#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3k s VAL 17 N 0.00 5.14 0.00 1.39 1.01 0.12 -4.02 120.40 124.04 2w3k s VAL 17 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2w3k s VAL 17 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2w3k s VAL 17 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.91 2w3k n GLY 18 N 3.91 0.61 7.00 4.51 0.00 -1.26 -2.20 105.19 117.75 2w3k n GLY 18 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2w3k n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3k n GLY 19 N 0.00 0.14 3.23 -0.02 0.00 -1.26 -4.91 105.19 102.37 2w3k n GLY 19 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2w3k n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3k s GLN 20 N 0.00 1.05 0.20 1.61 -1.52 0.04 -4.97 119.66 116.07 2w3k s GLN 20 Ca 0.00 -1.48 -0.30 0.00 -1.95 0.00 0.00 55.36 51.62 2w3k s GLN 20 Cb 0.00 -0.31 -0.09 0.00 -0.22 0.00 0.00 33.01 32.39 2w3k s GLN 20 CO 0.00 -0.08 1.35 -2.00 -0.25 0.00 0.00 175.29 174.31 2w3k s GLU 21 N -3.87 4.35 -0.09 2.91 2.12 -1.26 0.31 118.70 123.16 2w3k s GLU 21 Ca 0.20 2.11 -0.29 0.00 0.36 0.00 0.00 54.97 57.35 2w3k s GLU 21 Cb 0.05 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 2w3k s GLU 21 CO 0.02 -0.31 1.68 0.00 -0.54 0.00 0.00 175.26 176.10 2w3k s LYS 23 N 4.28 1.06 -0.03 0.00 -0.14 -1.26 -4.90 119.74 118.75 2w3k s LYS 23 Ca 0.74 -0.54 -0.31 0.00 -1.36 0.00 0.00 55.97 54.50 2w3k s LYS 23 Cb -0.32 -1.99 -0.10 0.00 -1.68 0.00 0.00 37.83 33.75 2w3k s LYS 23 CO 0.30 -2.06 1.97 -3.47 -0.76 0.00 0.00 175.35 171.33 2w3k n ASP 24 N -3.46 3.82 0.00 2.83 2.03 -1.26 -1.79 116.55 118.72 2w3k n ASP 24 Ca 0.14 0.86 0.00 0.00 0.52 0.00 0.00 54.79 56.32 2w3k n ASP 24 Cb 0.60 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 2w3k n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2w3k n GLY 25 N 4.64 0.85 0.09 0.27 0.00 -1.26 -4.94 105.19 104.84 2w3k n GLY 25 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 2w3k n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2w3k h GLU 26 N 3.37 0.00 -1.91 1.61 5.08 -1.71 -3.38 114.58 117.65 2w3k h GLU 26 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 2w3k h GLU 26 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 2w3k h GLU 26 CO 0.00 0.77 -0.85 0.00 -1.00 0.00 0.00 179.01 177.93 2w3k n PRO 28 N -0.16 0.08 0.00 0.00 -0.04 -1.26 -2.76 135.00 130.86 2w3k n PRO 28 Ca 0.29 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 2w3k n PRO 28 Cb 0.56 -1.63 0.30 0.00 -0.04 0.00 0.00 33.50 32.69 2w3k n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2w3k n TRP 29 N -1.77 0.00 -1.95 0.54 2.14 -1.09 -1.57 117.44 113.73 2w3k n TRP 29 Ca 0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 2w3k n TRP 29 Cb 0.25 -0.24 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 2w3k n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2w3k s GLN 30 N -2.91 4.23 0.18 -2.67 2.00 -1.11 -0.16 119.66 119.21 2w3k s GLN 30 Ca 0.14 2.35 0.10 0.00 -2.00 0.00 0.00 55.36 55.95 2w3k s GLN 30 Cb 0.18 -3.14 -0.04 0.00 0.80 0.00 0.00 33.01 30.81 2w3k s GLN 30 CO 0.66 -0.55 -0.22 0.00 -0.50 0.00 0.00 175.29 174.67 2w3k s ALA 31 N 0.77 2.31 -0.12 1.58 0.00 -0.62 -4.42 121.76 121.27 2w3k s ALA 31 Ca 0.67 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2w3k s ALA 31 Cb -0.43 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2w3k s ALA 31 CO 0.35 0.36 -0.20 -1.17 0.00 0.00 0.00 175.76 175.10 2w3k s LEU 32 N -2.63 1.97 -0.06 0.00 2.96 -0.29 -1.55 118.68 119.08 2w3k s LEU 32 Ca 0.18 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.34 2w3k s LEU 32 Cb -0.07 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 2w3k s LEU 32 CO 0.08 0.08 0.67 -0.76 -1.32 0.00 0.00 176.35 175.10 2w3k s LEU 33 N 0.76 4.33 -0.02 -0.68 1.43 -0.27 -0.41 118.68 123.81 2w3k s LEU 33 Ca -0.10 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.23 2w3k s LEU 33 Cb -0.16 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 2w3k s LEU 33 CO 0.01 -0.08 -0.22 0.27 0.23 0.00 0.00 176.35 176.56 2w3k s ILE 34 N 0.67 1.72 0.38 -0.59 -4.36 -0.38 -1.56 121.20 117.08 2w3k s ILE 34 Ca 0.36 -0.93 -0.05 0.00 -0.26 0.00 0.00 60.65 59.77 2w3k s ILE 34 Cb -0.18 -1.43 0.09 0.00 1.25 0.00 0.00 42.46 42.19 2w3k s ILE 34 CO 0.18 0.49 0.52 -0.46 0.24 0.00 0.00 174.94 175.91 2w3k n ASN 35 N 2.57 0.19 0.16 4.36 0.23 -0.05 -1.59 115.26 121.13 2w3k n ASN 35 Ca -0.15 -1.28 0.16 0.00 -0.53 0.00 0.00 54.58 52.77 2w3k n ASN 35 Cb 0.52 -0.39 0.75 0.00 -2.08 0.00 0.00 39.78 38.58 2w3k n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2w3k h GLU 36 N 0.00 0.00 -0.01 -3.83 9.09 -1.90 0.18 114.58 118.11 2w3k h GLU 36 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 2w3k h GLU 36 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 2w3k h GLU 36 CO 0.13 0.00 0.00 -1.91 0.05 0.00 0.00 179.01 177.28 2w3k n GLU 37 N -4.15 1.05 -3.18 1.06 4.07 -1.26 -4.89 120.64 113.34 2w3k n GLU 37 Ca 0.03 -0.08 -0.23 0.00 -0.06 0.00 0.00 57.16 56.82 2w3k n GLU 37 Cb 0.34 -1.28 0.02 0.00 -0.06 0.00 0.00 31.44 30.47 2w3k n GLU 37 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2w3k n ASN 38 N -0.69 -5.25 -4.69 4.31 5.03 0.62 -5.00 115.26 109.59 2w3k n ASN 38 Ca 0.13 -0.34 -0.35 0.00 0.87 0.00 0.00 54.58 54.89 2w3k n ASN 38 Cb 0.08 -4.27 -0.09 0.00 -1.02 0.00 0.00 39.78 34.48 2w3k n ASN 38 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2w3k s GLU 39 N -5.85 3.84 0.22 3.52 2.56 -1.26 -4.81 118.70 116.93 2w3k s GLU 39 Ca 0.35 -0.30 -0.30 0.00 0.00 0.00 0.00 54.97 54.72 2w3k s GLU 39 Cb -0.17 -3.20 -0.10 0.00 2.00 0.00 0.00 34.13 32.66 2w3k s GLU 39 CO 0.44 0.39 1.42 0.20 -0.56 0.00 0.00 175.26 177.15 2w3k s GLY 40 N 0.04 2.25 0.00 -1.50 0.00 -1.26 -0.87 107.32 105.98 2w3k s GLY 40 Ca 0.07 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.06 2w3k s GLY 40 CO 0.00 2.28 0.00 1.97 0.00 0.00 0.00 173.10 177.35 2w3k n PHE 41 N 2.68 0.00 -3.86 1.90 1.16 -0.60 -4.93 117.46 113.80 2w3k n PHE 41 Ca 0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.56 2w3k n PHE 41 Cb 0.41 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.23 2w3k n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2w3k n GLY 43 N -0.30 2.31 3.80 0.00 0.00 0.15 -1.12 105.19 110.04 2w3k n GLY 43 Ca -0.08 -2.26 -0.06 0.00 0.00 0.00 0.00 46.02 43.62 2w3k n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w3k s GLY 44 N -4.53 -0.16 -0.10 -0.02 0.00 -0.60 -3.74 107.32 98.17 2w3k s GLY 44 Ca 0.49 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 45.09 2w3k s GLY 44 CO 0.31 -0.05 -0.17 -1.59 0.00 0.00 0.00 173.10 171.61 2w3k s THR 45 N -3.75 1.58 -0.03 0.90 2.01 0.14 -1.59 115.64 114.90 2w3k s THR 45 Ca 0.11 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 2w3k s THR 45 Cb -0.05 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.99 2w3k s THR 45 CO 0.04 0.46 1.65 -0.63 -0.69 0.00 0.00 174.62 175.45 2w3k s ILE 46 N 0.79 3.51 -0.19 1.82 1.01 0.77 0.42 121.20 129.33 2w3k s ILE 46 Ca -0.10 0.67 0.12 0.00 0.00 0.00 0.00 60.65 61.34 2w3k s ILE 46 Cb -0.16 -3.43 -0.20 0.00 0.01 0.00 0.00 42.46 38.68 2w3k s ILE 46 CO 0.01 -0.05 -0.01 0.18 0.00 0.00 0.00 174.94 175.07 2w3k n LEU 47 N 6.91 0.80 0.00 2.97 4.77 -0.23 -1.78 117.00 130.43 2w3k n LEU 47 Ca 0.17 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2w3k n LEU 47 Cb 0.42 0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2w3k n LEU 47 CO 0.62 0.56 0.33 -1.54 -1.33 0.00 0.00 177.39 176.03 2w3k n SER 48 N -2.79 -1.28 0.27 -1.43 3.41 -1.12 -4.72 113.62 105.95 2w3k n SER 48 Ca -0.32 -1.86 0.11 0.00 -0.26 0.00 0.00 58.87 56.53 2w3k n SER 48 Cb 1.04 2.13 0.73 0.00 -0.26 0.00 0.00 64.21 67.84 2w3k n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2w3k h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.11 