#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3u s VAL 17 N 0.00 5.10 0.00 1.39 1.01 0.56 -4.12 120.40 124.34 2p3u s VAL 17 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2p3u s VAL 17 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2p3u s VAL 17 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.89 2p3u n GLY 18 N 3.84 -0.41 7.00 4.51 0.00 -1.26 -2.08 105.19 116.78 2p3u n GLY 18 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2p3u n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3u n GLY 19 N 0.00 0.08 3.42 -0.02 0.00 -1.26 -4.91 105.19 102.51 2p3u n GLY 19 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 2p3u n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2p3u s GLN 20 N 0.00 1.62 0.50 1.61 0.00 -0.47 -4.99 119.66 117.93 2p3u s GLN 20 Ca 0.00 -1.61 -0.23 0.00 -0.00 0.00 0.00 55.36 53.51 2p3u s GLN 20 Cb 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 33.01 33.34 2p3u s GLN 20 CO 0.00 -0.64 1.34 -1.21 0.00 0.00 0.00 175.29 174.79 2p3u s GLU 21 N -3.63 3.44 -0.14 9.60 2.02 -1.26 -0.25 118.70 128.48 2p3u s GLU 21 Ca 0.31 2.21 -0.29 0.00 0.02 0.00 0.00 54.97 57.22 2p3u s GLU 21 Cb 0.02 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.79 2p3u s GLU 21 CO 0.16 -0.95 1.40 0.00 0.02 0.00 0.00 175.26 175.90 2p3u s LYS 23 N 3.76 1.42 -0.15 0.00 -0.14 -1.26 -4.90 119.74 118.47 2p3u s LYS 23 Ca 0.61 -0.40 -0.36 0.00 -1.36 0.00 0.00 55.97 54.46 2p3u s LYS 23 Cb -0.25 -2.02 -0.13 0.00 -1.68 0.00 0.00 37.83 33.75 2p3u s LYS 23 CO 0.20 -1.83 1.84 -3.47 -0.76 0.00 0.00 175.35 171.34 2p3u n ASP 24 N -3.33 3.13 0.00 2.83 2.03 -1.26 -1.23 116.55 118.72 2p3u n ASP 24 Ca 0.12 1.00 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2p3u n ASP 24 Cb 0.60 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 2p3u n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2p3u n GLY 25 N 4.35 1.23 0.13 0.27 0.00 -1.26 -4.93 105.19 104.98 2p3u n GLY 25 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.28 2p3u n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2p3u h GLU 26 N 3.28 0.00 -1.88 1.61 5.08 -1.52 -3.38 114.58 117.78 2p3u h GLU 26 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2p3u h GLU 26 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 2p3u h GLU 26 CO 0.00 0.43 -1.00 0.00 -1.00 0.00 0.00 179.01 177.45 2p3u n PRO 28 N 0.00 0.17 -0.01 0.00 -0.04 -1.26 -2.31 135.00 131.56 2p3u n PRO 28 Ca 0.26 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 2p3u n PRO 28 Cb 0.61 -1.78 0.46 0.00 -0.04 0.00 0.00 33.50 32.75 2p3u n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2p3u n TRP 29 N -2.10 0.03 -2.16 0.54 2.14 -1.03 -1.49 117.44 113.36 2p3u n TRP 29 Ca 0.03 -0.01 -0.41 0.00 2.07 0.00 0.00 57.50 59.18 2p3u n TRP 29 Cb 0.28 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.75 2p3u n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2p3u s GLN 30 N -1.97 4.36 0.17 -2.67 2.00 -0.98 -0.53 119.66 120.04 2p3u s GLN 30 Ca 0.36 2.13 0.09 0.00 -2.00 0.00 0.00 55.36 55.94 2p3u s GLN 30 Cb 0.21 -3.16 -0.04 0.00 0.80 0.00 0.00 33.01 30.82 2p3u s GLN 30 CO 0.32 -0.27 -0.19 0.00 -0.50 0.00 0.00 175.29 174.65 2p3u s ALA 31 N -0.13 2.06 -0.09 1.58 0.00 -0.20 -4.40 121.76 120.58 2p3u s ALA 31 Ca 0.56 -1.50 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2p3u s ALA 31 Cb -0.38 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2p3u s ALA 31 CO 0.42 0.26 -0.15 -1.17 0.00 0.00 0.00 175.76 175.11 2p3u s LEU 32 N -2.66 1.73 -0.17 0.00 2.96 0.05 -1.11 118.68 119.48 2p3u s LEU 32 Ca 0.16 -0.39 -0.25 0.00 -0.22 0.00 0.00 54.13 53.44 2p3u s LEU 32 Cb -0.06 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 2p3u s LEU 32 CO 0.07 0.04 0.80 -0.76 -1.32 0.00 0.00 176.35 175.18 2p3u s LEU 33 N 0.77 4.18 -0.01 -0.68 1.43 0.77 -0.56 118.68 124.58 2p3u s LEU 33 Ca -0.12 1.13 0.07 0.00 -1.03 0.00 0.00 54.13 54.18 2p3u s LEU 33 Cb -0.16 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2p3u s LEU 33 CO 0.02 -0.37 -0.23 0.27 0.23 0.00 0.00 176.35 176.28 2p3u s ILE 34 N 2.05 2.35 0.52 -0.59 -4.36 -0.34 -1.48 121.20 119.36 2p3u s ILE 34 Ca 0.37 -1.09 -0.04 0.00 -0.26 0.00 0.00 60.65 59.63 2p3u s ILE 34 Cb -0.16 -1.87 0.11 0.00 1.25 0.00 0.00 42.46 41.78 2p3u s ILE 34 CO 0.12 0.52 0.71 -0.46 0.24 0.00 0.00 174.94 176.08 2p3u n ASN 35 N 2.21 0.56 0.33 4.36 0.23 -0.37 -1.29 115.26 121.28 2p3u n ASN 35 Ca -0.16 -1.57 0.21 0.00 -0.53 0.00 0.00 54.58 52.53 2p3u n ASN 35 Cb 0.52 -0.50 1.12 0.00 -2.08 0.00 0.00 39.78 38.84 2p3u n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2p3u h GLU 36 N 0.00 0.00 -0.08 -3.83 5.08 -1.90 0.17 114.58 114.02 2p3u h GLU 36 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2p3u h GLU 36 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2p3u h GLU 36 CO 0.21 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.61 2p3u n GLU 37 N -3.28 1.57 -1.44 2.33 -0.58 -1.26 -4.90 120.64 113.08 2p3u n GLU 37 Ca -0.03 -0.84 -0.12 0.00 -0.42 0.00 0.00 57.16 55.75 2p3u n GLU 37 Cb 0.10 -1.42 -0.04 0.00 -0.57 0.00 0.00 31.44 29.50 2p3u n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2p3u n ASN 38 N 0.04 -4.31 -4.79 1.62 3.02 0.59 -5.01 115.26 106.42 2p3u n ASN 38 Ca 0.18 0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.61 2p3u n ASN 38 Cb 0.29 -2.91 -0.07 0.00 -0.61 0.00 0.00 39.78 36.48 2p3u n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2p3u s GLU 39 N -3.16 3.96 0.35 3.52 2.02 -1.26 -4.82 118.70 119.30 2p3u s GLU 39 Ca 0.00 0.02 -0.27 0.00 0.02 0.00 0.00 54.97 54.74 2p3u s GLU 39 Cb 0.00 -3.32 -0.09 0.00 0.10 0.00 0.00 34.13 30.81 2p3u s GLU 39 CO 0.00 0.48 1.19 0.20 0.02 0.00 0.00 175.26 177.15 2p3u s GLY 40 N -0.23 2.95 0.00 -1.39 0.00 -1.26 -1.23 107.32 106.16 2p3u s GLY 40 Ca 0.16 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.90 2p3u s GLY 40 CO 0.04 1.60 0.00 1.97 0.00 0.00 0.00 173.10 176.71 2p3u n PHE 41 N 0.54 0.00 -3.43 1.90 1.16 -0.55 -4.94 117.46 112.14 2p3u n PHE 41 Ca 0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.48 2p3u n PHE 41 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 2p3u n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2p3u n GLY 43 N -0.36 2.08 3.79 0.00 0.00 0.15 -0.17 105.19 110.69 2p3u n GLY 43 Ca -0.16 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.53 2p3u n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p3u s GLY 44 N -4.65 0.33 -0.09 -0.02 0.00 -0.27 -3.51 107.32 99.12 2p3u s GLY 44 Ca 0.58 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.64 2p3u s GLY 44 CO 0.37 -0.31 -0.18 -1.59 0.00 0.00 0.00 173.10 171.39 2p3u s THR 45 N -2.87 1.58 -0.03 0.90 2.01 0.52 -1.04 115.64 116.72 2p3u s THR 45 Ca 0.16 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 2p3u s THR 45 Cb -0.05 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2p3u s THR 45 CO 0.11 0.45 1.50 -0.63 -0.69 0.00 0.00 174.62 175.36 2p3u s ILE 46 N 0.56 3.65 -0.14 1.82 1.01 0.31 -0.47 121.20 127.94 2p3u s ILE 46 Ca -0.15 0.94 0.16 0.00 0.00 0.00 0.00 60.65 61.60 2p3u s ILE 46 Cb -0.17 -3.61 -0.22 0.00 0.01 0.00 0.00 42.46 38.47 2p3u s ILE 46 CO 0.05 -0.04 0.12 0.18 0.00 0.00 0.00 174.94 175.25 2p3u n LEU 47 N 6.10 0.00 -3.91 2.97 4.77 -0.41 -1.65 117.00 124.88 2p3u n LEU 47 Ca 0.15 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 2p3u n LEU 47 Cb 0.43 0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2p3u n LEU 47 CO 0.60 0.35 0.94 -0.94 -1.33 0.00 0.00 177.39 177.00 2p3u s SER 48 N -4.92 -0.00 0.54 -1.43 1.04 -1.18 -4.72 113.70 103.03 2p3u s SER 48 Ca -0.08 -0.45 0.25 0.00 0.48 0.00 0.00 55.95 56.15 2p3u s SER 48 Cb 0.06 0.34 1.50 0.00 0.10 0.00 0.00 66.02 68.03 2p3u s SER 48 CO 0.71 -0.68 2.14 1.05 0.98 