CO -0.02 -1.46 -0.06 -0.94 0.98 0.00 0.00 173.24 171.75 1dwj s SER 36 N -3.14 0.95 0.08 7.02 1.04 -1.26 -4.20 113.70 114.19 1dwj s SER 36 Ca 0.23 -0.95 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 1dwj s SER 36 Cb -0.03 0.11 -0.15 0.00 0.10 0.00 0.00 66.02 66.05 1dwj s SER 36 CO 0.15 -0.47 1.71 0.00 0.98 0.00 0.00 173.24 175.61 1dwj h ALA 37 N 3.17 -0.01 0.00 5.32 0.00 -1.91 -2.21 119.26 123.61 1dwj h ALA 37 Ca -0.35 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1dwj h ALA 37 Cb 1.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1dwj h ALA 37 CO 0.62 -0.49 -0.17 -0.92 0.00 0.00 0.00 179.25 178.29 1dwj h TYR 38 N -0.04 0.00 0.00 0.00 3.20 -1.94 -0.68 116.97 117.51 1dwj h TYR 38 Ca -0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1dwj h TYR 38 Cb 0.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1dwj h TYR 38 CO -0.07 0.17 -0.42 1.96 -1.64 0.00 0.00 178.16 178.17 1dwj h GLN 39 N 0.00 0.00 0.00 1.82 4.20 -1.70 -3.40 115.11 116.03 1dwj h GLN 39 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1dwj h GLN 39 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1dwj h GLN 39 CO 0.02 0.36 -0.60 0.44 -0.67 0.00 0.00 178.83 178.38 1dwj n ILE 40 N -3.17 0.00 0.00 2.54 -5.35 -0.88 -2.42 119.36 110.08 1dwj n ILE 40 Ca 0.02 -0.08 -0.18 0.00 -0.27 0.00 0.00 62.75 62.24 1dwj n ILE 40 Cb 0.68 0.52 -0.14 0.00 -1.74 0.00 0.00 39.64 38.96 1dwj n ILE 40 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1dwj h GLU 41 N 0.00 0.18 0.00 6.28 5.08 -1.35 0.11 114.58 124.89 1dwj h GLU 41 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1dwj h GLU 41 Cb 0.00 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1dwj h GLU 41 CO 0.00 1.15 0.00 0.41 -1.00 0.00 0.00 179.01 179.57 1dwj n GLY 42 N 1.65 0.59 0.03 -3.84 0.00 -1.25 -2.82 105.19 99.54 1dwj n GLY 42 Ca -0.14 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1dwj n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dwj n THR 43 N 0.66 0.28 -1.68 2.61 -2.24 -0.24 -4.87 114.28 108.80 1dwj n THR 43 Ca 0.00 -0.03 -0.47 0.00 -2.27 0.00 0.00 64.05 61.28 1dwj n THR 43 Cb 0.00 -0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 67.59 1dwj n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dwj n ILE 44 N -1.70 0.40 -0.87 2.28 3.06 -1.26 -2.42 119.36 118.86 1dwj n ILE 44 Ca 0.06 -0.07 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 1dwj n ILE 44 Cb 0.34 -1.81 0.00 0.00 0.54 0.00 0.00 39.64 38.71 1dwj n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1dwj n GLY 45 N 4.10 0.68 3.29 4.50 0.00 -1.26 -5.01 105.19 111.49 1dwj n GLY 45 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1dwj n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dwj s ARG 46 N -0.13 1.20 1.10 1.61 1.70 -1.01 -4.81 118.95 118.61 1dwj s ARG 46 Ca 0.00 -1.57 -0.18 0.00 -0.47 0.00 0.00 55.73 53.51 1dwj s ARG 46 Cb 0.00 -0.59 0.25 0.00 -0.57 0.00 0.00 34.95 34.04 1dwj s ARG 46 CO 0.00 -0.03 1.19 0.20 -1.08 0.00 0.00 175.30 175.58 1dwj s GLY 47 N -3.24 1.66 0.10 3.88 0.00 0.15 -4.95 107.32 104.93 1dwj s GLY 47 Ca 0.23 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 1dwj s GLY 47 CO 0.05 -0.20 0.35 1.08 0.00 0.00 0.00 173.10 174.39 1dwj s LEU 48 N -6.51 4.31 0.47 0.66 1.43 -1.26 -4.71 118.68 113.06 1dwj s LEU 48 Ca 0.72 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.46 1dwj s LEU 48 Cb -0.08 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1dwj s LEU 48 CO 0.55 0.12 0.02 0.54 0.23 0.00 0.00 176.35 177.80 1dwj s ASN 49 N -2.17 3.88 0.53 2.29 2.20 -1.26 -0.87 114.94 119.54 1dwj s ASN 49 Ca 0.37 -1.56 0.29 0.00 -0.94 0.00 0.00 52.86 51.01 1dwj s ASN 49 Cb -0.13 0.23 1.51 0.00 -2.00 0.00 0.00 41.25 40.86 1dwj s ASN 49 CO 0.22 -0.73 2.09 0.16 -2.94 0.00 0.00 177.10 175.90 1dwj h ILE 50 N 1.54 0.51 0.00 0.54 3.07 -1.18 -0.96 117.51 121.03 1dwj h ILE 50 Ca -0.43 -0.47 -0.17 0.00 1.55 0.00 0.00 64.86 65.33 1dwj h ILE 50 Cb 1.29 1.32 -0.02 0.00 -0.27 0.00 0.00 36.82 39.13 1dwj h ILE 50 CO 0.75 0.10 -0.80 -0.50 -1.05 0.00 0.00 178.15 176.64 1dwj h TRP 51 N 0.00 0.00 -0.40 0.16 4.06 -1.83 0.37 115.95 118.31 1dwj h TRP 51 Ca -0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 1dwj h TRP 51 Cb 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1dwj h TRP 51 CO 0.00 0.80 -0.03 -0.44 -3.56 0.00 0.00 178.44 175.21 1dwj h ASP 52 N 0.00 0.73 0.03 -3.49 3.32 -1.60 -1.75 116.42 113.66 1dwj h ASP 52 Ca -0.01 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 56.72 1dwj h ASP 52 Cb 1.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1dwj h ASP 52 CO 0.10 0.88 -0.07 1.23 -1.72 0.00 0.00 179.24 179.66 1dwj h GLY 53 N 0.56 -0.11 0.86 2.75 0.00 -1.19 -2.43 103.07 103.51 1dwj h GLY 53 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1dwj h GLY 53 CO 0.03 -0.08 -0.08 -2.75 0.00 0.00 0.00 176.54 173.66 1dwj h PHE 54 N -0.14 -0.20 0.00 5.60 3.57 -0.91 0.94 116.94 125.80 1dwj h PHE 54 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1dwj h PHE 54 Cb 0.16 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1dwj h PHE 54 CO -0.12 -0.01 -0.05 1.79 -2.23 0.00 0.00 178.31 177.69 1dwj h THR 55 N -0.36 0.37 0.09 4.41 1.35 -1.30 -0.70 112.91 116.77 1dwj h THR 55 Ca -0.02 -0.28 -0.36 0.00 -0.55 0.00 0.00 66.41 65.20 1dwj h THR 55 Cb 0.28 1.20 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 1dwj h THR 55 CO 0.04 0.05 -2.02 1.41 -0.25 0.00 0.00 175.52 174.75 1dwj n HIS 56 N -3.51 1.03 0.07 4.73 8.25 -0.92 -3.37 115.22 121.50 1dwj n HIS 56 Ca -0.02 0.24 -0.13 0.00 -0.26 0.00 0.00 57.72 57.55 1dwj n HIS 56 Cb 0.17 -1.14 -0.05 0.00 1.12 0.00 0.00 29.99 30.09 1dwj n HIS 56 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1dwj h ARG 57 N 0.05 0.39 -2.23 -0.41 2.43 -0.68 -3.36 114.38 110.57 1dwj h ARG 57 Ca -0.42 -0.43 -0.59 0.00 -0.81 0.00 0.00 59.98 57.72 1dwj h ARG 57 Cb 2.02 0.12 -0.41 0.00 -0.42 0.00 0.00 29.97 31.29 1dwj h ARG 57 CO 0.06 1.10 -0.72 0.66 -1.51 0.00 0.00 179.97 179.56 1dwj n TYR 58 N -3.73 2.52 0.31 2.20 4.01 -0.28 -4.95 117.16 117.23 1dwj n TYR 58 Ca -0.07 -4.00 0.18 0.00 -0.16 0.00 0.00 57.90 53.85 1dwj n TYR 58 Cb 0.84 -0.49 1.01 0.00 -0.31 0.00 0.00 39.34 40.39 1dwj n TYR 58 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1dwj h PRO 59 N 4.29 0.00 -0.01 -0.72 0.13 -1.71 -0.27 132.00 133.71 1dwj h PRO 59 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1dwj h PRO 59 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1dwj h PRO 59 CO 0.72 0.01 0.00 0.27 -0.23 0.00 0.00 178.00 178.78 1dwj n ASN 60 N -3.50 0.25 -0.00 1.44 0.23 -1.26 -2.68 115.26 109.74 1dwj n ASN 60 Ca -0.03 -1.22 0.08 0.00 -0.53 0.00 0.00 54.58 52.89 1dwj n ASN 60 Cb 0.10 -0.01 -0.11 0.00 -2.08 0.00 0.00 39.78 37.69 1dwj n ASN 60 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1dwj n LYS 61 N -0.74 1.07 0.23 -3.83 5.02 -0.12 -4.33 118.16 115.46 1dwj n LYS 61 Ca 0.20 -0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.56 1dwj n LYS 61 Cb 0.13 -1.35 0.43 0.00 -0.02 0.00 0.00 35.03 34.22 1dwj n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1dwj h SER 62 N 0.00 0.00 -0.68 4.39 0.87 -1.45 -3.36 113.55 113.32 1dwj h SER 62 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1dwj h SER 62 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1dwj h SER 62 CO 0.00 0.16 0.00 0.61 -0.53 0.00 0.00 176.83 177.07 1dwj n GLY 63 N 0.39 3.35 0.15 5.77 0.00 -1.25 -2.62 105.19 110.98 1dwj n GLY 63 Ca 0.01 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.16 1dwj n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dwj h PRO 64 N 0.00 0.00 -0.21 1.61 0.11 -1.78 -1.56 132.00 130.17 1dwj h PRO 64 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1dwj h PRO 64 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1dwj h PRO 64 CO 0.00 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.39 1dwj n ASP 65 N -2.30 3.16 -1.78 -2.05 5.75 -1.26 -4.97 116.55 113.11 1dwj n ASP 65 Ca 0.01 -1.96 -0.18 0.00 -0.01 0.00 0.00 54.79 52.64 1dwj n ASP 65 Cb 0.17 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.08 1dwj n ASP 65 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1dwj n HIS 66 N 1.36 -0.42 -1.27 2.11 8.25 -0.59 -4.96 115.22 119.71 1dwj n HIS 66 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.32 1dwj n HIS 66 Cb 0.58 -3.28 0.11 0.00 1.12 0.00 0.00 29.99 28.52 1dwj n HIS 66 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1dwj s GLY 67 N -2.40 1.65 0.16 -1.41 0.00 -1.26 -4.86 107.32 99.19 1dwj s GLY 67 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.78 1dwj s GLY 67 CO 0.00 0.50 0.25 1.16 0.00 0.00 0.00 173.10 175.00 1dwj n ASN 68 N -3.66 -0.70 -1.40 1.64 0.23 -1.26 -4.45 115.26 105.65 1dwj n ASN 68 Ca 0.08 -1.83 -0.03 0.00 -0.53 0.00 0.00 54.58 52.28 1dwj n ASN 68 Cb 0.54 1.26 0.17 0.00 -2.08 0.00 0.00 39.78 39.67 1dwj n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dwj n GLY 69 N -0.26 2.70 0.09 4.83 0.00 -1.26 -4.45 105.19 106.83 1dwj n GLY 69 Ca -0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 1dwj n GLY 69 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dwj h ASP 70 N 1.51 -0.09 0.00 1.61 5.19 -1.94 -3.31 116.42 119.38 1dwj h ASP 70 Ca 0.13 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1dwj h ASP 70 Cb 1.57 0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.15 1dwj h ASP 70 CO 0.39 -0.03 -0.68 0.35 -3.12 0.00 0.00 179.24 176.16 1dwj n THR 71 N -5.14 0.00 0.00 0.35 -2.24 -1.26 -1.08 114.28 104.90 1dwj n THR 71 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1dwj n THR 71 Cb 0.09 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1dwj n THR 71 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1dwj n THR 72 N -1.69 0.00 0.36 4.28 5.66 -1.26 -0.59 114.28 121.04 1dwj n THR 72 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 1dwj n THR 72 Cb 0.34 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.35 1dwj n THR 72 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dwj n ASP 74 N 1.02 -2.17 0.00 0.00 2.03 0.24 -4.81 116.55 112.86 1dwj n ASP 74 Ca 0.17 -0.78 0.08 0.00 0.52 0.00 0.00 54.79 54.79 1dwj n ASP 74 Cb 0.44 -4.19 0.41 0.00 -0.72 0.00 0.00 41.12 37.06 1dwj n ASP 74 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1dwj n SER 75 N -3.02 0.00 -0.23 1.67 7.64 0.01 -1.35 113.62 118.34 1dwj n SER 75 Ca -0.22 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 1dwj n SER 75 Cb 0.64 -0.36 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 1dwj n SER 75 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1dwj h PHE 76 N 0.00 1.18 0.15 1.43 3.57 -1.74 -1.64 116.94 119.89 1dwj h PHE 76 Ca 0.00 -0.18 -0.33 0.00 3.53 0.00 0.00 57.97 61.00 1dwj h PHE 76 Cb 0.21 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 1dwj h PHE 76 CO 0.00 1.00 -1.68 0.77 -2.23 0.00 0.00 178.31 176.17 1dwj h SER 77 N 1.02 0.49 -0.62 0.41 0.02 -1.57 -3.39 113.55 109.91 1dwj h SER 77 Ca 0.20 -0.91 -0.30 0.00 -0.84 0.00 0.00 61.79 59.94 1dwj h SER 77 Cb 0.48 -0.16 -0.18 0.00 0.14 0.00 0.00 62.40 62.68 1dwj h SER 77 CO 0.02 1.74 0.22 -1.22 -1.14 0.00 0.00 176.83 176.45 1dwj n TYR 78 N -3.70 1.92 -0.04 3.45 4.01 -0.46 -4.56 117.16 117.78 1dwj n TYR 78 Ca -0.26 -1.63 0.15 0.00 -0.16 0.00 0.00 57.90 56.00 1dwj n TYR 78 Cb 1.00 -0.67 0.58 0.00 -0.31 0.00 0.00 39.34 39.95 1dwj n TYR 78 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1dwj h TRP 79 N 1.18 0.25 0.00 -0.72 5.08 -1.51 0.69 115.95 120.93 1dwj h TRP 79 Ca 0.37 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 60.31 1dwj h TRP 79 Cb 2.15 -0.08 -0.01 0.00 -3.00 0.00 0.00 29.16 28.23 1dwj h TRP 79 CO 1.24 0.11 -0.17 0.37 -1.28 0.00 0.00 178.44 178.71 1dwj h GLN 80 N 0.23 0.00 0.01 0.12 5.75 -1.87 -0.02 115.11 119.33 1dwj h GLN 80 Ca 0.26 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.54 1dwj h GLN 80 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1dwj h GLN 80 CO -0.05 0.17 -0.96 0.87 -2.65 0.00 0.00 178.83 176.21 1dwj h LYS 81 N 0.00 0.38 -0.45 1.69 1.79 -1.22 -1.73 116.57 117.02 1dwj h LYS 81 Ca -0.00 -0.42 0.03 0.00 -2.18 0.00 0.00 60.65 58.08 1dwj h LYS 81 Cb 0.43 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1dwj h LYS 81 CO 0.02 1.10 0.24 -0.44 -1.08 0.00 0.00 179.45 179.29 1dwj h ASP 82 N 0.20 0.36 -0.30 0.86 5.19 -0.71 -2.66 116.42 119.36 1dwj h ASP 82 Ca -0.08 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 1dwj h ASP 82 Cb 1.61 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 1dwj h ASP 82 CO 0.16 0.25 0.08 0.40 -3.12 0.00 0.00 179.24 177.01 1dwj h ILE 83 N 0.48 1.18 -0.03 0.35 2.04 -1.06 -2.30 117.51 118.17 1dwj h ILE 83 Ca 0.19 -0.66 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 1dwj h ILE 83 Cb 0.08 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1dwj h ILE 83 CO -0.12 0.24 -0.54 0.44 0.00 0.00 0.00 178.15 178.17 1dwj h ASP 84 N 0.56 0.08 -0.23 1.72 3.32 -1.21 -1.63 116.42 119.03 1dwj h ASP 84 Ca 0.13 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1dwj h ASP 84 Cb 0.24 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1dwj h ASP 84 CO -0.00 0.61 0.01 0.58 -1.72 0.00 0.00 179.24 178.72 1dwj h VAL 85 N 0.06 1.25 -0.18 -1.35 2.07 -1.08 0.01 116.25 117.03 1dwj h VAL 85 Ca -0.00 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1dwj h VAL 85 Cb 0.97 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1dwj h VAL 85 CO 0.07 0.26 0.03 -0.07 0.02 0.00 0.00 177.57 177.89 1dwj h LEU 86 N 0.18 0.00 -0.68 2.57 3.38 -1.31 -0.63 115.31 118.82 1dwj h LEU 86 Ca 0.07 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1dwj h LEU 86 Cb 0.38 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1dwj h LEU 86 CO 0.01 0.03 0.40 -0.78 0.09 0.00 0.00 178.44 178.19 1dwj h ASP 87 N 0.10 0.63 -0.49 -0.43 3.58 -1.26 -0.56 116.42 117.98 1dwj h ASP 87 Ca 0.08 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1dwj h ASP 87 Cb 0.08 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1dwj h ASP 87 CO -0.11 0.42 0.24 -0.33 -2.88 0.00 0.00 179.24 176.57 1dwj h GLU 88 N 0.76 0.75 0.00 0.28 5.08 -0.70 -1.26 114.58 119.49 1dwj h GLU 88 Ca 0.29 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1dwj h GLU 88 Cb 0.12 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1dwj h GLU 88 CO -0.15 0.59 0.00 -0.07 -1.00 0.00 0.00 179.01 178.38 1dwj h LEU 89 N 0.74 0.00 0.56 1.33 3.38 -0.43 -3.47 115.31 117.42 1dwj h LEU 89 Ca 0.18 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.80 1dwj h LEU 89 Cb 0.11 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.92 1dwj h LEU 89 CO -0.02 0.00 -0.54 -3.20 0.09 0.00 0.00 178.44 174.76 1dwj n ASN 90 N -2.55 -5.64 -4.78 -0.43 5.15 -0.30 -4.70 115.26 102.01 1dwj n ASN 90 Ca 0.04 -0.29 -0.36 0.00 -0.60 0.00 0.00 54.58 53.37 1dwj n ASN 90 Cb 0.40 -4.44 -0.03 0.00 -0.53 0.00 0.00 39.78 35.18 1dwj n ASN 90 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dwj s ALA 91 N -3.13 3.01 -1.34 5.20 0.00 -0.73 -4.95 121.76 119.82 1dwj s ALA 91 Ca 0.30 0.72 0.13 0.00 0.00 0.00 0.00 51.96 53.12 1dwj s ALA 91 Cb -0.13 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1dwj s ALA 91 CO 0.38 -0.32 0.80 0.25 0.00 0.00 0.00 175.76 176.86 1dwj n THR 92 N -0.39 0.00 -4.04 0.00 -2.24 -0.53 -4.62 114.28 102.46 1dwj n THR 92 Ca 0.07 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1dwj n THR 92 Cb 0.50 1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 69.78 1dwj n THR 92 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1dwj s GLY 93 N -1.50 0.16 -0.04 3.38 0.00 -1.07 0.21 107.32 108.46 1dwj s GLY 93 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 1dwj s GLY 93 CO 0.29 -0.05 0.04 -0.47 0.00 0.00 0.00 173.10 172.91 1dwj s TYR 94 N 0.03 0.15 -0.25 1.90 5.04 -0.91 -2.91 117.35 120.40 1dwj s TYR 94 Ca 0.00 0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 54.70 1dwj s TYR 94 Cb -0.02 -0.47 -0.04 0.00 0.35 0.00 0.00 41.96 41.77 1dwj s TYR 94 CO -0.00 -0.19 0.13 0.50 -1.34 0.00 0.00 175.55 174.66 1dwj s ARG 95 N 1.88 3.91 0.17 4.97 3.52 -0.79 -0.41 118.95 132.20 1dwj s ARG 95 Ca 0.02 -0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 55.26 1dwj s ARG 95 Cb -0.12 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1dwj s ARG 95 CO -0.03 -0.06 0.07 -0.59 -0.81 0.00 0.00 175.30 173.88 