114.58 117.94 2w3k h GLU 49 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2w3k h GLU 49 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2w3k h GLU 49 CO 0.24 0.05 -0.97 1.19 0.07 0.00 0.00 179.01 179.59 2w3k n PHE 50 N -4.13 0.00 -5.06 2.06 3.72 -1.26 0.38 117.46 113.17 2w3k n PHE 50 Ca -0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 2w3k n PHE 50 Cb 0.14 -0.11 -0.16 0.00 -0.94 0.00 0.00 39.48 38.40 2w3k n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2w3k s TYR 51 N -2.48 2.05 -0.04 1.38 2.02 -1.18 0.11 117.35 119.21 2w3k s TYR 51 Ca 0.01 -0.56 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 2w3k s TYR 51 Cb 0.09 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.29 2w3k s TYR 51 CO 0.54 -0.16 -0.24 0.42 -1.57 0.00 0.00 175.55 174.55 2w3k s ILE 52 N -0.16 2.20 -0.16 2.71 -1.09 -0.48 -1.07 121.20 123.15 2w3k s ILE 52 Ca -0.01 -1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 57.26 2w3k s ILE 52 Cb -0.12 -1.79 -0.05 0.00 -1.58 0.00 0.00 42.46 38.93 2w3k s ILE 52 CO 0.02 0.58 0.21 -0.22 -1.23 0.00 0.00 174.94 174.29 2w3k s LEU 53 N -0.45 4.26 0.00 2.97 2.96 0.17 -1.02 118.68 127.57 2w3k s LEU 53 Ca 0.05 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 2w3k s LEU 53 Cb -0.12 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.35 2w3k s LEU 53 CO 0.01 0.19 0.11 1.07 -1.32 0.00 0.00 176.35 176.42 2w3k n THR 54 N 3.22 0.00 -3.45 3.68 5.66 -0.44 0.26 114.28 123.21 2w3k n THR 54 Ca -0.15 -0.51 -0.38 0.00 -3.05 0.00 0.00 64.05 59.96 2w3k n THR 54 Cb 0.52 0.30 -0.06 0.00 -1.55 0.00 0.00 70.33 69.54 2w3k n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2w3k s ALA 55 N -2.01 3.64 0.31 1.79 0.00 -1.26 -1.26 121.76 122.97 2w3k s ALA 55 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.88 2w3k s ALA 55 Cb -0.00 -2.46 0.65 0.00 0.00 0.00 0.00 23.12 21.32 2w3k s ALA 55 CO 0.06 0.36 1.86 0.00 0.00 0.00 0.00 175.76 178.04 2w3k h ALA 56 N 5.20 1.64 0.00 0.00 0.00 -1.71 -2.42 119.26 121.96 2w3k h ALA 56 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2w3k h ALA 56 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2w3k h ALA 56 CO 0.65 0.13 0.00 1.12 0.00 0.00 0.00 179.25 181.15 2w3k h HIS 57 N 0.88 0.00 0.00 0.00 2.07 -1.92 -1.78 115.15 114.41 2w3k h HIS 57 Ca 0.46 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.92 2w3k h HIS 57 Cb 0.53 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.51 2w3k h HIS 57 CO -0.00 0.00 -0.30 0.00 -3.07 0.00 0.00 177.93 174.56 2w3k h LEU 59 N 0.00 0.00 -0.16 0.00 3.38 -1.44 -1.10 115.31 115.99 2w3k h LEU 59 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2w3k h LEU 59 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2w3k h LEU 59 CO 0.04 0.00 -0.38 -1.22 0.09 0.00 0.00 178.44 176.97 2w3k n TYR 60 N -2.43 0.00 1.06 1.13 0.53 -1.16 -4.31 117.16 111.98 2w3k n TYR 60 Ca 0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.02 2w3k n TYR 60 Cb 0.23 -0.22 0.27 0.00 -1.03 0.00 0.00 39.34 38.59 2w3k n TYR 60 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 2w3k n GLN 61 N -1.22 2.10 -3.64 -0.72 7.27 -0.42 -4.85 117.38 115.90 2w3k n GLN 61 Ca 0.08 -1.61 -0.07 0.00 0.07 0.00 0.00 57.00 55.47 2w3k n GLN 61 Cb 0.34 -1.47 -0.07 0.00 2.41 0.00 0.00 30.24 31.45 2w3k n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2w3k s ALA 61 N -1.90 -2.05 0.00 1.69 0.00 -1.26 -5.07 121.76 113.18 2w3k s ALA 61 Ca 0.33 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.33 2w3k s ALA 61 Cb 0.20 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2w3k s ALA 61 CO 0.31 -0.29 0.94 1.17 0.00 0.00 0.00 175.76 177.89 2w3k n LYS 62 N 2.89 0.00 -4.69 0.00 4.81 -1.26 -4.73 118.16 115.18 2w3k n LYS 62 Ca -0.15 0.45 -0.34 0.00 -0.87 0.00 0.00 58.31 57.40 2w3k n LYS 62 Cb 0.57 -1.44 -0.12 0.00 0.02 0.00 0.00 35.03 34.06 2w3k n LYS 62 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2w3k s ARG 63 N -2.76 2.80 0.07 1.64 3.52 -1.26 -5.11 118.95 117.85 2w3k s ARG 63 Ca 0.00 -0.59 -0.10 0.00 -0.13 0.00 0.00 55.73 54.91 2w3k s ARG 63 Cb 0.00 -2.57 0.01 0.00 -1.56 0.00 0.00 34.95 30.83 2w3k s ARG 63 CO 0.00 0.59 0.23 -0.59 -0.81 0.00 0.00 175.30 174.72 2w3k s PHE 64 N -0.62 0.05 0.45 5.12 -0.71 -1.26 -3.75 117.98 117.26 2w3k s PHE 64 Ca 0.09 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.66 2w3k s PHE 64 Cb -0.11 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 2w3k s PHE 64 CO 0.02 -0.52 0.01 0.15 -1.34 0.00 0.00 175.22 173.54 2w3k s LYS 65 N -3.27 2.06 -0.13 1.99 1.02 -0.62 -4.50 119.74 116.29 2w3k s LYS 65 Ca 0.00 -2.24 0.03 0.00 0.02 0.00 0.00 55.97 53.78 2w3k s LYS 65 Cb 0.02 -1.56 0.01 0.00 -0.52 0.00 0.00 37.83 35.78 2w3k s LYS 65 CO -0.08 -0.20 -0.21 0.08 -0.92 0.00 0.00 175.35 174.02 2w3k s VAL 66 N -2.81 2.16 -0.17 3.17 1.01 -0.05 -1.25 120.40 122.46 2w3k s VAL 66 Ca 0.21 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2w3k s VAL 66 Cb 0.06 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2w3k s VAL 66 CO 0.11 0.55 0.09 -0.60 0.00 0.00 0.00 175.10 175.25 2w3k s ARG 67 N 0.68 3.90 0.26 2.72 3.52 0.45 -0.03 118.95 130.45 2w3k s ARG 67 Ca -0.10 -0.27 0.11 0.00 -0.13 0.00 0.00 55.73 55.34 2w3k s ARG 67 Cb -0.16 -3.25 -0.05 0.00 -1.56 0.00 0.00 34.95 29.93 2w3k s ARG 67 CO 0.01 0.39 -0.19 0.14 -0.81 0.00 0.00 175.30 174.84 2w3k s VAL 68 N 0.06 2.34 0.00 7.11 -7.23 -0.26 -1.13 120.40 121.28 2w3k s VAL 68 Ca 0.07 -2.36 0.00 0.00 -1.81 0.00 0.00 61.98 57.89 2w3k s VAL 68 Cb -0.12 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.58 2w3k s VAL 68 CO 0.00 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 2w3k n GLY 69 N -0.54 0.61 3.79 2.32 0.00 -1.26 -1.21 105.19 108.91 2w3k n GLY 69 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2w3k n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2w3k s ASP 70 N -2.38 7.18 0.00 1.61 2.15 -1.26 -4.14 116.67 119.83 2w3k s ASP 70 Ca 0.00 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.37 2w3k s ASP 70 Cb 0.00 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2w3k s ASP 70 CO 0.00 0.24 0.00 0.54 -0.17 0.00 0.00 175.17 175.78 2w3k n ARG 71 N 1.77 4.26 -3.36 4.34 1.74 -1.26 -4.86 116.66 119.28 2w3k n ARG 71 Ca -0.08 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.88 2w3k n ARG 71 Cb 0.50 -0.43 -0.08 0.00 -1.02 0.00 0.00 32.46 31.43 2w3k n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2w3k s ASN 72 N -0.81 0.77 0.11 0.55 3.04 -1.26 -1.15 114.94 116.19 2w3k s ASN 72 Ca 0.00 -0.25 0.22 0.00 0.04 0.00 0.00 52.86 52.86 2w3k s ASN 72 Cb 0.00 0.88 0.88 0.00 -1.54 0.00 0.00 41.25 41.47 2w3k s ASN 72 CO 0.00 -0.34 1.68 0.35 -3.04 0.00 0.00 177.10 175.74 2w3k n THR 73 N 5.34 0.69 0.25 -5.21 -2.24 0.49 -3.55 114.28 110.05 2w3k n THR 73 Ca -0.02 0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 2w3k n THR 73 Cb 0.49 -0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 67.77 2w3k n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2w3k h GLU 74 N 0.00 -0.66 -5.53 -0.78 5.08 -1.97 -3.45 114.58 107.27 2w3k h GLU 74 Ca 0.00 0.04 -0.65 0.00 -1.00 0.00 0.00 59.36 57.76 2w3k h GLU 74 Cb 0.41 0.15 -0.19 0.00 0.50 0.00 0.00 28.75 29.61 2w3k h GLU 74 CO 0.00 -0.36 -0.65 1.14 -1.00 0.00 0.00 179.01 178.14 2w3k s GLN 75 N -4.34 3.47 -0.41 2.33 -2.07 -1.23 -5.06 119.66 112.34 2w3k s GLN 75 Ca -0.13 -0.47 -0.28 0.00 -1.82 0.00 0.00 55.36 52.65 2w3k s GLN 75 Cb 0.01 -2.89 -0.00 0.00 -1.09 0.00 0.00 33.01 29.04 2w3k s GLN 75 CO 0.42 0.39 1.61 -2.00 -1.32 0.00 0.00 175.29 174.39 2w3k s GLU 76 N -0.03 3.36 0.09 9.60 2.56 -1.26 -4.84 118.70 128.18 2w3k s GLU 76 Ca 0.02 1.05 0.18 0.00 0.00 0.00 0.00 54.97 56.22 2w3k s GLU 76 Cb -0.13 -4.14 -0.11 0.00 2.00 0.00 0.00 34.13 31.75 2w3k s GLU 76 CO 0.02 -1.83 0.86 -0.85 -0.56 