0.00 0.00 173.24 177.43 2p3u h GLU 49 N 2.00 0.00 -0.00 4.02 4.11 -1.98 -2.89 114.58 119.83 2p3u h GLU 49 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2p3u h GLU 49 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2p3u h GLU 49 CO 0.33 0.08 -0.55 1.19 0.07 0.00 0.00 179.01 180.13 2p3u n PHE 50 N -3.90 0.00 -4.75 2.06 3.72 -1.26 0.12 117.46 113.44 2p3u n PHE 50 Ca -0.02 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.13 2p3u n PHE 50 Cb 0.17 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.55 2p3u n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2p3u s TYR 51 N -2.12 1.54 -0.08 1.38 2.02 -1.09 -0.51 117.35 118.48 2p3u s TYR 51 Ca 0.06 -0.41 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 2p3u s TYR 51 Cb 0.10 -1.04 -0.01 0.00 -0.40 0.00 0.00 41.96 40.61 2p3u s TYR 51 CO 0.49 -0.13 -0.20 0.42 -1.57 0.00 0.00 175.55 174.56 2p3u s ILE 52 N -0.01 2.45 -0.05 2.71 -1.09 -0.28 -1.28 121.20 123.65 2p3u s ILE 52 Ca -0.02 -0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 57.33 2p3u s ILE 52 Cb -0.10 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.78 2p3u s ILE 52 CO 0.01 0.56 0.43 -0.22 -1.23 0.00 0.00 174.94 174.49 2p3u s LEU 53 N 0.00 4.39 0.00 2.97 2.96 0.38 -0.41 118.68 128.97 2p3u s LEU 53 Ca -0.07 0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 54.70 2p3u s LEU 53 Cb -0.15 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.93 2p3u s LEU 53 CO 0.05 0.19 0.23 1.07 -1.32 0.00 0.00 176.35 176.57 2p3u n THR 54 N 2.63 0.00 -3.46 3.68 5.66 -0.34 -0.35 114.28 122.11 2p3u n THR 54 Ca -0.11 -0.68 -0.37 0.00 -3.05 0.00 0.00 64.05 59.84 2p3u n THR 54 Cb 0.52 0.45 -0.06 0.00 -1.55 0.00 0.00 70.33 69.69 2p3u n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2p3u s ALA 55 N -1.95 3.67 0.33 1.79 0.00 -1.26 -1.13 121.76 123.21 2p3u s ALA 55 Ca 0.11 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.90 2p3u s ALA 55 Cb -0.01 -2.43 0.58 0.00 0.00 0.00 0.00 23.12 21.26 2p3u s ALA 55 CO 0.08 0.48 1.92 0.00 0.00 0.00 0.00 175.76 178.24 2p3u h ALA 56 N 4.34 1.41 0.00 0.00 0.00 -1.71 -2.57 119.26 120.73 2p3u h ALA 56 Ca -0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2p3u h ALA 56 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2p3u h ALA 56 CO 0.63 0.45 0.00 1.12 0.00 0.00 0.00 179.25 181.45 2p3u h HIS 57 N 0.71 0.00 0.00 0.00 2.07 -1.93 -1.99 115.15 114.01 2p3u h HIS 57 Ca 0.17 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.66 2p3u h HIS 57 Cb 0.14 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.12 2p3u h HIS 57 CO 0.01 0.00 -0.15 0.00 -3.07 0.00 0.00 177.93 174.72 2p3u h LEU 59 N 0.00 0.00 -1.68 0.00 3.38 -1.49 -2.37 115.31 113.15 2p3u h LEU 59 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2p3u h LEU 59 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2p3u h LEU 59 CO 0.02 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.33 2p3u n TYR 60 N -2.39 0.20 0.42 1.13 4.02 -1.10 -4.24 117.16 115.19 2p3u n TYR 60 Ca 0.02 -0.10 0.08 0.00 -0.01 0.00 0.00 57.90 57.90 2p3u n TYR 60 Cb 0.28 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.71 2p3u n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2p3u n GLN 61 N 0.94 1.68 -3.65 -0.72 6.02 -0.89 -4.94 117.38 115.82 2p3u n GLN 61 Ca 0.17 -1.70 -0.14 0.00 -0.01 0.00 0.00 57.00 55.32 2p3u n GLN 61 Cb 0.49 -1.33 -0.08 0.00 1.02 0.00 0.00 30.24 30.34 2p3u n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2p3u s ALA 61 N -1.25 -1.55 0.00 -1.58 0.00 -1.26 -5.07 121.76 111.04 2p3u s ALA 61 Ca 0.23 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.87 2p3u s ALA 61 Cb 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.38 2p3u s ALA 61 CO 0.21 -0.30 0.58 1.63 0.00 0.00 0.00 175.76 177.88 2p3u n LYS 62 N 2.50 0.00 -5.00 0.00 5.02 -1.26 -4.79 118.16 114.63 2p3u n LYS 62 Ca -0.15 0.47 -0.32 0.00 -2.02 0.00 0.00 58.31 56.29 2p3u n LYS 62 Cb 0.56 -1.27 -0.15 0.00 -0.02 0.00 0.00 35.03 34.15 2p3u n LYS 62 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2p3u s ARG 63 N -2.10 2.78 0.12 1.97 3.52 -1.26 -5.11 118.95 118.86 2p3u s ARG 63 Ca 0.00 -0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2p3u s ARG 63 Cb 0.00 -2.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 2p3u s ARG 63 CO 0.00 0.42 0.12 -0.59 -0.81 0.00 0.00 175.30 174.44 2p3u s PHE 64 N -0.21 0.56 0.44 5.12 -0.12 -1.26 -3.69 117.98 118.82 2p3u s PHE 64 Ca -0.01 -0.97 0.03 0.00 -0.05 0.00 0.00 56.93 55.93 2p3u s PHE 64 Cb -0.13 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.95 2p3u s PHE 64 CO 0.03 -0.55 0.07 0.15 -0.05 0.00 0.00 175.22 174.87 2p3u s LYS 65 N -3.97 2.01 -0.12 1.99 1.02 -0.42 -4.52 119.74 115.73 2p3u s LYS 65 Ca 0.16 -2.24 0.03 0.00 0.02 0.00 0.00 55.97 53.94 2p3u s LYS 65 Cb 0.06 -1.01 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 2p3u s LYS 65 CO -0.03 -0.40 -0.21 0.08 -0.92 0.00 0.00 175.35 173.87 2p3u s VAL 66 N -3.07 1.94 -0.10 3.17 1.01 -0.09 -1.19 120.40 122.07 2p3u s VAL 66 Ca 0.19 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2p3u s VAL 66 Cb 0.03 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2p3u s VAL 66 CO 0.11 0.53 -0.04 -0.60 0.00 0.00 0.00 175.10 175.10 2p3u s ARG 67 N 0.69 3.11 0.23 2.72 3.52 0.28 0.10 118.95 129.59 2p3u s ARG 67 Ca -0.11 -0.50 0.06 0.00 -0.13 0.00 0.00 55.73 55.05 2p3u s ARG 67 Cb -0.16 -2.75 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 2p3u s ARG 67 CO 0.02 0.54 -0.07 0.14 -0.81 0.00 0.00 175.30 175.12 2p3u s VAL 68 N -0.47 1.40 -0.55 7.11 -7.23 -0.13 -0.77 120.40 119.76 2p3u s VAL 68 Ca 0.07 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2p3u s VAL 68 Cb -0.12 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2p3u s VAL 68 CO 0.02 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 2p3u n GLY 69 N -0.42 0.45 3.31 2.32 0.00 -1.24 -1.10 105.19 108.50 2p3u n GLY 69 Ca -0.07 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 2p3u n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p3u s ASP 70 N -2.83 3.36 0.00 1.61 3.68 -1.26 -2.88 116.67 118.34 2p3u s ASP 70 Ca 0.00 -0.45 0.00 0.00 2.13 0.00 0.00 52.55 54.23 2p3u s ASP 70 Cb 0.00 -1.04 0.00 0.00 -1.45 0.00 0.00 42.92 40.43 2p3u s ASP 70 CO 0.00 0.23 0.00 0.54 0.13 0.00 0.00 175.17 176.07 2p3u n ARG 71 N 3.03 1.26 -3.58 4.34 1.74 -1.26 -4.84 116.66 117.34 2p3u n ARG 71 Ca -0.18 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.67 2p3u n ARG 71 Cb 0.52 -0.89 -0.16 0.00 -1.02 0.00 0.00 32.46 30.91 2p3u n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2p3u s ASN 72 N -1.66 1.96 0.10 0.55 2.47 -1.26 -0.72 114.94 116.39 2p3u s ASN 72 Ca 0.00 -0.44 0.22 0.00 0.42 0.00 0.00 52.86 53.06 2p3u s ASN 72 Cb 0.00 -0.05 0.88 0.00 -1.45 0.00 0.00 41.25 40.64 2p3u s ASN 72 CO 0.00 -0.34 1.68 0.35 -3.72 0.00 0.00 177.10 175.08 2p3u n THR 73 N 5.29 0.67 1.13 -5.21 -2.24 -0.25 -2.65 114.28 111.03 2p3u n THR 73 Ca -0.06 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 2p3u n THR 73 Cb 0.49 -0.87 0.23 0.00 -2.10 0.00 0.00 70.33 68.08 2p3u n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2p3u n GLU 74 N -1.82 0.75 -3.82 -0.78 1.02 -1.26 -4.91 120.64 109.81 2p3u n GLU 74 Ca 0.04 -0.51 -0.13 0.00 -0.02 0.00 0.00 57.16 56.54 2p3u n GLU 74 Cb 0.27 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2p3u n GLU 74 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2p3u s GLN 75 N -2.60 0.07 -0.29 3.49 0.74 -1.08 -5.12 119.66 114.86 2p3u s GLN 75 Ca 0.20 0.15 -0.28 0.00 0.05 0.00 0.00 55.36 55.48 2p3u s GLN 75 Cb 0.18 -0.03 0.01 0.00 1.10 0.00 0.00 33.01 34.28 2p3u s GLN 75 CO 0.58 -0.05 1.02 -1.21 -0.55 0.00 0.00 175.29 175.09 2p3u s GLU 76 N 0.33 4.11 -0.02 1.67 8.01 -1.26 -4.69 118.70 