1dwj s PHE 96 N 1.36 1.05 0.10 5.12 -0.71 -0.43 -1.48 117.98 122.98 1dwj s PHE 96 Ca 0.06 -1.24 0.10 0.00 -1.04 0.00 0.00 56.93 54.81 1dwj s PHE 96 Cb -0.15 -0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 41.06 1dwj s PHE 96 CO 0.06 -0.49 -0.24 -1.54 -1.34 0.00 0.00 175.22 171.67 1dwj s SER 97 N -3.12 3.49 -0.15 1.98 1.04 -1.26 -1.03 113.70 114.66 1dwj s SER 97 Ca 0.29 -0.63 -0.21 0.00 0.48 0.00 0.00 55.95 55.88 1dwj s SER 97 Cb 0.07 -0.36 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 1dwj s SER 97 CO 0.06 0.20 0.60 -0.63 0.98 0.00 0.00 173.24 174.45 1dwj s ILE 98 N -1.02 5.07 -0.35 -1.02 1.01 -0.88 -4.29 121.20 119.71 1dwj s ILE 98 Ca 0.15 1.18 -0.28 0.00 0.00 0.00 0.00 60.65 61.70 1dwj s ILE 98 Cb -0.10 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1dwj s ILE 98 CO 0.06 0.20 1.04 0.00 0.00 0.00 0.00 174.94 176.24 1dwj s ALA 99 N 1.33 3.42 0.38 9.38 0.00 -1.26 -4.65 121.76 130.36 1dwj s ALA 99 Ca 0.30 -0.22 0.12 0.00 0.00 0.00 0.00 51.96 52.16 1dwj s ALA 99 Cb -0.16 -3.67 0.92 0.00 0.00 0.00 0.00 23.12 20.21 1dwj s ALA 99 CO 0.12 -1.63 1.86 2.35 0.00 0.00 0.00 175.76 178.46 1dwj h TRP 100 N 8.36 0.72 -0.06 0.00 2.91 -1.83 -1.66 115.95 124.40 1dwj h TRP 100 Ca -0.22 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.77 1dwj h TRP 100 Cb 1.07 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 29.48 1dwj h TRP 100 CO 0.85 0.23 -0.23 0.66 -1.03 0.00 0.00 178.44 178.92 1dwj h SER 101 N 0.58 0.09 0.45 2.65 4.64 -1.79 0.23 113.55 120.41 1dwj h SER 101 Ca 0.46 -0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 61.50 1dwj h SER 101 Cb 0.91 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1dwj h SER 101 CO -0.21 0.33 -1.13 -0.09 -0.87 0.00 0.00 176.83 174.86 1dwj h ARG 102 N 0.09 0.37 0.00 4.77 2.43 -1.59 0.47 114.38 120.92 1dwj h ARG 102 Ca 0.01 -0.51 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 1dwj h ARG 102 Cb 0.46 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1dwj h ARG 102 CO 0.03 1.20 -2.08 0.44 -1.51 0.00 0.00 179.97 178.04 1dwj n ILE 103 N -3.65 0.38 -3.48 1.20 -5.35 -1.05 -4.40 119.36 103.00 1dwj n ILE 103 Ca -0.09 -0.59 -0.27 0.00 -0.27 0.00 0.00 62.75 61.54 1dwj n ILE 103 Cb 0.95 -0.12 -0.10 0.00 -1.74 0.00 0.00 39.64 38.62 1dwj n ILE 103 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1dwj n ILE 104 N -2.38 -0.49 0.04 7.28 5.41 0.79 -0.87 119.36 129.13 1dwj n ILE 104 Ca -0.12 -3.82 0.06 0.00 1.00 0.00 0.00 62.75 59.87 1dwj n ILE 104 Cb 0.72 -1.80 0.47 0.00 -0.71 0.00 0.00 39.64 38.33 1dwj n ILE 104 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1dwj h PRO 105 N 5.40 0.42 -0.72 0.38 0.11 -1.73 -0.80 132.00 135.06 1dwj h PRO 105 Ca 0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1dwj h PRO 105 Cb 0.87 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1dwj h PRO 105 CO 0.46 0.28 0.00 0.54 -0.21 0.00 0.00 178.00 179.07 1dwj n ARG 106 N -4.49 3.12 0.00 1.05 1.74 -1.26 -4.70 116.66 112.12 1dwj n ARG 106 Ca 0.03 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 1dwj n ARG 106 Cb 0.10 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1dwj n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dwj n GLY 107 N 0.45 1.24 3.70 -0.13 0.00 -0.31 -4.86 105.19 105.28 1dwj n GLY 107 Ca 0.16 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1dwj n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dwj s LYS 108 N 0.00 4.45 0.28 1.61 2.20 -1.26 -4.93 119.74 122.10 1dwj s LYS 108 Ca 0.00 1.28 0.01 0.00 -0.36 0.00 0.00 55.97 56.89 1dwj s LYS 108 Cb 0.00 -3.50 0.53 0.00 -1.51 0.00 0.00 37.83 33.34 1dwj s LYS 108 CO 0.00 -0.17 1.85 -0.09 -0.36 0.00 0.00 175.35 176.58 1dwj h ARG 109 N 6.98 1.00 0.00 4.03 2.43 -1.89 -1.19 114.38 125.75 1dwj h ARG 109 Ca -0.36 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1dwj h ARG 109 Cb 1.18 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1dwj h ARG 109 CO 0.80 0.66 0.00 -1.13 -1.51 0.00 0.00 179.97 178.80 1dwj n SER 110 N -4.59 0.32 -0.23 -3.80 3.41 -1.26 0.15 113.62 107.62 1dwj n SER 110 Ca 0.18 0.64 0.09 0.00 -0.26 0.00 0.00 58.87 59.53 1dwj n SER 110 Cb 0.32 -0.69 0.45 0.00 -0.26 0.00 0.00 64.21 64.03 1dwj n SER 110 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dwj n ARG 111 N -1.93 1.30 0.00 4.33 1.74 -0.45 -4.99 116.66 116.66 1dwj n ARG 111 Ca -0.00 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 1dwj n ARG 111 Cb 0.04 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1dwj n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dwj n GLY 112 N 0.91 2.22 3.69 -0.13 0.00 0.12 -4.90 105.19 107.10 1dwj n GLY 112 Ca 0.14 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1dwj n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1dwj s VAL 113 N -1.76 3.99 -0.55 1.61 -7.23 -1.26 -4.64 120.40 110.55 1dwj s VAL 113 Ca 0.00 -1.11 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 1dwj s VAL 113 Cb 0.00 -2.94 0.08 0.00 0.56 0.00 0.00 36.38 34.08 1dwj s VAL 113 CO 0.00 0.04 0.68 0.21 -0.31 0.00 0.00 175.10 175.71 1dwj s ASN 114 N -2.55 6.20 0.22 4.85 2.47 -0.05 -4.91 114.94 121.17 1dwj s ASN 114 Ca 0.27 -1.18 -0.07 0.00 0.42 0.00 0.00 52.86 52.29 1dwj s ASN 114 Cb -0.11 -2.30 0.28 0.00 -1.45 0.00 0.00 41.25 37.67 1dwj s ASN 114 CO 0.19 -1.02 1.83 -0.08 -3.72 0.00 0.00 177.10 174.30 1dwj h GLU 115 N 9.11 0.81 -0.24 0.43 4.57 -1.91 -0.36 114.58 126.99 1dwj h GLU 115 Ca -0.29 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.81 1dwj h GLU 115 Cb 1.09 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.48 1dwj h GLU 115 CO 1.04 0.54 0.00 0.87 -1.18 0.00 0.00 179.01 180.28 1dwj h LYS 116 N 0.84 0.35 -0.19 1.92 1.79 -1.94 -0.80 116.57 118.55 1dwj h LYS 116 Ca 0.33 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.70 1dwj h LYS 116 Cb 0.17 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1dwj h LYS 116 CO -0.17 0.38 -0.06 0.78 -1.08 0.00 0.00 179.45 179.30 1dwj h GLY 117 N 0.65 0.40 0.86 3.86 0.00 -1.30 -1.37 103.07 106.17 1dwj h GLY 117 Ca 0.08 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1dwj h GLY 117 CO 0.01 0.31 0.62 -2.22 0.00 0.00 0.00 176.54 175.26 1dwj h ILE 118 N 0.08 1.15 -0.60 2.60 1.08 -1.04 -2.30 117.51 118.48 1dwj h ILE 118 Ca 0.05 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1dwj h ILE 118 Cb 0.52 -0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 1dwj h ILE 118 CO 0.02 0.22 0.31 0.44 -0.69 0.00 0.00 178.15 178.45 1dwj h ASP 119 N 1.20 0.77 -0.34 1.72 3.32 -0.99 -2.00 116.42 120.10 1dwj h ASP 119 Ca 0.38 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.39 1dwj h ASP 119 Cb 0.02 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.29 1dwj h ASP 119 CO -0.13 0.67 -0.29 0.22 -1.72 0.00 0.00 179.24 177.99 1dwj h TYR 120 N 0.82 -0.79 -0.15 4.55 3.20 -0.67 -1.88 116.97 122.05 1dwj h TYR 120 Ca 0.21 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 1dwj h TYR 120 Cb 0.09 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1dwj h TYR 120 CO -0.00 -0.36 -0.37 1.88 -1.64 0.00 0.00 178.16 177.67 1dwj h TYR 121 N -0.25 0.38 -0.36 -3.82 0.05 -1.35 -1.99 116.97 109.63 1dwj h TYR 121 Ca 0.16 -0.10 0.05 0.00 0.05 0.00 0.00 58.73 58.90 1dwj h TYR 121 Cb 0.51 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.12 1dwj h TYR 121 CO -0.48 0.65 0.07 0.45 -1.05 0.00 0.00 178.16 177.81 1dwj h HIS 122 N 0.28 0.12 -0.22 4.88 3.86 -1.12 0.65 115.15 123.59 1dwj h HIS 122 Ca 0.03 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1dwj h HIS 122 Cb 0.78 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.24 1dwj h HIS 122 CO 0.02 0.02 0.13 0.78 0.86 0.00 0.00 177.93 179.74 1dwj h GLY 123 N 0.19 0.33 0.84 2.45 0.00 -1.18 0.28 103.07 105.97 1dwj h GLY 123 Ca 0.17 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.37 1dwj h GLY 123 CO -0.22 0.14 0.07 -2.00 0.00 0.00 0.00 176.54 174.53 1dwj h LEU 124 N 0.27 0.09 -0.64 3.11 5.85 -1.05 -0.96 115.31 121.97 1dwj h LEU 124 Ca 0.08 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 1dwj h LEU 124 Cb 0.04 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1dwj h LEU 124 CO -0.01 0.08 -0.11 0.40 -0.34 0.00 0.00 178.44 178.46 1dwj h ILE 125 N 0.18 1.27 -0.47 4.05 2.04 -0.67 -1.71 117.51 122.19 1dwj h ILE 125 Ca 0.09 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 1dwj h ILE 125 Cb 0.06 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1dwj h ILE 125 CO -0.09 0.43 0.14 0.28 0.00 0.00 0.00 178.15 178.92 1dwj h SER 126 N 0.85 0.64 -0.00 1.72 0.02 -0.19 -2.15 113.55 114.43 1dwj h SER 126 Ca 0.13 -0.09 -0.25 0.00 -0.84 0.00 0.00 61.79 60.74 1dwj h SER 126 Cb 0.65 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 63.04 1dwj h SER 126 CO 0.05 0.61 -0.96 1.23 -1.14 0.00 0.00 176.83 176.62 1dwj h GLY 127 N 0.87 0.78 0.94 -3.77 0.00 -0.71 -1.77 103.07 99.40 1dwj h GLY 127 Ca 0.16 -1.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.20 1dwj h GLY 127 CO -0.01 1.13 0.16 1.41 0.00 0.00 0.00 176.54 179.23 1dwj h LEU 128 N 0.42 0.44 -0.93 3.11 3.38 -1.27 -2.90 115.31 117.57 1dwj h LEU 128 Ca -0.10 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1dwj h LEU 128 Cb 1.60 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1dwj h LEU 128 CO 0.19 0.45 -0.52 0.40 0.09 0.00 0.00 178.44 179.05 1dwj h ILE 129 N 0.41 1.31 0.00 1.22 2.04 -1.32 -0.54 117.51 120.63 1dwj h ILE 129 Ca 0.12 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.15 1dwj h ILE 129 Cb 0.13 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1dwj h ILE 129 CO -0.01 0.51 -0.10 0.11 0.00 0.00 0.00 178.15 178.66 1dwj h LYS 130 N 0.00 0.00 -0.68 2.37 1.57 -1.25 -0.16 116.57 118.42 1dwj h LYS 130 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1dwj h LYS 130 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1dwj h LYS 130 CO 0.07 0.10 0.00 1.63 -0.57 0.00 0.00 179.45 180.67 1dwj n LYS 131 N -3.45 2.71 -2.10 3.15 4.76 -0.71 -4.95 118.16 117.57 1dwj n LYS 131 Ca -0.01 -2.61 -0.06 0.00 -2.87 0.00 0.00 58.31 52.76 1dwj n LYS 131 Cb 0.25 -1.55 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1dwj n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dwj n GLY 132 N 1.60 0.12 3.39 0.72 0.00 -0.07 -4.95 105.19 106.00 1dwj n GLY 132 Ca 0.24 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1dwj n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dwj s ILE 133 N -2.31 3.44 -0.27 -0.61 1.01 -0.29 -4.69 121.20 117.48 1dwj s ILE 133 Ca 0.00 -0.50 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 1dwj s ILE 133 Cb 0.00 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.97 1dwj s ILE 133 CO 0.00 0.47 1.01 -0.89 0.00 0.00 0.00 174.94 175.53 1dwj s THR 134 N 0.79 4.65 0.04 2.92 2.01 0.13 -3.78 115.64 122.41 1dwj s THR 134 Ca -0.02 1.82 -0.30 0.00 0.31 0.00 0.00 61.69 63.49 1dwj s THR 134 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1dwj s THR 134 CO 0.02 -0.27 1.06 -2.84 -0.69 0.00 0.00 174.62 171.90 1dwj s PRO 135 N 3.28 4.53 -0.30 4.92 0.02 -1.26 -2.13 135.00 144.06 1dwj s PRO 135 Ca 0.42 1.56 -0.05 0.00 0.02 0.00 0.00 61.00 62.95 1dwj s PRO 135 Cb -0.14 -3.40 0.02 0.00 0.02 0.00 0.00 34.50 31.00 1dwj s PRO 135 CO 0.10 -0.09 0.05 -0.06 -0.33 0.00 0.00 177.00 176.66 1dwj s PHE 136 N 0.88 3.16 -0.21 6.54 0.40 0.46 -4.07 117.98 125.14 1dwj s PHE 136 Ca 0.54 -1.27 -0.06 0.00 -0.60 0.00 0.00 56.93 55.54 1dwj s PHE 136 Cb -0.25 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.05 1dwj s PHE 136 CO 0.29 -0.66 0.02 0.08 0.70 0.00 0.00 175.22 175.65 1dwj s VAL 137 N 1.42 4.16 -0.15 -0.44 1.01 -0.35 -1.31 120.40 124.74 1dwj s VAL 137 Ca 0.00 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1dwj s VAL 137 Cb -0.18 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1dwj s VAL 137 CO 0.01 0.42 0.56 -0.89 0.00 0.00 0.00 175.10 175.19 1dwj s THR 138 N 1.01 5.11 0.23 3.92 2.01 -0.20 -0.17 115.64 127.55 1dwj s THR 138 Ca 0.02 1.08 0.11 0.00 0.31 0.00 0.00 61.69 63.21 1dwj s THR 138 Cb -0.14 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1dwj s THR 138 CO 0.02 0.23 1.59 -0.07 -0.69 0.00 0.00 174.62 175.69 1dwj h LEU 139 N 7.40 0.00 -6.51 4.42 3.38 -0.54 -2.34 115.31 121.12 1dwj h LEU 139 Ca -0.37 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.39 1dwj h LEU 139 Cb 1.17 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.60 1dwj h LEU 139 CO 0.76 0.63 -0.54 0.12 0.09 0.00 0.00 178.44 179.49 1dwj s PHE 140 N -3.49 -0.69 -0.76 1.13 5.36 -0.42 -4.66 117.98 114.44 1dwj s PHE 140 Ca -0.01 0.49 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 1dwj s PHE 140 Cb 0.12 -0.15 0.33 0.00 -0.34 0.00 0.00 43.02 42.98 1dwj s PHE 140 CO 0.76 -0.76 1.30 1.58 -1.46 0.00 0.00 175.22 176.63 1dwj n HIS 141 N 5.35 3.54 0.00 10.12 -0.00 -1.26 -1.98 115.22 130.98 1dwj n HIS 141 Ca -0.03 -3.42 0.00 0.00 -0.00 0.00 0.00 57.72 54.26 1dwj n HIS 141 Cb 0.49 -0.78 0.00 0.00 -0.00 0.00 0.00 29.99 29.71 1dwj n HIS 141 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 1dwj n TRP 142 N -0.15 0.00 -2.76 1.57 8.01 -1.26 -4.85 117.44 118.00 1dwj n TRP 142 Ca 0.37 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 56.13 1dwj n TRP 142 Cb 0.34 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 1dwj n TRP 142 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 1dwj n ASP 143 N 0.00 5.26 -4.73 -0.99 5.75 -1.26 -4.66 116.55 115.91 1dwj n ASP 143 Ca 0.00 -3.05 -0.41 0.00 -0.01 0.00 0.00 54.79 51.32 1dwj n ASP 143 Cb 0.00 -1.51 -0.04 0.00 -1.03 0.00 0.00 41.12 38.54 1dwj n ASP 143 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1dwj s LEU 144 N 0.57 4.48 0.04 -2.12 2.96 -1.26 -4.32 118.68 119.03 1dwj s LEU 144 Ca 0.40 1.92 -0.37 0.00 -0.22 0.00 0.00 54.13 55.86 1dwj s LEU 144 Cb 0.02 -3.59 -0.16 0.00 0.50 0.00 0.00 46.19 42.95 1dwj s LEU 144 CO 0.00 -0.16 1.43 -2.65 -1.32 0.00 0.00 176.35 173.65 1dwj n PRO 145 N 2.77 1.25 -0.17 0.98 -0.02 -1.26 -0.68 135.00 137.87 1dwj n PRO 145 Ca 0.03 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1dwj n PRO 145 Cb 0.48 -2.12 0.44 0.00 -0.02 0.00 0.00 33.50 32.28 1dwj n PRO 145 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1dwj h GLN 146 N 5.13 0.54 -0.93 -0.52 5.75 -1.24 0.23 115.11 124.06 1dwj h GLN 146 Ca -0.47 -0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.08 1dwj h GLN 146 Cb 1.33 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 29.69 1dwj h GLN 146 CO 0.81 0.36 0.60 0.00 -2.65 0.00 0.00 178.83 177.95 1dwj h THR 147 N 0.56 1.00 0.00 2.39 1.03 -1.89 -0.85 112.91 115.15 1dwj h THR 147 Ca 0.34 -0.34 -0.13 0.00 -0.01 0.00 0.00 66.41 66.28 1dwj h THR 147 Cb 0.58 -0.07 -0.02 0.00 -1.07 0.00 0.00 68.15 67.57 1dwj h THR 147 CO -0.12 0.18 -0.60 -0.07 -0.01 0.00 0.00 175.52 174.90 1dwj h LEU 148 N 0.98 0.00 -0.44 0.00 3.38 -1.30 0.25 115.31 118.18 1dwj h LEU 148 Ca 0.43 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.22 1dwj h LEU 148 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1dwj h LEU 148 CO -0.19 0.60 -0.59 -0.61 0.09 0.00 0.00 178.44 177.74 1dwj h GLN 149 N 0.00 0.60 0.08 1.13 5.75 -1.17 -2.21 115.11 119.29 1dwj h GLN 149 Ca -0.01 -0.40 -0.26 0.00 -0.15 0.00 0.00 58.65 57.83 1dwj h GLN 149 Cb 1.12 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1dwj h GLN 149 CO 0.08 1.02 -1.24 -0.44 -2.65 0.00 0.00 178.83 175.60 1dwj h ASP 150 N 0.45 0.26 -0.14 -0.69 3.32 -0.87 0.47 116.42 119.22 1dwj h ASP 150 Ca -0.00 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 1dwj h ASP 150 Cb 1.16 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1dwj h ASP 150 CO 0.11 1.24 0.00 -0.33 -1.72 0.00 0.00 179.24 178.55 1dwj h GLU 151 N 0.05 0.25 0.00 3.56 5.08 -0.54 -3.40 114.58 119.58 1dwj h GLU 151 Ca -0.12 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 1dwj h GLU 151 Cb 1.92 -0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.94 1dwj h GLU 151 CO 0.17 0.48 -0.63 2.48 -1.00 0.00 0.00 179.01 180.50 1dwj n TYR 152 N -4.77 0.00 -3.36 4.33 0.18 -0.87 -5.00 117.16 107.68 1dwj n TYR 152 Ca -0.05 -0.34 -0.22 0.00 1.88 0.00 0.00 57.90 59.16 1dwj n TYR 152 Cb 0.21 0.07 0.06 0.00 -0.38 0.00 0.00 39.34 39.31 1dwj n TYR 152 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1dwj n GLU 153 N 0.22 -6.58 0.00 -3.48 -0.58 0.16 -4.05 120.64 106.34 1dwj n GLU 153 Ca -0.04 0.79 