0.00 0.00 175.26 172.90 2w3k n GLU 77 N 8.38 0.62 0.00 4.30 -0.00 -1.26 -4.99 120.64 127.69 2w3k n GLU 77 Ca 0.19 0.19 0.00 0.00 -0.00 0.00 0.00 57.16 57.54 2w3k n GLU 77 Cb 0.48 -1.81 0.00 0.00 -0.00 0.00 0.00 31.44 30.11 2w3k n GLU 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2w3k n GLY 78 N 1.35 1.93 0.05 -1.84 0.00 -1.26 -4.97 105.19 100.45 2w3k n GLY 78 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2w3k n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3k n GLY 79 N 0.00 -1.33 3.79 -0.02 0.00 -1.26 -4.95 105.19 101.42 2w3k n GLY 79 Ca 0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2w3k n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2w3k s GLU 80 N -3.15 3.19 -0.14 1.61 8.01 -1.26 -4.64 118.70 122.33 2w3k s GLU 80 Ca 0.06 1.26 -0.10 0.00 0.01 0.00 0.00 54.97 56.19 2w3k s GLU 80 Cb 0.14 -2.01 0.04 0.00 -4.31 0.00 0.00 34.13 27.99 2w3k s GLU 80 CO 0.74 -0.92 0.36 0.00 0.01 0.00 0.00 175.26 175.44 2w3k s ALA 81 N -2.42 -0.89 -0.13 5.21 0.00 -0.35 -5.00 121.76 118.18 2w3k s ALA 81 Ca 0.65 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.71 2w3k s ALA 81 Cb -0.17 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2w3k s ALA 81 CO 0.38 -0.20 0.08 0.08 0.00 0.00 0.00 175.76 176.10 2w3k s VAL 82 N 0.70 4.96 -0.05 0.00 1.01 -1.26 -1.11 120.40 124.65 2w3k s VAL 82 Ca -0.04 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2w3k s VAL 82 Cb -0.05 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 2w3k s VAL 82 CO -0.05 0.56 -0.17 -1.00 0.00 0.00 0.00 175.10 174.45 2w3k s HIS 83 N -0.53 1.73 0.54 5.22 3.76 0.96 -4.98 115.29 121.99 2w3k s HIS 83 Ca 0.11 -0.54 -0.18 0.00 -0.15 0.00 0.00 55.06 54.30 2w3k s HIS 83 Cb -0.12 -1.18 -0.06 0.00 1.11 0.00 0.00 32.58 32.33 2w3k s HIS 83 CO 0.02 -0.20 1.04 -1.21 -0.85 0.00 0.00 174.74 173.54 2w3k s GLU 84 N 0.16 3.60 -0.18 1.40 2.02 -1.26 -0.87 118.70 123.57 2w3k s GLU 84 Ca -0.07 1.23 -0.15 0.00 0.02 0.00 0.00 54.97 56.00 2w3k s GLU 84 Cb -0.13 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 2w3k s GLU 84 CO 0.03 -0.58 0.35 0.08 0.02 0.00 0.00 175.26 175.15 2w3k s VAL 85 N -2.30 5.25 -0.15 2.63 1.01 -1.26 -0.94 120.40 124.65 2w3k s VAL 85 Ca 0.64 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 2w3k s VAL 85 Cb -0.15 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 2w3k s VAL 85 CO 0.29 0.32 0.16 -0.08 0.00 0.00 0.00 175.10 175.79 2w3k h GLU 86 N 7.05 0.00 -4.89 2.72 4.81 -0.82 -3.44 114.58 120.01 2w3k h GLU 86 Ca -0.39 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.38 2w3k h GLU 86 Cb 1.16 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.24 2w3k h GLU 86 CO 0.73 0.44 -0.80 0.08 -0.73 0.00 0.00 179.01 178.73 2w3k s VAL 87 N -2.07 0.98 -0.21 0.32 1.01 -1.00 -5.01 120.40 114.41 2w3k s VAL 87 Ca -0.15 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 2w3k s VAL 87 Cb 0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2w3k s VAL 87 CO 0.34 0.29 0.08 -0.69 0.00 0.00 0.00 175.10 175.12 2w3k s VAL 88 N 0.02 4.66 -0.36 2.92 1.01 -1.26 -1.32 120.40 126.07 2w3k s VAL 88 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2w3k s VAL 88 Cb -0.08 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.26 2w3k s VAL 88 CO 0.01 0.40 0.10 -0.63 0.00 0.00 0.00 175.10 174.97 2w3k s ILE 89 N 0.93 2.79 -0.12 2.22 1.01 0.32 -5.02 121.20 123.34 2w3k s ILE 89 Ca 0.04 -2.04 -0.06 0.00 0.00 0.00 0.00 60.65 58.59 2w3k s ILE 89 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2w3k s ILE 89 CO 0.03 -0.53 0.08 -0.75 0.00 0.00 0.00 174.94 173.77 2w3k s LYS 90 N 1.06 3.43 0.08 2.79 2.20 -1.26 -0.20 119.74 127.84 2w3k s LYS 90 Ca 0.06 -0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 55.11 2w3k s LYS 90 Cb -0.21 -3.09 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 2w3k s LYS 90 CO -0.05 0.65 1.75 -1.58 -0.36 0.00 0.00 175.35 175.75 2w3k s HIS 91 N -0.67 2.18 -1.71 4.03 5.65 -0.97 -4.87 115.29 118.94 2w3k s HIS 91 Ca 0.12 0.11 0.18 0.00 0.25 0.00 0.00 55.06 55.72 2w3k s HIS 91 Cb -0.12 -4.06 0.99 0.00 -1.18 0.00 0.00 32.58 28.20 2w3k s HIS 91 CO 0.02 -4.38 1.51 0.27 -0.65 0.00 0.00 174.74 171.51 2w3k n ASN 92 N 5.92 0.00 -0.62 9.88 6.94 -1.26 -2.14 115.26 133.99 2w3k n ASN 92 Ca 0.17 -0.26 0.10 0.00 -0.02 0.00 0.00 54.58 54.57 2w3k n ASN 92 Cb 0.40 -0.15 0.04 0.00 -2.36 0.00 0.00 39.78 37.71 2w3k n ASN 92 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2w3k n ARG 93 N -1.15 1.64 -1.93 -3.83 1.74 -1.26 -4.97 116.66 106.90 2w3k n ARG 93 Ca 0.11 -1.28 -0.41 0.00 -0.77 0.00 0.00 57.85 55.49 2w3k n ARG 93 Cb 0.10 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 2w3k n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2w3k s PHE 94 N -2.03 2.88 -0.01 -1.55 5.36 -0.91 -4.73 117.98 116.99 2w3k s PHE 94 Ca 0.20 1.03 -0.05 0.00 -0.96 0.00 0.00 56.93 57.15 2w3k s PHE 94 Cb 0.17 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 2w3k s PHE 94 CO 0.40 -2.87 0.11 0.95 -1.46 0.00 0.00 175.22 172.35 2w3k s THR 95 N -0.32 0.06 0.35 0.12 -4.23 -1.25 -5.04 115.64 105.33 2w3k s THR 95 Ca 0.58 -0.50 0.32 0.00 -1.18 0.00 0.00 61.69 60.91 2w3k s THR 95 Cb -0.44 -0.33 0.34 0.00 1.34 0.00 0.00 72.50 73.41 2w3k s THR 95 CO 0.49 -0.28 2.08 0.11 -0.54 0.00 0.00 174.62 176.48 2w3k h LYS 96 N 4.86 0.00 -0.60 3.99 1.57 -1.95 0.11 116.57 124.55 2w3k h LYS 96 Ca -0.29 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 2w3k h LYS 96 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 2w3k h LYS 96 CO 0.41 0.08 0.15 0.93 -0.57 0.00 0.00 179.45 180.45 2w3k h GLU 97 N 0.00 0.92 0.00 3.15 4.39 -1.99 -3.33 114.58 117.72 2w3k h GLU 97 Ca -0.00 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 2w3k h GLU 97 Cb 0.36 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2w3k h GLU 97 CO 0.01 0.82 -1.17 0.25 -1.16 0.00 0.00 179.01 177.76 2w3k n THR 98 N -4.26 0.06 -1.95 1.13 -2.24 -1.15 -5.01 114.28 100.86 2w3k n THR 98 Ca 0.04 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 2w3k n THR 98 Cb 0.23 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 2w3k n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2w3k n TYR 99 N -1.77 -0.46 -2.73 4.78 4.02 0.36 -4.95 117.16 116.42 2w3k n TYR 99 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 2w3k n TYR 99 Cb 0.24 -3.67 -0.03 0.00 -0.02 0.00 0.00 39.34 35.86 2w3k n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2w3k s ASP 100 N -2.44 6.54 -1.36 7.72 2.15 -1.26 -4.06 116.67 123.97 2w3k s ASP 100 Ca 0.00 1.24 -0.07 0.00 0.43 0.00 0.00 52.55 54.16 2w3k s ASP 100 Cb 0.00 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 2w3k s ASP 100 CO 0.00 -0.45 1.01 0.49 -0.17 0.00 0.00 175.17 176.05 2w3k n PHE 101 N -1.39 -2.42 -2.78 -5.34 3.01 -1.26 -3.81 117.46 103.47 2w3k n PHE 101 Ca 0.03 0.94 -0.43 0.00 1.01 0.00 0.00 57.45 59.00 2w3k n PHE 101 Cb 0.54 -4.69 -0.00 0.00 -0.01 0.00 0.00 39.48 35.32 2w3k n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2w3k s ASP 102 N -3.74 6.96 -0.20 4.37 2.15 -1.26 -4.11 116.67 120.84 2w3k s ASP 102 Ca 0.37 -2.72 -0.17 0.00 0.43 0.00 0.00 52.55 50.46 2w3k s ASP 102 Cb -0.17 -2.48 0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2w3k s ASP 102 CO 0.77 -0.95 0.52 -0.51 -0.17 0.00 0.00 175.17 174.83 2w3k s ILE 103 N 2.83 -0.00 0.02 4.11 2.07 -1.26 -4.11 121.20 124.85 2w3k s ILE 103 Ca 0.48 0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.62 2w3k s ILE 103 Cb 0.00 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 41.87 2w3k s ILE 103 CO 0.03 0.00 0.21 0.00 -1.91 0.00 0.00 174.94 173.28 2w3k s ALA 104 N 0.42 -0.47 -0.01 1.50 0.00 -0.39 -2.29 121.76 120.53 2w3k s ALA 104 Ca -0.01 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 51.94 2w3k s ALA 104 Cb -0.04 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2w3k