126.85 2p3u s GLU 76 Ca -0.02 1.09 0.22 0.00 0.01 0.00 0.00 54.97 56.26 2p3u s GLU 76 Cb -0.04 -3.71 -0.31 0.00 -4.31 0.00 0.00 34.13 25.77 2p3u s GLU 76 CO -0.01 -0.79 0.59 0.39 0.01 0.00 0.00 175.26 175.45 2p3u n GLU 77 N 6.62 0.48 0.00 1.61 1.02 -1.26 -4.98 120.64 124.13 2p3u n GLU 77 Ca 0.11 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2p3u n GLU 77 Cb 0.47 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2p3u n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2p3u n GLY 78 N 1.33 0.56 0.17 0.62 0.00 -1.26 -4.93 105.19 101.67 2p3u n GLY 78 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2p3u n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3u n GLY 79 N -1.33 -0.09 3.77 -0.02 0.00 -1.26 -5.03 105.19 101.23 2p3u n GLY 79 Ca 0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2p3u n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p3u s GLU 80 N -1.43 4.29 -0.09 1.61 8.01 -1.14 -4.41 118.70 125.54 2p3u s GLU 80 Ca 0.07 2.26 -0.04 0.00 0.01 0.00 0.00 54.97 57.27 2p3u s GLU 80 Cb 0.07 -3.03 0.04 0.00 -4.31 0.00 0.00 34.13 26.91 2p3u s GLU 80 CO 0.27 -0.26 0.21 0.00 0.01 0.00 0.00 175.26 175.49 2p3u s ALA 81 N -1.15 -0.44 -0.16 5.21 0.00 -0.26 -4.99 121.76 119.98 2p3u s ALA 81 Ca 0.50 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 2p3u s ALA 81 Cb -0.41 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2p3u s ALA 81 CO 0.54 -0.22 0.13 0.08 0.00 0.00 0.00 175.76 176.29 2p3u s VAL 82 N 1.33 5.44 -0.03 0.00 1.01 -1.26 -0.95 120.40 125.93 2p3u s VAL 82 Ca -0.08 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2p3u s VAL 82 Cb -0.11 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2p3u s VAL 82 CO -0.08 0.53 -0.18 -1.00 0.00 0.00 0.00 175.10 174.38 2p3u s HIS 83 N -0.37 1.75 0.38 5.22 3.76 0.11 -4.97 115.29 121.18 2p3u s HIS 83 Ca 0.12 -0.43 -0.18 0.00 -0.15 0.00 0.00 55.06 54.41 2p3u s HIS 83 Cb -0.12 -1.16 -0.10 0.00 1.11 0.00 0.00 32.58 32.32 2p3u s HIS 83 CO 0.01 -0.11 0.85 -1.21 -0.85 0.00 0.00 174.74 173.43 2p3u s GLU 84 N -0.18 4.10 -0.15 1.40 2.02 -1.26 -0.92 118.70 123.71 2p3u s GLU 84 Ca 0.01 0.89 -0.18 0.00 0.02 0.00 0.00 54.97 55.71 2p3u s GLU 84 Cb -0.10 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 2p3u s GLU 84 CO 0.01 0.05 0.47 0.08 0.02 0.00 0.00 175.26 175.88 2p3u s VAL 85 N -2.11 5.18 -0.15 2.63 1.01 -1.26 -0.76 120.40 124.93 2p3u s VAL 85 Ca 0.58 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 63.32 2p3u s VAL 85 Cb -0.10 -3.80 -0.24 0.00 0.00 0.00 0.00 36.38 32.25 2p3u s VAL 85 CO 0.16 0.28 0.34 -0.08 0.00 0.00 0.00 175.10 175.81 2p3u h GLU 86 N 6.99 0.16 -3.71 2.72 4.81 -0.61 -3.44 114.58 121.51 2p3u h GLU 86 Ca -0.38 -0.28 -0.27 0.00 -0.13 0.00 0.00 59.36 58.29 2p3u h GLU 86 Cb 1.17 0.10 -0.31 0.00 0.63 0.00 0.00 28.75 30.35 2p3u h GLU 86 CO 0.75 1.13 -0.73 0.08 -0.73 0.00 0.00 179.01 179.51 2p3u s VAL 87 N -2.47 0.03 -0.22 0.32 1.01 -0.97 -5.00 120.40 113.10 2p3u s VAL 87 Ca -0.24 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 2p3u s VAL 87 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.31 2p3u s VAL 87 CO 0.70 0.05 0.10 -0.69 0.00 0.00 0.00 175.10 175.27 2p3u s VAL 88 N 0.45 4.89 -0.47 2.92 1.01 -1.26 -1.28 120.40 126.67 2p3u s VAL 88 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2p3u s VAL 88 Cb -0.06 -3.26 0.12 0.00 0.00 0.00 0.00 36.38 33.19 2p3u s VAL 88 CO -0.01 0.38 0.24 -0.63 0.00 0.00 0.00 175.10 175.08 2p3u s ILE 89 N 0.94 2.99 -0.03 2.22 1.01 0.38 -5.01 121.20 123.70 2p3u s ILE 89 Ca 0.05 -2.63 -0.09 0.00 0.00 0.00 0.00 60.65 57.98 2p3u s ILE 89 Cb -0.14 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2p3u s ILE 89 CO 0.03 -0.74 0.27 -0.75 0.00 0.00 0.00 174.94 173.75 2p3u s LYS 90 N 0.47 3.64 0.19 2.79 2.20 -1.26 -0.35 119.74 127.41 2p3u s LYS 90 Ca 0.13 0.05 -0.31 0.00 -0.36 0.00 0.00 55.97 55.48 2p3u s LYS 90 Cb -0.22 -3.15 -0.11 0.00 -1.51 0.00 0.00 37.83 32.85 2p3u s LYS 90 CO -0.04 0.70 1.59 -1.58 -0.36 0.00 0.00 175.35 175.66 2p3u s HIS 91 N -1.15 3.00 -0.61 4.03 5.65 -0.85 -4.85 115.29 120.51 2p3u s HIS 91 Ca 0.23 0.62 0.21 0.00 0.25 0.00 0.00 55.06 56.37 2p3u s HIS 91 Cb -0.14 -3.97 0.89 0.00 -1.18 0.00 0.00 32.58 28.18 2p3u s HIS 91 CO 0.11 -3.54 1.65 0.27 -0.65 0.00 0.00 174.74 172.58 2p3u n ASN 92 N 3.63 0.50 -0.90 9.88 6.94 -1.26 -2.34 115.26 131.71 2p3u n ASN 92 Ca 0.13 0.62 0.12 0.00 -0.02 0.00 0.00 54.58 55.44 2p3u n ASN 92 Cb 0.38 -0.73 0.22 0.00 -2.36 0.00 0.00 39.78 37.29 2p3u n ASN 92 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2p3u n ARG 93 N -2.06 2.22 -2.27 -3.83 1.74 -1.26 -4.94 116.66 106.27 2p3u n ARG 93 Ca 0.02 -1.80 -0.42 0.00 -0.77 0.00 0.00 57.85 54.88 2p3u n ARG 93 Cb 0.21 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 2p3u n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2p3u s PHE 94 N -1.85 3.32 0.02 -1.55 5.36 -0.99 -4.71 117.98 117.58 2p3u s PHE 94 Ca 0.33 1.19 0.03 0.00 -0.96 0.00 0.00 56.93 57.51 2p3u s PHE 94 Cb 0.21 -3.56 -0.01 0.00 -0.34 0.00 0.00 43.02 39.31 2p3u s PHE 94 CO 0.31 -1.81 -0.09 0.95 -1.46 0.00 0.00 175.22 173.12 2p3u s THR 95 N 0.58 0.68 -0.35 0.12 -4.23 -1.25 -5.04 115.64 106.16 2p3u s THR 95 Ca 0.59 -0.67 0.26 0.00 -1.18 0.00 0.00 61.69 60.69 2p3u s THR 95 Cb -0.35 -0.63 0.29 0.00 1.34 0.00 0.00 72.50 73.15 2p3u s THR 95 CO 0.34 -0.02 1.78 0.07 -0.54 0.00 0.00 174.62 176.25 2p3u h LYS 96 N 5.34 0.00 0.00 3.99 2.10 -1.96 0.40 116.57 126.43 2p3u h LYS 96 Ca -0.33 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.26 2p3u h LYS 96 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2p3u h LYS 96 CO 0.46 0.00 -0.28 0.93 -2.00 0.00 0.00 179.45 178.56 2p3u h GLU 97 N 0.00 0.00 0.00 0.07 5.08 -1.99 -3.35 114.58 114.39 2p3u h GLU 97 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2p3u h GLU 97 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2p3u h GLU 97 CO 0.00 0.28 -0.95 0.25 -1.00 0.00 0.00 179.01 177.59 2p3u n THR 98 N -3.17 0.00 -1.36 1.13 -2.24 -1.14 -5.00 114.28 102.50 2p3u n THR 98 Ca 0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 2p3u n THR 98 Cb 0.64 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 2p3u n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2p3u n TYR 99 N -1.67 0.00 -2.04 4.78 4.02 0.12 -4.97 117.16 117.39 2p3u n TYR 99 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 2p3u n TYR 99 Cb 0.24 -2.62 0.02 0.00 -0.02 0.00 0.00 39.34 36.96 2p3u n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2p3u s ASP 100 N -2.57 5.41 -1.39 7.72 2.15 -1.26 -3.57 116.67 123.16 2p3u s ASP 100 Ca 0.00 2.16 -0.08 0.00 0.43 0.00 0.00 52.55 55.07 2p3u s ASP 100 Cb 0.00 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.08 2p3u s ASP 100 CO 0.00 -1.43 0.98 0.49 -0.17 0.00 0.00 175.17 175.04 2p3u n PHE 101 N -1.72 -2.37 -2.41 -5.34 3.72 -1.26 -3.75 117.46 104.32 2p3u n PHE 101 Ca 0.12 0.93 -0.43 0.00 -0.05 0.00 0.00 57.45 58.02 2p3u n PHE 101 Cb 0.51 -4.52 0.00 0.00 -0.94 0.00 0.00 39.48 34.53 2p3u n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2p3u n ASP 102 N -2.97 4.73 -3.72 4.37 2.03 -1.23 -4.27 116.55 115.48 2p3u n ASP 102 Ca -0.09 -2.92 -0.13 0.00 0.52 0.00 0.00 54.79 52.18 2p3u n ASP 102 Cb 0.59 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.20 2p3u n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2p3u s ILE 103 N 3.47 -0.00 0.03 5.18 2.07 -1.26 -3.93 121.20 126.76 2p3u s ILE 103 Ca 0.50 0.01 -0.09 0.00 -1.41 0.00 0.00 60.65 59.66 2p3u s ILE 103 Cb 0.06 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 42.02 2p3u s ILE 103 CO 0.03 0.00 0.19 0.00 -1.91 0.00 0.00 174.94 173.25 2p3u s ALA 104 N 0.32 -0.37 -0.02 1.50 0.00 -0.29 -2.00 121.76 120.92 2p3u s ALA 104 Ca -0.01 -0.24 0.07 0.00 0.00 0.00 0.00 51.96 51.79 2p3u s ALA 104 Cb -0.03 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2p3u s ALA 104 CO -0.00 -0.33 -0.24 0.08 0.00 0.00 0.00 175.76 175.27 2p3u s VAL 105 N -2.33 2.26 -0.12 0.00 1.01 0.52 -1.19 120.40 120.54 2p3u s VAL 105 Ca -0.07 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.82 2p3u s VAL 105 Cb -0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2p3u s VAL 105 CO -0.03 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.75 2p3u s LEU 106 N -0.73 2.86 -0.16 3.92 1.43 0.45 -0.47 118.68 125.98 2p3u s LEU 106 Ca 0.11 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 2p3u s LEU 106 Cb -0.10 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 2p3u s LEU 106 CO -0.00 0.19 0.20 -0.60 0.23 0.00 0.00 176.35 176.37 2p3u s ARG 107 N 0.19 4.08 0.28 1.70 3.52 -0.40 -1.12 118.95 127.20 2p3u s ARG 107 Ca -0.06 -0.06 -0.10 0.00 -0.13 0.00 0.00 55.73 55.38 2p3u s ARG 107 Cb -0.15 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 2p3u s ARG 107 CO 0.04 0.37 0.61 -0.51 -0.81 0.00 0.00 175.30 175.01 2p3u s LEU 108 N 0.10 4.08 0.22 -0.88 1.43 0.33 0.07 118.68 124.04 2p3u s LEU 108 Ca 0.13 0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2p3u s LEU 108 Cb -0.12 -3.77 0.21 0.00 0.03 0.00 0.00 46.19 42.53 2p3u s LEU 108 CO 0.02 -0.16 1.66 0.11 0.23 0.00 0.00 176.35 178.21 2p3u h LYS 109 N 2.17 0.82 -6.21 1.70 1.57 -1.24 -3.42 116.57 111.95 2p3u h LYS 109 Ca -0.47 -0.29 -0.58 0.00 -1.87 0.00 0.00 60.65 57.44 2p3u h LYS 109 Cb 1.18 -0.06 -0.23 0.00 0.08 0.00 0.00 32.23 33.20 2p3u h LYS 109 CO 0.67 0.91 -0.83 0.95 -0.57 0.00 0.00 179.45 180.58 2p3u s THR 110 N -4.74 1.75 0.42 -0.16 -4.23 -1.26 -5.02 115.64 102.40 2p3u s THR 110 Ca -0.10 -1.47 -0.24 0.00 -1.18 0.00 0.00 61.69 58.71 2p3u s THR 110 Cb 0.13 -1.57 -0.08 0.00 1.34 0.00 0.00 72.50 72.32 2p3u s THR 110 CO 0.83 0.03 1.13 -2.16 -0.54 0.00 0.00 174.62 173.91 2p3u s PRO 111 N -1.72 3.98 0.08 3.99 0.04 -1.26 -4.87 135.00 135.24 2p3u s PRO 111 Ca 0.07 1.71 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 2p3u s PRO 111 Cb -0.10 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 2p3u s PRO 111 CO 0.04 -0.35 1.22 0.42 0.04 0.00 0.00 177.00 178.37 2p3u s ILE 112 N -1.54 3.89 -0.48 0.56 1.01 0.12 -4.99 121.20 119.77 2p3u s ILE 112 Ca 0.60 1.38 -0.20 0.00 0.00 0.00 0.00 60.65 62.42 2p3u s ILE 112 Cb -0.27 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.36 2p3u s ILE 112 CO 0.34 0.12 0.65 -0.89 0.00 0.00 0.00 174.94 175.16 2p3u s THR 113 N 0.96 4.82 0.56 2.92 2.01 -1.26 -4.73 115.64 120.93 2p3u s THR 113 Ca 0.59 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 2p3u s THR 113 Cb -0.31 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2p3u s THR 113 CO 0.30 -0.74 1.23 -0.36 -0.69 0.00 0.00 174.62 174.36 2p3u s PHE 114 N 2.80 2.45 0.01 4.92 0.08 -1.26 -4.94 117.98 122.03 2p3u s PHE 114 Ca 0.19 1.49 -0.05 0.00 0.12 0.00 0.00 56.93 58.67 2p3u s PHE 114 Cb -0.17 -3.53 0.02 0.00 -0.57 0.00 0.00 43.02 38.77 2p3u s PHE 114 CO 0.15 -2.24 0.25 2.89 -0.10 0.00 0.00 175.22 176.17 2p3u n ARG 115 N -1.29 0.07 -1.65 0.44 1.85 -0.48 -5.00 116.66 110.61 2p3u n ARG 115 Ca 0.12 -0.22 -0.49 0.00 -1.00 0.00 0.00 57.85 56.26 2p3u n ARG 115 Cb 0.48 0.33 -0.05 0.00 -1.05 0.00 0.00 32.46 32.17 2p3u n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 2p3u n MET 116 N -0.18 1.74 -0.99 2.89 0.00 -1.26 -0.99 117.12 118.33 2p3u n MET 116 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.70 58.33 2p3u n MET 116 Cb 0.12 -2.35 0.00 0.00 0.00 0.00 0.00 33.22 30.99 2p3u n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2p3u n ASN 117 N 3.54 -4.04 -3.59 6.12 3.02 -1.26 -4.88 115.26 114.17 2p3u n ASN 117 Ca 0.19 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.45 2p3u n ASN 117 Cb 0.24 -1.78 -0.15 0.00 -0.61 0.00 0.00 39.78 37.48 2p3u n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2p3u s VAL 118 N -1.63 0.13 -0.01 2.41 1.01 -0.16 -3.65 120.40 118.51 2p3u s VAL 118 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 2p3u s VAL 118 Cb 0.00 -1.09 0.06 0.00 0.00 0.00 0.00 36.38 35.36 2p3u s VAL 118 CO 0.00 -0.67 0.61 0.00 0.00 0.00 0.00 175.10 175.04 2p3u s ALA 119 N 2.00 -1.57 0.49 5.51 0.00 -0.56 -1.38 121.76 126.26 2p3u s ALA 119 Ca 0.08 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.86 2p3u s ALA 119 Cb -0.16 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.04 2p3u s ALA 119 CO -0.32 -0.43 0.99 -1.25 0.00 0.00 0.00 175.76 174.76 2p3u s PRO 120 N -1.70 3.93 0.35 0.00 0.04 -1.26 -2.47 135.00 133.89 2p3u s PRO 120 Ca -0.09 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 2p3u s PRO 120 Cb -0.01 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2p3u s PRO 120 CO 0.05 -0.29 0.73 0.00 0.04 0.00 0.00 177.00 177.52 2p3u s ALA 121 N -2.32 3.37 0.18 8.56 0.00 -0.66 -4.86 121.76 126.02 2p3u s ALA 121 Ca 0.62 -0.14 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 2p3u s ALA 121 Cb -0.12 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 2p3u s ALA 121 CO 0.24 0.17 0.86 0.00 0.00 0.00 0.00 175.76 177.03 2p3u s LEU 123 N -0.97 4.26 0.78 0.00 1.43 -1.26 -0.45 118.68 122.47 2p3u s LEU 123 Ca 0.39 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.62 2p3u s LEU 123 Cb -0.24 -3.19 0.09 0.00 0.03 0.00 0.00 46.19 42.87 2p3u s LEU 123 CO 0.29 -0.25 1.12 -2.16 0.23 0.00 0.00 176.35 175.58 2p3u s PRO 124 N 1.38 1.86 0.32 1.29 0.04 -1.26 -4.98 135.00 133.65 2p3u s PRO 124 Ca 0.39 -0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.11 2p3u s PRO 124 Cb -0.18 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2p3u s PRO 124 CO 0.17 -1.55 0.73 -1.21 0.04 0.00 0.00 177.00 175.18 2p3u s GLU 124 N -5.46 4.01 0.06 4.56 2.02 -1.26 -4.99 118.70 117.64 2p3u s GLU 124 Ca 0.63 0.67 -0.31 0.00 0.02 0.00 0.00 54.97 55.98 2p3u s GLU 124 Cb -0.10 -2.46 -0.18 0.00 0.10 0.00 0.00 34.13 31.50 2p3u s GLU 124 CO 0.48 0.17 1.55 -0.09 0.02 0.00 0.00 175.26 177.38 2p3u h ARG 125 N 2.31 -0.75 -0.56 1.61 2.43 -1.98 -0.85 114.38 116.59 2p3u h ARG 125 Ca -0.48 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.72 2p3u h ARG 125 Cb 1.18 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 2p3u h ARG 125 CO 0.65 -0.47 0.26 -0.44 -1.51 0.00 0.00 179.97 178.47 2p3u h ASP 126 N -0.84 0.73 -0.56 -3.80 3.45 -1.95 -1.05 116.42 112.39 2p3u h ASP 126 Ca -0.08 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.17 2p3u h ASP 126 Cb 0.62 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.18 2p3u h ASP 126 CO 0.13 0.66 0.04 -0.25 -1.57 0.00 0.00 179.24 178.25 2p3u h TRP 127 N 0.75 1.04 -0.53 4.55 7.01 -1.98 -1.45 115.95 125.35 2p3u h TRP 127 Ca 0.19 -0.17 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2p3u h TRP 127 Cb 0.13 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 2p3u h TRP 127 CO -0.00 0.93 0.16 0.00 -2.79 0.00 0.00 178.44 176.74 2p3u h ALA 128 N 0.98 0.70 -0.17 2.65 0.00 -0.67 0.17 119.26 122.92 2p3u h ALA 128 Ca 0.16 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 2p3u h ALA 128 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2p3u h ALA 128 CO 0.02 0.36 -0.58 0.93 0.00 0.00 0.00 179.25 179.98 2p3u h GLU 129 N 0.73 0.53 -0.06 0.00 5.08 -1.12 0.10 114.58 119.84 2p3u h GLU 129 Ca 0.17 -0.35 -0.21 0.00 -1.00 0.00 0.00 59.36 57.97 2p3u h GLU 129 Cb 0.