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 1dwj n GLU 153 Cb 0.88 -5.61 0.00 0.00 -0.57 0.00 0.00 31.44 26.14 1dwj n GLU 153 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dwj n GLY 154 N -1.78 3.85 0.00 0.62 0.00 -0.97 -1.96 105.19 104.95 1dwj n GLY 154 Ca -0.02 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1dwj n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dwj n PHE 155 N 14.00 0.00 0.28 1.61 3.72 -1.26 -2.47 117.46 133.34 1dwj n PHE 155 Ca 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 1dwj n PHE 155 Cb 0.00 -0.16 0.49 0.00 -0.94 0.00 0.00 39.48 38.86 1dwj n PHE 155 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1dwj h LEU 156 N 0.00 0.00 -8.94 4.37 5.85 -1.67 -3.40 115.31 111.53 1dwj h LEU 156 Ca 0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 1dwj h LEU 156 Cb 0.13 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 40.93 1dwj h LEU 156 CO 0.00 0.00 -0.79 -0.62 -0.34 0.00 0.00 178.44 176.69 1dwj s ASP 157 N -5.77 3.88 0.00 1.25 -1.08 -1.03 -4.89 116.67 109.03 1dwj s ASP 157 Ca 0.04 -0.34 0.10 0.00 -0.52 0.00 0.00 52.55 51.83 1dwj s ASP 157 Cb 0.08 -0.70 0.42 0.00 -1.46 0.00 0.00 42.92 41.26 1dwj s ASP 157 CO 0.58 0.29 1.30 -0.81 0.52 0.00 0.00 175.17 177.05 1dwj n PRO 158 N 1.83 0.02 0.15 4.34 -0.04 -1.26 -2.42 135.00 137.62 1dwj n PRO 158 Ca -0.16 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1dwj n PRO 158 Cb 0.52 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.02 1dwj n PRO 158 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1dwj h GLN 159 N 0.00 0.00 -0.32 0.54 4.20 -1.95 -2.18 115.11 115.40 1dwj h GLN 159 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1dwj h GLN 159 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1dwj h GLN 159 CO 0.00 0.00 0.03 0.97 -0.67 0.00 0.00 178.83 179.16 1dwj h ILE 160 N 0.00 1.18 -0.32 2.54 6.09 -1.69 -3.13 117.51 122.17 1dwj h ILE 160 Ca 0.00 -0.67 0.05 0.00 -1.37 0.00 0.00 64.86 62.87 1dwj h ILE 160 Cb 0.31 0.91 -0.05 0.00 0.47 0.00 0.00 36.82 38.46 1dwj h ILE 160 CO 0.00 0.23 0.03 0.40 -3.07 0.00 0.00 178.15 175.74 1dwj h ILE 161 N 0.46 0.81 -0.16 2.19 2.04 -1.63 0.17 117.51 121.39 1dwj h ILE 161 Ca 0.10 -0.05 -0.20 0.00 1.00 0.00 0.00 64.86 65.72 1dwj h ILE 161 Cb 0.26 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1dwj h ILE 161 CO 0.00 0.02 -0.69 0.44 0.00 0.00 0.00 178.15 177.93 1dwj h ASP 162 N 0.13 0.78 -0.44 1.72 3.32 -1.76 -0.20 116.42 119.98 1dwj h ASP 162 Ca 0.15 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 1dwj h ASP 162 Cb 0.19 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1dwj h ASP 162 CO -0.23 1.25 0.15 0.44 -1.72 0.00 0.00 179.24 179.13 1dwj h ASP 163 N 0.48 0.63 -0.64 6.45 3.32 -1.43 -0.41 116.42 124.81 1dwj h ASP 163 Ca -0.03 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1dwj h ASP 163 Cb 1.29 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1dwj h ASP 163 CO 0.14 0.66 0.26 0.15 -1.72 0.00 0.00 179.24 178.72 1dwj h PHE 164 N 0.57 1.00 -0.40 4.55 3.57 -0.45 -1.29 116.94 124.50 1dwj h PHE 164 Ca 0.14 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1dwj h PHE 164 Cb 0.25 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1dwj h PHE 164 CO 0.01 0.77 -0.24 -0.22 -2.23 0.00 0.00 178.31 176.40 1dwj h LYS 165 N 0.97 0.81 -0.09 1.11 3.64 -0.70 0.03 116.57 122.33 1dwj h LYS 165 Ca 0.22 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 1dwj h LYS 165 Cb 0.20 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1dwj h LYS 165 CO -0.02 0.96 -0.40 -0.44 -2.27 0.00 0.00 179.45 177.28 1dwj h ASP 166 N 0.70 0.20 0.22 4.20 3.32 -0.67 -0.90 116.42 123.49 1dwj h ASP 166 Ca 0.09 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1dwj h ASP 166 Cb 0.76 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1dwj h ASP 166 CO 0.06 0.59 -0.11 0.22 -1.72 0.00 0.00 179.24 178.29 1dwj h TYR 167 N 0.16 -0.27 -0.85 4.55 3.20 -0.36 -2.48 116.97 120.91 1dwj h TYR 167 Ca 0.02 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1dwj h TYR 167 Cb 0.79 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 1dwj h TYR 167 CO 0.01 0.02 0.52 0.00 -1.64 0.00 0.00 178.16 177.06 1dwj h ALA 168 N 0.14 1.30 -0.66 1.82 0.00 -0.85 -0.94 119.26 120.07 1dwj h ALA 168 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1dwj h ALA 168 Cb 0.42 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1dwj h ALA 168 CO 0.05 0.60 0.43 0.22 0.00 0.00 0.00 179.25 180.55 1dwj h ASP 169 N 1.18 0.73 -0.80 0.00 1.82 -1.17 -1.36 116.42 116.82 1dwj h ASP 169 Ca 0.31 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.93 1dwj h ASP 169 Cb -0.05 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.75 1dwj h ASP 169 CO -0.06 0.52 0.47 0.25 -1.61 0.00 0.00 179.24 178.81 1dwj h LEU 170 N 0.86 0.97 -0.28 2.28 5.85 -0.70 -2.04 115.31 122.25 1dwj h LEU 170 Ca 0.25 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 1dwj h LEU 170 Cb -0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1dwj h LEU 170 CO -0.07 0.76 -0.18 0.00 -0.34 0.00 0.00 178.44 178.61 1dwj h PHE 172 N 0.35 0.97 -0.50 0.00 0.04 -1.08 0.28 116.94 117.00 1dwj h PHE 172 Ca 0.06 -0.17 -0.13 0.00 2.80 0.00 0.00 57.97 60.53 1dwj h PHE 172 Cb 0.71 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1dwj h PHE 172 CO 0.07 0.90 -0.20 1.49 -0.60 0.00 0.00 178.31 179.97 1dwj h GLU 173 N 0.81 1.02 0.17 1.51 4.81 -1.39 0.53 114.58 122.04 1dwj h GLU 173 Ca 0.14 -0.42 -0.33 0.00 -0.13 0.00 0.00 59.36 58.62 1dwj h GLU 173 Cb 0.55 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1dwj h GLU 173 CO 0.03 1.11 -1.63 0.93 -0.73 0.00 0.00 179.01 178.72 1dwj h GLU 174 N 0.88 0.36 -0.00 1.92 4.39 -0.89 -3.41 114.58 117.83 1dwj h GLU 174 Ca 0.12 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1dwj h GLU 174 Cb 0.78 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1dwj h GLU 174 CO 0.06 1.26 -0.17 1.19 -1.16 0.00 0.00 179.01 180.19 1dwj n PHE 175 N -3.55 0.00 0.30 4.33 3.72 0.98 -4.71 117.46 118.52 1dwj n PHE 175 Ca -0.20 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.36 1dwj n PHE 175 Cb 1.07 0.00 0.97 0.00 -0.94 0.00 0.00 39.48 40.57 1dwj n PHE 175 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1dwj h GLY 176 N 0.97 0.00 2.00 1.37 0.00 -0.82 0.97 103.07 107.57 1dwj h GLY 176 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1dwj h GLY 176 CO 0.00 0.00 -0.14 -0.55 0.00 0.00 0.00 176.54 175.85 1dwj h ASP 177 N 0.00 0.00 0.00 0.19 3.32 -1.84 -3.29 116.42 114.80 1dwj h ASP 177 Ca 0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1dwj h ASP 177 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1dwj h ASP 177 CO -0.00 0.14 -1.54 -1.20 -1.72 0.00 0.00 179.24 174.93 1dwj n SER 178 N -3.51 3.20 -4.67 6.45 7.64 -0.61 -4.94 113.62 117.18 1dwj n SER 178 Ca -0.01 -0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 1dwj n SER 178 Cb 0.30 0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 1dwj n SER 178 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1dwj s VAL 179 N -2.19 4.89 -0.71 0.44 1.01 0.24 -4.89 120.40 119.19 1dwj s VAL 179 Ca -0.09 1.61 0.06 0.00 0.00 0.00 0.00 61.98 63.57 1dwj s VAL 179 Cb 0.03 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1dwj s VAL 179 CO 0.26 0.04 0.63 0.29 0.00 0.00 0.00 175.10 176.32 1dwj n LYS 180 N 5.18 0.67 -3.80 2.72 4.76 -1.26 -4.60 118.16 121.83 1dwj n LYS 180 Ca 0.04 -0.74 -0.26 0.00 -2.87 0.00 0.00 58.31 54.48 1dwj n LYS 180 Cb 0.49 -1.07 -0.17 0.00 -1.84 0.00 0.00 35.03 32.44 1dwj n LYS 180 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1dwj s TYR 181 N -0.68 1.08 -0.14 2.13 2.02 -1.26 -1.37 117.35 119.14 1dwj s TYR 181 Ca 0.07 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 1dwj s TYR 181 Cb 0.05 -1.02 -0.00 0.00 -0.40 0.00 0.00 41.96 40.58 1dwj s TYR 181 CO 0.10 -0.49 -0.18 -1.58 -1.57 0.00 0.00 175.55 171.83 1dwj s TRP 182 N 1.84 2.72 -0.26 2.71 0.52 -0.95 -1.21 118.94 124.31 1dwj s TRP 182 Ca 0.02 -1.02 -0.09 0.00 0.02 0.00 0.00 56.10 55.04 1dwj s TRP 182 Cb -0.14 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1dwj s TRP 182 CO -0.07 -0.44 0.12 -0.51 0.02 0.00 0.00 176.95 176.07 1dwj s LEU 183 N 0.63 3.69 0.00 2.99 2.01 0.76 -1.36 118.68 127.41 1dwj s LEU 183 Ca -0.09 -0.18 0.00 0.00 0.01 0.00 0.00 54.13 53.87 1dwj s LEU 183 Cb -0.16 -1.99 0.00 0.00 0.01 0.00 0.00 46.19 44.05 1dwj s LEU 183 CO 0.03 -0.06 0.42 0.35 1.01 0.00 0.00 176.35 178.10 1dwj n THR 184 N 4.97 0.00 -5.11 5.49 -2.24 -0.39 -0.26 114.28 116.74 1dwj n THR 184 Ca -0.15 0.90 -0.32 0.00 -2.27 0.00 0.00 64.05 62.21 1dwj n THR 184 Cb 0.51 -1.86 -0.16 0.00 -2.10 0.00 0.00 70.33 66.73 1dwj n THR 184 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1dwj s ILE 185 N -1.77 2.42 -0.03 2.28 1.01 -1.26 -1.31 121.20 122.53 1dwj s ILE 185 Ca 0.00 -0.93 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 1dwj s ILE 185 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1dwj s ILE 185 CO 0.00 0.57 0.71 0.21 0.00 0.00 0.00 174.94 176.43 1dwj s ASN 186 N -0.14 7.04 -0.11 3.58 2.47 -0.84 -2.26 114.94 124.68 1dwj s ASN 186 Ca -0.03 1.25 -0.10 0.00 0.42 0.00 0.00 52.86 54.40 1dwj s ASN 186 Cb -0.14 -2.42 0.01 0.00 -1.45 0.00 0.00 41.25 37.25 1dwj s ASN 186 CO 0.04 -0.07 0.17 0.00 -3.72 0.00 0.00 177.10 173.52 1dwj n GLN 187 N 3.46 -0.65 -0.35 0.43 6.02 -0.88 -4.81 117.38 120.59 1dwj n GLN 187 Ca -0.02 0.89 0.07 0.00 -0.01 0.00 0.00 57.00 57.93 1dwj n GLN 187 Cb 0.51 -1.18 0.23 0.00 1.02 0.00 0.00 30.24 30.82 1dwj n GLN 187 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1dwj h LEU 188 N 3.09 0.86 -1.12 1.08 3.38 -1.79 -1.98 115.31 118.83 1dwj h LEU 188 Ca -0.14 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1dwj h LEU 188 Cb 1.06 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1dwj h LEU 188 CO 0.06 0.44 -0.10 0.22 0.09 0.00 0.00 178.44 179.15 1dwj h TYR 189 N 0.93 0.53 0.57 1.13 3.20 -1.90 -3.37 116.97 118.06 1dwj h TYR 189 Ca 0.49 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.25 1dwj h TYR 189 Cb 0.51 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1dwj h TYR 189 CO -0.02 0.59 -0.29 0.77 -1.64 0.00 0.00 178.16 177.57 1dwj h SER 190 N 0.47 -0.70 -0.99 -2.11 0.02 -1.70 -3.00 113.55 105.54 1dwj h SER 190 Ca 0.09 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1dwj h SER 190 Cb 0.46 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 63.11 1dwj h SER 190 CO 0.03 -0.48 0.63 0.58 -1.14 0.00 0.00 176.83 176.44 1dwj h VAL 191 N -0.79 1.01 -0.22 2.27 2.07 -1.73 0.22 116.25 119.09 1dwj h VAL 191 Ca -0.08 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 1dwj h VAL 191 Cb 0.61 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1dwj h VAL 191 CO 0.12 0.20 -0.39 -0.65 0.02 0.00 0.00 177.57 176.87 1dwj h PRO 192 N 1.08 0.49 0.13 1.57 0.11 -1.75 0.57 132.00 134.20 1dwj h PRO 192 Ca 0.45 -0.24 -0.31 0.00 0.11 0.00 0.00 66.00 66.01 1dwj h PRO 192 Cb 0.30 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1dwj h PRO 192 CO -0.21 0.80 -1.60 1.79 -0.21 0.00 0.00 178.00 178.57 1dwj h THR 193 N 0.41 0.93 0.00 -1.15 1.35 -1.22 -2.87 112.91 110.36 1dwj h THR 193 Ca 0.04 -2.41 -0.25 0.00 -0.55 0.00 0.00 66.41 63.24 1dwj h THR 193 Cb 0.86 2.67 -0.04 0.00 -1.73 0.00 0.00 68.15 69.91 1dwj h THR 193 CO 0.07 0.76 -1.50 0.03 -0.25 0.00 0.00 175.52 174.64 1dwj h ARG 194 N -0.16 0.00 0.00 4.72 3.08 -1.06 1.00 114.38 121.96 1dwj h ARG 194 Ca -0.34 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.56 1dwj h ARG 194 Cb 1.88 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.90 1dwj h ARG 194 CO 0.08 0.56 -1.44 0.41 -1.07 0.00 0.00 179.97 178.52 1dwj n GLY 195 N 1.48 -1.21 0.00 0.04 0.00 0.16 -1.15 105.19 104.52 1dwj n GLY 195 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1dwj n GLY 195 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dwj n TYR 196 N -2.84 0.00 -0.02 1.61 4.02 -1.01 -1.13 117.16 117.79 1dwj n TYR 196 Ca -0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.73 1dwj n TYR 196 Cb 0.81 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 40.11 1dwj n TYR 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1dwj n GLY 197 N 0.00 -0.18 0.00 2.72 0.00 -0.32 -4.16 105.19 103.25 1dwj n GLY 197 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1dwj n GLY 197 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dwj n SER 198 N -3.64 0.69 -1.81 1.61 3.41 0.20 -4.54 113.62 109.54 1dwj n SER 198 Ca -0.11 -0.83 -0.18 0.00 -0.26 0.00 0.00 58.87 57.49 1dwj n SER 198 Cb 0.37 1.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.29 1dwj n SER 198 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dwj n ALA 199 N -1.35 -0.43 0.38 7.33 0.00 -0.30 -4.84 120.51 121.30 1dwj n ALA 199 Ca 0.03 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.79 1dwj n ALA 199 Cb 0.23 -1.93 0.18 0.00 0.00 0.00 0.00 19.45 17.93 1dwj n ALA 199 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1dwj h LEU 200 N 0.00 0.00 -9.29 0.00 3.38 -1.52 -3.44 115.31 104.45 1dwj h LEU 200 Ca -0.41 -0.06 -0.50 0.00 0.09 0.00 0.00 57.88 57.00 1dwj h LEU 200 Cb 1.27 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 1dwj h LEU 200 CO 0.52 0.03 -0.62 -1.81 0.09 0.00 0.00 178.44 176.66 1dwj s ASP 201 N -5.10 2.70 0.39 -0.43 1.01 -0.62 -4.86 116.67 109.76 1dwj s ASP 201 Ca 0.06 -1.34 -0.27 0.00 0.71 0.00 0.00 52.55 51.71 1dwj s ASP 201 Cb 0.10 -0.15 -0.09 0.00 1.01 0.00 0.00 42.92 43.78 1dwj s ASP 201 CO 0.70 -0.54 1.33 0.00 0.21 0.00 0.00 175.17 176.87 1dwj s ALA 202 N -3.15 3.34 -1.56 5.23 0.00 -1.26 -0.50 121.76 123.85 1dwj s ALA 202 Ca 0.35 1.29 0.29 0.00 0.00 0.00 0.00 51.96 53.89 1dwj s ALA 202 Cb 0.08 -3.51 1.28 0.00 0.00 0.00 0.00 23.12 20.98 1dwj s ALA 202 CO 0.15 -0.84 1.90 -0.35 0.00 0.00 0.00 175.76 176.62 1dwj n PRO 203 N 0.27 0.59 -2.19 0.00 -0.04 -1.25 -4.42 135.00 127.97 1dwj n PRO 203 Ca 0.03 -0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.29 1dwj n PRO 203 Cb 0.43 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1dwj n PRO 203 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dwj n GLY 204 N 1.29 0.33 3.73 0.55 0.00 0.34 -4.94 105.19 106.49 1dwj n GLY 204 Ca 0.14 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1dwj n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dwj s ARG 205 N -4.10 2.83 -0.13 1.61 0.52 -0.29 -4.25 118.95 115.14 1dwj s ARG 205 Ca 0.01 -0.65 -0.34 0.00 -0.52 0.00 0.00 55.73 54.23 1dwj s ARG 205 Cb -0.00 -2.70 0.15 0.00 0.52 0.00 0.00 34.95 32.91 1dwj s ARG 205 CO 0.13 0.60 1.41 0.00 0.02 0.00 0.00 175.30 177.46 1dwj s SER 207 N -2.80 6.21 0.36 0.00 0.01 -1.26 -3.31 113.70 112.91 1dwj s SER 207 Ca 0.14 2.82 0.14 0.00 1.31 0.00 0.00 55.95 60.36 1dwj s SER 207 Cb 0.06 -2.65 0.98 0.00 0.21 0.00 0.00 66.02 64.62 1dwj s SER 207 CO -0.06 -0.94 1.77 -0.65 0.41 0.00 0.00 173.24 173.78 1dwj h PRO 208 N 2.67 0.50 -0.00 12.44 0.11 -1.82 0.68 132.00 146.58 1dwj h PRO 208 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1dwj h PRO 208 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dwj h PRO 208 CO 0.63 0.33 -0.21 0.25 -0.21 0.00 0.00 178.00 178.79 1dwj n THR 209 N -4.69 0.00 0.10 -1.15 -2.24 -1.26 -1.99 114.28 103.05 1dwj n THR 209 Ca 0.24 -0.07 -0.23 0.00 -2.27 0.00 0.00 64.05 61.73 1dwj n THR 209 Cb 0.76 0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.92 1dwj n THR 209 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1dwj h VAL 210 N 0.63 1.24 -1.94 2.28 2.07 -1.16 -3.46 116.25 115.91 1dwj h VAL 210 Ca 0.00 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 64.89 1dwj h VAL 210 Cb 0.44 2.99 -0.25 0.00 -1.52 0.00 0.00 31.29 32.95 1dwj h VAL 210 CO 0.00 0.79 -0.32 -0.62 0.02 0.00 0.00 177.57 177.44 1dwj s ASP 211 N -7.35 -0.59 0.01 0.57 -1.08 -0.95 -5.03 116.67 102.26 1dwj s ASP 211 Ca -0.12 0.94 0.15 0.00 -0.52 0.00 0.00 52.55 52.99 1dwj s ASP 211 Cb 0.04 1.69 0.63 0.00 -1.46 0.00 0.00 42.92 43.82 1dwj s ASP 211 CO 0.89 -0.25 1.47 -2.65 0.52 0.00 0.00 175.17 175.15 1dwj n PRO 212 N 5.41 0.01 0.05 4.34 -0.02 -0.84 -2.71 135.00 141.24 1dwj n PRO 212 Ca -0.07 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1dwj n PRO 212 Cb 0.50 -1.52 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 1dwj n PRO 212 