s ALA 104 CO -0.01 -0.30 -0.25 0.08 0.00 0.00 0.00 175.76 175.28 2w3k s VAL 105 N -1.93 2.17 -0.16 0.00 1.01 0.71 -1.33 120.40 120.88 2w3k s VAL 105 Ca -0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 2w3k s VAL 105 Cb -0.04 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2w3k s VAL 105 CO -0.00 0.53 -0.12 -0.76 0.00 0.00 0.00 175.10 174.75 2w3k s LEU 106 N -0.78 2.70 -0.19 3.92 1.43 -0.19 -0.52 118.68 125.04 2w3k s LEU 106 Ca 0.11 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 2w3k s LEU 106 Cb -0.10 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2w3k s LEU 106 CO -0.00 0.11 0.34 -0.60 0.23 0.00 0.00 176.35 176.43 2w3k s ARG 107 N 0.71 4.19 0.47 1.70 6.06 -0.44 -1.38 118.95 130.25 2w3k s ARG 107 Ca -0.06 0.12 -0.13 0.00 -2.50 0.00 0.00 55.73 53.16 2w3k s ARG 107 Cb -0.15 -3.50 -0.07 0.00 0.06 0.00 0.00 34.95 31.29 2w3k s ARG 107 CO 0.02 0.06 0.88 -0.51 -2.50 0.00 0.00 175.30 173.25 2w3k s LEU 108 N 1.01 3.71 0.22 -0.88 1.43 0.12 -0.22 118.68 124.06 2w3k s LEU 108 Ca 0.17 1.35 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 2w3k s LEU 108 Cb -0.14 -4.26 0.20 0.00 0.03 0.00 0.00 46.19 42.02 2w3k s LEU 108 CO 0.06 -0.51 1.53 0.11 0.23 0.00 0.00 176.35 177.78 2w3k h LYS 109 N 1.03 0.29 -5.50 1.70 1.57 -1.33 -3.41 116.57 110.92 2w3k h LYS 109 Ca -0.47 -0.21 -0.44 0.00 -1.87 0.00 0.00 60.65 57.66 2w3k h LYS 109 Cb 1.19 0.03 -0.22 0.00 0.08 0.00 0.00 32.23 33.31 2w3k h LYS 109 CO 0.63 0.82 -0.79 0.95 -0.57 0.00 0.00 179.45 180.49 2w3k s THR 110 N -3.75 1.23 0.43 -0.16 -4.23 -1.26 -5.02 115.64 102.88 2w3k s THR 110 Ca -0.05 -1.34 -0.22 0.00 -1.18 0.00 0.00 61.69 58.91 2w3k s THR 110 Cb 0.12 -1.16 -0.10 0.00 1.34 0.00 0.00 72.50 72.70 2w3k s THR 110 CO 0.81 -0.18 0.99 -2.16 -0.54 0.00 0.00 174.62 173.54 2w3k s PRO 111 N -1.75 4.13 0.29 3.99 0.04 -1.26 -4.85 135.00 135.58 2w3k s PRO 111 Ca -0.00 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 2w3k s PRO 111 Cb -0.10 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 2w3k s PRO 111 CO 0.03 -0.13 1.24 0.42 0.04 0.00 0.00 177.00 178.59 2w3k s ILE 112 N -1.98 3.06 -0.40 0.56 1.01 0.16 -5.00 121.20 118.62 2w3k s ILE 112 Ca 0.62 1.03 -0.18 0.00 0.00 0.00 0.00 60.65 62.11 2w3k s ILE 112 Cb -0.14 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.69 2w3k s ILE 112 CO 0.18 0.23 0.51 -0.89 0.00 0.00 0.00 174.94 174.97 2w3k s THR 113 N -0.88 5.00 0.27 2.92 2.01 -1.26 -4.77 115.64 118.94 2w3k s THR 113 Ca 0.49 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 2w3k s THR 113 Cb -0.37 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.01 2w3k s THR 113 CO 0.46 -0.38 1.18 -0.36 -0.69 0.00 0.00 174.62 174.83 2w3k s PHE 114 N 2.38 3.40 0.06 4.92 0.08 -1.26 -4.90 117.98 122.67 2w3k s PHE 114 Ca 0.17 1.56 -0.04 0.00 0.12 0.00 0.00 56.93 58.74 2w3k s PHE 114 Cb -0.16 -3.43 0.01 0.00 -0.57 0.00 0.00 43.02 38.88 2w3k s PHE 114 CO 0.15 -1.05 0.20 2.89 -0.10 0.00 0.00 175.22 177.31 2w3k n ARG 115 N 1.36 0.19 -1.64 0.44 1.85 -0.28 -5.00 116.66 113.59 2w3k n ARG 115 Ca 0.00 -0.39 -0.51 0.00 -1.00 0.00 0.00 57.85 55.96 2w3k n ARG 115 Cb 0.44 0.51 -0.05 0.00 -1.05 0.00 0.00 32.46 32.30 2w3k n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 2w3k n MET 116 N -0.14 1.53 -0.94 2.89 0.00 -1.26 -0.77 117.12 118.43 2w3k n MET 116 Ca -0.01 0.55 0.00 0.00 -0.00 0.00 0.00 57.70 58.24 2w3k n MET 116 Cb 0.13 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 31.09 2w3k n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2w3k n ASN 117 N 3.45 -2.98 -3.62 6.12 3.02 -1.26 -4.94 115.26 115.05 2w3k n ASN 117 Ca 0.19 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.46 2w3k n ASN 117 Cb 0.22 -1.53 -0.16 0.00 -0.61 0.00 0.00 39.78 37.71 2w3k n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2w3k s VAL 118 N -1.94 0.17 0.03 2.41 1.01 0.05 -3.99 120.40 118.13 2w3k s VAL 118 Ca 0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 2w3k s VAL 118 Cb 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.47 2w3k s VAL 118 CO 0.00 -0.53 0.71 0.00 0.00 0.00 0.00 175.10 175.29 2w3k s ALA 119 N 2.00 -1.73 0.51 5.51 0.00 -0.61 -1.13 121.76 126.32 2w3k s ALA 119 Ca 0.06 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 2w3k s ALA 119 Cb -0.16 0.35 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 2w3k s ALA 119 CO -0.24 -0.57 0.95 -1.25 0.00 0.00 0.00 175.76 174.65 2w3k s PRO 120 N -2.50 3.83 0.32 0.00 0.04 -1.26 -2.65 135.00 132.78 2w3k s PRO 120 Ca -0.03 0.79 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 2w3k s PRO 120 Cb -0.01 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 2w3k s PRO 120 CO -0.03 -0.28 0.69 0.00 0.04 0.00 0.00 177.00 177.42 2w3k s ALA 121 N -2.69 3.40 0.22 8.56 0.00 -0.73 -4.85 121.76 125.67 2w3k s ALA 121 Ca 0.56 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2w3k s ALA 121 Cb -0.10 -2.64 -0.09 0.00 0.00 0.00 0.00 23.12 20.29 2w3k s ALA 121 CO 0.36 0.28 0.92 0.00 0.00 0.00 0.00 175.76 177.32 2w3k s LEU 123 N -1.09 4.29 0.72 0.00 1.43 -1.26 -0.37 118.68 122.40 2w3k s LEU 123 Ca 0.41 1.17 -0.05 0.00 -1.03 0.00 0.00 54.13 54.63 2w3k s LEU 123 Cb -0.25 -3.09 0.10 0.00 0.03 0.00 0.00 46.19 42.98 2w3k s LEU 123 CO 0.31 -0.15 1.01 -2.16 0.23 0.00 0.00 176.35 175.59 2w3k s PRO 124 N 0.98 1.82 0.35 1.29 0.04 -1.26 -4.98 135.00 133.24 2w3k s PRO 124 Ca 0.37 -0.69 -0.16 0.00 0.04 0.00 0.00 61.00 60.56 2w3k s PRO 124 Cb -0.18 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 2w3k s PRO 124 CO 0.17 -1.41 0.78 -1.21 0.04 0.00 0.00 177.00 175.37 2w3k s GLU 124 N -5.23 4.05 0.06 4.56 2.02 -1.26 -4.97 118.70 117.94 2w3k s GLU 124 Ca 0.64 0.77 -0.37 0.00 0.02 0.00 0.00 54.97 56.03 2w3k s GLU 124 Cb -0.08 -2.37 -0.20 0.00 0.10 0.00 0.00 34.13 31.58 2w3k s GLU 124 CO 0.45 0.11 1.58 -0.09 0.02 0.00 0.00 175.26 177.33 2w3k h ARG 125 N 2.16 -1.24 -0.22 1.61 2.43 -1.98 -0.89 114.38 116.24 2w3k h ARG 125 Ca -0.48 0.08 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 2w3k h ARG 125 Cb 1.18 0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 2w3k h ARG 125 CO 0.64 -0.83 0.12 -0.44 -1.51 0.00 0.00 179.97 177.96 2w3k h ASP 126 N -1.29 0.19 -0.41 -3.80 3.32 -1.95 -1.05 116.42 111.43 2w3k h ASP 126 Ca -0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2w3k h ASP 126 Cb 1.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2w3k h ASP 126 CO 0.20 0.14 0.26 -0.25 -1.72 0.00 0.00 179.24 177.87 2w3k h TRP 127 N 0.25 0.54 -0.49 4.55 7.01 -1.98 -0.04 115.95 125.79 2w3k h TRP 127 Ca 0.09 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.13 2w3k h TRP 127 Cb 0.01 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 2w3k h TRP 127 CO -0.08 0.37 0.25 0.00 -2.79 0.00 0.00 178.44 176.19 2w3k h ALA 128 N 1.13 0.62 -0.65 2.65 0.00 -0.87 0.55 119.26 122.69 2w3k h ALA 128 Ca 0.15 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2w3k h ALA 128 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2w3k h ALA 128 CO -0.03 -0.09 0.06 0.93 0.00 0.00 0.00 179.25 180.12 2w3k h GLU 129 N 0.50 1.10 -0.14 0.00 5.08 -0.91 0.57 114.58 120.79 2w3k h GLU 129 Ca 0.21 -0.32 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 2w3k h GLU 129 Cb 0.11 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.25 2w3k h GLU 129 CO -0.14 1.03 -0.76 0.77 -1.00 0.00 0.00 179.01 178.91 2w3k h SER 130 N 1.02 0.83 0.00 1.42 0.02 -0.70 -3.36 113.55 112.77 2w3k h SER 130 Ca 0.19 -0.54 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 2w3k h SER 130 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2w3k h SER 130 CO 0.02 1.32 -1.38 0.41 -1.14 0.00 0.00 176.83 176.07 2w3k n THR 131 N -3.91 0.38 -0.06 -2.27 -1.04 0.19 -4.46 114.28 103.11 2w3k n THR 131 Ca -0.07 -0.19 -0.21 0.00 -2.04 0.00 0.00 64.05 