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2p3u h GLU 129 CO -0.01 0.96 -0.83 0.77 -1.00 0.00 0.00 179.01 178.90 2p3u h SER 130 N 0.40 0.63 0.00 1.42 0.02 -1.09 -3.37 113.55 111.56 2p3u h SER 130 Ca 0.00 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.46 2p3u h SER 130 Cb 1.12 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 2p3u h SER 130 CO 0.11 1.22 -1.17 0.41 -1.14 0.00 0.00 176.83 176.26 2p3u n THR 131 N -3.83 0.17 0.00 -2.27 -1.04 0.58 -4.44 114.28 103.45 2p3u n THR 131 Ca -0.06 -0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.68 2p3u n THR 131 Cb 0.77 -0.64 -0.14 0.00 -1.82 0.00 0.00 70.33 68.50 2p3u n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2p3u h LEU 131 N 0.00 0.33 -0.10 -4.42 3.38 -1.05 -3.30 115.31 110.14 2p3u h LEU 131 Ca -0.06 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.02 2p3u h LEU 131 Cb 1.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2p3u h LEU 131 CO -0.01 1.44 -0.00 0.23 0.09 0.00 0.00 178.44 180.19 2p3u n MET 131 N -4.14 0.99 -0.07 1.13 2.81 0.17 -1.92 117.12 116.09 2p3u n MET 131 Ca -0.19 -0.10 0.09 0.00 -1.81 0.00 0.00 57.70 55.68 2p3u n MET 131 Cb 0.80 -1.50 0.12 0.00 -0.71 0.00 0.00 33.22 31.93 2p3u n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2p3u n THR 132 N -0.91 0.25 -1.05 2.03 -2.24 -1.26 -4.96 114.28 106.15 2p3u n THR 132 Ca 0.22 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 2p3u n THR 132 Cb 0.15 1.16 0.16 0.00 -2.10 0.00 0.00 70.33 69.70 2p3u n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2p3u s GLN 133 N -1.39 0.95 0.14 -0.78 -1.52 -0.81 -4.96 119.66 111.30 2p3u s GLN 133 Ca 0.26 0.93 -0.13 0.00 -1.95 0.00 0.00 55.36 54.47 2p3u s GLN 133 Cb 0.16 -1.76 0.01 0.00 -0.22 0.00 0.00 33.01 31.20 2p3u s GLN 133 CO 0.24 -2.48 1.60 0.87 -0.25 0.00 0.00 175.29 175.26 2p3u h LYS 134 N -1.73 0.83 -4.20 2.91 1.57 -1.93 -3.42 116.57 110.59 2p3u h LYS 134 Ca -0.50 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 57.89 2p3u h LYS 134 Cb 1.29 -0.08 -0.16 0.00 0.08 0.00 0.00 32.23 33.37 2p3u h LYS 134 CO 0.52 0.88 -0.67 0.95 -0.57 0.00 0.00 179.45 180.56 2p3u s THR 135 N -5.02 0.21 0.36 -0.16 -4.23 -1.26 -1.85 115.64 103.68 2p3u s THR 135 Ca -0.12 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2p3u s THR 135 Cb 0.11 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.55 2p3u s THR 135 CO 0.81 -0.95 0.02 0.61 -0.54 0.00 0.00 174.62 174.58 2p3u n GLY 136 N 0.24 3.68 3.08 3.99 0.00 -0.25 -4.72 105.19 111.21 2p3u n GLY 136 Ca -0.15 -2.28 -0.29 0.00 0.00 0.00 0.00 46.02 43.31 2p3u n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p3u s ILE 137 N -2.40 1.57 0.10 -0.61 1.01 0.17 -0.72 121.20 120.31 2p3u s ILE 137 Ca 0.03 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.04 2p3u s ILE 137 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2p3u s ILE 137 CO 0.02 0.45 -0.04 0.54 0.00 0.00 0.00 174.94 175.92 2p3u s VAL 138 N 0.86 3.77 0.07 2.92 0.11 -0.31 -0.73 120.40 127.09 2p3u s VAL 138 Ca -0.09 -1.10 -0.10 0.00 -2.93 0.00 0.00 61.98 57.76 2p3u s VAL 138 Cb -0.15 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 2p3u s VAL 138 CO 0.00 0.12 0.22 -0.94 -3.33 0.00 0.00 175.10 171.17 2p3u s SER 139 N -2.27 0.05 0.00 3.54 1.04 -1.14 -0.22 113.70 114.70 2p3u s SER 139 Ca 0.24 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2p3u s SER 139 Cb -0.11 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2p3u s SER 139 CO 0.17 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2p3u n GLY 140 N 0.17 -0.11 1.47 7.32 0.00 -0.24 -4.29 105.19 109.52 2p3u n GLY 140 Ca -0.16 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.77 2p3u n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2p3u n PHE 141 N -0.73 1.50 -1.30 1.61 3.01 -1.26 -1.57 117.46 118.71 2p3u n PHE 141 Ca 0.00 -0.70 -0.28 0.00 1.01 0.00 0.00 57.45 57.48 2p3u n PHE 141 Cb 0.00 -0.33 0.22 0.00 -0.01 0.00 0.00 39.48 39.36 2p3u n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2p3u n GLY 142 N 0.56 -2.34 3.62 1.37 0.00 -1.26 -1.38 105.19 105.77 2p3u n GLY 142 Ca 0.25 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 2p3u n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p3u n ARG 143 N -4.34 1.35 0.00 1.61 1.74 -0.29 -2.49 116.66 114.24 2p3u n ARG 143 Ca 0.15 0.49 0.12 0.00 -0.77 0.00 0.00 57.85 57.84 2p3u n ARG 143 Cb 0.55 -2.12 0.26 0.00 -1.02 0.00 0.00 32.46 30.14 2p3u n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2p3u n THR 144 N -0.69 0.00 -3.66 0.55 -2.24 -1.22 -0.64 114.28 106.37 2p3u n THR 144 Ca 0.10 -0.17 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2p3u n THR 144 Cb 0.41 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 2p3u n THR 144 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2p3u s HIS 145 N -2.50 -0.29 0.34 4.78 0.00 -1.26 -4.24 115.29 112.12 2p3u s HIS 145 Ca 0.23 -0.04 0.08 0.00 -3.00 0.00 0.00 55.06 52.32 2p3u s HIS 145 Cb 0.19 0.55 0.80 0.00 -4.00 0.00 0.00 32.58 30.12 2p3u s HIS 145 CO 0.54 -1.00 1.83 1.49 -1.00 0.00 0.00 174.74 176.60 2p3u h GLU 146 N 2.07 0.70 -0.15 -0.38 4.81 -1.90 0.22 114.58 119.94 2p3u h GLU 146 Ca -0.28 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2p3u h GLU 146 Cb 1.28 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2p3u h GLU 146 CO 0.33 0.46 0.00 1.63 -0.73 0.00 0.00 179.01 180.70 2p3u n LYS 147 N -4.63 2.39 -1.57 1.92 4.76 -1.26 -4.95 118.16 114.82 2p3u n LYS 147 Ca 0.20 -2.05 -0.14 0.00 -2.87 0.00 0.00 58.31 53.45 2p3u n LYS 147 Cb 0.54 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 32.33 2p3u n LYS 147 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2p3u n GLY 149 N 1.41 0.18 3.96 0.72 0.00 0.06 -5.10 105.19 106.42 2p3u n GLY 149 Ca 0.16 -1.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 2p3u n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2p3u s ARG 150 N -4.13 2.70 0.57 1.61 3.52 -1.26 -4.83 118.95 117.14 2p3u s ARG 150 Ca 0.39 -0.57 -0.20 0.00 -0.13 0.00 0.00 55.73 55.23 2p3u s ARG 150 Cb -0.02 -2.46 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 2p3u s ARG 150 CO 0.26 -0.63 1.23 -0.65 -0.81 0.00 0.00 175.30 174.71 2p3u s GLN 151 N -4.77 3.06 0.22 5.12 -1.52 -1.26 -3.46 119.66 117.06 2p3u s GLN 151 Ca 0.54 1.90 -0.30 0.00 -1.95 0.00 0.00 55.36 55.55 2p3u s GLN 151 Cb -0.10 -2.03 -0.09 0.00 -0.22 0.00 0.00 33.01 30.57 2p3u s GLN 151 CO 0.39 -1.15 0.98 0.45 -0.25 0.00 0.00 175.29 175.72 2p3u s SER 152 N -1.46 7.53 0.00 5.90 0.15 -0.48 -4.89 113.70 120.46 2p3u s SER 152 Ca 0.75 2.00 0.27 0.00 0.70 0.00 0.00 55.95 59.67 2p3u s SER 152 Cb -0.32 -2.61 0.95 0.00 -1.71 0.00 0.00 66.02 62.33 2p3u s SER 152 CO 0.36 0.05 1.72 0.35 1.20 0.00 0.00 173.24 176.91 2p3u n THR 153 N 1.68 0.00 -4.79 6.45 -2.24 -1.26 -4.74 114.28 109.38 2p3u n THR 153 Ca -0.01 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 2p3u n THR 153 Cb 0.47 -0.14 -0.13 0.00 -2.10 0.00 0.00 70.33 68.43 2p3u n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2p3u s ARG 154 N -2.91 2.83 0.07 -0.78 1.81 -1.26 -1.09 118.95 117.62 2p3u s ARG 154 Ca 0.15 -0.66 -0.31 0.00 -1.72 0.00 0.00 55.73 53.20 2p3u s ARG 154 Cb 0.19 -2.51 -0.07 0.00 -0.45 0.00 0.00 34.95 32.11 2p3u s ARG 154 CO 0.59 0.51 1.42 -1.17 -0.68 0.00 0.00 175.30 175.97 2p3u s LEU 155 N -0.42 4.35 0.23 2.53 2.96 0.10 -4.67 118.68 123.76 2p3u s LEU 155 Ca 0.05 2.27 0.11 0.00 -0.22 0.00 0.00 54.13 56.34 2p3u s LEU 155 Cb -0.12 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 2p3u s LEU 155 CO 0.02 -0.70 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.62 2p3u s LYS 156 N 1.76 1.72 0.13 1.98 1.02 -0.61 -1.13 119.74 124.61 2p3u s LYS 156 Ca 0.65 -1.57 0.06 0.00 0.02 0.00 0.00 55.97 55.13 2p3u s LYS 156 Cb -0.35 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2p3u s LYS 156 CO 0.29 0.38 -0.15 0.00 -0.92 0.00 0.00 175.35 174.95 2p3u s MET 157 N -3.09 1.07 -0.11 1.68 0.23 0.66 -1.07 119.30 118.67 2p3u s MET 157 Ca 0.26 -1.26 -0.05 0.00 -1.03 0.00 0.00 55.69 53.60 2p3u s MET 157 Cb -0.07 -1.00 0.05 0.00 -1.53 0.00 0.00 34.83 32.28 2p3u s MET 157 