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1dwj h SER 213 N 0.00 0.49 -1.24 2.55 0.02 -1.96 -3.46 113.55 109.94 1dwj h SER 213 Ca 0.00 -0.32 -0.69 0.00 -0.84 0.00 0.00 61.79 59.94 1dwj h SER 213 Cb 0.25 -0.14 0.09 0.00 0.14 0.00 0.00 62.40 62.74 1dwj h SER 213 CO 0.00 1.06 -0.23 0.00 -1.14 0.00 0.00 176.83 176.53 1dwj h TYR 215 N 1.89 0.00 -2.45 0.00 -0.00 -1.89 -3.48 116.97 111.03 1dwj h TYR 215 Ca -0.37 0.00 0.16 0.00 0.00 0.00 0.00 58.73 58.52 1dwj h TYR 215 Cb 1.42 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 38.09 1dwj h TYR 215 CO 0.48 0.65 0.51 0.00 -0.00 0.00 0.00 178.16 179.80 1dwj s ALA 216 N -2.88 -1.57 0.00 0.10 0.00 -1.26 -5.10 121.76 111.04 1dwj s ALA 216 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1dwj s ALA 216 Cb 0.08 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1dwj s ALA 216 CO 0.78 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1dwj n GLY 217 N -0.57 1.89 2.99 0.00 0.00 -1.21 -1.61 105.19 106.69 1dwj n GLY 217 Ca -0.05 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 1dwj n GLY 217 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dwj s ASN 218 N 0.00 -0.25 0.14 1.61 3.84 -1.25 -4.10 114.94 114.92 1dwj s ASN 218 Ca 0.00 -0.48 0.09 0.00 0.21 0.00 0.00 52.86 52.69 1dwj s ASN 218 Cb 0.00 1.37 0.50 0.00 -0.55 0.00 0.00 41.25 42.58 1dwj s ASN 218 CO 0.00 -0.30 1.29 -1.20 -2.79 0.00 0.00 177.10 174.09 1dwj n SER 219 N 5.08 0.24 -0.04 -4.21 7.64 -1.26 -1.42 113.62 119.65 1dwj n SER 219 Ca 0.05 0.61 -0.11 0.00 1.01 0.00 0.00 58.87 60.42 1dwj n SER 219 Cb 0.51 -0.64 -0.14 0.00 -1.01 0.00 0.00 64.21 62.92 1dwj n SER 219 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1dwj n SER 220 N -1.82 0.90 -0.05 6.43 7.64 -1.25 -0.52 113.62 124.95 1dwj n SER 220 Ca -0.01 0.25 -0.06 0.00 1.01 0.00 0.00 58.87 60.06 1dwj n SER 220 Cb 0.02 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 1dwj n SER 220 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1dwj n THR 221 N -3.04 0.56 -0.10 0.44 -2.24 -0.99 -4.57 114.28 104.33 1dwj n THR 221 Ca -0.25 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.24 1dwj n THR 221 Cb 1.07 -0.83 0.18 0.00 -2.10 0.00 0.00 70.33 68.66 1dwj n THR 221 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1dwj h GLU 222 N 0.00 0.77 -0.43 -0.78 5.08 -1.50 -2.37 114.58 115.35 1dwj h GLU 222 Ca -0.22 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1dwj h GLU 222 Cb 1.39 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1dwj h GLU 222 CO -0.02 0.76 0.29 -1.35 -1.00 0.00 0.00 179.01 177.68 1dwj h PRO 223 N 0.73 0.56 -0.11 2.33 0.11 -1.75 0.19 132.00 134.06 1dwj h PRO 223 Ca 0.15 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.05 1dwj h PRO 223 Cb 0.39 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1dwj h PRO 223 CO 0.01 0.37 -0.66 1.88 -0.21 0.00 0.00 178.00 179.39 1dwj h TYR 224 N 0.58 0.59 -0.22 0.65 0.05 -1.75 -0.49 116.97 116.37 1dwj h TYR 224 Ca 0.16 -0.24 -0.16 0.00 0.05 0.00 0.00 58.73 58.54 1dwj h TYR 224 Cb -0.05 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1dwj h TYR 224 CO -0.00 0.98 -0.52 0.82 -1.05 0.00 0.00 178.16 178.39 1dwj h ILE 225 N 0.32 1.31 -0.15 -2.88 2.04 -0.60 -2.55 117.51 115.01 1dwj h ILE 225 Ca -0.02 -1.74 -0.11 0.00 1.00 0.00 0.00 64.86 63.99 1dwj h ILE 225 Cb 1.22 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1dwj h ILE 225 CO 0.12 0.55 -0.35 0.58 0.00 0.00 0.00 178.15 179.05 1dwj h VAL 226 N 0.49 1.36 -0.66 1.67 2.07 -0.63 -2.74 116.25 117.81 1dwj h VAL 226 Ca 0.02 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1dwj h VAL 226 Cb 1.07 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1dwj h VAL 226 CO 0.10 0.49 0.40 0.00 0.02 0.00 0.00 177.57 178.58 1dwj h ALA 227 N 0.54 0.85 -0.36 1.67 0.00 -1.13 -1.24 119.26 119.59 1dwj h ALA 227 Ca -0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1dwj h ALA 227 Cb 0.95 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1dwj h ALA 227 CO 0.08 0.32 0.06 1.25 0.00 0.00 0.00 179.25 180.96 1dwj h HIS 228 N 0.90 0.09 -0.40 0.00 6.17 -1.43 -1.84 115.15 118.64 1dwj h HIS 228 Ca 0.24 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.24 1dwj h HIS 228 Cb -0.02 0.01 -0.02 0.00 2.52 0.00 0.00 27.41 29.90 1dwj h HIS 228 CO -0.01 0.00 -0.16 0.45 0.71 0.00 0.00 177.93 178.92 1dwj h HIS 229 N 0.18 0.84 -0.78 5.26 3.86 -1.26 -1.90 115.15 121.36 1dwj h HIS 229 Ca 0.17 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1dwj h HIS 229 Cb 0.21 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1dwj h HIS 229 CO -0.20 0.86 0.50 1.96 0.86 0.00 0.00 177.93 181.91 1dwj h GLN 230 N 0.67 0.97 -0.30 2.45 4.20 -0.98 0.24 115.11 122.36 1dwj h GLN 230 Ca 0.11 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1dwj h GLN 230 Cb 0.65 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1dwj h GLN 230 CO 0.05 0.64 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.74 1dwj h LEU 231 N 1.00 0.57 -0.53 1.46 3.38 -1.09 -0.58 115.31 119.52 1dwj h LEU 231 Ca 0.30 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1dwj h LEU 231 Cb -0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1dwj h LEU 231 CO -0.09 0.78 0.07 -0.07 0.09 0.00 0.00 178.44 179.22 1dwj h LEU 232 N 0.35 0.86 0.28 1.67 3.38 -1.19 0.75 115.31 121.40 1dwj h LEU 232 Ca 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1dwj h LEU 232 Cb 0.51 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1dwj h LEU 232 CO 0.02 0.91 -0.18 0.00 0.09 0.00 0.00 178.44 179.29 1dwj h ALA 233 N 0.98 -0.43 -0.53 1.53 0.00 -0.53 -0.63 119.26 119.64 1dwj h ALA 233 Ca 0.16 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1dwj h ALA 233 Cb 0.43 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1dwj h ALA 233 CO 0.01 -0.75 0.28 1.25 0.00 0.00 0.00 179.25 180.04 1dwj h HIS 234 N -0.45 0.52 0.00 0.00 -0.00 -0.94 -2.26 115.15 112.02 1dwj h HIS 234 Ca -0.03 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 1dwj h HIS 234 Cb 0.37 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1dwj h HIS 234 CO -0.09 0.26 -0.29 0.00 -0.00 0.00 0.00 177.93 177.81 1dwj h ALA 235 N 1.28 1.50 0.00 5.26 0.00 -0.43 -1.20 119.26 125.66 1dwj h ALA 235 Ca 0.23 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1dwj h ALA 235 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1dwj h ALA 235 CO -0.15 0.36 -0.86 -0.22 0.00 0.00 0.00 179.25 178.38 1dwj h LYS 236 N 0.00 0.00 0.01 0.00 1.63 -0.80 -1.25 116.57 116.16 1dwj h LYS 236 Ca -0.00 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.55 1dwj h LYS 236 Cb 0.52 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1dwj h LYS 236 CO 0.04 0.86 -0.99 0.28 -3.45 0.00 0.00 179.45 176.19 1dwj h VAL 237 N 0.00 1.30 -0.70 2.00 2.07 -0.78 -1.26 116.25 118.88 1dwj h VAL 237 Ca -0.01 -2.23 -0.06 0.00 0.82 0.00 0.00 66.70 65.22 1dwj h VAL 237 Cb 1.61 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 33.78 1dwj h VAL 237 CO 0.11 0.68 0.19 0.58 0.02 0.00 0.00 177.57 179.16 1dwj h VAL 238 N 0.31 1.26 -0.45 2.57 2.07 -1.14 0.19 116.25 121.07 1dwj h VAL 238 Ca -0.13 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.37 1dwj h VAL 238 Cb 1.65 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1dwj h VAL 238 CO 0.19 0.36 -0.12 -0.78 0.02 0.00 0.00 177.57 177.24 1dwj h ASP 239 N 1.05 0.81 -0.44 0.57 1.82 -1.19 0.13 116.42 119.17 1dwj h ASP 239 Ca 0.22 -0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.59 1dwj h ASP 239 Cb 0.33 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1dwj h ASP 239 CO -0.00 0.95 0.20 0.25 -1.61 0.00 0.00 179.24 179.03 1dwj h LEU 240 N 0.73 0.58 0.13 2.28 5.85 -0.88 -2.07 115.31 121.95 1dwj h LEU 240 Ca 0.12 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1dwj h LEU 240 Cb 0.62 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1dwj h LEU 240 CO 0.04 0.56 -0.06 0.22 -0.34 0.00 0.00 178.44 178.86 1dwj h TYR 241 N 0.56 -0.17 0.00 1.25 3.20 -0.02 0.64 116.97 122.44 1dwj h TYR 241 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1dwj h TYR 241 Cb 0.14 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1dwj h TYR 241 CO -0.01 -0.02 0.00 0.00 -1.64 0.00 0.00 178.16 176.50 1dwj h ARG 242 N -0.28 0.00 0.01 1.82 3.08 -0.80 -1.47 114.38 116.74 1dwj h ARG 242 Ca -0.02 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.67 1dwj h ARG 242 Cb 0.22 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1dwj h ARG 242 CO 0.03 0.00 -2.27 1.63 -1.07 0.00 0.00 179.97 178.29 1dwj n LYS 243 N -2.90 0.68 -0.00 0.04 5.02 -0.78 -4.12 118.16 116.10 1dwj n LYS 243 Ca 0.02 0.09 0.05 0.00 -2.02 0.00 0.00 58.31 56.45 1dwj n LYS 243 Cb 0.36 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 1dwj n LYS 243 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dwj n ASN 244 N -2.95 1.15 -1.19 4.39 3.02 0.21 -4.67 115.26 115.23 1dwj n ASN 244 Ca -0.33 -0.51 0.05 0.00 -0.03 0.00 0.00 54.58 53.76 1dwj n ASN 244 Cb 1.10 1.16 0.08 0.00 -0.61 0.00 0.00 39.78 41.50 1dwj n ASN 244 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1dwj n TYR 245 N -1.44 0.00 0.24 3.10 4.01 -0.56 -4.76 117.16 117.75 1dwj n TYR 245 Ca 0.01 -0.80 0.11 0.00 -0.16 0.00 0.00 57.90 57.06 1dwj n TYR 245 Cb 0.20 -0.18 0.61 0.00 -0.31 0.00 0.00 39.34 39.66 1dwj n TYR 245 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1dwj h THR 246 N 5.09 0.56 0.00 -0.72 1.03 -1.69 -0.77 112.91 116.41 1dwj h THR 246 Ca -0.15 -0.80 -0.00 0.00 -0.01 0.00 0.00 66.41 65.44 1dwj h THR 246 Cb 1.61 1.53 -0.00 0.00 -1.07 0.00 0.00 68.15 70.22 1dwj h THR 246 CO 0.07 0.17 -0.01 1.12 -0.01 0.00 0.00 175.52 176.85 1dwj h HIS 247 N 0.00 0.00 0.00 0.00 2.07 -1.91 -1.69 115.15 113.61 1dwj h HIS 247 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1dwj h HIS 247 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1dwj h HIS 247 CO 0.00 0.01 0.00 1.04 -3.07 0.00 0.00 177.93 175.91 1dwj n GLN 248 N -3.38 0.14 -3.70 5.12 6.02 -0.29 -4.92 117.38 116.37 1dwj n GLN 248 Ca -0.03 0.25 -0.24 0.00 -0.01 0.00 0.00 57.00 56.98 1dwj n GLN 248 Cb 0.10 -1.72 0.05 0.00 1.02 0.00 0.00 30.24 29.70 1dwj n GLN 248 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dwj n GLY 249 N 0.67 -0.41 3.87 1.08 0.00 -0.64 -4.97 105.19 104.79 1dwj n GLY 249 Ca 0.04 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1dwj n GLY 249 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dwj s GLY 250 N -3.85 2.36 0.17 -0.02 0.00 -1.26 -4.95 107.32 99.78 1dwj s GLY 250 Ca 0.31 -1.42 0.11 0.00 0.00 0.00 0.00 44.72 43.72 1dwj s GLY 250 CO 0.79 -1.91 -0.23 0.54 0.00 0.00 0.00 173.10 172.28 1dwj s LYS 251 N -4.19 1.43 -0.06 2.90 1.02 -0.47 -5.02 119.74 115.34 1dwj s LYS 251 Ca 0.36 -1.45 -0.06 0.00 0.02 0.00 0.00 55.97 54.84 1dwj s LYS 251 Cb -0.01 -1.73 0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1dwj s LYS 251 CO 0.21 0.38 0.17 -1.50 -0.92 0.00 0.00 175.35 173.69 1dwj s ILE 252 N -1.61 -0.00 0.23 2.17 2.07 -1.26 -2.24 121.20 120.56 1dwj s ILE 252 Ca 0.18 0.01 -0.18 0.00 -1.41 0.00 0.00 60.65 59.25 1dwj s ILE 252 Cb -0.08 -0.24 0.02 0.00 0.13 0.00 0.00 42.46 42.29 1dwj s ILE 252 CO 0.08 0.00 0.58 -0.83 -1.91 0.00 0.00 174.94 172.86 1dwj s GLY 253 N 0.14 0.02 0.51 1.50 0.00 -0.46 -1.00 107.32 108.03 1dwj s GLY 253 Ca -0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 1dwj s GLY 253 CO -0.00 -0.27 0.91 2.56 0.00 0.00 0.00 173.10 176.30 1dwj s PRO 254 N -3.91 3.73 -0.22 2.90 0.04 -1.26 -1.26 135.00 135.01 1dwj s PRO 254 Ca 0.12 0.63 -0.05 0.00 0.04 0.00 0.00 61.00 61.74 1dwj s PRO 254 Cb -0.02 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1dwj s PRO 254 CO 0.02 -0.29 -0.00 0.99 0.04 0.00 0.00 177.00 177.76 1dwj s THR 255 N -2.75 3.78 -0.18 1.26 2.01 -0.96 -0.81 115.64 117.99 1dwj s THR 255 Ca 0.54 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 62.11 1dwj s THR 255 Cb -0.10 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 1dwj s THR 255 CO 0.41 0.40 0.04 -0.04 -0.69 0.00 0.00 174.62 174.74 1dwj s MET 256 N 1.36 3.87 -0.36 4.92 -1.94 -0.11 -2.08 119.30 124.96 1dwj s MET 256 Ca 0.04 -0.40 -0.29 0.00 -1.71 0.00 0.00 55.69 53.34 1dwj s MET 256 Cb -0.15 -3.15 0.01 0.00 2.01 0.00 0.00 34.83 33.56 1dwj s MET 256 CO 0.00 0.22 1.22 -1.50 -0.01 0.00 0.00 175.02 174.95 1dwj s ILE 257 N 0.49 4.23 -0.03 2.53 1.10 -1.26 -1.47 121.20 126.78 1dwj s ILE 257 Ca 0.01 1.35 0.01 0.00 -0.51 0.00 0.00 60.65 61.52 1dwj s ILE 257 Cb -0.13 -4.34 -0.03 0.00 0.15 0.00 0.00 42.46 38.11 1dwj s ILE 257 CO 0.01 -0.63 -0.03 0.42 -2.11 0.00 0.00 174.94 172.60 1dwj s THR 258 N 4.32 3.95 0.14 4.00 -4.23 0.52 -4.88 115.64 119.47 1dwj s THR 258 Ca 0.52 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 60.52 1dwj s THR 258 Cb -0.13 -2.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 1dwj s THR 258 CO 0.24 0.47 -0.10 -0.13 -0.54 0.00 0.00 174.62 174.56 1dwj s ARG 259 N -1.24 1.05 0.11 3.99 0.52 -1.26 -4.20 118.95 117.92 1dwj s ARG 259 Ca 0.16 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 53.97 1dwj s ARG 259 Cb -0.11 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 1dwj s ARG 259 CO 0.06 0.08 0.15 -0.46 0.02 0.00 0.00 175.30 175.15 1dwj s TRP 260 N -3.21 3.28 -0.05 -0.53 -0.00 -1.24 -4.96 118.94 112.23 1dwj s TRP 260 Ca 0.16 0.09 0.05 0.00 -0.00 0.00 0.00 56.10 56.40 1dwj s TRP 260 Cb 0.02 -1.63 -0.01 0.00 -0.00 0.00 0.00 33.47 31.86 1dwj s TRP 260 CO 0.01 0.53 -0.20 -0.06 -0.00 0.00 0.00 176.95 177.23 1dwj s PHE 261 N -1.55 1.99 0.16 5.86 0.08 -1.26 -1.70 117.98 121.56 1dwj s PHE 261 Ca 0.31 -0.57 0.10 0.00 0.12 0.00 0.00 56.93 56.90 1dwj s PHE 261 Cb -0.12 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1dwj s PHE 261 CO 0.24 -0.17 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.45 1dwj s LEU 262 N -0.08 2.39 0.16 -0.37 1.43 0.19 -4.95 118.68 117.46 1dwj s LEU 262 Ca -0.03 -0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 51.95 1dwj s LEU 262 Cb -0.12 -1.07 -0.08 0.00 0.03 0.00 0.00 46.19 44.95 1dwj s LEU 262 CO 0.02 0.09 1.30 -2.16 0.23 0.00 0.00 176.35 175.83 1dwj s PRO 263 N -2.48 4.39 0.23 1.29 0.05 -1.26 -0.70 135.00 136.53 1dwj s PRO 263 Ca 0.16 2.00 -0.06 0.00 0.05 0.00 0.00 61.00 63.16 1dwj s PRO 263 Cb -0.08 -3.23 0.33 0.00 0.05 0.00 0.00 34.50 31.57 1dwj s PRO 263 CO 0.08 -0.27 1.83 -0.92 0.05 0.00 0.00 177.00 177.76 1dwj h TYR 264 N 5.84 0.87 -3.53 0.56 3.20 -1.43 -3.35 116.97 119.12 1dwj h TYR 264 Ca -0.44 0.03 -0.60 0.00 3.14 0.00 0.00 58.73 60.86 1dwj h TYR 264 Cb 1.21 -0.27 -0.38 0.00 1.54 0.00 0.00 36.73 38.83 1dwj h TYR 264 CO 0.63 0.41 -0.79 1.21 -1.64 0.00 0.00 178.16 177.98 1dwj s ASN 265 N -5.68 3.58 -0.06 -2.11 3.84 -1.26 -0.43 114.94 112.82 1dwj s ASN 265 Ca -0.13 -1.02 0.05 0.00 0.21 0.00 0.00 52.86 51.97 1dwj s ASN 265 Cb 0.18 -1.16 0.25 0.00 -0.55 0.00 0.00 41.25 39.97 1dwj s ASN 265 CO 0.78 -0.20 0.95 -0.90 -2.79 0.00 0.00 177.10 174.94 1dwj n ASP 266 N 4.70 2.25 0.00 -4.21 5.75 -1.26 -2.50 116.55 121.29 1dwj n ASP 266 Ca -0.13 -2.24 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 1dwj n ASP 266 Cb 0.45 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1dwj n ASP 266 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dwj n THR 267 N 0.20 0.28 -3.42 2.12 -2.24 -1.26 -4.99 114.28 104.96 1dwj n THR 267 Ca 0.09 -0.38 -0.39 0.00 -2.27 0.00 0.00 64.05 61.09 1dwj n THR 267 Cb 0.48 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.70 1dwj n THR 267 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dwj s ASP 268 N -0.28 6.21 0.58 3.42 2.15 -1.04 -4.97 116.67 122.75 1dwj s ASP 268 Ca 0.00 0.17 0.28 0.00 0.43 0.00 0.00 52.55 53.43 1dwj s ASP 268 Cb 0.00 -2.20 1.70 0.00 -0.30 0.00 0.00 42.92 42.12 1dwj s ASP 268 CO 0.00 -0.19 2.17 0.08 -0.17 0.00 0.00 175.17 177.06 1dwj h ARG 269 N 8.25 0.00 -0.13 4.34 0.11 -1.94 -2.05 114.38 122.96 1dwj h ARG 269 Ca -0.32 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.61 1dwj h ARG 269 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 1dwj h ARG 269 CO 0.64 0.00 -0.58 0.45 0.10 0.00 0.00 179.97 180.58 1dwj h HIS 270 N 0.00 0.51 -0.18 4.08 3.86 -1.93 0.18 115.15 121.67 1dwj h HIS 270 Ca 0.04 -0.19 -0.15 0.00 -1.16 0.00 0.00 60.37 58.92 1dwj h HIS 270 Cb 0.23 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1dwj h HIS 270 CO 0.00 0.89 -0.51 0.77 0.86 0.00 0.00 177.93 179.94 1dwj h SER 271 N 0.31 0.56 -0.24 2.45 0.02 -1.69 -1.66 113.55 113.29 1dwj h SER 271 Ca -0.00 -0.28 -0.18 0.00 -0.84 0.00 0.00 61.79 60.49 1dwj h SER 271 Cb 1.10 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1dwj h SER 271 CO 0.10 0.97 -0.54 0.40 -1.14 0.00 0.00 176.83 176.62 1dwj h ILE 272 N 0.40 1.29 -0.46 3.27 2.04 -0.73 -2.53 117.51 120.79 1dwj h ILE 272 Ca 0.02 -1.74 -0.10 0.00 1.00 0.00 0.00 64.86 64.04 1dwj h ILE 272 Cb 1.03 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1dwj h ILE 272 CO 0.09 0.56 -0.10 0.00 0.00 0.00 0.00 178.15 178.70 1dwj h ALA 273 N 0.63 0.96 -0.29 1.87 0.00 -0.55 -2.12 119.26 119.76 1dwj h ALA 273 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1dwj h ALA 273 Cb 1.