61.54 2w3k n THR 131 Cb 0.74 -0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 68.31 2w3k n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2w3k h LEU 131 N 0.00 0.14 -0.00 -4.42 4.07 -1.01 -3.36 115.31 110.73 2w3k h LEU 131 Ca -0.15 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.14 2w3k h LEU 131 Cb 1.29 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.98 2w3k h LEU 131 CO -0.01 1.57 -0.08 0.23 -1.08 0.00 0.00 178.44 179.07 2w3k n MET 131 N -4.17 0.01 0.01 1.13 2.81 -0.35 -1.85 117.12 114.71 2w3k n MET 131 Ca -0.30 -0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.71 2w3k n MET 131 Cb 0.78 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 32.14 2w3k n MET 131 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2w3k n THR 132 N -1.49 0.03 -0.72 2.03 -1.04 -1.26 -4.93 114.28 106.90 2w3k n THR 132 Ca 0.07 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.74 2w3k n THR 132 Cb 0.34 0.01 0.15 0.00 -1.82 0.00 0.00 70.33 69.01 2w3k n THR 132 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2w3k n GLN 133 N -1.56 -0.47 -0.15 -2.82 -0.06 -0.77 -4.95 117.38 106.61 2w3k n GLN 133 Ca 0.06 -0.08 -0.10 0.00 -2.00 0.00 0.00 57.00 54.88 2w3k n GLN 133 Cb 0.35 -2.13 -0.01 0.00 -4.06 0.00 0.00 30.24 24.39 2w3k n GLN 133 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2w3k h LYS 134 N -1.78 0.72 -4.13 3.69 1.57 -1.92 -3.42 116.57 111.30 2w3k h LYS 134 Ca -0.44 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.03 2w3k h LYS 134 Cb 1.28 -0.08 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 2w3k h LYS 134 CO 0.38 0.75 -0.61 0.95 -0.57 0.00 0.00 179.45 180.35 2w3k s THR 135 N -5.19 0.20 0.39 -0.16 -4.23 -1.26 -1.33 115.64 104.06 2w3k s THR 135 Ca -0.13 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 2w3k s THR 135 Cb 0.10 -1.45 0.01 0.00 1.34 0.00 0.00 72.50 72.50 2w3k s THR 135 CO 0.79 -0.91 0.04 0.61 -0.54 0.00 0.00 174.62 174.61 2w3k n GLY 136 N 0.11 3.60 2.99 3.99 0.00 -0.35 -4.70 105.19 110.82 2w3k n GLY 136 Ca -0.14 -2.32 -0.26 0.00 0.00 0.00 0.00 46.02 43.29 2w3k n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2w3k s ILE 137 N -2.33 1.17 0.09 -0.61 1.01 0.90 -0.46 121.20 120.96 2w3k s ILE 137 Ca 0.03 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.30 2w3k s ILE 137 Cb -0.00 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2w3k s ILE 137 CO 0.02 0.37 -0.09 0.54 0.00 0.00 0.00 174.94 175.78 2w3k s VAL 138 N 1.08 3.43 0.09 2.92 0.11 0.36 -0.85 120.40 127.53 2w3k s VAL 138 Ca -0.06 -1.18 -0.09 0.00 -2.93 0.00 0.00 61.98 57.72 2w3k s VAL 138 Cb -0.14 -2.58 -0.00 0.00 -1.53 0.00 0.00 36.38 32.12 2w3k s VAL 138 CO -0.02 0.16 0.20 -0.94 -3.33 0.00 0.00 175.10 171.17 2w3k s SER 139 N -2.07 0.10 0.00 3.54 1.04 -1.16 0.31 113.70 115.46 2w3k s SER 139 Ca 0.21 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2w3k s SER 139 Cb -0.11 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2w3k s SER 139 CO 0.13 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2w3k n GLY 140 N -0.03 -0.22 1.57 7.32 0.00 -0.54 -4.32 105.19 108.97 2w3k n GLY 140 Ca -0.15 -1.21 0.09 0.00 0.00 0.00 0.00 46.02 44.75 2w3k n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2w3k n PHE 141 N -0.81 1.48 -0.58 1.61 3.72 -1.26 -2.22 117.46 119.41 2w3k n PHE 141 Ca 0.00 -0.58 -0.07 0.00 -0.05 0.00 0.00 57.45 56.75 2w3k n PHE 141 Cb 0.00 -0.26 0.06 0.00 -0.94 0.00 0.00 39.48 38.34 2w3k n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2w3k n GLY 142 N 1.06 -2.64 3.77 1.37 0.00 -1.26 0.28 105.19 107.77 2w3k n GLY 142 Ca 0.25 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 2w3k n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3k s ARG 143 N -3.60 3.97 0.03 1.61 0.52 -0.56 -1.88 118.95 119.04 2w3k s ARG 143 Ca 0.17 1.89 0.23 0.00 -0.52 0.00 0.00 55.73 57.50 2w3k s ARG 143 Cb -0.02 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 2w3k s ARG 143 CO 0.13 -0.41 0.98 0.25 0.02 0.00 0.00 175.30 176.27 2w3k n THR 144 N -0.03 0.12 -3.79 0.02 -2.24 -1.25 -1.33 114.28 105.78 2w3k n THR 144 Ca 0.05 -0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2w3k n THR 144 Cb 0.46 0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.88 2w3k n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2w3k s HIS 145 N -3.18 -0.18 0.00 4.78 3.76 -1.26 -4.21 115.29 115.00 2w3k s HIS 145 Ca 0.04 0.47 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 2w3k s HIS 145 Cb 0.15 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.85 2w3k s HIS 145 CO 0.82 -0.12 0.00 -1.91 -0.85 0.00 0.00 174.74 172.68 2w3k n GLU 147 N 3.47 0.00 0.00 1.40 2.13 -1.26 -1.41 120.64 124.97 2w3k n GLU 147 Ca -0.18 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.78 2w3k n GLU 147 Cb 0.56 0.00 0.60 0.00 0.27 0.00 0.00 31.44 32.87 2w3k n GLU 147 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2w3k n LYS 148 N -3.94 0.97 -0.84 5.31 5.02 -1.26 -4.94 118.16 118.48 2w3k n LYS 148 Ca 0.00 -0.40 -0.14 0.00 -2.02 0.00 0.00 58.31 55.75 2w3k n LYS 148 Cb 0.00 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.62 2w3k n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3k n GLY 149 N 1.23 -1.41 3.98 0.72 0.00 -0.50 -5.09 105.19 104.12 2w3k n GLY 149 Ca 0.16 -1.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 2w3k n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w3k s ARG 150 N -4.33 3.18 0.28 1.61 3.52 -1.26 -4.89 118.95 117.05 2w3k s ARG 150 Ca 0.35 -0.92 -0.30 0.00 -0.13 0.00 0.00 55.73 54.73 2w3k s ARG 150 Cb -0.01 -2.81 -0.13 0.00 -1.56 0.00 0.00 34.95 30.44 2w3k s ARG 150 CO 0.24 0.10 1.38 0.94 -0.81 0.00 0.00 175.30 177.15 2w3k n GLN 151 N -1.64 2.11 -2.28 5.12 -0.06 -1.26 -3.85 117.38 115.52 2w3k n GLN 151 Ca -0.02 0.75 -0.40 0.00 -2.00 0.00 0.00 57.00 55.33 2w3k n GLN 151 Cb 0.58 -2.38 -0.03 0.00 -4.06 0.00 0.00 30.24 24.35 2w3k n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2w3k s SER 152 N 0.09 6.84 0.07 1.69 0.15 0.14 -4.91 113.70 117.78 2w3k s SER 152 Ca 0.63 2.45 -0.01 0.00 0.70 0.00 0.00 55.95 59.72 2w3k s SER 152 Cb -0.61 -2.63 -0.26 0.00 -1.71 0.00 0.00 66.02 60.80 2w3k s SER 152 CO 0.54 -0.46 1.11 0.74 1.20 0.00 0.00 173.24 176.37 2w3k h THR 153 N 2.81 1.48 -3.24 6.45 2.02 -1.90 -3.44 112.91 117.08 2w3k h THR 153 Ca -0.48 -3.10 -0.65 0.00 0.77 0.00 0.00 66.41 62.95 2w3k h THR 153 Cb 1.22 2.88 -0.11 0.00 -1.74 0.00 0.00 68.15 70.40 2w3k h THR 153 CO 0.65 0.89 -0.62 -0.13 0.37 0.00 0.00 175.52 176.68 2w3k s ARG 154 N -2.66 2.85 0.02 6.66 1.81 -1.26 -0.38 118.95 125.99 2w3k s ARG 154 Ca -0.04 -0.63 -0.30 0.00 -1.72 0.00 0.00 55.73 53.04 2w3k s ARG 154 Cb 0.08 -2.72 -0.05 0.00 -0.45 0.00 0.00 34.95 31.81 2w3k s ARG 154 CO 0.86 0.60 1.31 -1.17 -0.68 0.00 0.00 175.30 176.22 2w3k s LEU 155 N -1.94 4.33 0.28 2.53 2.96 -0.30 -4.63 118.68 121.90 2w3k s LEU 155 Ca 0.24 2.06 0.12 0.00 -0.22 0.00 0.00 54.13 56.32 2w3k s LEU 155 Cb -0.12 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 2w3k s LEU 155 CO 0.16 -0.62 -0.17 -0.54 -1.32 0.00 0.00 176.35 173.86 2w3k s LYS 156 N 1.84 1.78 0.10 1.98 1.02 -0.94 -0.92 119.74 124.60 2w3k s LYS 156 Ca 0.61 -1.71 0.04 0.00 0.02 0.00 0.00 55.97 54.93 2w3k s LYS 156 Cb -0.30 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 2w3k s LYS 156 CO 0.27 0.33 -0.11 0.00 -0.92 0.00 0.00 175.35 174.92 2w3k s MET 157 N -3.54 0.86 -0.09 1.68 0.23 0.15 -1.46 119.30 117.13 2w3k s MET 157 Ca 0.30 -1.13 -0.04 0.00 -1.03 0.00 0.00 55.69 53.80 2w3k s MET 157 Cb -0.05 -0.63 0.04 0.00 -1.53 0.00 0.00 34.83 32.66 2w3k s MET 157 CO 0.16 0.11 0.19 -1.17 -2.03 0.00 0.00 175.02 172.28 2w3k s LEU 158 N -2.31 0.42 -0.10 0.18 0.20 0.15 -0.78 118.68 116.43 2w3k s LEU 158 Ca 0.04 0.40 -0.30 0.00 0.69 0.00 0.00 54.13 54.96 2w3k s LEU 158 Cb -0.05 0.49 -0.03 0.00 -0.43 0.00 0.00 46.19 46.17 2w3k s LEU 158 CO 0.01 -0.18 1.26 -1.61 -0.29 0.00 0.00 176.35 175.54 2w3k s GLU 159 N 1.48 4.29 -0.19 1.98 2.02 -1.26 -0.49 118.70 126.53 2w3k s GLU 159 Ca -0.06 1.70 0.01 0.00 0.02 0.00 0.00 54.97 56.64 2w3k s GLU 159 Cb -0.11 -3.66 0.03 0.00 0.10 0.00 0.00 34.13 30.49 2w3k s GLU 159 CO -0.07 -0.58 -0.15 0.14 0.02 0.00 0.00 175.26 174.62 2w3k s VAL 160 N 2.85 1.83 0.36 2.63 -7.23 0.39 -4.96 120.40 116.27 2w3k s VAL 160 Ca 0.56 -0.97 -0.27 0.00 -1.81 0.00 0.00 61.98 59.49 2w3k s VAL 160 Cb -0.24 -1.78 -0.12 0.00 0.56 0.00 0.00 36.38 34.81 2w3k s VAL 160 CO 0.19 0.34 1.22 -2.65 -0.31 0.00 0.00 175.10 173.90 2w3k n PRO 161 N 4.65 1.91 -2.15 4.82 -0.02 -1.26 -1.22 135.00 141.74 2w3k n PRO 161 Ca -0.17 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 2w3k n PRO 161 Cb 0.48 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 2w3k n PRO 161 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2w3k s TYR 162 N -1.14 3.10 -0.14 6.00 2.02 -0.44 -1.50 117.35 125.26 2w3k s TYR 162 Ca 0.58 1.41 -0.01 0.00 -0.37 0.00 0.00 57.07 58.68 2w3k s TYR 162 Cb -0.57 -3.65 -0.02 0.00 -0.40 0.00 0.00 41.96 37.33 2w3k s TYR 162 CO 0.60 -1.79 -0.10 0.08 -1.57 0.00 0.00 175.55 172.78 2w3k s VAL 163 N -1.02 3.33 0.17 0.71 1.01 -0.97 -4.91 120.40 118.71 2w3k s VAL 163 Ca 0.49 -0.56 -0.32 0.00 0.00 0.00 0.00 61.98 61.59 2w3k s VAL 163 Cb -0.39 -2.42 -0.16 0.00 0.00 0.00 0.00 36.38 33.41 2w3k s VAL 163 CO 0.51 0.51 1.03 -0.67 0.00 0.00 0.00 175.10 176.48 2w3k n ASP 164 N 3.55 0.73 0.04 3.32 2.03 -1.26 -4.62 116.55 120.34 2w3k n ASP 164 Ca -0.18 1.15 -0.06 0.00 0.52 0.00 0.00 54.79 56.22 2w3k n ASP 164 Cb 0.53 -1.14 0.13 0.00 -0.72 0.00 0.00 41.12 39.92 2w3k n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2w3k h ARG 165 N 2.78 0.41 -0.09 -0.67 2.43 -1.98 -1.75 114.38 115.51 2w3k h ARG 165 Ca -0.41 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 58.50 2w3k h ARG 165 Cb 1.37 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 2w3k h ARG 165 CO 0.66 0.79 -0.07 -0.91 -1.51 0.00 0.00 179.97 178.93 2w3k h ASN 166 N 0.34 0.23 -0.79 -3.80 2.35 -1.99 -1.31 115.58 110.61 2w3k h ASN 166 Ca 0.02 -0.46 0.16 0.00 -0.55 0.00 0.00 56.30 55.48 2w3k h ASN 166 Cb 0.94 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.20 2w3k h ASN 166 CO 0.08 0.64 0.53 -1.28 -1.65 0.00 0.00 177.43 175.75 2w3k h SER 167 N -0.18 0.38 0.63 5.81 0.87 -1.90 -1.35 113.55 117.82 2w3k h SER 167 Ca 0.02 0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.39 2w3k h SER 167 Cb 0.57 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 2w3k h SER 167 CO 0.02 0.18 -1.51 0.00 -0.53 0.00 0.00 176.83 174.99 2w3k h LYS 169 N 0.00 1.07 -0.89 0.00 1.57 -0.67 -2.89 116.57 114.75 2w3k h LYS 169 Ca -0.21 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2w3k h LYS 169 Cb 1.75 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.81 2w3k h LYS 169 CO 0.06 0.79 0.48 -0.07 -0.57 0.00 0.00 179.45 180.14 2w3k h LEU 170 N 1.06 1.13 -0.35 2.94 3.38 -1.34 -3.06 115.31 119.07 2w3k h LEU 170 Ca 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2w3k h LEU 170 Cb 0.04 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2w3k h LEU 170 CO -0.04 0.91 0.00 0.77 0.09 0.00 0.00 178.44 180.17 2w3k h SER 171 N 1.25 0.00 -2.89 -0.43 4.64 -1.46 -3.46 113.55 111.20 2w3k h SER 171 Ca 0.31 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 61.00 2w3k h SER 171 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 2w3k h SER 171 CO -0.05 0.00 -0.29 -0.55 -0.87 0.00 0.00 176.83 175.07 2w3k s SER 172 N -4.87 6.67 0.05 4.97 0.15 -1.11 -4.76 113.70 114.81 2w3k s SER 172 Ca 0.07 0.80 0.27 0.00 0.70 0.00 0.00 55.95 57.80 2w3k s SER 172 Cb 0.10 -2.19 0.94 0.00 -1.71 0.00 0.00 66.02 63.16 2w3k s SER 172 CO 0.55 0.35 1.75 -1.20 1.20 0.00 0.00 173.24 175.89 2w3k n SER 173 N 1.88 0.31 -4.43 5.45 7.64 -1.26 -4.86 113.62 118.34 2w3k n SER 173 Ca -0.16 0.33 -0.22 0.00 1.01 0.00 0.00 58.87 59.83 2w3k n SER 173 Cb 0.53 -0.35 -0.10 0.00 -1.01 0.00 0.00 64.21 63.29 2w3k n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2w3k s PHE 174 N -3.03 2.09 0.01 1.43 0.08 -1.26 -5.10 117.98 112.19 2w3k s PHE 174 Ca 0.12 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 2w3k s PHE 174 Cb 0.17 -0.97 -0.07 0.00 -0.57 0.00 0.00 43.02 41.58 2w3k s PHE 174 CO 0.59 0.56 1.64 0.42 -0.10 0.00 0.00 175.22 178.33 2w3k s ILE 175 N -2.70 3.36 -0.44 0.64 -1.09 -1.26 -4.96 121.20 114.74 2w3k s ILE 175 Ca 0.28 0.64 -0.24 0.00 -2.23 0.00 0.00 60.65 59.09 2w3k s ILE 175 Cb -0.02 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 2w3k s ILE 175 CO 0.12 -0.03 0.87 -0.63 -1.23 0.00 0.00 174.94 174.04 2w3k s ILE 176 N 3.31 4.56 0.76 2.92 -1.09 -1.26 -5.04 121.20 125.36 2w3k s ILE 176 Ca 0.73 0.69 -0.11 0.00 -2.23 0.00 0.00 60.65 59.73 2w3k s ILE 176 Cb -0.36 -4.37 0.06 0.00 -1.58 0.00 0.00 42.46 36.21 2w3k s ILE 176 CO 0.31 -0.74 1.12 0.42 -1.23 0.00 0.00 174.94 174.82 2w3k s THR 177 N 3.52 2.37 0.54 2.92 -4.23 -1.26 -4.96 115.64 114.54 2w3k s THR 177 Ca 0.34 0.02 0.30 0.00 -1.18 0.00 0.00 61.69 61.17 2w3k s THR 177 Cb -0.11 -3.10 0.45 0.00 1.34 0.00 0.00 72.50 71.09 2w3k s THR 177 CO 0.24 -0.12 1.91 0.06 -0.54 0.00 0.00 174.62 176.17 2w3k h GLN 178 N -0.86 0.00 -0.20 3.99 -0.00 -2.03 -2.36 115.11 113.64 2w3k h GLN 178 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2w3k h GLN 178 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2w3k h GLN 178 CO 0.64 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.56 2w3k n ASN 179 N -4.23 1.39 -4.39 0.06 3.02 -1.26 -4.87 115.26 104.99 2w3k n ASN 179 Ca 0.16 -1.82 -0.26 0.00 -0.03 0.00 0.00 54.58 52.63 2w3k n ASN 179 Cb 0.86 -0.13 -0.12 0.00 -0.61 0.00 0.00 39.78 39.78 2w3k n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2w3k s MET 180 N -1.73 1.42 0.13 3.52 -1.94 -0.89 -0.63 119.30 119.18 2w3k s MET 180 Ca 0.25 -1.46 0.01 0.00 -1.71 0.00 0.00 55.69 52.78 2w3k s MET 180 Cb 0.13 -1.69 -0.04 0.00 2.01 0.00 0.00 34.83 35.24 2w3k s MET 180 CO 0.19 0.37 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.97 2w3k s PHE 181 N -1.67 0.95 0.01 -0.03 -0.12 0.26 -4.76 117.98 112.62 2w3k s PHE 181 Ca 0.18 -1.05 0.02 0.00 -0.05 0.00 0.00 56.93 56.03 2w3k s PHE 181 Cb -0.08 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 2w3k s PHE 181 CO 0.08 -0.29 0.01 0.00 -0.05 0.00 0.00 175.22 174.97 2w3k s ALA 183 N -1.12 -0.71 0.00 0.00 0.00 -0.47 -2.30 121.76 117.17 2w3k s ALA 183 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.08 2w3k s ALA 183 Cb -0.12 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2w3k s ALA 183 CO 0.11 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2w3k n GLY 184 N 0.24 0.26 3.26 0.00 0.00 -0.56 -0.79 105.19 107.59 2w3k n GLY 184 Ca -0.17 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.57 2w3k n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w3k s TYR 185 N 0.00 1.63 0.01 1.61 2.02 -1.26 -4.20 117.35 117.16 2w3k s TYR 185 Ca 0.00 -0.45 -0.23 0.00 -0.37 0.00 0.00 57.07 56.02 2w3k s TYR 185 Cb 0.00 -0.88 -0.13 0.00 -0.40 0.00 0.00 41.96 40.56 2w3k s TYR 185 CO 0.00 0.18 1.04 0.22 -1.57 0.00 0.00 175.55 175.42 2w3k h ASP 185 N 3.94 -0.70 0.00 2.29 3.58 -1.92 -3.42 116.42 120.19 2w3k h ASP 185 Ca -0.44 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 56.92 2w3k h ASP 185 Cb 1.19 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.40 2w3k h ASP 185 CO 0.43 -0.37 -1.43 0.35 -2.88 0.00 0.00 179.24 175.34 2w3k n THR 185 N -4.95 0.43 -1.70 2.25 -2.24 -1.26 -1.53 114.28 105.27 2w3k n THR 185 Ca -0.10 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 2w3k n THR 185 Cb 0.32 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.73 2w3k