CO 0.13 0.20 0.25 -1.17 -2.03 0.00 0.00 175.02 172.40 2p3u s LEU 158 N -2.46 0.42 -0.14 0.18 2.96 0.70 -1.37 118.68 118.97 2p3u s LEU 158 Ca 0.10 0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 2p3u s LEU 158 Cb -0.05 0.75 -0.01 0.00 0.50 0.00 0.00 46.19 47.38 2p3u s LEU 158 CO 0.04 -0.16 1.08 -0.70 -1.32 0.00 0.00 176.35 175.28 2p3u s GLU 159 N 1.22 4.35 -0.13 1.98 2.12 -1.26 -1.16 118.70 125.82 2p3u s GLU 159 Ca -0.09 1.46 0.02 0.00 0.36 0.00 0.00 54.97 56.72 2p3u s GLU 159 Cb -0.10 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.71 2p3u s GLU 159 CO -0.08 -0.46 -0.18 0.14 -0.54 0.00 0.00 175.26 174.14 2p3u s VAL 160 N 2.51 1.74 0.42 3.70 -7.23 0.10 -4.97 120.40 116.66 2p3u s VAL 160 Ca 0.49 -0.77 -0.26 0.00 -1.81 0.00 0.00 61.98 59.63 2p3u s VAL 160 Cb -0.19 -1.57 -0.09 0.00 0.56 0.00 0.00 36.38 35.09 2p3u s VAL 160 CO 0.15 0.49 1.42 -2.84 -0.31 0.00 0.00 175.10 174.01 2p3u s PRO 161 N 1.05 3.89 0.29 4.82 0.02 -1.26 -1.09 135.00 142.71 2p3u s PRO 161 Ca -0.04 2.41 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 2p3u s PRO 161 Cb -0.15 -2.78 -0.10 0.00 0.02 0.00 0.00 34.50 31.49 2p3u s PRO 161 CO -0.04 -0.65 1.38 0.71 -0.33 0.00 0.00 177.00 178.06 2p3u s TYR 162 N -1.18 3.01 -0.08 6.54 2.02 -0.77 -0.64 117.35 126.25 2p3u s TYR 162 Ca 0.57 1.22 -0.00 0.00 -0.37 0.00 0.00 57.07 58.49 2p3u s TYR 162 Cb -0.43 -3.76 -0.03 0.00 -0.40 0.00 0.00 41.96 37.34 2p3u s TYR 162 CO 0.57 -2.29 -0.05 0.08 -1.57 0.00 0.00 175.55 172.29 2p3u s VAL 163 N -0.56 3.86 0.17 0.71 1.01 -0.65 -4.88 120.40 120.06 2p3u s VAL 163 Ca 0.54 -0.42 -0.33 0.00 0.00 0.00 0.00 61.98 61.77 2p3u s VAL 163 Cb -0.41 -2.60 -0.14 0.00 0.00 0.00 0.00 36.38 33.23 2p3u s VAL 163 CO 0.49 0.59 1.46 -0.67 0.00 0.00 0.00 175.10 176.97 2p3u n ASP 164 N 2.30 2.63 -0.29 3.32 2.03 -1.26 -4.61 116.55 120.66 2p3u n ASP 164 Ca -0.18 1.11 -0.04 0.00 0.52 0.00 0.00 54.79 56.20 2p3u n ASP 164 Cb 0.53 -1.37 0.10 0.00 -0.72 0.00 0.00 41.12 39.66 2p3u n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2p3u h ARG 165 N 5.01 1.18 -0.18 -0.67 2.43 -1.97 -1.25 114.38 118.93 2p3u h ARG 165 Ca -0.45 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.52 2p3u h ARG 165 Cb 1.28 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2p3u h ARG 165 CO 0.82 0.91 0.00 -0.97 -1.51 0.00 0.00 179.97 179.22 2p3u h ASN 166 N 1.17 0.32 -0.76 -3.80 -0.73 -2.00 -2.30 115.58 107.48 2p3u h ASN 166 Ca 0.28 -0.30 0.08 0.00 1.87 0.00 0.00 56.30 58.23 2p3u h ASN 166 Cb 0.11 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.57 2p3u h ASN 166 CO -0.04 0.54 0.50 0.28 -0.37 0.00 0.00 177.43 178.34 2p3u h SER 167 N 0.08 0.67 -0.16 1.15 0.02 -1.83 -1.86 113.55 111.62 2p3u h SER 167 Ca 0.05 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2p3u h SER 167 Cb 0.38 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 2p3u h SER 167 CO 0.01 0.42 -0.25 0.00 -1.14 0.00 0.00 176.83 175.86 2p3u h LYS 169 N 0.10 0.98 -0.11 0.00 1.57 -1.04 -1.04 116.57 117.02 2p3u h LYS 169 Ca 0.01 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 2p3u h LYS 169 Cb 0.83 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2p3u h LYS 169 CO 0.06 0.79 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.45 2p3u h LEU 170 N 0.96 0.18 0.00 2.94 3.38 -1.28 -2.85 115.31 118.64 2p3u h LEU 170 Ca 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2p3u h LEU 170 Cb 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2p3u h LEU 170 CO -0.02 0.41 -0.18 0.77 0.09 0.00 0.00 178.44 179.51 2p3u h SER 171 N 0.18 0.00 -2.94 -0.43 4.64 -0.51 -3.47 113.55 111.02 2p3u h SER 171 Ca 0.03 -0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.71 2p3u h SER 171 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.50 2p3u h SER 171 CO 0.03 0.01 -0.29 -0.55 -0.87 0.00 0.00 176.83 175.16 2p3u s SER 172 N -5.38 6.66 0.08 4.97 0.15 -0.68 -4.80 113.70 114.69 2p3u s SER 172 Ca 0.07 0.78 0.27 0.00 0.70 0.00 0.00 55.95 57.77 2p3u s SER 172 Cb 0.09 -2.19 0.87 0.00 -1.71 0.00 0.00 66.02 63.07 2p3u s SER 172 CO 0.67 0.32 1.71 -1.20 1.20 0.00 0.00 173.24 175.94 2p3u n SER 173 N 2.06 0.41 -4.39 5.45 7.64 -1.26 -4.85 113.62 118.69 2p3u n SER 173 Ca -0.15 0.34 -0.25 0.00 1.01 0.00 0.00 58.87 59.82 2p3u n SER 173 Cb 0.53 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 63.25 2p3u n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2p3u s PHE 174 N -3.05 2.16 0.21 1.43 0.08 -1.26 -5.10 117.98 112.44 2p3u s PHE 174 Ca 0.11 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.46 2p3u s PHE 174 Cb 0.16 -1.07 -0.11 0.00 -0.57 0.00 0.00 43.02 41.43 2p3u s PHE 174 CO 0.60 0.44 1.64 0.42 -0.10 0.00 0.00 175.22 178.23 2p3u s ILE 175 N -1.74 2.24 -0.43 0.64 1.09 -1.26 -4.97 121.20 116.76 2p3u s ILE 175 Ca 0.19 0.18 -0.18 0.00 -1.10 0.00 0.00 60.65 59.73 2p3u s ILE 175 Cb -0.07 -3.11 0.02 0.00 -1.06 0.00 0.00 42.46 38.24 2p3u s ILE 175 CO 0.09 0.02 0.51 -0.63 -0.10 0.00 0.00 174.94 174.82 2p3u s ILE 176 N 0.88 5.00 0.76 2.92 -1.09 -1.26 -5.04 121.20 123.37 2p3u s ILE 176 Ca 0.70 -0.24 -0.09 0.00 -2.23 0.00 0.00 60.65 58.80 2p3u s ILE 176 Cb -0.47 -4.10 0.09 0.00 -1.58 0.00 0.00 42.46 36.39 2p3u s ILE 176 CO 0.35 -0.50 1.09 0.42 -1.23 0.00 0.00 174.94 175.08 2p3u s THR 177 N 2.35 2.16 -0.62 2.92 -4.23 -1.26 -4.92 115.64 112.04 2p3u s THR 177 Ca 0.15 -0.19 0.13 0.00 -1.18 0.00 0.00 61.69 60.60 2p3u s THR 177 Cb -0.16 -2.97 0.13 0.00 1.34 0.00 0.00 72.50 70.84 2p3u s THR 177 CO 0.15 0.00 1.41 0.00 -0.54 0.00 0.00 174.62 175.64 2p3u n GLN 178 N -3.12 0.08 -0.42 3.99 0.00 -1.26 -1.55 117.38 115.10 2p3u n GLN 178 Ca 0.09 0.51 0.12 0.00 0.00 0.00 0.00 57.00 57.72 2p3u n GLN 178 Cb 0.60 -1.73 0.33 0.00 0.00 0.00 0.00 30.24 29.45 2p3u n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2p3u n ASN 179 N -1.89 4.12 -4.29 2.61 3.02 -1.26 -4.91 115.26 112.65 2p3u n ASN 179 Ca 0.00 -2.07 -0.21 0.00 -0.03 0.00 0.00 54.58 52.26 2p3u n ASN 179 Cb 0.06 -0.51 -0.12 0.00 -0.61 0.00 0.00 39.78 38.61 2p3u n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2p3u s MET 180 N -1.15 1.16 0.17 3.52 -1.94 -0.60 -0.46 119.30 120.00 2p3u s MET 180 Ca 0.50 -1.29 -0.02 0.00 -1.71 0.00 0.00 55.69 53.17 2p3u s MET 180 Cb 0.27 -1.23 -0.04 0.00 2.01 0.00 0.00 34.83 35.84 2p3u s MET 180 CO 0.32 0.26 0.11 -0.59 -0.01 0.00 0.00 175.02 175.12 2p3u s PHE 181 N -1.82 0.95 0.10 -0.03 -0.12 -0.08 -4.75 117.98 112.22 2p3u s PHE 181 Ca 0.11 -1.25 0.09 0.00 -0.05 0.00 0.00 56.93 55.83 2p3u s PHE 181 Cb -0.07 -0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 41.82 2p3u s PHE 181 CO 0.05 -0.60 -0.22 0.00 -0.05 0.00 0.00 175.22 174.41 2p3u s ALA 183 N -1.03 -0.97 0.00 0.00 0.00 -0.48 -1.63 121.76 117.65 2p3u s ALA 183 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2p3u s ALA 183 Cb -0.10 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.26 2p3u s ALA 183 CO 0.07 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2p3u n GLY 184 N 0.75 0.36 3.18 0.00 0.00 0.19 -1.40 105.19 108.27 2p3u n GLY 184 Ca -0.19 -1.84 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 2p3u n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p3u s TYR 185 N -1.35 1.22 0.02 1.61 2.02 -1.26 -4.01 117.35 115.59 2p3u s TYR 185 Ca 0.00 -0.49 -0.27 0.00 -0.37 0.00 0.00 57.07 55.94 2p3u s TYR 185 Cb 0.00 -0.68 -0.15 0.00 -0.40 0.00 0.00 41.96 40.73 2p3u s TYR 185 CO 0.00 0.06 1.14 0.22 -1.57 0.00 0.00 175.55 175.40 2p3u h ASP 185 N 4.14 -0.83 0.00 2.29 -0.00 -1.91 -3.43 116.42 116.67 2p3u h ASP 185 Ca -0.40 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 2p3u h ASP 185 Cb 1.19 0.22 0.00 0.00 -0.00 0.00 0.00 39.33 40.74 2p3u h ASP 185 CO 0.42 -0.46 -0.98 0.35 -0.00 0.00 0.00 179.24 178.58 2p3u n