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1dwj h ALA 273 CO 0.12 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.94 1dwj h ALA 274 N 1.14 1.40 -0.21 0.00 0.00 -1.23 0.49 119.26 120.84 1dwj h ALA 274 Ca 0.13 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 1dwj h ALA 274 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1dwj h ALA 274 CO 0.04 0.42 -0.63 1.15 0.00 0.00 0.00 179.25 180.22 1dwj h THR 275 N 0.43 1.29 -0.15 0.00 2.02 -1.24 -0.65 112.91 114.62 1dwj h THR 275 Ca 0.09 -1.85 -0.17 0.00 0.77 0.00 0.00 66.41 65.24 1dwj h THR 275 Cb 0.35 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1dwj h THR 275 CO 0.01 0.59 -0.63 -0.33 0.37 0.00 0.00 175.52 175.53 1dwj h GLU 276 N 0.55 0.53 -0.46 6.66 4.39 -1.19 -2.18 114.58 122.87 1dwj h GLU 276 Ca -0.01 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.27 1dwj h GLU 276 Cb 1.23 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 1dwj h GLU 276 CO 0.13 0.99 0.08 0.00 -1.16 0.00 0.00 179.01 179.05 1dwj h ARG 277 N 0.39 0.71 -0.30 2.33 3.08 -0.82 -2.26 114.38 117.50 1dwj h ARG 277 Ca -0.01 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1dwj h ARG 277 Cb 1.19 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1dwj h ARG 277 CO 0.12 0.67 0.06 0.52 -1.07 0.00 0.00 179.97 180.27 1dwj h MET 278 N 0.69 0.49 -0.63 0.04 2.86 -0.94 0.29 114.93 117.73 1dwj h MET 278 Ca 0.15 -0.12 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1dwj h MET 278 Cb 0.30 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.83 1dwj h MET 278 CO 0.00 0.58 0.26 0.87 1.06 0.00 0.00 176.91 179.68 1dwj h LYS 279 N 0.33 0.45 -0.32 1.72 1.57 -1.13 0.43 116.57 119.62 1dwj h LYS 279 Ca 0.09 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1dwj h LYS 279 Cb 0.31 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1dwj h LYS 279 CO 0.00 0.29 -0.48 0.93 -0.57 0.00 0.00 179.45 179.63 1dwj h GLU 280 N 0.46 0.87 0.00 3.15 4.39 -0.80 -0.42 114.58 122.23 1dwj h GLU 280 Ca 0.31 -0.51 -0.15 0.00 0.34 0.00 0.00 59.36 59.35 1dwj h GLU 280 Cb 0.36 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1dwj h GLU 280 CO -0.29 1.15 -0.73 0.74 -1.16 0.00 0.00 179.01 178.72 1dwj h PHE 281 N 0.68 0.00 0.00 4.33 -1.00 -0.83 -1.07 116.94 119.05 1dwj h PHE 281 Ca 0.03 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.74 1dwj h PHE 281 Cb 1.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 1dwj h PHE 281 CO 0.07 0.73 -0.48 0.35 -1.61 0.00 0.00 178.31 177.36 1dwj h PHE 282 N 0.00 0.00 0.00 -0.55 3.57 -0.89 -3.38 116.94 115.70 1dwj h PHE 282 Ca -0.01 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 1dwj h PHE 282 Cb 1.50 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.21 1dwj h PHE 282 CO 0.00 0.72 -1.20 1.28 -2.23 0.00 0.00 178.31 176.88 1dwj n LEU 283 N -4.59 1.86 0.27 0.59 4.77 -0.18 -4.50 117.00 115.21 1dwj n LEU 283 Ca -0.14 0.45 0.10 0.00 -0.03 0.00 0.00 56.01 56.39 1dwj n LEU 283 Cb 0.39 -0.95 0.71 0.00 -2.33 0.00 0.00 43.42 41.25 1dwj n LEU 283 CO 0.17 0.18 1.06 1.23 -1.33 0.00 0.00 177.39 178.71 1dwj h GLY 284 N -1.00 0.00 0.13 -0.72 0.00 -1.29 -0.11 103.07 100.08 1dwj h GLY 284 Ca -0.31 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.24 1dwj h GLY 284 CO -0.19 0.00 0.62 -0.25 0.00 0.00 0.00 176.54 176.73 1dwj h TRP 285 N 0.00 0.70 0.00 5.60 7.01 -1.39 -0.43 115.95 127.45 1dwj h TRP 285 Ca -0.00 0.02 -0.28 0.00 2.11 0.00 0.00 58.89 60.74 1dwj h TRP 285 Cb 0.05 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 26.85 1dwj h TRP 285 CO 0.00 0.15 -2.02 1.19 -2.79 0.00 0.00 178.44 174.96 1dwj n PHE 286 N -4.60 0.00 0.21 2.65 3.72 -0.87 -4.47 117.46 114.10 1dwj n PHE 286 Ca 0.22 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.66 1dwj n PHE 286 Cb 0.72 -0.68 0.45 0.00 -0.94 0.00 0.00 39.48 39.03 1dwj n PHE 286 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1dwj h MET 287 N -0.17 0.01 0.34 -1.08 2.86 -1.03 -1.93 114.93 113.93 1dwj h MET 287 Ca -0.42 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 1dwj h MET 287 Cb 1.57 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1dwj h MET 287 CO -0.12 0.25 -0.17 0.78 1.06 0.00 0.00 176.91 178.71 1dwj h GLY 288 N 0.72 -0.48 0.61 8.32 0.00 -1.28 -1.82 103.07 109.13 1dwj h GLY 288 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.59 1dwj h GLY 288 CO 0.03 -0.18 0.55 -2.55 0.00 0.00 0.00 176.54 174.39 1dwj h PRO 289 N -0.73 0.91 -0.01 4.80 0.11 -1.21 0.39 132.00 136.27 1dwj h PRO 289 Ca -0.05 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.91 1dwj h PRO 289 Cb 0.50 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1dwj h PRO 289 CO 0.08 0.60 -0.44 -0.07 -0.21 0.00 0.00 178.00 177.96 1dwj h LEU 290 N 0.94 0.02 0.00 2.35 3.38 -1.39 0.33 115.31 120.94 1dwj h LEU 290 Ca 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1dwj h LEU 290 Cb 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1dwj h LEU 290 CO -0.22 0.45 -1.16 0.35 0.09 0.00 0.00 178.44 177.96 1dwj n THR 291 N -4.02 0.00 -0.03 0.22 -2.24 -0.69 0.48 114.28 108.01 1dwj n THR 291 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1dwj n THR 291 Cb 0.47 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1dwj n THR 291 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1dwj n ASN 292 N -1.66 0.00 -0.06 3.42 5.15 0.13 -4.65 115.26 117.60 1dwj n ASN 292 Ca 0.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 54.58 53.90 1dwj n ASN 292 Cb 0.33 0.11 -0.00 0.00 -0.53 0.00 0.00 39.78 39.68 1dwj n ASN 292 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dwj n GLY 293 N 0.11 0.48 3.35 8.20 0.00 0.12 -4.92 105.19 112.52 1dwj n GLY 293 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 1dwj n GLY 293 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dwj s THR 294 N -1.93 0.07 0.58 2.61 -4.23 -1.24 -4.68 115.64 106.82 1dwj s THR 294 Ca 0.00 -1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 1dwj s THR 294 Cb 0.00 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 1dwj s THR 294 CO 0.00 -0.32 1.02 -0.31 -0.54 0.00 0.00 174.62 174.47 1dwj s TYR 295 N -3.93 3.35 0.55 3.99 2.02 -1.26 -1.78 117.35 120.29 1dwj s TYR 295 Ca 0.13 1.43 -0.20 0.00 -0.37 0.00 0.00 57.07 58.06 1dwj s TYR 295 Cb 0.03 -2.83 -0.06 0.00 -0.40 0.00 0.00 41.96 38.69 1dwj s TYR 295 CO -0.03 -0.71 1.08 -2.30 -1.57 0.00 0.00 175.55 172.03 1dwj n PRO 296 N -2.12 1.20 -0.13 -1.71 -0.02 -1.26 -4.80 135.00 126.16 1dwj n PRO 296 Ca 0.07 0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1dwj n PRO 296 Cb 0.54 -2.26 0.15 0.00 -0.02 0.00 0.00 33.50 31.91 1dwj n PRO 296 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1dwj h GLN 297 N 0.95 0.84 -0.62 -0.52 5.75 -1.99 -0.87 115.11 118.65 1dwj h GLN 297 Ca -0.48 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 57.80 1dwj h GLN 297 Cb 1.34 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.76 1dwj h GLN 297 CO 0.54 0.81 0.35 0.97 -2.65 0.00 0.00 178.83 178.85 1dwj h ILE 298 N 0.79 1.18 -0.19 2.39 6.09 -1.99 0.04 117.51 125.83 1dwj h ILE 298 Ca 0.16 -0.43 -0.06 0.00 -1.37 0.00 0.00 64.86 63.17 1dwj h ILE 298 Cb 0.41 0.33 -0.00 0.00 0.47 0.00 0.00 36.82 38.03 1dwj h ILE 298 CO 0.01 0.20 -0.10 0.24 -3.07 0.00 0.00 178.15 175.43 1dwj h MET 299 N 0.85 0.40 -0.93 2.19 2.86 -1.77 -0.20 114.93 118.34 1dwj h MET 299 Ca 0.22 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1dwj h MET 299 Cb -0.00 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 1dwj h MET 299 CO -0.04 0.70 0.57 0.82 1.06 0.00 0.00 176.91 180.03 1dwj h ILE 300 N 0.09 1.25 0.45 -1.22 2.04 -0.75 0.12 117.51 119.49 1dwj h ILE 300 Ca 0.04 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1dwj h ILE 300 Cb 0.59 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1dwj h ILE 300 CO 0.03 0.26 -0.22 0.44 0.00 0.00 0.00 178.15 178.66 1dwj h ASP 301 N 1.27 -0.51 -0.43 1.72 3.32 -0.98 -2.31 116.42 118.50 1dwj h ASP 301 Ca 0.33 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 1dwj h ASP 301 Cb -0.08 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1dwj h ASP 301 CO -0.07 -0.12 0.10 0.74 -1.72 0.00 0.00 179.24 178.18 1dwj h THR 302 N -0.99 1.23 0.00 0.35 2.02 -0.81 -3.29 112.91 111.42 1dwj h THR 302 Ca -0.06 -0.81 -0.09 0.00 0.77 0.00 0.00 66.41 66.22 1dwj h THR 302 Cb 0.57 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1dwj h THR 302 CO 0.10 0.28 -1.07 0.58 0.37 0.00 0.00 175.52 175.79 1dwj h VAL 303 N 0.57 0.34 0.00 3.16 2.07 -0.89 -3.49 116.25 118.01 1dwj h VAL 303 Ca 0.14 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1dwj h VAL 303 Cb 0.32 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1dwj h VAL 303 CO 0.00 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1dwj n GLY 304 N 1.28 3.27 0.29 2.17 0.00 -0.87 -2.07 105.19 109.26 1dwj n GLY 304 Ca -0.04 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1dwj n GLY 304 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dwj h GLU 305 N 0.00 0.25 0.00 1.61 5.08 -1.94 -1.68 114.58 117.90 1dwj h GLU 305 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1dwj h GLU 305 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1dwj h GLU 305 CO 0.00 0.17 0.00 0.54 -1.00 0.00 0.00 179.01 178.72 1dwj n ARG 306 N -4.51 0.07 -3.59 2.33 1.74 -0.88 -4.64 116.66 107.19 1dwj n ARG 306 Ca 0.00 0.23 -0.38 0.00 -0.77 0.00 0.00 57.85 56.94 1dwj n ARG 306 Cb 0.10 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1dwj n ARG 306 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1dwj s LEU 307 N -2.83 4.06 0.61 0.55 2.96 -0.63 -4.72 118.68 118.67 1dwj s LEU 307 Ca 0.09 0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.93 1dwj s LEU 307 Cb 0.09 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1dwj s LEU 307 CO 0.23 -0.02 1.08 -2.84 -1.32 0.00 0.00 176.35 173.47 1dwj s PRO 308 N 1.50 3.16 0.02 0.98 0.02 -1.26 -4.94 135.00 134.48 1dwj s PRO 308 Ca 0.09 1.28 -0.03 0.00 0.02 0.00 0.00 61.00 62.36 1dwj s PRO 308 Cb -0.15 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 1dwj s PRO 308 CO 0.08 -0.95 0.22 -1.12 -0.33 0.00 0.00 177.00 174.91 1dwj s SER 309 N -2.66 6.41 0.09 2.53 0.01 -1.26 -5.00 113.70 113.82 1dwj s SER 309 Ca 0.65 0.41 -0.23 0.00 1.31 0.00 0.00 55.95 58.09 1dwj s SER 309 Cb -0.18 -2.02 -0.07 0.00 0.21 0.00 0.00 66.02 63.96 1dwj s SER 309 CO 0.38 0.23 0.69 -0.36 0.41 0.00 0.00 173.24 174.58 1dwj s PHE 310 N -1.38 3.82 0.82 2.43 0.08 -1.26 -5.08 117.98 117.41 1dwj s PHE 310 Ca 0.30 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.67 1dwj s PHE 310 Cb -0.13 -2.67 0.08 0.00 -0.57 0.00 0.00 43.02 39.73 1dwj s PHE 310 CO 0.20 0.47 1.10 -1.54 -0.10 0.00 0.00 175.22 175.35 1dwj s SER 311 N -0.81 4.28 0.33 1.36 1.04 -1.26 -4.73 113.70 113.91 1dwj s SER 311 Ca 0.34 1.31 0.01 0.00 0.48 0.00 0.00 55.95 58.09 1dwj s SER 311 Cb -0.21 -2.03 0.57 0.00 0.10 0.00 0.00 66.02 64.45 1dwj s SER 311 CO 0.22 -2.10 1.98 -0.65 0.98 0.00 0.00 173.24 173.67 1dwj h PRO 312 N -1.18 0.89 -0.12 4.02 0.11 -1.98 0.23 132.00 133.97 1dwj h PRO 312 Ca -0.48 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1dwj h PRO 312 Cb 1.27 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dwj h PRO 312 CO 0.59 0.61 -0.00 1.49 -0.21 0.00 0.00 178.00 180.48 1dwj h GLU 313 N 0.91 0.22 -0.44 1.05 4.81 -2.00 -1.50 114.58 117.63 1dwj h GLU 313 Ca 0.24 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1dwj h GLU 313 Cb -0.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1dwj h GLU 313 CO -0.05 0.46 0.26 0.93 -0.73 0.00 0.00 179.01 179.88 1dwj h GLU 314 N -0.05 0.61 -1.00 1.92 5.08 -1.84 -1.32 114.58 117.98 1dwj h GLU 314 Ca 0.03 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1dwj h GLU 314 Cb 0.36 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 1dwj h GLU 314 CO 0.01 0.46 0.64 1.03 -1.00 0.00 0.00 179.01 180.15 1dwj h SER 315 N 0.58 1.01 -0.39 1.42 0.87 -0.42 -0.38 113.55 116.24 1dwj h SER 315 Ca 0.16 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 1dwj h SER 315 Cb 0.02 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1dwj h SER 315 CO -0.03 0.62 -0.35 -1.13 -0.53 0.00 0.00 176.83 175.41 1dwj h ASN 316 N 1.13 0.98 -0.83 6.23 -1.24 -0.49 -2.36 115.58 118.99 1dwj h ASN 316 Ca 0.44 -0.46 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1dwj h ASN 316 Cb 0.24 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.98 1dwj h ASN 316 CO -0.19 1.23 0.40 0.25 -1.29 0.00 0.00 177.43 177.83 1dwj h LEU 317 N 0.74 1.09 0.03 0.34 5.85 -0.01 -3.22 115.31 120.13 1dwj h LEU 317 Ca 0.07 -0.13 -0.27 0.00 0.84 0.00 0.00 57.88 58.38 1dwj h LEU 317 Cb 0.94 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 41.71 1dwj h LEU 317 CO 0.09 0.91 -1.16 0.58 -0.34 0.00 0.00 178.44 178.53 1dwj h VAL 318 N 1.19 1.35 -2.51 1.05 2.07 -1.29 -3.41 116.25 114.70 1dwj h VAL 318 Ca 0.29 -2.56 -0.53 0.00 0.82 0.00 0.00 66.70 64.72 1dwj h VAL 318 Cb 0.11 2.65 0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1dwj h VAL 318 CO -0.04 0.77 1.13 -0.75 0.02 0.00 0.00 177.57 178.70 1dwj s LYS 319 N -3.01 4.13 -0.92 1.57 2.20 -0.89 -2.26 119.74 120.55 1dwj s LYS 319 Ca -0.07 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 1dwj s LYS 319 Cb 0.07 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1dwj s LYS 319 CO 0.91 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 1dwj n GLY 320 N 4.27 0.52 2.52 5.54 0.00 0.18 -4.91 105.19 113.30 1dwj n GLY 320 Ca 0.18 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 1dwj n GLY 320 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dwj n SER 321 N 0.29 7.81 -3.52 1.61 3.41 -0.96 -4.80 113.62 117.46 1dwj n SER 321 Ca -0.11 -3.16 -0.12 0.00 -0.26 0.00 0.00 58.87 55.22 1dwj n SER 321 Cb 0.46 -1.