n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2w3k n LYS 186 N -2.42 2.22 -1.94 -0.78 4.81 -1.26 -4.76 118.16 114.04 2w3k n LYS 186 Ca -0.11 0.78 -0.41 0.00 -0.87 0.00 0.00 58.31 57.70 2w3k n LYS 186 Cb 0.68 -2.43 -0.00 0.00 0.02 0.00 0.00 35.03 33.30 2w3k n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2w3k n GLN 187 N 1.21 3.71 -3.84 1.64 1.13 -1.26 -4.73 117.38 115.25 2w3k n GLN 187 Ca 0.07 -3.08 -0.13 0.00 -1.94 0.00 0.00 57.00 51.92 2w3k n GLN 187 Cb 0.35 -2.91 -0.14 0.00 0.11 0.00 0.00 30.24 27.65 2w3k n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2w3k s GLU 188 N 0.91 0.03 -0.25 -1.09 2.02 -1.26 -4.22 118.70 114.84 2w3k s GLU 188 Ca 0.50 0.09 -0.37 0.00 0.02 0.00 0.00 54.97 55.21 2w3k s GLU 188 Cb 0.14 -0.04 0.15 0.00 0.10 0.00 0.00 34.13 34.48 2w3k s GLU 188 CO -0.05 -0.05 1.34 0.34 0.02 0.00 0.00 175.26 176.86 2w3k s ASP 189 N 0.29 -0.05 0.98 -0.19 -1.08 -0.94 -4.33 116.67 111.36 2w3k s ASP 189 Ca -0.02 -0.00 -0.14 0.00 -0.52 0.00 0.00 52.55 51.87 2w3k s ASP 189 Cb -0.03 0.05 0.18 0.00 -1.46 0.00 0.00 42.92 41.66 2w3k s ASP 189 CO -0.01 -0.08 1.13 0.00 0.52 0.00 0.00 175.17 176.73 2w3k s ALA 190 N -2.15 1.40 0.33 3.66 0.00 -1.26 0.11 121.76 123.85 2w3k s ALA 190 Ca 0.11 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 2w3k s ALA 190 Cb -0.00 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.12 2w3k s ALA 190 CO -0.03 -2.65 0.52 0.00 0.00 0.00 0.00 175.76 173.60 2w3k n GLN 192 N -0.51 2.08 0.00 0.00 7.27 -1.26 -1.61 117.38 123.35 2w3k n GLN 192 Ca -0.02 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.78 2w3k n GLN 192 Cb 0.53 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.84 2w3k n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2w3k n GLY 193 N 1.38 3.19 0.15 1.69 0.00 -1.26 -1.49 105.19 108.84 2w3k n GLY 193 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2w3k n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2w3k h ASP 194 N 0.00 0.00 -1.66 1.61 3.32 -1.60 -3.33 116.42 114.75 2w3k h ASP 194 Ca 0.00 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 56.36 2w3k h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 2w3k h ASP 194 CO 0.00 0.01 0.01 -1.20 -1.72 0.00 0.00 179.24 176.35 2w3k n SER 195 N -2.69 0.49 0.00 6.45 7.64 -1.25 -1.24 113.62 123.02 2w3k n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2w3k n SER 195 Cb 0.50 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2w3k n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2w3k n GLY 196 N 1.80 2.29 3.94 0.23 0.00 0.43 0.30 105.19 114.17 2w3k n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2w3k n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w3k s GLY 197 N -1.94 1.76 0.17 -0.02 0.00 -0.38 -3.04 107.32 103.88 2w3k s GLY 197 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 44.72 43.21 2w3k s GLY 197 CO 0.00 -0.50 1.15 2.56 0.00 0.00 0.00 173.10 176.31 2w3k s PRO 198 N -5.75 4.54 -0.22 2.90 0.04 -1.26 -1.68 135.00 133.57 2w3k s PRO 198 Ca 0.71 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 2w3k s PRO 198 Cb -0.05 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2w3k s PRO 198 CO 0.51 -0.02 -0.08 -1.58 0.04 0.00 0.00 177.00 175.87 2w3k s HIS 199 N -0.08 2.93 0.11 0.56 2.46 -0.77 -2.98 115.29 117.52 2w3k s HIS 199 Ca 0.51 -1.19 0.08 0.00 0.47 0.00 0.00 55.06 54.93 2w3k s HIS 199 Cb -0.31 -2.06 -0.04 0.00 -0.13 0.00 0.00 32.58 30.05 2w3k s HIS 199 CO 0.35 -0.64 -0.20 0.14 -2.47 0.00 0.00 174.74 171.93 2w3k s VAL 200 N 1.41 1.66 -0.10 0.89 -7.23 -0.03 -0.81 120.40 116.18 2w3k s VAL 200 Ca 0.05 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2w3k s VAL 200 Cb -0.14 -1.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 2w3k s VAL 200 CO -0.06 -0.13 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.48 2w3k s THR 201 N -1.33 2.11 -0.01 5.32 2.01 0.00 -0.07 115.64 123.67 2w3k s THR 201 Ca 0.07 -1.00 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 2w3k s THR 201 Cb -0.09 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2w3k s THR 201 CO 0.04 0.56 0.77 -0.60 -0.69 0.00 0.00 174.62 174.70 2w3k s ARG 202 N 0.37 4.48 -0.08 4.92 3.52 -1.26 -1.04 118.95 129.85 2w3k s ARG 202 Ca -0.18 1.03 -0.03 0.00 -0.13 0.00 0.00 55.73 56.43 2w3k s ARG 202 Cb -0.18 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2w3k s ARG 202 CO 0.08 0.14 0.06 0.12 -0.81 0.00 0.00 175.30 174.89 2w3k s PHE 203 N 0.46 0.25 -1.38 5.12 5.36 0.50 -4.90 117.98 123.39 2w3k s PHE 203 Ca 0.40 -0.01 -0.06 0.00 -0.96 0.00 0.00 56.93 56.30 2w3k s PHE 203 Cb -0.19 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.87 2w3k s PHE 203 CO 0.22 -0.31 0.41 1.63 -1.46 0.00 0.00 175.22 175.71 2w3k n LYS 204 N 5.26 -2.24 -1.04 10.12 5.02 -1.26 -1.80 118.16 132.21 2w3k n LYS 204 Ca -0.05 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.54 2w3k n LYS 204 Cb 0.50 -4.09 -0.01 0.00 -0.02 0.00 0.00 35.03 31.41 2w3k n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2w3k n ASP 205 N -2.84 -4.71 -4.32 4.39 8.00 -1.26 -4.99 116.55 110.83 2w3k n ASP 205 Ca -0.27 0.04 -0.32 0.00 0.71 0.00 0.00 54.79 54.95 2w3k n ASP 205 Cb 0.66 -2.34 -0.16 0.00 -0.02 0.00 0.00 41.12 39.27 2w3k n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2w3k s THR 206 N -1.55 2.40 -0.24 -3.53 2.01 -0.75 -5.12 115.64 108.87 2w3k s THR 206 Ca 0.00 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.98 2w3k s THR 206 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2w3k s THR 206 CO 0.00 0.56 0.11 -0.31 -0.69 0.00 0.00 174.62 174.29 2w3k s TYR 207 N -0.12 3.19 -0.07 4.92 1.51 -1.26 -0.37 117.35 125.15 2w3k s TYR 207 Ca -0.04 -0.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 2w3k s TYR 207 Cb -0.14 -2.23 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 2w3k s TYR 207 CO 0.04 -0.11 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.26 2w3k s PHE 208 N 1.22 2.99 -0.06 2.71 0.08 -0.21 -2.46 117.98 122.26 2w3k s PHE 208 Ca 0.06 0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 2w3k s PHE 208 Cb -0.14 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2w3k s PHE 208 CO 0.05 0.36 1.24 0.54 -0.10 0.00 0.00 175.22 177.30 2w3k s VAL 209 N -0.80 4.18 0.00 -0.44 0.11 0.50 -0.82 120.40 123.13 2w3k s VAL 209 Ca 0.12 1.50 0.00 0.00 -2.93 0.00 0.00 61.98 60.68 2w3k s VAL 209 Cb -0.11 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 2w3k s VAL 209 CO 0.02 -0.01 0.00 0.35 -3.33 0.00 0.00 175.10 172.12 2w3k n THR 210 N 4.69 0.00 -3.78 5.04 -2.24 0.01 -4.58 114.28 113.42 2w3k n THR 210 Ca 0.12 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 2w3k n THR 210 Cb 0.46 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 2w3k n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2w3k s GLY 211 N -1.87 0.00 -0.14 3.38 0.00 -0.58 -2.53 107.32 105.58 2w3k s GLY 211 Ca 0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 2w3k s GLY 211 CO 0.00 -0.58 -0.14 -0.42 0.00 0.00 0.00 173.10 171.96 2w3k s ILE 212 N -3.86 2.87 0.00 0.90 1.01 -0.84 -1.84 121.20 119.44 2w3k s ILE 212 Ca 0.07 -0.71 -0.32 0.00 0.00 0.00 0.00 60.65 59.68 2w3k s ILE 212 Cb 0.03 -2.21 -0.11 0.00 0.01 0.00 0.00 42.46 40.18 2w3k s ILE 212 CO -0.09 0.52 1.90 0.52 0.00 0.00 0.00 174.94 177.78 2w3k n VAL 213 N 3.82 0.60 0.01 2.92 0.31 -0.68 -0.74 118.33 124.58 2w3k n VAL 213 Ca -0.19 -0.11 -0.01 0.00 -0.01 0.00 0.00 64.34 64.03 2w3k n VAL 213 Cb 0.52 -2.06 -0.00 0.00 -0.91 0.00 0.00 33.84 31.39 2w3k n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2w3k n SER 214 N 6.69 0.57 -3.79 4.52 2.88 -0.61 -0.43 113.62 123.45 2w3k n SER 214 Ca 0.21 0.08 -0.05 0.00 -1.33 0.00 0.00 58.87 57.77 2w3k n SER 214 Cb 0.35 -0.24 -0.02 0.00 -0.75 0.00 0.00 64.21 63.55 2w3k n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2w3k