THR 185 N -5.39 0.00 -1.72 2.25 -2.24 -1.26 -0.45 114.28 105.46 2p3u n THR 185 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2p3u n THR 185 Cb 0.39 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2p3u n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2p3u n LYS 186 N -1.62 2.63 -1.39 -0.78 4.81 -1.26 -4.79 118.16 115.76 2p3u n LYS 186 Ca 0.00 0.94 -0.39 0.00 -0.87 0.00 0.00 58.31 57.99 2p3u n LYS 186 Cb 0.15 -2.73 -0.02 0.00 0.02 0.00 0.00 35.03 32.44 2p3u n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2p3u n GLN 187 N 2.86 3.37 -4.05 1.64 3.00 -1.26 -4.73 117.38 118.21 2p3u n GLN 187 Ca 0.12 -2.26 -0.15 0.00 -0.01 0.00 0.00 57.00 54.70 2p3u n GLN 187 Cb 0.35 -2.91 -0.15 0.00 0.00 0.00 0.00 30.24 27.53 2p3u n GLN 187 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2p3u s GLU 188 N 2.55 0.31 -0.16 -1.09 2.02 -1.26 -4.17 118.70 116.90 2p3u s GLU 188 Ca 0.62 -0.09 -0.35 0.00 0.02 0.00 0.00 54.97 55.17 2p3u s GLU 188 Cb 0.17 -0.34 0.14 0.00 0.10 0.00 0.00 34.13 34.20 2p3u s GLU 188 CO -0.06 0.04 1.33 0.34 0.02 0.00 0.00 175.26 176.93 2p3u s ASP 189 N 0.14 -0.05 0.95 -0.19 2.15 -0.89 -4.37 116.67 114.42 2p3u s ASP 189 Ca -0.01 -0.03 -0.14 0.00 0.43 0.00 0.00 52.55 52.80 2p3u s ASP 189 Cb -0.04 0.08 0.17 0.00 -0.30 0.00 0.00 42.92 42.82 2p3u s ASP 189 CO -0.00 -0.13 1.19 0.00 -0.17 0.00 0.00 175.17 176.05 2p3u s ALA 190 N -2.21 1.86 0.35 3.66 0.00 -1.26 -0.33 121.76 123.83 2p3u s ALA 190 Ca 0.12 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2p3u s ALA 190 Cb 0.02 -2.94 0.04 0.00 0.00 0.00 0.00 23.12 20.24 2p3u s ALA 190 CO -0.04 -2.42 0.62 0.00 0.00 0.00 0.00 175.76 173.93 2p3u n GLN 192 N -0.51 2.20 0.00 0.00 7.27 -1.26 -1.20 117.38 123.87 2p3u n GLN 192 Ca -0.05 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.80 2p3u n GLN 192 Cb 0.55 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.78 2p3u n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2p3u n GLY 193 N 1.38 3.16 0.14 1.69 0.00 -1.26 -1.14 105.19 109.15 2p3u n GLY 193 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2p3u n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2p3u h ASP 194 N 0.00 0.00 -2.19 1.61 3.32 -1.47 -3.32 116.42 114.38 2p3u h ASP 194 Ca 0.00 -0.05 -0.63 0.00 0.02 0.00 0.00 57.03 56.38 2p3u h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 2p3u h ASP 194 CO 0.00 0.02 0.20 -1.20 -1.72 0.00 0.00 179.24 176.55 2p3u n SER 195 N -2.62 1.33 0.00 6.45 7.64 -1.25 -1.12 113.62 124.05 2p3u n SER 195 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2p3u n SER 195 Cb 0.50 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2p3u n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2p3u n GLY 196 N 1.67 2.04 3.27 0.23 0.00 0.99 0.32 105.19 113.72 2p3u n GLY 196 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2p3u n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p3u n GLY 197 N -2.00 -0.90 3.74 -0.02 0.00 -0.27 -3.20 105.19 102.53 2p3u n GLY 197 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2p3u n GLY 197 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2p3u s PRO 198 N -5.26 4.60 -0.25 1.61 0.02 -1.26 -2.03 135.00 132.43 2p3u s PRO 198 Ca 0.62 1.69 -0.02 0.00 0.02 0.00 0.00 61.00 63.31 2p3u s PRO 198 Cb -0.02 -3.29 0.03 0.00 0.02 0.00 0.00 34.50 31.24 2p3u s PRO 198 CO 0.43 0.08 -0.05 -1.58 -0.33 0.00 0.00 177.00 175.55 2p3u s HIS 199 N -0.19 3.08 0.21 6.54 2.46 -0.72 -2.87 115.29 123.81 2p3u s HIS 199 Ca 0.49 -1.56 0.11 0.00 0.47 0.00 0.00 55.06 54.58 2p3u s HIS 199 Cb -0.29 -2.07 -0.05 0.00 -0.13 0.00 0.00 32.58 30.05 2p3u s HIS 199 CO 0.34 -0.73 -0.22 0.14 -2.47 0.00 0.00 174.74 171.80 2p3u s VAL 200 N 1.33 2.27 -0.08 0.89 -7.23 0.09 -0.72 120.40 116.94 2p3u s VAL 200 Ca -0.00 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2p3u s VAL 200 Cb -0.17 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.66 2p3u s VAL 200 CO -0.04 -0.23 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.43 2p3u s THR 201 N -1.96 1.76 0.00 5.32 2.01 0.40 0.43 115.64 123.60 2p3u s THR 201 Ca 0.22 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 2p3u s THR 201 Cb -0.07 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2p3u s THR 201 CO 0.10 0.49 0.73 -0.60 -0.69 0.00 0.00 174.62 174.66 2p3u s ARG 202 N 0.35 4.46 -0.10 4.92 3.52 -1.26 -1.33 118.95 129.51 2p3u s ARG 202 Ca -0.15 0.98 -0.03 0.00 -0.13 0.00 0.00 55.73 56.40 2p3u s ARG 202 Cb -0.16 -3.39 0.05 0.00 -1.56 0.00 0.00 34.95 29.88 2p3u s ARG 202 CO 0.07 0.21 0.11 0.12 -0.81 0.00 0.00 175.30 175.00 2p3u s PHE 203 N 0.25 -0.02 -1.37 5.12 5.36 0.21 -4.89 117.98 122.65 2p3u s PHE 203 Ca 0.38 0.23 -0.06 0.00 -0.96 0.00 0.00 56.93 56.52 2p3u s PHE 203 Cb -0.19 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.04 2p3u s PHE 203 CO 0.21 -0.33 0.44 1.63 -1.46 0.00 0.00 175.22 175.71 2p3u n LYS 204 N 5.31 -2.37 -1.35 10.12 5.02 -1.26 -1.67 118.16 131.94 2p3u n LYS 204 Ca -0.05 0.34 -0.12 0.00 -2.02 0.00 0.00 58.31 56.46 2p3u n LYS 204 Cb 0.50 -4.16 -0.05 0.00 -0.02 0.00 0.00 35.03 31.29 2p3u n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2p3u n ASP 205 N -2.85 -4.92 -4.18 4.39 8.00 -1.26 -4.98 116.55 110.74 2p3u n ASP 205 Ca -0.26 0.30 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 2p3u n ASP 205 Cb 0.66 -3.49 -0.16 0.00 -0.02 0.00 0.00 41.12 38.11 2p3u n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2p3u s THR 206 N -2.30 1.62 -0.21 -3.53 2.01 -0.67 -5.13 115.64 107.42 2p3u s THR 206 Ca 0.00 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 2p3u s THR 206 Cb 0.00 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 2p3u s THR 206 CO 0.00 0.46 0.06 -0.31 -0.69 0.00 0.00 174.62 174.14 2p3u s TYR 207 N -0.08 3.15 -0.07 4.92 1.51 -1.26 -0.62 117.35 124.90 2p3u s TYR 207 Ca -0.02 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 2p3u s TYR 207 Cb -0.12 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2p3u s TYR 207 CO 0.02 -0.11 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.16 2p3u s PHE 208 N 1.00 2.76 0.00 2.71 0.40 -0.44 -2.21 117.98 122.21 2p3u s PHE 208 Ca 0.04 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 55.86 2p3u s PHE 208 Cb -0.14 -1.68 -0.06 0.00 0.51 0.00 0.00 43.02 41.64 2p3u s PHE 208 CO 0.03 0.14 1.57 0.08 0.70 0.00 0.00 175.22 177.74 2p3u s VAL 209 N -0.54 3.44 0.00 -0.44 1.01 0.40 -0.46 120.40 123.81 2p3u s VAL 209 Ca 0.08 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.81 2p3u s VAL 209 Cb -0.12 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2p3u s VAL 209 CO 0.02 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.44 2p3u n THR 210 N 4.98 0.00 -3.78 3.92 -2.24 0.10 -4.50 114.28 112.75 2p3u n THR 210 Ca 0.15 -0.18 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 2p3u n THR 210 Cb 0.42 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 2p3u n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2p3u s GLY 211 N -1.36 -0.07 -0.10 3.38 0.00 -0.44 -3.14 107.32 105.59 2p3u s GLY 211 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.49 2p3u s GLY 211 CO 0.00 -0.19 -0.21 -0.42 0.00 0.00 0.00 173.10 172.28 2p3u s ILE 212 N -3.90 1.82 -0.03 0.90 1.01 -1.02 -1.75 121.20 118.24 2p3u s ILE 212 Ca 0.11 -0.87 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 2p3u s ILE 212 Cb -0.03 -1.60 -0.10 0.00 0.01 0.00 0.00 42.46 40.75 2p3u s ILE 212 CO 0.01 0.51 1.98 0.52 0.00 0.00 0.00 174.94 177.96 2p3u n VAL 213 N 3.71 0.67 0.01 2.92 0.31 -0.86 -0.78 118.33 124.30 2p3u n VAL 213 Ca -0.20 -0.16 -0.01 0.00 -0.01 0.00 0.00 64.34 63.96 2p3u n VAL 213 Cb 0.52 -2.19 -0.00 0.00 -0.91 0.00 0.00 33.84 31.26 2p3u n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2p3u n SER 