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.01 1dwj n SER 321 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1dwj s TYR 322 N -1.18 -0.46 -0.11 7.33 1.13 -1.26 -4.77 117.35 118.02 1dwj s TYR 322 Ca 0.52 0.62 0.16 0.00 -1.41 0.00 0.00 57.07 56.96 1dwj s TYR 322 Cb 0.18 0.48 -0.24 0.00 -1.10 0.00 0.00 41.96 41.28 1dwj s TYR 322 CO -0.09 -0.53 0.19 -0.25 -2.51 0.00 0.00 175.55 172.36 1dwj n ASP 323 N 0.39 0.87 -3.17 -0.18 8.00 -0.17 -5.02 116.55 117.27 1dwj n ASP 323 Ca -0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.27 1dwj n ASP 323 Cb 0.60 1.26 -0.00 0.00 -0.02 0.00 0.00 41.12 42.96 1dwj n ASP 323 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1dwj s PHE 324 N -2.73 0.35 -0.02 1.24 -0.12 -1.23 -4.58 117.98 110.89 1dwj s PHE 324 Ca -0.08 -0.87 0.07 0.00 -0.05 0.00 0.00 56.93 56.00 1dwj s PHE 324 Cb 0.07 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 1dwj s PHE 324 CO 0.71 -1.39 -0.24 -0.51 -0.05 0.00 0.00 175.22 173.74 1dwj s LEU 325 N -3.10 2.05 -0.26 -1.99 1.43 -0.52 -4.07 118.68 112.22 1dwj s LEU 325 Ca 0.19 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1dwj s LEU 325 Cb -0.04 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1dwj s LEU 325 CO 0.13 0.29 0.15 -0.83 0.23 0.00 0.00 176.35 176.32 1dwj s GLY 326 N -0.54 1.91 -0.20 -3.19 0.00 0.01 -1.53 107.32 103.78 1dwj s GLY 326 Ca 0.09 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 1dwj s GLY 326 CO -0.01 0.53 0.02 1.08 0.00 0.00 0.00 173.10 174.73 1dwj s LEU 327 N 1.49 3.41 -0.26 0.66 1.43 0.25 -0.94 118.68 124.72 1dwj s LEU 327 Ca 0.07 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 1dwj s LEU 327 Cb -0.15 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1dwj s LEU 327 CO 0.07 0.09 0.16 0.20 0.23 0.00 0.00 176.35 177.11 1dwj s ASN 328 N 0.85 5.91 -0.04 2.29 -0.87 -0.54 -0.76 114.94 121.78 1dwj s ASN 328 Ca 0.02 -0.01 0.03 0.00 -1.57 0.00 0.00 52.86 51.33 1dwj s ASN 328 Cb -0.14 -2.09 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 1dwj s ASN 328 CO 0.02 -0.02 -0.13 -0.47 -2.57 0.00 0.00 177.10 173.93 1dwj s TYR 329 N 1.55 1.36 0.00 2.20 5.04 -0.97 -0.35 117.35 126.18 1dwj s TYR 329 Ca 0.07 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 1dwj s TYR 329 Cb -0.15 -0.94 0.00 0.00 0.35 0.00 0.00 41.96 41.21 1dwj s TYR 329 CO 0.08 -0.15 0.00 0.66 -1.34 0.00 0.00 175.55 174.80 1dwj n TYR 330 N 3.29 0.00 -3.82 4.97 4.01 -1.26 -4.33 117.16 120.02 1dwj n TYR 330 Ca -0.19 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.47 1dwj n TYR 330 Cb 0.53 0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.71 1dwj n TYR 330 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1dwj s PHE 331 N -1.94 0.02 0.13 -0.72 -0.12 -1.26 -4.72 117.98 109.37 1dwj s PHE 331 Ca 0.00 -0.62 0.07 0.00 -0.05 0.00 0.00 56.93 56.33 1dwj s PHE 331 Cb 0.00 0.79 -0.04 0.00 -0.63 0.00 0.00 43.02 43.15 1dwj s PHE 331 CO 0.00 -1.45 -0.16 0.99 -0.05 0.00 0.00 175.22 174.55 1dwj s THR 332 N -2.82 1.51 0.13 -4.49 2.01 -1.26 -3.61 115.64 107.11 1dwj s THR 332 Ca 0.14 -1.72 0.06 0.00 0.31 0.00 0.00 61.69 60.48 1dwj s THR 332 Cb -0.05 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1dwj s THR 332 CO 0.10 -0.32 -0.14 -1.10 -0.69 0.00 0.00 174.62 172.46 1dwj s GLN 333 N -2.53 1.04 -0.03 4.92 -0.21 -0.69 -4.89 119.66 117.27 1dwj s GLN 333 Ca 0.10 -1.25 -0.18 0.00 0.02 0.00 0.00 55.36 54.05 1dwj s GLN 333 Cb -0.06 -0.94 -0.05 0.00 1.00 0.00 0.00 33.01 32.96 1dwj s GLN 333 CO 0.04 0.18 0.49 0.71 -2.12 0.00 0.00 175.29 174.59 1dwj s TYR 334 N -2.13 3.66 -0.02 0.91 2.02 0.41 -0.64 117.35 121.57 1dwj s TYR 334 Ca 0.09 1.04 0.08 0.00 -0.37 0.00 0.00 57.07 57.91 1dwj s TYR 334 Cb -0.05 -2.46 -0.02 0.00 -0.40 0.00 0.00 41.96 39.03 1dwj s TYR 334 CO 0.03 0.43 -0.25 0.00 -1.57 0.00 0.00 175.55 174.19 1dwj s ALA 335 N -0.38 2.19 0.09 3.71 0.00 0.12 -0.42 121.76 127.08 1dwj s ALA 335 Ca 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1dwj s ALA 335 Cb -0.17 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1dwj s ALA 335 CO 0.14 0.53 -0.03 1.14 0.00 0.00 0.00 175.76 177.54 1dwj s GLN 336 N -0.63 0.79 0.69 0.00 -2.07 -0.75 -1.25 119.66 116.45 1dwj s GLN 336 Ca 0.10 -1.33 -0.15 0.00 -1.82 0.00 0.00 55.36 52.17 1dwj s GLN 336 Cb -0.10 -0.02 0.02 0.00 -1.09 0.00 0.00 33.01 31.82 1dwj s GLN 336 CO -0.01 -0.09 1.15 -1.25 -1.32 0.00 0.00 175.29 173.77 1dwj s PRO 337 N -3.90 2.51 -0.07 9.60 0.04 -1.26 -0.07 135.00 141.85 1dwj s PRO 337 Ca 0.13 1.53 -0.26 0.00 0.04 0.00 0.00 61.00 62.44 1dwj s PRO 337 Cb 0.07 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1dwj s PRO 337 CO -0.05 -1.50 0.58 -1.54 0.04 0.00 0.00 177.00 174.53 1dwj s SER 338 N -2.39 -0.54 0.47 6.66 1.04 -0.78 -4.22 113.70 113.94 1dwj s SER 338 Ca 0.70 0.65 -0.19 0.00 0.48 0.00 0.00 55.95 57.59 1dwj s SER 338 Cb -0.24 0.60 -0.09 0.00 0.10 0.00 0.00 66.02 66.39 1dwj s SER 338 CO 0.43 -0.51 0.97 -2.84 0.98 0.00 0.00 173.24 172.27 1dwj s PRO 339 N -0.98 4.08 -0.70 4.02 0.02 -1.26 -4.05 135.00 136.13 1dwj s PRO 339 Ca -0.10 1.03 -0.08 0.00 0.02 0.00 0.00 61.00 61.88 1dwj s PRO 339 Cb -0.02 -2.16 0.18 0.00 0.02 0.00 0.00 34.50 32.52 1dwj s PRO 339 CO 0.07 -0.15 0.57 1.21 -0.33 0.00 0.00 177.00 178.37 1dwj s ASN 340 N -2.64 5.88 -1.36 2.53 2.47 -1.26 -4.79 114.94 115.77 1dwj s ASN 340 Ca 0.60 -2.75 -0.15 0.00 0.42 0.00 0.00 52.86 50.99 1dwj s ASN 340 Cb -0.09 -2.01 0.07 0.00 -1.45 0.00 0.00 41.25 37.77 1dwj s ASN 340 CO 0.22 -0.47 1.94 -0.81 -3.72 0.00 0.00 177.10 174.27 1dwj n PRO 341 N 3.75 3.10 0.30 0.43 -0.04 -1.26 -4.86 135.00 136.43 1dwj n PRO 341 Ca 0.09 -3.06 0.13 0.00 -0.04 0.00 0.00 63.50 60.63 1dwj n PRO 341 Cb 0.42 -3.31 0.69 0.00 -0.04 0.00 0.00 33.50 31.25 1dwj n PRO 341 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1dwj h VAL 342 N 4.63 0.00 -0.01 0.52 -1.51 -1.98 -1.17 116.25 116.73 1dwj h VAL 342 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 1dwj h VAL 342 Cb 0.75 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1dwj h VAL 342 CO 1.65 0.00 -0.76 0.59 -1.23 0.00 0.00 177.57 177.82 1dwj n ASN 343 N -2.70 1.31 -4.77 4.19 3.02 -1.26 -4.93 115.26 110.12 1dwj n ASN 343 Ca -0.02 -1.11 -0.39 0.00 -0.03 0.00 0.00 54.58 53.03 1dwj n ASN 343 Cb 0.40 0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 1dwj n ASN 343 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1dwj s SER 344 N -2.80 6.69 0.30 6.41 0.15 -0.44 -4.91 113.70 119.09 1dwj s SER 344 Ca 0.12 2.34 0.25 0.00 0.70 0.00 0.00 55.95 59.36 1dwj s SER 344 Cb 0.17 -2.62 1.05 0.00 -1.71 0.00 0.00 66.02 62.91 1dwj s SER 344 CO 0.74 -0.56 1.74 0.71 1.20 0.00 0.00 173.24 177.07 1dwj h THR 345 N 2.51 0.00 -0.65 6.45 1.35 -1.92 -1.99 112.91 118.66 1dwj h THR 345 Ca -0.48 -0.24 -0.15 0.00 -0.55 0.00 0.00 66.41 64.99 1dwj h THR 345 Cb 1.23 0.98 -0.09 0.00 -1.73 0.00 0.00 68.15 68.53 1dwj h THR 345 CO 0.63 0.00 0.18 -0.46 -0.25 0.00 0.00 175.52 175.62 1dwj n ASN 346 N -2.33 4.87 -4.77 5.36 0.23 -1.26 -4.67 115.26 112.69 1dwj n ASN 346 Ca 0.02 -3.17 -0.40 0.00 -0.53 0.00 0.00 54.58 50.50 1dwj n ASN 346 Cb 0.22 -0.71 -0.02 0.00 -2.08 0.00 0.00 39.78 37.19 1dwj n ASN 346 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1dwj s HIS 347 N -2.95 3.05 0.14 -2.53 2.46 -0.75 -4.87 115.29 109.84 1dwj s HIS 347 Ca 0.54 1.48 0.06 0.00 0.47 0.00 0.00 55.06 57.61 1dwj s HIS 347 Cb 0.43 -3.56 -0.04 0.00 -0.13 0.00 0.00 32.58 29.28 1dwj s HIS 347 CO 0.13 -1.64 -0.13 0.95 -2.47 0.00 0.00 174.74 171.58 1dwj s THR 348 N -1.24 1.37 0.54 0.89 -4.23 -1.26 -3.86 115.64 107.84 1dwj s THR 348 Ca 0.53 -1.85 0.26 0.00 -1.18 0.00 0.00 61.69 59.44 1dwj s THR 348 Cb -0.36 -1.67 0.40 0.00 1.34 0.00 0.00 72.50 72.21 1dwj s THR 348 CO 0.47 -0.50 1.99 0.00 -0.54 0.00 0.00 174.62 176.04 1dwj h ALA 349 N 3.24 2.46 0.00 3.99 0.00 -1.05 -1.08 119.26 126.82 1dwj h ALA 349 Ca -0.39 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1dwj h ALA 349 Cb 1.20 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1dwj h ALA 349 CO 0.55 -0.67 -0.19 0.52 0.00 0.00 0.00 179.25 179.45 1dwj h MET 350 N 0.00 0.00 0.00 0.00 2.86 -1.96 -2.32 114.93 113.52 1dwj h MET 350 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1dwj h MET 350 Cb 1.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.70 1dwj h MET 350 CO -0.00 0.19 0.00 0.52 1.06 0.00 0.00 176.91 178.68 1dwj h MET 351 N 0.00 0.00 0.00 1.72 2.07 -1.58 -3.02 114.93 114.12 1dwj h MET 351 Ca -0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1dwj h MET 351 Cb 0.57 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.30 1dwj h MET 351 CO 0.03 0.00 -0.06 -0.44 1.07 0.00 0.00 176.91 177.50 1dwj h ASP 352 N 0.00 0.00 0.94 1.22 3.32 -1.51 -0.62 116.42 119.77 1dwj h ASP 352 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dwj h ASP 352 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1dwj h ASP 352 CO 0.00 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 1dwj h ALA 353 N 1.94 1.00 -5.10 3.45 0.00 -1.72 -3.47 119.26 115.35 1dwj h ALA 353 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1dwj h ALA 353 Cb 0.25 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.10 1dwj h ALA 353 CO 0.01 0.00 -0.64 0.41 0.00 0.00 0.00 179.25 179.03 1dwj n GLY 354 N 0.17 -0.53 3.01 0.00 0.00 -0.24 -4.73 105.19 102.88 1dwj n GLY 354 Ca 0.02 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 1dwj n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dwj s ALA 355 N -3.21 0.64 -0.12 4.61 0.00 -1.26 -1.86 121.76 120.56 1dwj s ALA 355 Ca 0.42 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 1dwj s ALA 355 Cb -0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 1dwj s ALA 355 CO 0.52 0.12 -0.06 0.21 0.00 0.00 0.00 175.76 176.56 1dwj s LYS 356 N -0.49 3.31 -0.13 0.00 2.20 0.90 -4.72 119.74 120.81 1dwj s LYS 356 Ca 0.01 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1dwj s LYS 356 Cb -0.04 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 1dwj s LYS 356 CO -0.00 0.39 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.87 1dwj s LEU 357 N -0.06 3.51 0.25 5.43 1.43 -1.26 -1.80 118.68 126.18 1dwj s LEU 357 Ca 0.01 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1dwj s LEU 357 Cb -0.13 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1dwj s LEU 357 CO 0.03 0.25 0.18 0.42 0.23 0.00 0.00 176.35 177.46 1dwj s THR 358 N -0.12 0.03 -0.83 5.49 -4.23 0.45 -4.93 115.64 111.48 1dwj s THR 358 Ca 0.04 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1dwj s THR 358 Cb -0.13 -2.50 0.24 0.00 1.34 0.00 0.00 72.50 71.45 1dwj s THR 358 CO 0.02 0.00 1.17 -1.22 -0.54 0.00 0.00 174.62 174.05 1dwj n TYR 359 N -0.41 0.35 -3.93 3.99 4.01 -1.26 -0.44 117.16 119.46 1dwj n TYR 359 Ca 0.04 -0.44 -0.17 0.00 -0.16 0.00 0.00 57.90 57.17 1dwj n TYR 359 Cb 0.65 -0.03 -0.16 0.00 -0.31 0.00 0.00 39.34 39.49 1dwj n TYR 359 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1dwj s ILE 360 N -0.98 0.18 0.85 -0.72 1.01 -1.26 -0.91 121.20 119.37 1dwj s ILE 360 Ca 0.19 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 1dwj s ILE 360 Cb 0.10 -0.27 0.18 0.00 0.01 0.00 0.00 42.46 42.48 1dwj s ILE 360 CO 0.13 0.14 1.16 0.54 0.00 0.00 0.00 174.94 176.91 1dwj s ASN 361 N 0.98 3.65 0.61 3.58 4.22 -0.52 -4.91 114.94 122.54 1dwj s ASN 361 Ca -0.10 -0.21 0.31 0.00 -2.14 0.00 0.00 52.86 50.73 1dwj s ASN 361 Cb -0.13 0.06 1.82 0.00 1.28 0.00 0.00 41.25 44.27 1dwj s ASN 361 CO -0.02 -2.35 2.17 0.00 -2.04 0.00 0.00 177.10 174.86 1dwj h ALA 362 N -1.07 1.58 -0.56 3.54 0.00 -1.09 0.12 119.26 121.78 1dwj h ALA 362 Ca -0.39 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1dwj h ALA 362 Cb 1.24 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1dwj h ALA 362 CO 0.36 -0.18 0.13 0.43 0.00 0.00 0.00 179.25 179.99 1dwj n SER 363 N -3.64 4.47 -0.07 0.00 7.64 -1.26 -4.95 113.62 115.80 1dwj n SER 363 Ca -0.01 -3.20 -0.01 0.00 1.01 0.00 0.00 58.87 56.66 1dwj n SER 363 Cb 0.23 -0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1dwj n SER 363 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dwj n GLY 364 N -0.25 0.49 3.67 0.23 0.00 0.43 -5.00 105.19 104.75 1dwj n GLY 364 Ca 0.34 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1dwj n GLY 364 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dwj s HIS 365 N -1.95 3.42 0.29 1.61 5.65 -1.25 -4.76 115.29 118.30 1dwj s HIS 365 Ca 0.00 1.28 -0.29 0.00 0.25 0.00 0.00 55.06 56.30 1dwj s HIS 365 Cb 0.00 -3.03 -0.09 0.00 -1.18 0.00 0.00 32.58 28.28 1dwj s HIS 365 CO 0.00 -0.25 1.05 0.71 -0.65 0.00 0.00 174.74 175.60 1dwj s TYR 366 N 2.17 3.64 0.44 3.88 1.51 -1.26 -1.44 117.35 126.29 1dwj s TYR 366 Ca 0.39 1.75 0.15 0.00 -1.01 0.00 0.00 57.07 58.34 1dwj s TYR 366 Cb -0.17 -3.18 0.98 0.00 -0.11 0.00 0.00 41.96 39.49 1dwj s TYR 366 CO 0.12 -0.29 1.97 0.97 -1.11 0.00 0.00 175.55 177.22 1dwj h ILE 367 N 2.97 1.13 -0.11 2.71 2.10 -1.35 -3.47 117.51 121.48 1dwj h ILE 367 Ca -0.47 -0.71 0.00 0.00 1.08 0.00 0.00 64.86 64.77 1dwj h ILE 367 Cb 1.21 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 1dwj h ILE 367 CO 0.66 0.20 0.00 0.61 -1.08 0.00 0.00 178.15 178.55 1dwj n GLY 368 N -0.93 1.07 3.79 8.18 0.00 -1.15 -4.77 105.19 111.39 1dwj n GLY 368 Ca -0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1dwj n GLY 368 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dwj s PRO 369 N 1.19 2.28 0.42 1.61 0.02 -1.23 -4.56 135.00 134.73 1dwj s PRO 369 Ca 0.00 0.83 -0.26 0.00 0.02 0.00 0.00 61.00 61.59 1dwj s PRO 369 Cb 0.00 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1dwj s PRO 369 CO 0.00 -1.53 1.40 -0.11 -0.33 0.00 0.00 177.00 176.44 1dwj n LEU 370 N -3.40 4.74 -0.03 -5.54 7.94 -1.26 -1.28 117.00 118.17 1dwj n LEU 370 Ca 0.07 1.15 -0.06 0.00 -1.11 0.00 0.00 56.01 56.06 1dwj n LEU 370 Cb 0.55 -1.58 -0.02 0.00 0.53 0.00 0.00 43.42 42.90 1dwj n LEU 370 CO 0.56 -0.21 -0.70 0.33 -1.11 0.00 0.00 177.39 176.26 1dwj n PHE 371 N -0.04 0.00 -3.47 1.96 7.35 0.19 -4.72 117.46 118.71 1dwj n PHE 371 Ca 0.05 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.66 1dwj n PHE 371 Cb 0.40 -0.21 -0.08 0.00 0.35 0.00 0.00 39.48 39.94 1dwj n PHE 371 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1dwj s GLU 372 N -2.11 0.35 -0.08 -4.13 2.12 -0.91 -4.54 118.70 109.40 1dwj s GLU 372 Ca -0.08 0.78 -0.30 0.00 0.36 0.00 0.00 54.97 55.73 1dwj s GLU 372 Cb 0.03 -0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.33 1dwj s GLU 372 CO 0.10 -0.47 1.23 0.21 -0.54 0.00 0.00 175.26 175.79 1dwj s LYS 373 N 2.59 4.31 -0.35 4.30 2.47 -1.26 -1.33 119.74 130.48 1dwj s LYS 373 Ca 0.07 1.68 -0.15 0.00 -1.56 0.00 0.00 55.97 56.01 1dwj s LYS 373 Cb -0.14 -3.62 -0.01 0.00 -1.46 0.00 0.00 37.83 32.60 1dwj s LYS 373 CO -0.15 -0.53 0.36 0.34 0.16 0.00 0.00 175.35 175.54 1dwj s ASP 374 N 1.64 6.18 0.18 1.43 -1.08 -1.26 -4.98 116.67 118.77 1dwj s ASP 374 Ca 0.56 -0.26 0.05 0.00 -0.52 0.00 0.00 52.55 52.38 1dwj s ASP 374 Cb -0.24 -2.20 0.02 0.00 -1.46 0.00 0.00 42.92 39.04 1dwj s ASP 374 CO 0.20 -0.35 1.40 0.11 0.52 0.00 0.00 175.17 177.05 1dwj h LYS 375 N 8.48 0.11 -0.28 4.34 1.79 -1.98 -3.26 116.57 125.77 1dwj h LYS 375 Ca -0.30 -0.13 -0.13 0.00 -2.18 0.00 0.00 60.65 57.91 1dwj h LYS 375 Cb 1.14 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1dwj h LYS 375 CO 0.70 0.90 -0.35 0.00 -1.08 0.00 0.00 179.45 179.62 1dwj h ALA 376 N 1.06 0.42 -3.25 3.86 0.00 -2.03 -3.42 119.26 115.89 1dwj h ALA 376 Ca -0.03 -0.43 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 1dwj h ALA 376 Cb 1.48 -0.08 -0.37 0.00 0.00 0.00 0.00 17.79 18.82 1dwj h ALA 376 CO 0.12 0.48 -0.69 0.34 0.00 0.00 0.00 179.25 179.50 1dwj s ASP 377 N -6.64 0.80 0.14 0.00 -1.08 -1.24 -5.02 116.67 103.63 1dwj s ASP 377 Ca -0.12 0.18 0.25 0.00 -0.52 0.00 0.00 52.55 52.34 1dwj s ASP 377 Cb 0.09 0.04 0.44 0.00 -1.46 0.00 0.00 42.92 42.02 1dwj s ASP 377 CO 0.84 -0.23 1.42 -1.20 0.52 0.00 0.00 175.17 176.52 1dwj n SER 378 N 5.11 0.73 0.00 -0.34 7.64 -1.23 -2.08 113.62 123.46 1dwj n SER 378 Ca -0.08 0.22 0.06 0.00 1.01 0.00 0.00 58.87 60.08 1dwj n SER 378 Cb 0.50 -0.05 0.38 0.00 -1.01 0.00 0.00 64.21 64.03 1dwj n SER 378 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1dwj n THR 379 N -2.15 0.00 0.62 0.44 -2.24 -1.26 -1.91 114.28 107.78 1dwj n THR 379 Ca 0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.89 1dwj n THR 379 Cb 0.44 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1dwj n THR 379 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dwj n ASP 380 N -0.72 1.55 -4.47 3.42 9.92 -0.88 -5.01 116.55 120.35 1dwj n ASP 380 Ca 0.10 -1.28 -0.41 0.00 -0.53 0.00 0.00 54.79 52.67 1dwj n ASP 380 Cb 0.04 0.42 0.01 0.00 -0.64 0.00 0.00 41.12 40.96 1dwj n ASP 380 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1dwj n ASN 381 N -0.07 -0.67 -4.70 -2.24 4.13 -0.80 -4.68 115.26 106.23 1dwj n ASN 381 Ca 0.06 0.91 -0.35 0.00 1.68 0.00 0.00 54.58 56.88 1dwj n ASN 381 Cb 0.30 -1.14 -0.09 0.00 -1.54 0.00 0.00 39.78 37.31 1dwj n ASN 381 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1dwj s ILE 382 N -1.47 4.70 0.02 2.41 1.01 -0.44 -4.86 121.20 122.57 1dwj s ILE 382 Ca 0.64 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 61.28 1dwj s ILE 382 Cb -0.59 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1dwj s ILE 382 CO 0.58 0.56 -0.24 -0.31 0.00 0.00 0.00 174.94 175.53 1dwj s TYR 383 N -0.44 2.09 0.47 3.97 1.51 -1.26 0.52 117.35 124.21 1dwj s TYR 383 Ca 0.09 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 1dwj s TYR 383 Cb -0.12 -1.29 0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1dwj s TYR 383 CO 0.02 0.04 0.63 1.52 -1.11 0.00 0.00 175.55 176.65 1dwj s TYR 384 N -0.68 2.33 -0.31 2.71 -0.85 -0.41 -4.51 117.35 115.63 1dwj s TYR 384 Ca 0.09 -0.52 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1dwj s TYR 384 Cb -0.09 -2.31 0.15 0.00 0.38 0.00 0.00 41.96 40.09 1dwj s TYR 384 CO 0.01 -0.65 0.36 -0.47 -1.52 0.00 0.00 175.55 173.28 1dwj s TYR 385 N -2.47 -0.68 0.41 -3.49 5.04 -1.26 -2.92 117.35 111.97 1dwj s TYR 385 Ca 0.57 -0.09 0.09 