s TRP 215 N -1.53 -0.15 0.08 0.66 1.48 -0.46 -4.85 118.94 114.17 2w3k s TRP 215 Ca -0.03 -0.24 -0.26 0.00 -1.06 0.00 0.00 56.10 54.52 2w3k s TRP 215 Cb 0.00 0.68 0.08 0.00 -1.16 0.00 0.00 33.47 33.08 2w3k s TRP 215 CO 0.04 -1.04 0.74 0.20 -4.06 0.00 0.00 176.95 172.83 2w3k s GLY 216 N -2.94 -0.53 -0.98 3.67 0.00 -1.26 -0.43 107.32 104.85 2w3k s GLY 216 Ca 0.12 0.72 -0.16 0.00 0.00 0.00 0.00 44.72 45.39 2w3k s GLY 216 CO 0.05 0.24 1.13 -0.54 0.00 0.00 0.00 173.10 173.98 2w3k s GLU 217 N -3.45 3.73 2.53 2.90 2.02 -1.26 -4.85 118.70 120.33 2w3k s GLU 217 Ca 0.03 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.90 2w3k s GLU 217 Cb -0.01 -4.85 0.00 0.00 0.10 0.00 0.00 34.13 29.37 2w3k s GLU 217 CO -0.11 -1.67 0.00 0.41 0.02 0.00 0.00 175.26 173.92 2w3k n GLY 219 N 4.82 -0.15 2.94 -1.39 0.00 -1.26 -4.63 105.19 105.53 2w3k n GLY 219 Ca 0.25 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2w3k n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3k n ALA 221 N 3.74 -0.44 -1.77 0.00 0.00 -1.26 -4.58 120.51 116.20 2w3k n ALA 221 Ca -0.21 0.24 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 2w3k n ALA 221 Cb 0.54 -2.04 -0.05 0.00 0.00 0.00 0.00 19.45 17.90 2w3k n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2w3k s ARG 222 N -4.32 4.78 0.29 0.00 0.52 -1.26 -4.72 118.95 114.24 2w3k s ARG 222 Ca 0.00 1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 56.51 2w3k s ARG 222 Cb 0.00 -3.25 -0.12 0.00 0.52 0.00 0.00 34.95 32.10 2w3k s ARG 222 CO 0.00 0.40 1.54 1.63 0.02 0.00 0.00 175.30 178.89 2w3k n LYS 223 N 1.44 2.56 -1.10 3.54 5.02 -1.26 -1.45 118.16 126.92 2w3k n LYS 223 Ca -0.02 0.91 -0.03 0.00 -2.02 0.00 0.00 58.31 57.15 2w3k n LYS 223 Cb 0.46 -2.65 -0.01 0.00 -0.02 0.00 0.00 35.03 32.80 2w3k n LYS 223 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2w3k n GLY 223 N 1.95 0.59 3.05 0.72 0.00 -0.59 -5.01 105.19 105.90 2w3k n GLY 223 Ca 0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 2w3k n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3k s LYS 224 N -1.58 0.54 0.41 1.61 -0.14 -0.53 -4.76 119.74 115.30 2w3k s LYS 224 Ca 0.00 -0.63 0.07 0.00 -1.36 0.00 0.00 55.97 54.05 2w3k s LYS 224 Cb 0.00 -0.39 -0.07 0.00 -1.68 0.00 0.00 37.83 35.69 2w3k s LYS 224 CO 0.00 0.08 0.05 0.71 -0.76 0.00 0.00 175.35 175.43 2w3k s TYR 225 N -1.04 2.53 0.27 3.18 2.02 -1.26 -4.50 117.35 118.55 2w3k s TYR 225 Ca -0.06 -0.65 -0.28 0.00 -0.37 0.00 0.00 57.07 55.70 2w3k s TYR 225 Cb -0.08 -1.82 -0.09 0.00 -0.40 0.00 0.00 41.96 39.57 2w3k s TYR 225 CO 0.00 0.39 0.93 0.20 -1.57 0.00 0.00 175.55 175.50 2w3k s GLY 226 N -3.76 2.98 -0.16 0.71 0.00 0.03 -4.59 107.32 102.53 2w3k s GLY 226 Ca 0.36 0.56 -0.01 0.00 0.00 0.00 0.00 44.72 45.63 2w3k s GLY 226 CO 0.19 1.08 -0.10 -0.42 0.00 0.00 0.00 173.10 173.85 2w3k s ILE 227 N -1.35 3.19 -0.03 0.90 -1.09 0.43 -1.37 121.20 121.88 2w3k s ILE 227 Ca 0.44 -0.60 0.06 0.00 -2.23 0.00 0.00 60.65 58.32 2w3k s ILE 227 Cb -0.23 -2.37 -0.01 0.00 -1.58 0.00 0.00 42.46 38.27 2w3k s ILE 227 CO 0.28 0.50 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.98 2w3k s TYR 228 N 0.64 1.93 0.21 3.97 1.51 0.16 -1.36 117.35 124.42 2w3k s TYR 228 Ca -0.06 -0.47 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 2w3k s TYR 228 Cb -0.15 -1.27 -0.10 0.00 -0.11 0.00 0.00 41.96 40.34 2w3k s TYR 228 CO 0.03 -0.11 1.45 0.99 -1.11 0.00 0.00 175.55 176.80 2w3k s THR 229 N -0.26 2.77 -0.63 -0.71 2.01 0.08 -0.57 115.64 118.33 2w3k s THR 229 Ca 0.02 0.61 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 2w3k s THR 229 Cb -0.10 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 69.06 2w3k s THR 229 CO 0.01 0.08 1.12 -0.75 -0.69 0.00 0.00 174.62 174.39 2w3k s LYS 230 N 0.12 3.32 0.35 4.92 2.20 0.20 -1.99 119.74 128.86 2w3k s LYS 230 Ca 0.62 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 56.10 2w3k s LYS 230 Cb -0.41 -4.10 0.63 0.00 -1.51 0.00 0.00 37.83 32.44 2w3k s LYS 230 CO 0.39 -1.78 1.91 0.28 -0.36 0.00 0.00 175.35 175.79 2w3k h VAL 231 N 6.06 1.18 -0.08 4.02 2.07 -1.81 -1.92 116.25 125.76 2w3k h VAL 231 Ca -0.27 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.62 2w3k h VAL 231 Cb 1.06 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2w3k h VAL 231 CO 1.19 0.24 0.07 0.71 0.02 0.00 0.00 177.57 179.79 2w3k h THR 232 N 0.55 0.79 0.00 2.57 1.35 -1.90 0.44 112.91 116.71 2w3k h THR 232 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 2w3k h THR 232 Cb 0.24 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2w3k h THR 232 CO -0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 2w3k n ALA 233 N -2.47 1.74 -1.36 6.62 0.00 -0.72 -3.67 120.51 120.64 2w3k n ALA 233 Ca -0.01 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.57 2w3k n ALA 233 Cb 0.17 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.33 2w3k n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2w3k n PHE 234 N -2.24 0.00 -0.24 0.00 3.72 0.12 -4.84 117.46 113.99 2w3k n PHE 234 Ca 0.03 -0.77 -0.06 0.00 -0.05 0.00 0.00 57.45 56.60 2w3k n PHE 234 Cb 0.26 -0.13 0.09 0.00 -0.94 0.00 0.00 39.48 38.75 2w3k n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2w3k h LEU 235 N 0.08 1.02 -0.26 4.37 4.07 -1.57 0.19 115.31 123.20 2w3k h LEU 235 Ca -0.00 -0.19 -0.13 0.00 0.08 0.00 0.00 57.88 57.63 2w3k h LEU 235 Cb 1.12 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.59 2w3k h LEU 235 CO 0.00 0.96 -0.35 0.11 -1.08 0.00 0.00 178.44 178.07 2w3k h LYS 236 N 1.05 0.70 -0.86 1.13 6.56 -1.88 -1.91 116.57 121.35 2w3k h LYS 236 Ca 0.23 -0.40 0.03 0.00 -1.06 0.00 0.00 60.65 59.44 2w3k h LYS 236 Cb 0.31 0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.95 2w3k h LYS 236 CO -0.01 1.02 0.56 2.35 -2.06 0.00 0.00 179.45 181.32 2w3k h TRP 237 N 0.43 1.05 0.26 -1.35 7.01 -1.84 -0.11 115.95 121.40 2w3k h TRP 237 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 2w3k h TRP 237 Cb 0.94 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 2w3k h TRP 237 CO 0.08 0.62 -0.12 0.82 -2.79 0.00 0.00 178.44 177.05 2w3k h ILE 238 N 1.11 0.78 -0.70 2.65 2.04 -0.53 -0.47 117.51 122.38 2w3k h ILE 238 Ca 0.34 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 66.06 2w3k h ILE 238 Cb -0.04 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2w3k h ILE 238 CO -0.10 0.05 0.34 0.44 0.00 0.00 0.00 178.15 178.88 2w3k h ASP 239 N -0.47 0.43 -0.44 1.72 3.45 -1.18 0.09 116.42 120.03 2w3k h ASP 239 Ca -0.04 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.49 2w3k h ASP 239 Cb 0.35 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 2w3k h ASP 239 CO 0.06 0.24 0.26 -0.09 -1.57 0.00 0.00 179.24 178.14 2w3k h ARG 240 N 0.58 0.60 0.00 3.56 2.43 -0.91 -2.41 114.38 118.22 2w3k h ARG 240 Ca 0.35 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.41 2w3k h ARG 240 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2w3k h ARG 240 CO -0.28 0.44 -0.23 0.77 -1.51 0.00 0.00 179.97 179.16 2w3k h SER 241 N 0.58 0.00 1.60 -3.80 0.02 -0.02 -2.94 113.55 108.98 2w3k h SER 241 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2w3k h SER 241 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2w3k h SER 241 CO -0.03 0.23 -0.41 0.24 -1.14 0.00 0.00 176.83 175.73 2w3k h MET 242 N 0.00 0.00 -0.00 3.45 2.86 -0.72 -3.24 114.93 117.28 2w3k h MET 242 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2w3k h MET 242 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2w3k h MET 242 CO 0.03 0.09 -0.00 1.63 1.06 0.00 0.00 176.91 179.72 2w3k n LYS 243 N -3.00 1.19 0.00 1.72 5.02 -0.93 -5.09 118.16 117.06 2w3k n LYS 243 Ca 0.02 -0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 2w3k n LYS 243 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2w3k n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13