214 N 7.68 0.52 -3.82 4.52 2.88 -0.84 -0.00 113.62 124.56 2p3u n SER 214 Ca 0.22 0.07 -0.07 0.00 -1.33 0.00 0.00 58.87 57.76 2p3u n SER 214 Cb 0.37 -0.25 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 2p3u n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2p3u s TRP 215 N -1.48 -0.21 -0.18 0.66 1.48 -0.80 -4.86 118.94 113.54 2p3u s TRP 215 Ca -0.03 -0.22 -0.30 0.00 -1.06 0.00 0.00 56.10 54.49 2p3u s TRP 215 Cb 0.00 0.69 0.14 0.00 -1.16 0.00 0.00 33.47 33.15 2p3u s TRP 215 CO 0.04 -1.17 1.10 0.20 -4.06 0.00 0.00 176.95 173.06 2p3u s GLY 216 N -2.91 -0.20 -0.92 3.67 0.00 -1.26 -0.52 107.32 105.19 2p3u s GLY 216 Ca 0.10 2.12 -0.24 0.00 0.00 0.00 0.00 44.72 46.70 2p3u s GLY 216 CO 0.05 0.96 1.46 -0.54 0.00 0.00 0.00 173.10 175.03 2p3u s GLU 217 N -1.33 3.36 3.35 2.90 2.02 -1.26 -4.76 118.70 122.98 2p3u s GLU 217 Ca 0.02 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2p3u s GLU 217 Cb -0.01 -4.97 0.00 0.00 0.10 0.00 0.00 34.13 29.25 2p3u s GLU 217 CO -0.02 -2.30 0.00 0.41 0.02 0.00 0.00 175.26 173.37 2p3u n GLY 218 N 6.42 0.05 2.78 -1.39 0.00 -1.26 -4.65 105.19 107.15 2p3u n GLY 218 Ca 0.25 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 2p3u n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p3u n ALA 221 N 4.09 -0.48 -1.77 0.00 0.00 -1.26 -4.62 120.51 116.47 2p3u n ALA 221 Ca -0.27 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 2p3u n ALA 221 Cb 0.51 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 2p3u n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2p3u s ARG 222 N -4.30 3.96 0.26 0.00 0.52 -1.26 -4.70 118.95 113.43 2p3u s ARG 222 Ca 0.00 1.77 -0.31 0.00 -0.52 0.00 0.00 55.73 56.68 2p3u s ARG 222 Cb 0.00 -2.56 -0.11 0.00 0.52 0.00 0.00 34.95 32.79 2p3u s ARG 222 CO 0.00 -0.38 1.64 0.15 0.02 0.00 0.00 175.30 176.72 2p3u s LYS 223 N -2.47 4.13 0.00 3.54 -0.14 -1.26 -2.17 119.74 121.37 2p3u s LYS 223 Ca 0.59 2.58 0.00 0.00 -1.36 0.00 0.00 55.97 57.78 2p3u s LYS 223 Cb -0.29 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 2p3u s LYS 223 CO 0.36 -0.67 0.00 0.41 -0.76 0.00 0.00 175.35 174.69 2p3u n GLY 223 N 2.84 0.51 3.28 -3.33 0.00 0.41 -5.00 105.19 103.90 2p3u n GLY 223 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2p3u n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p3u s LYS 224 N -0.30 1.12 0.40 1.61 -0.14 -0.92 -4.78 119.74 116.73 2p3u s LYS 224 Ca 0.00 -1.17 0.07 0.00 -1.36 0.00 0.00 55.97 53.51 2p3u s LYS 224 Cb 0.00 -1.34 -0.07 0.00 -1.68 0.00 0.00 37.83 34.74 2p3u s LYS 224 CO 0.00 0.31 0.03 0.71 -0.76 0.00 0.00 175.35 175.63 2p3u s TYR 225 N -1.27 2.52 0.16 3.18 2.02 -1.26 -4.60 117.35 118.11 2p3u s TYR 225 Ca 0.07 -0.63 -0.27 0.00 -0.37 0.00 0.00 57.07 55.87 2p3u s TYR 225 Cb -0.10 -1.75 -0.08 0.00 -0.40 0.00 0.00 41.96 39.64 2p3u s TYR 225 CO 0.04 0.42 0.83 0.20 -1.57 0.00 0.00 175.55 175.48 2p3u s GLY 226 N -3.73 2.96 -0.15 0.71 0.00 -0.49 -4.55 107.32 102.06 2p3u s GLY 226 Ca 0.36 0.44 -0.03 0.00 0.00 0.00 0.00 44.72 45.48 2p3u s GLY 226 CO 0.19 1.04 -0.05 -0.42 0.00 0.00 0.00 173.10 173.86 2p3u s ILE 227 N -0.88 3.80 0.06 0.90 -1.09 0.32 -1.38 121.20 122.93 2p3u s ILE 227 Ca 0.39 -0.39 0.09 0.00 -2.23 0.00 0.00 60.65 58.50 2p3u s ILE 227 Cb -0.23 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 2p3u s ILE 227 CO 0.28 0.49 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.93 2p3u s TYR 228 N 0.39 2.08 0.16 3.97 1.51 0.48 -1.91 117.35 124.03 2p3u s TYR 228 Ca -0.05 -0.39 -0.31 0.00 -1.01 0.00 0.00 57.07 55.31 2p3u s TYR 228 Cb -0.14 -1.22 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 2p3u s TYR 228 CO 0.03 0.14 1.44 0.99 -1.11 0.00 0.00 175.55 177.04 2p3u s THR 229 N -0.85 2.98 -0.95 -0.71 2.01 0.04 -0.91 115.64 117.25 2p3u s THR 229 Ca 0.10 0.73 -0.23 0.00 0.31 0.00 0.00 61.69 62.60 2p3u s THR 229 Cb -0.09 -3.47 0.05 0.00 0.01 0.00 0.00 72.50 69.00 2p3u s THR 229 CO 0.02 0.07 1.38 -0.75 -0.69 0.00 0.00 174.62 174.65 2p3u s LYS 230 N 0.75 3.50 0.47 4.92 2.20 0.39 -2.43 119.74 129.54 2p3u s LYS 230 Ca 0.65 -1.01 0.15 0.00 -0.36 0.00 0.00 55.97 55.39 2p3u s LYS 230 Cb -0.40 -5.07 1.12 0.00 -1.51 0.00 0.00 37.83 31.97 2p3u s LYS 230 CO 0.33 -2.15 2.05 0.28 -0.36 0.00 0.00 175.35 175.50 2p3u h VAL 231 N 6.55 0.95 0.00 4.02 2.07 -1.86 -1.45 116.25 126.53 2p3u h VAL 231 Ca 0.09 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2p3u h VAL 231 Cb 1.02 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2p3u h VAL 231 CO 1.37 0.05 -0.02 0.71 0.02 0.00 0.00 177.57 179.69 2p3u h THR 232 N 0.26 0.11 0.00 2.57 1.35 -1.89 0.13 112.91 115.44 2p3u h THR 232 Ca 0.17 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2p3u h THR 232 Cb 0.33 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2p3u h THR 232 CO -0.03 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.26 2p3u n ALA 233 N -2.12 2.15 -0.92 6.62 0.00 -0.54 -3.86 120.51 121.83 2p3u n ALA 233 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.48 2p3u n ALA 233 Cb 0.18 -1.44 0.11 0.00 0.00 0.00 0.00 19.45 18.29 2p3u n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2p3u n PHE 234 N -2.08 0.00 -0.14 0.00 3.72 0.44 -4.78 117.46 114.61 2p3u n PHE 234 Ca 0.05 -0.86 -0.05 0.00 -0.05 0.00 0.00 57.45 56.54 2p3u n PHE 234 Cb 0.37 -0.13 0.13 0.00 -0.94 0.00 0.00 39.48 38.91 2p3u n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2p3u h LEU 235 N 0.00 0.84 -0.47 4.37 3.38 -1.63 0.23 115.31 122.03 2p3u h LEU 235 Ca 0.00 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.61 2p3u h LEU 235 Cb 0.93 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2p3u h LEU 235 CO 0.00 0.88 -0.41 0.11 0.09 0.00 0.00 178.44 179.11 2p3u h LYS 236 N 0.82 0.82 -0.48 1.13 1.57 -1.89 -1.22 116.57 117.31 2p3u h LYS 236 Ca 0.16 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 2p3u h LYS 236 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2p3u h LYS 236 CO 0.02 1.07 0.18 2.35 -0.57 0.00 0.00 179.45 182.50 2p3u h TRP 237 N 0.66 0.74 -0.39 -1.35 7.01 -1.75 -1.19 115.95 119.69 2p3u h TRP 237 Ca 0.05 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2p3u h TRP 237 Cb 0.98 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 2p3u h TRP 237 CO 0.06 0.64 0.19 0.82 -2.79 0.00 0.00 178.44 177.36 2p3u h ILE 238 N 0.64 1.17 -0.62 2.65 2.04 -0.50 -1.57 117.51 121.31 2p3u h ILE 238 Ca 0.16 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2p3u h ILE 238 Cb 0.22 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2p3u h ILE 238 CO -0.01 0.18 0.36 -0.78 0.00 0.00 0.00 178.15 177.89 2p3u h ASP 239 N 0.49 0.55 -0.67 1.72 3.58 -0.97 -1.97 116.42 119.14 2p3u h ASP 239 Ca 0.13 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 2p3u h ASP 239 Cb 0.11 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2p3u h ASP 239 CO -0.02 0.37 0.19 0.03 -2.88 0.00 0.00 179.24 176.93 2p3u h ARG 240 N 0.68 1.06 0.00 0.28 3.08 -1.05 -2.86 114.38 115.57 2p3u h ARG 240 Ca 0.27 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2p3u h ARG 240 Cb 0.11 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2p3u h ARG 240 CO -0.15 0.93 -0.24 0.77 -1.07 0.00 0.00 179.97 180.21 2p3u h SER 241 N 0.99 0.00 -0.17 7.04 0.02 -0.69 -1.66 113.55 119.09 2p3u h SER 241 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2p3u h SER 241 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2p3u h SER 241 CO -0.00 0.24 0.00 0.23 -1.14 0.00 0.00 176.83 176.15 2p3u n MET 242 N -4.01 1.63 0.00 3.45 2.81 -0.80 -5.03 117.12 115.17 2p3u n MET 242 Ca -0.02 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.16 2p3u n MET 242 Cb 0.31 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 2p3u n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11