0.00 -2.44 0.00 0.00 57.07 55.20 1dwj s TYR 385 Cb -0.08 -0.31 0.89 0.00 0.35 0.00 0.00 41.96 42.81 1dwj s TYR 385 CO 0.34 -0.96 2.00 -1.35 -1.34 0.00 0.00 175.55 174.24 1dwj h PRO 386 N 7.97 0.54 0.00 4.97 0.11 -1.90 -1.32 132.00 142.36 1dwj h PRO 386 Ca -0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1dwj h PRO 386 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1dwj h PRO 386 CO 0.28 0.36 0.00 1.17 -0.21 0.00 0.00 178.00 179.59 1dwj n LYS 387 N -4.47 0.11 0.02 1.05 4.81 -1.26 -2.74 118.16 115.67 1dwj n LYS 387 Ca 0.08 0.22 -0.02 0.00 -0.87 0.00 0.00 58.31 57.72 1dwj n LYS 387 Cb 0.24 -1.50 0.25 0.00 0.02 0.00 0.00 35.03 34.04 1dwj n LYS 387 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1dwj h GLY 388 N 1.91 0.51 2.00 3.14 0.00 -1.66 -1.29 103.07 107.68 1dwj h GLY 388 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1dwj h GLY 388 CO 0.00 0.33 -0.39 1.19 0.00 0.00 0.00 176.54 177.67 1dwj h ILE 389 N 0.43 1.21 -0.14 2.60 2.10 -1.72 -0.04 117.51 121.96 1dwj h ILE 389 Ca 0.08 -1.38 -0.07 0.00 1.08 0.00 0.00 64.86 64.56 1dwj h ILE 389 Cb 0.52 1.76 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1dwj h ILE 389 CO 0.03 0.39 -0.20 0.22 -1.08 0.00 0.00 178.15 177.50 1dwj h TYR 390 N 0.00 0.47 -0.24 2.19 5.03 -1.58 -2.01 116.97 120.83 1dwj h TYR 390 Ca -0.00 -0.16 -0.14 0.00 2.58 0.00 0.00 58.73 61.01 1dwj h TYR 390 Cb 0.73 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.92 1dwj h TYR 390 CO 0.00 0.82 -0.38 0.77 -1.32 0.00 0.00 178.16 178.04 1dwj h SER 391 N -0.02 0.75 0.34 -2.11 0.02 -0.87 -1.71 113.55 109.95 1dwj h SER 391 Ca 0.01 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.42 1dwj h SER 391 Cb 0.77 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1dwj h SER 391 CO 0.05 1.13 -0.16 0.58 -1.14 0.00 0.00 176.83 177.28 1dwj h VAL 392 N 0.40 0.67 -0.22 2.27 2.07 -1.07 -0.52 116.25 119.84 1dwj h VAL 392 Ca 0.02 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1dwj h VAL 392 Cb 0.98 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1dwj h VAL 392 CO 0.09 0.02 0.04 0.24 0.02 0.00 0.00 177.57 177.97 1dwj h MET 393 N -0.50 0.12 -0.98 1.57 2.86 -1.41 -0.06 114.93 116.53 1dwj h MET 393 Ca -0.05 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1dwj h MET 393 Cb 0.38 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 1dwj h MET 393 CO 0.08 0.08 0.64 0.22 1.06 0.00 0.00 176.91 178.98 1dwj h ASP 394 N 0.12 1.07 -0.00 1.22 3.58 -1.27 -1.45 116.42 119.69 1dwj h ASP 394 Ca 0.10 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1dwj h ASP 394 Cb 0.11 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 1dwj h ASP 394 CO -0.14 0.73 -0.02 0.22 -2.88 0.00 0.00 179.24 177.15 1dwj h TYR 395 N 1.24 -0.04 -0.84 0.28 3.20 -0.69 -1.90 116.97 118.21 1dwj h TYR 395 Ca 0.39 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.29 1dwj h TYR 395 Cb 0.00 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1dwj h TYR 395 CO -0.00 -0.03 0.55 0.74 -1.64 0.00 0.00 178.16 177.77 1dwj h PHE 396 N -0.03 1.03 0.04 -3.82 -1.00 -0.38 0.22 116.94 112.99 1dwj h PHE 396 Ca 0.01 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.82 1dwj h PHE 396 Cb 0.04 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.25 1dwj h PHE 396 CO -0.10 0.60 -0.07 -0.22 -1.61 0.00 0.00 178.31 176.92 1dwj h LYS 397 N 1.07 -0.13 -0.07 1.51 3.64 -1.11 -1.06 116.57 120.42 1dwj h LYS 397 Ca 0.33 0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.50 1dwj h LYS 397 Cb -0.02 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1dwj h LYS 397 CO -0.11 -0.09 -0.80 -0.91 -2.27 0.00 0.00 179.45 175.28 1dwj h ASN 398 N -0.13 0.82 1.02 4.20 2.35 -1.20 -1.75 115.58 120.89 1dwj h ASN 398 Ca 0.01 -0.69 -0.12 0.00 -0.55 0.00 0.00 56.30 54.96 1dwj h ASN 398 Cb 0.15 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1dwj h ASN 398 CO -0.04 1.39 -1.04 0.50 -1.65 0.00 0.00 177.43 176.59 1dwj h LYS 399 N 0.33 0.00 -0.76 0.81 3.64 -0.64 -3.40 116.57 116.55 1dwj h LYS 399 Ca -0.08 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.81 1dwj h LYS 399 Cb 1.45 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.85 1dwj h LYS 399 CO 0.16 0.29 -0.88 0.66 -2.27 0.00 0.00 179.45 177.41 1dwj n TYR 400 N -2.96 2.47 -3.05 1.91 4.01 -0.40 -4.97 117.16 114.16 1dwj n TYR 400 Ca -0.04 -2.30 -0.19 0.00 -0.16 0.00 0.00 57.90 55.21 1dwj n TYR 400 Cb 0.75 -0.30 0.04 0.00 -0.31 0.00 0.00 39.34 39.53 1dwj n TYR 400 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1dwj n TYR 401 N -0.65 -1.87 -3.62 -0.72 4.01 -1.24 -4.03 117.16 109.04 1dwj n TYR 401 Ca 0.35 0.56 -0.27 0.00 -0.16 0.00 0.00 57.90 58.39 1dwj n TYR 401 Cb 0.90 -4.04 0.03 0.00 -0.31 0.00 0.00 39.34 35.92 1dwj n TYR 401 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1dwj n ASN 402 N -1.91 -5.59 -4.82 7.72 5.15 -0.66 -4.94 115.26 110.21 1dwj n ASN 402 Ca -0.06 -0.89 -0.32 0.00 -0.60 0.00 0.00 54.58 52.71 1dwj n ASN 402 Cb 0.58 -3.35 0.01 0.00 -0.53 0.00 0.00 39.78 36.50 1dwj n ASN 402 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1dwj s PRO 403 N -5.44 3.35 0.03 1.20 0.04 -1.26 -4.96 135.00 127.95 1dwj s PRO 403 Ca 0.34 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.15 1dwj s PRO 403 Cb -0.12 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1dwj s PRO 403 CO 0.85 -0.78 1.13 -1.17 0.04 0.00 0.00 177.00 177.08 1dwj s LEU 404 N -4.73 4.36 -0.02 -3.56 2.96 -1.26 -4.43 118.68 112.00 1dwj s LEU 404 Ca 0.61 1.88 0.06 0.00 -0.22 0.00 0.00 54.13 56.46 1dwj s LEU 404 Cb -0.14 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1dwj s LEU 404 CO 0.41 -0.43 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.19 1dwj s ILE 405 N 1.21 1.54 -0.11 6.68 1.01 0.52 -1.44 121.20 130.61 1dwj s ILE 405 Ca 0.56 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1dwj s ILE 405 Cb -0.26 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 40.94 1dwj s ILE 405 CO 0.28 0.43 -0.18 -0.31 0.00 0.00 0.00 174.94 175.16 1dwj s TYR 406 N -0.46 2.21 -0.51 3.97 1.51 -0.58 -0.66 117.35 122.84 1dwj s TYR 406 Ca 0.07 -1.02 -0.28 0.00 -1.01 0.00 0.00 57.07 54.83 1dwj s TYR 406 Cb -0.08 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1dwj s TYR 406 CO -0.01 -0.48 1.43 0.08 -1.11 0.00 0.00 175.55 175.46 1dwj s VAL 407 N 0.79 3.81 -1.16 0.71 1.01 0.01 -0.58 120.40 124.98 1dwj s VAL 407 Ca -0.10 0.74 0.23 0.00 0.00 0.00 0.00 61.98 62.85 1dwj s VAL 407 Cb -0.16 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 1dwj s VAL 407 CO 0.01 -1.01 1.19 0.35 0.00 0.00 0.00 175.10 175.64 1dwj n THR 408 N 6.96 0.00 -3.66 3.92 -2.24 0.06 -0.80 114.28 118.52 1dwj n THR 408 Ca 0.14 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 1dwj n THR 408 Cb 0.49 0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 1dwj n THR 408 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1dwj s GLU 409 N -2.91 0.70 -0.30 -0.78 2.02 -1.22 -4.68 118.70 111.53 1dwj s GLU 409 Ca 0.12 0.91 -0.14 0.00 0.02 0.00 0.00 54.97 55.87 1dwj s GLU 409 Cb 0.17 0.30 0.15 0.00 0.10 0.00 0.00 34.13 34.85 1dwj s GLU 409 CO 0.74 -0.10 0.89 1.21 0.02 0.00 0.00 175.26 178.02 1dwj s ASN 410 N 0.58 -0.71 0.05 -0.19 3.84 -1.21 -2.28 114.94 115.01 1dwj s ASN 410 Ca -0.02 1.02 -0.27 0.00 0.21 0.00 0.00 52.86 53.80 1dwj s ASN 410 Cb -0.05 1.69 0.09 0.00 -0.55 0.00 0.00 41.25 42.44 1dwj s ASN 410 CO -0.03 -0.15 1.21 -0.83 -2.79 0.00 0.00 177.10 174.51 1dwj s GLY 411 N 2.28 -0.07 -0.09 1.21 0.00 -1.26 -0.02 107.32 109.36 1dwj s GLY 411 Ca -0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 1dwj s GLY 411 CO -0.17 4.23 0.28 -1.50 0.00 0.00 0.00 173.10 175.93 1dwj s ILE 412 N -2.10 0.01 0.32 0.90 2.07 -1.26 -4.95 121.20 116.18 1dwj s ILE 412 Ca 0.26 -0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 1dwj s ILE 412 Cb -0.01 -0.42 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 1dwj s ILE 412 CO 0.01 -0.04 0.49 -0.94 -1.91 0.00 0.00 174.94 172.55 1dwj s SER 413 N -0.04 6.20 0.13 4.50 1.04 -1.26 -4.60 113.70 119.67 1dwj s SER 413 Ca -0.02 0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.69 1dwj s SER 413 Cb -0.02 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 1dwj s SER 413 CO 0.01 -0.29 -0.13 0.42 0.98 0.00 0.00 173.24 174.22 1dwj s THR 414 N -2.22 1.31 0.31 2.02 -4.23 0.05 -4.89 115.64 107.99 1dwj s THR 414 Ca 0.40 -1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 58.84 1dwj s THR 414 Cb -0.09 -1.58 -0.11 0.00 1.34 0.00 0.00 72.50 72.06 1dwj s THR 414 CO 0.33 -0.47 1.49 -2.84 -0.54 0.00 0.00 174.62 172.59 1dwj s PRO 415 N -2.84 4.19 0.54 3.99 0.02 -1.26 -0.25 135.00 139.39 1dwj s PRO 415 Ca 0.10 2.46 0.34 0.00 0.02 0.00 0.00 61.00 63.92 1dwj s PRO 415 Cb -0.04 -3.04 1.40 0.00 0.02 0.00 0.00 34.50 32.85 1dwj s PRO 415 CO 0.03 -0.49 1.99 0.78 -0.33 0.00 0.00 177.00 178.98 1dwj h GLY 416 N 4.21 0.00 0.18 0.52 0.00 0.19 -3.17 103.07 105.00 1dwj h GLY 416 Ca -0.48 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.01 1dwj h GLY 416 CO 0.73 0.00 0.48 -0.55 0.00 0.00 0.00 176.54 177.20 1dwj h ASP 417 N 0.00 0.58 -3.28 0.19 5.19 -1.90 -3.43 116.42 113.77 1dwj h ASP 417 Ca 0.00 0.10 -0.58 0.00 -0.62 0.00 0.00 57.03 55.93 1dwj h ASP 417 Cb 0.48 0.00 0.15 0.00 0.18 0.00 0.00 39.33 40.14 1dwj h ASP 417 CO 0.00 0.22 0.12 -0.62 -3.12 0.00 0.00 179.24 175.84 1dwj n GLU 418 N -4.85 1.13 -1.06 3.56 1.02 -1.20 -5.01 120.64 114.23 1dwj n GLU 418 Ca 0.19 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.62 1dwj n GLU 418 Cb 0.48 -2.08 0.08 0.00 -0.02 0.00 0.00 31.44 29.90 1dwj n GLU 418 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1dwj n ASN 419 N -0.00 0.21 -0.23 1.62 0.23 -1.26 -4.72 115.26 111.11 1dwj n ASN 419 Ca 0.11 -1.31 -0.06 0.00 -0.53 0.00 0.00 54.58 52.79 1dwj n ASN 419 Cb 0.43 -0.42 0.04 0.00 -2.08 0.00 0.00 39.78 37.75 1dwj n ASN 419 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1dwj h ARG 420 N 0.00 0.89 -0.43 -3.83 2.43 -1.96 0.13 114.38 111.61 1dwj h ARG 420 Ca -0.19 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1dwj h ARG 420 Cb 0.56 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1dwj h ARG 420 CO 0.15 0.65 -0.00 -0.91 -1.51 0.00 0.00 179.97 178.34 1dwj h ASN 421 N 0.89 0.74 -0.28 -3.80 4.21 -1.99 -1.52 115.58 113.82 1dwj h ASN 421 Ca 0.23 -0.31 -0.13 0.00 1.21 0.00 0.00 56.30 57.30 1dwj h ASN 421 Cb -0.01 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 1dwj h ASN 421 CO -0.04 0.87 -0.30 1.56 -1.29 0.00 0.00 177.43 178.23 1dwj h GLN 422 N 0.60 0.80 0.00 0.81 4.20 -1.85 -2.95 115.11 116.72 1dwj h GLN 422 Ca 0.12 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1dwj h GLN 422 Cb 0.49 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1dwj h GLN 422 CO 0.02 0.99 -0.38 0.77 -0.67 0.00 0.00 178.83 179.56 1dwj h SER 423 N 0.68 0.00 1.95 1.46 0.02 -0.59 -2.48 113.55 114.58 1dwj h SER 423 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1dwj h SER 423 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1dwj h SER 423 CO 0.07 0.38 0.00 0.24 -1.14 0.00 0.00 176.83 176.38 1dwj h MET 424 N 0.00 0.00 -2.57 3.45 2.86 -1.13 -3.37 114.93 114.18 1dwj h MET 424 Ca -0.00 0.00 -0.81 0.00 -2.06 0.00 0.00 59.70 56.83 1dwj h MET 424 Cb 0.82 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.20 1dwj h MET 424 CO 0.05 0.00 0.93 1.28 1.06 0.00 0.00 176.91 180.23 1dwj n LEU 425 N -3.09 6.94 -3.98 1.22 4.77 -0.93 -0.53 117.00 121.38 1dwj n LEU 425 Ca 0.04 -5.31 -0.43 0.00 -0.03 0.00 0.00 56.01 50.28 1dwj n LEU 425 Cb 0.52 -1.22 0.01 0.00 -2.33 0.00 0.00 43.42 40.40 1dwj n LEU 425 CO 0.34 1.88 1.65 -0.90 -1.33 0.00 0.00 177.39 179.03 1dwj n ASP 426 N 0.59 5.46 0.19 -1.43 5.75 -1.26 -4.73 116.55 121.12 1dwj n ASP 426 Ca 0.37 -3.17 0.05 0.00 -0.01 0.00 0.00 54.79 52.03 1dwj n ASP 426 Cb 0.29 -1.43 0.38 0.00 -1.03 0.00 0.00 41.12 39.33 1dwj n ASP 426 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1dwj h TYR 427 N 5.85 0.00 0.00 2.11 0.05 -1.92 -2.07 116.97 120.99 1dwj h TYR 427 Ca 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 1dwj h TYR 427 Cb 0.66 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.40 1dwj h TYR 427 CO 1.16 0.37 -0.09 1.79 -1.05 0.00 0.00 178.16 180.34 1dwj h THR 428 N 0.00 0.77 -0.09 -2.88 1.35 -2.01 -1.68 112.91 108.37 1dwj h THR 428 Ca -0.00 -0.34 -0.20 0.00 -0.55 0.00 0.00 66.41 65.32 1dwj h THR 428 Cb 0.76 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1dwj h THR 428 CO 0.05 0.09 -0.76 -0.09 -0.25 0.00 0.00 175.52 174.55 1dwj h ARG 429 N 0.00 0.51 -0.73 4.72 2.43 -1.74 -2.51 114.38 117.05 1dwj h ARG 429 Ca -0.00 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 1dwj h ARG 429 Cb 0.19 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1dwj h ARG 429 CO 0.01 1.05 0.26 0.82 -1.51 0.00 0.00 179.97 180.60 1dwj h ILE 430 N 0.34 1.26 -0.32 1.20 2.04 -1.28 -1.00 117.51 119.75 1dwj h ILE 430 Ca -0.04 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 1dwj h ILE 430 Cb 1.35 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1dwj h ILE 430 CO 0.14 0.34 0.08 0.44 0.00 0.00 0.00 178.15 179.14 1dwj h ASP 431 N 1.06 0.49 0.44 1.72 3.32 -1.40 0.78 116.42 122.82 1dwj h ASP 431 Ca 0.24 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1dwj h ASP 431 Cb 0.26 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1dwj h ASP 431 CO -0.01 0.59 -0.31 0.22 -1.72 0.00 0.00 179.24 178.01 1dwj h TYR 432 N 0.37 -0.81 -0.44 4.55 3.20 -1.23 -1.14 116.97 121.46 1dwj h TYR 432 Ca 0.10 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1dwj h TYR 432 Cb 0.29 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1dwj h TYR 432 CO 0.01 -0.46 -0.07 -0.07 -1.64 0.00 0.00 178.16 175.94 1dwj h LEU 433 N -0.73 0.83 -0.72 2.82 3.38 -1.13 -2.37 115.31 117.39 1dwj h LEU 433 Ca -0.04 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1dwj h LEU 433 Cb 0.61 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1dwj h LEU 433 CO 0.02 0.98 -0.09 0.00 0.09 0.00 0.00 178.44 179.44 1dwj h SER 435 N 0.80 0.00 -0.11 0.00 4.64 -1.19 0.10 113.55 117.79 1dwj h SER 435 Ca 0.13 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.28 1dwj h SER 435 Cb 0.60 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1dwj h SER 435 CO 0.04 0.64 -0.59 0.45 -0.87 0.00 0.00 176.83 176.50 1dwj h HIS 436 N 0.00 0.81 -0.34 4.77 -0.00 -1.19 -2.69 115.15 116.51 1dwj h HIS 436 Ca -0.01 -0.36 -0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1dwj h HIS 436 Cb 1.16 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 1dwj h HIS 436 CO 0.00 1.16 0.20 -0.07 -0.00 0.00 0.00 177.93 179.22 1dwj h LEU 437 N 0.23 0.40 -0.53 2.43 3.38 -0.75 0.31 115.31 120.78 1dwj h LEU 437 Ca -0.04 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1dwj h LEU 437 Cb 1.24 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1dwj h LEU 437 CO 0.12 0.31 -0.22 0.00 0.09 0.00 0.00 178.44 178.75 1dwj h PHE 439 N 0.83 0.00 -0.20 0.00 0.04 -1.09 -2.07 116.94 114.45 1dwj h PHE 439 Ca 0.11 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 1dwj h PHE 439 Cb 0.79 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.94 1dwj h PHE 439 CO 0.05 0.60 -0.19 1.25 -0.60 0.00 0.00 178.31 179.42 1dwj h LEU 440 N 0.00 0.51 -0.92 1.54 5.85 -0.16 -2.10 115.31 120.04 1dwj h LEU 440 Ca -0.01 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1dwj h LEU 440 Cb 1.30 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1dwj h LEU 440 CO 0.08 0.88 0.60 -1.13 -0.34 0.00 0.00 178.44 178.53 1dwj h ASN 441 N 0.15 1.02 -0.54 1.25 -1.24 -1.10 -1.49 115.58 113.62 1dwj h ASN 441 Ca 0.03 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 1dwj h ASN 441 Cb 0.73 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1dwj h ASN 441 CO 0.05 0.72 0.09 0.50 -1.29 0.00 0.00 177.43 177.49 1dwj h LYS 442 N 1.20 0.95 -0.03 6.67 3.64 -1.30 -1.55 116.57 126.13 1dwj h LYS 442 Ca 0.35 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 1dwj h LYS 442 Cb -0.07 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1dwj h LYS 442 CO -0.10 0.88 -0.72 -0.24 -2.27 0.00 0.00 179.45 177.01 1dwj h VAL 443 N 0.89 1.44 -0.49 2.00 3.04 -0.87 0.46 116.25 122.72 1dwj h VAL 443 Ca 0.18 -2.27 -0.07 0.00 -1.01 0.00 0.00 66.70 63.53 1dwj h VAL 443 Cb 0.40 2.21 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 1dwj h VAL 443 CO 0.01 0.66 0.04 0.40 -1.01 0.00 0.00 177.57 177.68 1dwj h ILE 444 N 0.13 1.26 -0.08 3.17 2.04 -0.88 -1.88 117.51 121.26 1dwj h ILE 444 Ca -0.02 -1.00 -0.16 0.00 1.00 0.00 0.00 64.86 64.68 1dwj h ILE 444 Cb 1.27 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1dwj h ILE 444 CO 0.11 0.35 -0.59 0.11 0.00 0.00 0.00 178.15 178.13 1dwj h LYS 445 N 0.71 0.55 0.00 2.37 1.57 -1.04 -1.18 116.57 119.55 1dwj h LYS 445 Ca 0.15 -0.48 -0.25 0.00 -1.87 0.00 0.00 60.65 58.20 1dwj h LYS 445 Cb 0.45 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1dwj h LYS 445 CO 0.02 1.10 -1.36 0.93 -0.57 0.00 0.00 179.45 179.57 1dwj h GLU 446 N 0.15 0.00 -0.00 3.15 5.08 -0.96 -3.37 114.58 118.63 1dwj h GLU 446 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1dwj h GLU 446 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1dwj h GLU 446 CO 0.12 0.71 -0.13 1.63 -1.00 0.00 0.00 179.01 180.34 1dwj n LYS 447 N -3.18 2.73 -3.66 2.33 4.76 -0.72 -5.01 118.16 115.41 1dwj n LYS 447 Ca -0.09 -0.40 -0.24 0.00 -2.87 0.00 0.00 58.31 54.72 1dwj n LYS 447 Cb 0.99 -0.92 0.06 0.00 -1.84 0.00 0.00 35.03 33.33 1dwj n LYS 447 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1dwj n ASP 448 N -0.44 -4.32 -4.77 4.39 2.03 -0.45 -4.91 116.55 108.08 1dwj n ASP 448 Ca 0.02 -0.66 -0.38 0.00 0.52 0.00 0.00 54.79 54.30 1dwj n ASP 448 Cb 0.11 -4.63 -0.05 0.00 -0.72 0.00 0.00 41.12 35.83 1dwj n ASP 448 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1dwj s VAL 449 N -3.38 3.90 -1.47 5.18 -7.23 -1.21 -4.94 120.40 111.25 1dwj s VAL 449 Ca 0.40 1.62 -0.08 0.00 -1.81 0.00 0.00 61.98 62.11 1dwj s VAL 449 Cb -0.18 -3.92 0.02 0.00 0.56 0.00 0.00 36.38 32.86 1dwj s VAL 449 CO 0.77 0.17 2.59 -3.20 -0.31 0.00 0.00 175.10 175.13 1dwj n ASN 450 N 0.56 7.83 -4.67 4.85 5.15 -1.26 -4.66 115.26 123.06 1dwj n ASN 450 Ca 0.02 -2.86 -0.39 0.00 -0.60 0.00 0.00 54.58 50.74 1dwj n ASN 450 Cb 0.49 -1.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.19 1dwj n ASN 450 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1dwj s VAL 451 N 0.79 5.08 -0.40 3.44 1.01 -1.26 -0.36 120.40 128.70 1dwj s VAL 451 Ca 0.60 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.67 1dwj s VAL 451 Cb 0.17 -3.88 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1dwj s VAL 451 CO -0.07 0.17 1.00 0.29 0.00 0.00 0.00 175.10 176.49 1dwj n LYS 452 N 4.74 2.23 -3.61 2.72 5.02 0.16 -4.95 118.16 124.47 1dwj n LYS 452 Ca -0.04 -1.51 -0.01 0.00 -2.02 0.00 0.00 58.31 54.73 1dwj n LYS 452 Cb 0.50 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.40 1dwj n LYS 452 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1dwj s GLY 453 N -0.86 -0.32 -0.11 0.72 0.00 -1.26 -2.43 107.32 103.07 1dwj s GLY 453 Ca 0.08 1.40 -0.04 0.00 0.00 0.00 0.00 44.72 46.16 1dwj s GLY 453 CO 0.06 0.42 0.22 -0.47 0.00 0.00 0.00 173.10 173.33 1dwj s TYR 454 N -2.24 -0.31 -0.26 1.90 5.04 -0.10 -0.81 117.35 120.57 1dwj s TYR 454 Ca 0.12 0.79 0.02 0.00 -2.44 0.00 0.00 57.07 55.56 1dwj s TYR 454 Cb 0.02 -0.07 0.06 0.00 0.35 0.00 0.00 41.96 42.32 1dwj s TYR 454 CO -0.04 -0.28 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.30 1dwj s LEU 455 N 1.96 3.18 0.39 6.97 1.43 0.02 -1.06 118.68 131.57 1dwj s LEU 455 Ca -0.02 -1.38 -0.26 0.00 -1.03 0.00 0.00 54.13 51.45 1dwj s LEU 455 Cb -0.12 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 1dwj s LEU 455 CO -0.08 -0.23 1.19 0.00 0.23 0.00 0.00 176.35 177.47 1dwj s ALA 456 N 1.21 3.19 -0.18 4.21 0.00 0.61 -3.31 121.76 127.49 1dwj s ALA 456 Ca -0.06 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.83 1dwj s ALA 456 Cb -0.19 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1dwj s ALA 456 CO -0.06 -0.56 0.11 -0.46 0.00 0.00 0.00 175.76 174.79 1dwj s TRP 457 N -1.37 3.39 0.41 0.00 -0.11 0.97 -0.71 118.94 121.51 1dwj s TRP 457 Ca 0.56 0.29 0.04 0.00 1.22 0.00 0.00 56.10 58.21 1dwj s TRP 457 Cb -0.32 -2.10 -0.04 0.00 -1.50 0.00 0.00 33.47 29.51 1dwj s TRP 457 CO 0.41 0.33 0.06 0.00 -4.62 0.00 0.00 176.95 173.13 1dwj s ALA 458 N 0.12 3.06 0.05 5.86 0.00 -0.86 -4.29 121.76 125.70 1dwj s ALA 458 Ca 0.08 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.34 1dwj s ALA 458 Cb -0.11 0.48 -0.17 0.00 0.00 0.00 0.00 23.12 23.31 1dwj s ALA 458 CO -0.01 -0.23 1.52 1.25 0.00 0.00 0.00 175.76 178.30 1dwj h LEU 459 N 1.79 -0.21 -8.58 0.00 6.46 -1.66 -1.86 115.31 111.24 1dwj h LEU 459 Ca -0.40 -0.12 -0.26 0.00 -0.12 0.00 0.00 57.88 56.98 1dwj h LEU 459 Cb 1.27 0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 41.13 1dwj h LEU 459 CO 0.68 -0.01 -0.44 -0.83 -0.62 0.00 0.00 178.44 177.23 1dwj s GLY 460 N -2.46 1.47 0.30 3.75 0.00 -1.26 -1.58 107.32 107.53 1dwj s GLY 460 Ca -0.15 -1.60 -0.29 0.00 0.00 0.00 0.00 44.72 42.68 1dwj s GLY 460 CO 0.63 -1.21 1.43 0.99 0.00 0.00 0.00 173.10 174.93 1dwj s ASP 461 N -3.19 6.60 0.37 1.64 1.01 -1.11 -3.66 116.67 118.33 1dwj s ASP 461 Ca 0.35 2.78 -0.05 0.00 0.71 0.00 0.00 52.55 56.34 1dwj s ASP 461 Cb 0.04 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1dwj s ASP 461 CO 0.16 -0.71 0.58 -0.46 0.21 0.00 0.00 175.17 174.95 1dwj n ASN 462 N 1.50 -1.65 -4.70 0.27 6.94 -1.26 -4.76 115.26 111.59 1dwj n ASN 462 Ca 0.04 -2.86 -0.42 0.00 -0.02 0.00 0.00 54.58 51.32 1dwj n ASN 462 Cb 0.40 2.96 -0.03 0.00 -2.36 0.00 0.00 39.78 40.75 1dwj n ASN 462 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1dwj s TYR 463 N -2.66 3.07 -0.23 -2.53 5.04 -1.02 -4.76 117.35 114.26 1dwj s TYR 463 Ca 0.26 0.91 -0.08 0.00 -2.44 0.00 0.00 57.07 55.71 1dwj s TYR 463 Cb -0.02 -3.66 -0.04 0.00 0.35 0.00 0.00 41.96 38.59 1dwj s TYR 463 CO 0.19 -2.36 0.09 -2.00 -1.34 0.00 0.00 175.55 170.13 1dwj s GLU 464 N 1.68 3.85 -0.12 4.97 2.56 -0.29 -4.67 118.70 126.69 1dwj s GLU 464 Ca 0.64 -0.39 -0.39 0.00 0.00 0.00 0.00 54.97 54.83 1dwj s GLU 464 Cb -0.34 -3.35 -0.17 0.00 2.00 0.00 0.00 34.13 32.27 1dwj s GLU 464 CO 0.29 0.01 1.53 1.19 -0.56 0.00 0.00 175.26 177.71 1dwj n PHE 465 N 4.37 1.73 -0.47 5.30 3.72 -1.26 -0.52 117.46 130.33 1dwj n PHE 465 Ca -0.16 0.64 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1dwj n PHE 465 Cb 0.52 -2.37 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 1dwj n PHE 465 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1dwj n ASN 466 N 3.86 0.00 -0.00 4.37 5.03 -1.24 -4.77 115.26 122.52 1dwj n ASN 466 Ca 0.23 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.68 1dwj n ASN 466 Cb 0.14 -0.99 -0.01 0.00 -1.02 0.00 0.00 39.78 37.91 1dwj n ASN 466 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1dwj n LYS 467 N -2.00 6.54 0.00 3.52 4.76 0.32 -3.86 118.16 127.45 1dwj n LYS 467 Ca 0.00 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1dwj n LYS 467 Cb 0.00 -0.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 1dwj n LYS 467 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dwj n GLY 468 N 1.05 2.47 1.47 0.72 0.00 -0.49 -2.36 105.19 108.05 1dwj n GLY 468 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1dwj n GLY 468 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dwj n PHE 469 N 13.51 1.66 0.69 1.61 3.01 -1.26 -1.14 117.46 135.54 1dwj n PHE 469 Ca 0.00 -1.64 0.12 0.00 1.01 0.00 0.00 57.45 56.94 1dwj n PHE 469 Cb 0.00 -0.62 0.19 0.00 -0.01 0.00 0.00 39.48 39.04 1dwj n PHE 469 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1dwj n THR 470 N -1.08 0.23 -4.23 4.37 -2.24 -0.99 -4.59 114.28 105.74 1dwj n THR 470 Ca 0.40 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.80 1dwj n THR 470 Cb 1.22 -0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.33 1dwj n THR 470 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1dwj s VAL 471 N -3.12 1.36 -0.08 2.28 -7.23 -1.26 0.84 120.40 113.19 1dwj s VAL 471 Ca 0.07 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1dwj s VAL 471 Cb 0.15 -1.41 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 1dwj s VAL 471 CO 0.72 -0.29 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.85 1dwj s ARG 472 N -2.25 2.79 -0.00 4.82 0.52 0.66 -4.70 118.95 120.77 1dwj s ARG 472 Ca 0.05 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.42 1dwj s ARG 472 Cb -0.07 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 1dwj s ARG 472 CO 0.03 0.29 0.16 1.19 0.02 0.00 0.00 175.30 176.99 1dwj n PHE 473 N 3.20 0.00 -1.37 -0.53 3.01 -1.26 -0.77 117.46 119.74 1dwj n PHE 473 Ca -0.18 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.96 1dwj n PHE 473 Cb 0.52 -0.03 0.09 0.00 -0.01 0.00 0.00 39.48 40.05 1dwj n PHE 473 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1dwj s GLY 474 N -1.77 1.95 0.16 1.37 0.00 -1.24 -2.03 107.32 105.76 1dwj s GLY 474 Ca 0.01 0.51 0.23 0.00 0.00 0.00 0.00 44.72 45.47 1dwj s GLY 474 CO 0.18 0.88 1.15 1.41 0.00 0.00 0.00 173.10 176.72 1dwj h LEU 475 N -0.72 0.00 -8.79 0.66 4.07 -1.01 -3.44 115.31 106.09 1dwj h LEU 475 Ca -0.45 -0.11 -0.69 0.00 0.08 0.00 0.00 57.88 56.71 1dwj h LEU 475 Cb 1.25 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 42.74 1dwj h LEU 475 CO 0.50 0.05 -0.87 -0.94 -1.08 0.00 0.00 178.44 176.11 1dwj s SER 476 N -4.86 3.28 0.14 -0.43 1.04 -0.62 -1.30 113.70 110.96 1dwj s SER 476 Ca 0.02 -0.58 -0.25 0.00 0.48 0.00 0.00 55.95 55.63 1dwj s SER 476 Cb 0.11 -0.33 -0.08 0.00 0.10 0.00 0.00 66.02 65.82 1dwj s SER 476 CO 0.77 0.25 0.75 -0.47 0.98 0.00 0.00 173.24 175.52 1dwj s TYR 477 N -0.84 3.88 -0.09 5.02 5.04 0.25 -2.75 117.35 127.86 1dwj s TYR 477 Ca 0.12 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 1dwj s TYR 477 Cb -0.10 -2.74 0.02 0.00 0.35 0.00 0.00 41.96 39.49 1dwj s TYR 477 CO 0.03 0.50 -0.07 0.42 -1.34 0.00 0.00 175.55 175.09 1dwj s ILE 478 N -1.02 0.87 -0.34 3.14 1.01 -1.26 -1.62 121.20 121.98 1dwj s ILE 478 Ca 0.35 -0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 1dwj s ILE 478 Cb -0.22 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.37 1dwj s ILE 478 CO 0.25 0.33 1.23 -0.62 0.00 0.00 0.00 174.94 176.13 1dwj s ASP 479 N 1.43 6.69 0.65 3.58 -1.08 -1.26 -4.94 116.67 121.74 1dwj s ASP 479 Ca -0.01 1.02 0.43 0.00 -0.52 0.00 0.00 52.55 53.47 1dwj s ASP 479 Cb -0.13 -2.54 2.29 0.00 -1.46 0.00 0.00 42.92 41.08 1dwj s ASP 479 CO -0.04 -1.09 2.32 -0.50 0.52 0.00 0.00 175.17 176.37 1dwj h TRP 480 N 9.14 0.00 0.00 -5.34 4.06 -1.98 -0.19 115.95 121.63 1dwj h TRP 480 Ca -0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.71 1dwj h TRP 480 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 1dwj h TRP 480 CO 0.89 0.00 -0.34 0.09 -3.56 0.00 0.00 178.44 175.52 1dwj n ASN 481 N -3.06 0.34 -3.14 -3.49 3.02 -1.26 -4.53 115.26 103.14 1dwj n ASN 481 Ca -0.03 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.56 1dwj n ASN 481 Cb 0.10 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1dwj n ASN 481 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1dwj s ASN 482 N -3.03 -1.35 0.00 6.41 3.84 -0.09 -5.07 114.94 115.65 1dwj s ASN 482 Ca 0.12 0.00 0.25 0.00 0.21 0.00 0.00 52.86 53.44 1dwj s ASN 482 Cb 0.18 1.82 1.26 0.00 -0.55 0.00 0.00 41.25 43.96 1dwj s ASN 482 CO 0.65 -0.23 1.84 1.33 -2.79 0.00 0.00 177.10 177.89 1dwj n VAL 483 N 5.14 0.04 0.24 -5.21 0.24 -1.16 -4.24 118.33 113.39 1dwj n VAL 483 Ca 0.07 -0.12 -0.18 0.00 -2.04 0.00 0.00 64.34 62.07 1dwj n VAL 483 Cb 0.56 -0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 32.76 1dwj n VAL 483 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1dwj h THR 484 N 0.89 0.01 -3.68 3.34 2.02 -1.90 -3.43 112.91 110.16 1dwj h THR 484 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.67 1dwj h THR 484 Cb 0.19 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1dwj h THR 484 CO 0.00 0.00 0.46 -1.81 0.37 0.00 0.00 175.52 174.54 1dwj s ASP 485 N -4.46 7.31 -0.34 4.18 1.01 -1.26 -4.96 116.67 118.16 1dwj s ASP 485 Ca -0.17 2.15 -0.05 0.00 0.71 0.00 0.00 52.55 55.18 1dwj s ASP 485 Cb 0.05 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1dwj s ASP 485 CO 0.61 -0.14 0.09 -0.13 0.21 0.00 0.00 175.17 175.80 1dwj s ARG 486 N -0.90 2.50 -0.22 8.23 3.00 -1.26 -4.48 118.95 125.82 1dwj s ARG 486 Ca 0.46 -1.28 -0.08 0.00 0.00 0.00 0.00 55.73 54.84 1dwj s ARG 486 Cb -0.30 -3.39 -0.04 0.00 0.00 0.00 0.00 34.95 31.22 1dwj s ARG 486 CO 0.37 -0.70 0.07 -0.51 0.00 0.00 0.00 175.30 174.53 1dwj s ASP 487 N 1.43 5.43 -0.00 0.23 1.01 -0.64 -4.82 116.67 119.31 1dwj s ASP 487 Ca -0.02 -0.05 -0.33 0.00 0.71 0.00 0.00 52.55 52.86 1dwj s ASP 487 Cb -0.20 -1.95 -0.12 0.00 1.01 0.00 0.00 42.92 41.66 1dwj s ASP 487 CO 0.01 0.07 1.84 0.18 0.21 0.00 0.00 175.17 177.48 1dwj n LEU 488 N 4.24 3.57 0.00 1.23 4.77 -1.26 0.88 117.00 130.43 1dwj n LEU 488 Ca -0.16 0.98 -0.20 0.00 -0.03 0.00 0.00 56.01 56.61 1dwj n LEU 488 Cb 0.52 -1.42 0.14 0.00 -2.33 0.00 0.00 43.42 40.32 1dwj n LEU 488 CO 0.33 -0.03 0.58 0.29 -1.33 0.00 0.00 177.39 177.24 1dwj n LYS 489 N 6.10 -0.84 -0.19 3.23 5.02 -0.42 -4.77 118.16 126.30 1dwj n LYS 489 Ca 0.21 -1.40 0.05 0.00 -2.02 0.00 0.00 58.31 55.15 1dwj n LYS 489 Cb 0.32 -0.90 0.33 0.00 -0.02 0.00 0.00 35.03 34.75 1dwj n LYS 489 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1dwj h LYS 490 N 0.00 0.79 -0.67 1.97 1.79 -1.12 -0.83 116.57 118.50 1dwj h LYS 490 Ca -0.29 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.06 1dwj h LYS 490 Cb 0.80 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1dwj h LYS 490 CO 0.21 0.52 0.12 0.66 -1.08 0.00 0.00 179.45 179.88 1dwj h SER 491 N 0.82 1.04 -0.27 0.86 4.64 -1.81 -0.09 113.55 118.73 1dwj h SER 491 Ca 0.30 -0.24 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 1dwj h SER 491 Cb 0.16 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1dwj h SER 491 CO -0.09 1.02 -0.23 1.23 -0.87 0.00 0.00 176.83 177.88 1dwj h GLY 492 N 1.06 0.82 1.60 -0.77 0.00 -1.28 0.60 103.07 105.09 1dwj h GLY 492 Ca 0.21 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1dwj h GLY 492 CO 0.01 0.64 -0.58 1.46 0.00 0.00 0.00 176.54 178.07 1dwj h GLN 493 N 0.66 0.42 -0.04 4.80 4.20 -1.02 -1.39 115.11 122.73 1dwj h GLN 493 Ca 0.09 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1dwj h GLN 493 Cb 0.74 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1dwj h GLN 493 CO 0.06 0.88 0.02 2.35 -0.67 0.00 0.00 178.83 181.47 1dwj h TRP 494 N 0.31 0.07 -0.88 2.96 7.01 -0.73 -2.33 115.95 122.36 1dwj h TRP 494 Ca -0.00 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1dwj h TRP 494 Cb 1.11 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 28.11 1dwj h TRP 494 CO 0.04 0.18 0.51 -0.92 -2.79 0.00 0.00 178.44 175.46 1dwj h TYR 495 N -0.07 1.17 -0.32 2.65 3.20 -0.69 0.79 116.97 123.69 1dwj h TYR 495 Ca 0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1dwj h TYR 495 Cb 0.14 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 1dwj h TYR 495 CO -0.03 0.79 0.11 0.37 -1.64 0.00 0.00 178.16 177.76 1dwj h GLN 496 N 1.21 0.23 0.00 1.82 4.15 -1.10 -1.33 115.11 120.10 1dwj h GLN 496 Ca 0.31 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.63 1dwj h GLN 496 Cb -0.02 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 1dwj h GLN 496 CO -0.06 0.15 -0.43 1.15 -1.93 0.00 0.00 178.83 177.72 1dwj h THR 497 N 0.24 1.23 -0.24 2.39 2.02 -0.77 -1.74 112.91 116.05 1dwj h THR 497 Ca 0.15 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.77 1dwj h THR 497 Cb 0.13 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1dwj h THR 497 CO -0.16 0.42 -0.03 0.15 0.37 0.00 0.00 175.52 176.27 1dwj h PHE 498 N 0.00 0.49 -0.43 3.16 3.04 -0.14 -2.56 116.94 120.49 1dwj h PHE 498 Ca -0.00 -0.10 -0.12 0.00 3.98 0.00 0.00 57.97 61.73 1dwj h PHE 498 Cb 0.80 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.17 1dwj h PHE 498 CO 0.00 0.64 -0.19 0.82 -2.02 0.00 0.00 178.31 177.57 1dwj h ILE 499 N 0.19 1.28 -3.03 1.41 2.04 -1.14 0.16 117.51 118.41 1dwj h ILE 499 Ca 0.06 -1.33 -0.62 0.00 1.00 0.00 0.00 64.86 63.97 1dwj h ILE 499 Cb 0.47 1.22 -0.41 0.00 -0.74 0.00 0.00 36.82 37.36 1dwj h ILE 499 CO 0.02 0.45 -0.66 -0.44 0.00 0.00 0.00 178.15 177.52 1dwj s SER 500 N -6.59 4.08 0.00 1.72 0.01 -0.67 -4.52 113.70 107.74 1dwj s SER 500 Ca -0.12 -3.38 0.17 0.00 1.31 0.00 0.00 55.95 53.92 1dwj s SER 500 Cb 0.11 -1.38 1.00 0.00 0.21 0.00 0.00 66.02 65.96 1dwj s SER 500 CO 0.85 -0.15 1.41 -0.81 0.41 0.00 0.00 173.24 174.94