#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2k s VAL 17 N 0.00 1.59 0.00 1.39 1.01 0.15 -3.59 120.40 120.95 1w2k s VAL 17 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1w2k s VAL 17 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1w2k s VAL 17 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1w2k n GLY 18 N 4.69 0.45 0.00 4.51 0.00 -1.26 -2.09 105.19 111.49 1w2k n GLY 18 Ca -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1w2k n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2k n GLY 19 N -2.18 3.39 3.34 -0.02 0.00 -1.26 -4.88 105.19 103.57 1w2k n GLY 19 Ca 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 1w2k n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w2k s LYS 20 N 2.96 1.23 -0.18 1.61 1.02 0.85 -4.93 119.74 122.29 1w2k s LYS 20 Ca 0.00 -1.35 -0.29 0.00 0.02 0.00 0.00 55.97 54.35 1w2k s LYS 20 Cb 0.00 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.63 1w2k s LYS 20 CO 0.00 -0.45 1.71 0.08 -0.92 0.00 0.00 175.35 175.77 1w2k s VAL 21 N -4.04 3.56 -0.02 3.17 1.01 -1.26 0.80 120.40 123.62 1w2k s VAL 21 Ca 0.25 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 1w2k s VAL 21 Cb 0.04 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1w2k s VAL 21 CO 0.06 -0.22 1.86 0.00 0.00 0.00 0.00 175.10 176.80 1w2k n PRO 23 N 7.50 1.83 -1.46 0.00 -0.02 -1.26 -4.71 135.00 136.87 1w2k n PRO 23 Ca 0.20 0.64 -0.56 0.00 -2.02 0.00 0.00 63.50 61.76 1w2k n PRO 23 Cb 0.42 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 1w2k n PRO 23 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1w2k n LYS 24 N 0.56 0.71 0.00 -0.52 4.81 -1.26 -0.69 118.16 121.77 1w2k n LYS 24 Ca 0.07 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1w2k n LYS 24 Cb 0.35 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1w2k n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1w2k n GLY 25 N 6.16 2.91 0.60 3.14 0.00 -1.26 -4.94 105.19 111.80 1w2k n GLY 25 Ca 0.41 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.46 1w2k n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w2k n GLU 26 N -1.10 1.71 -2.76 1.61 1.02 0.14 -3.57 120.64 117.70 1w2k n GLU 26 Ca 0.00 -0.73 -0.10 0.00 -0.02 0.00 0.00 57.16 56.31 1w2k n GLU 26 Cb 0.00 -1.42 0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1w2k n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1w2k n PRO 28 N -0.14 0.15 -0.00 0.00 -0.04 -1.23 -2.27 135.00 131.46 1w2k n PRO 28 Ca 0.07 0.16 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 1w2k n PRO 28 Cb 0.79 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.69 1w2k n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1w2k n TRP 29 N -1.22 0.00 -1.76 0.54 2.14 -1.13 -1.65 117.44 114.36 1w2k n TRP 29 Ca 0.04 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.20 1w2k n TRP 29 Cb 0.05 -0.02 -0.02 0.00 -0.81 0.00 0.00 31.31 30.51 1w2k n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1w2k s GLN 30 N -1.98 4.12 0.27 -2.67 2.00 -0.96 -1.18 119.66 119.26 1w2k s GLN 30 Ca 0.03 2.59 0.12 0.00 -2.00 0.00 0.00 55.36 56.09 1w2k s GLN 30 Cb 0.07 -3.05 -0.05 0.00 0.80 0.00 0.00 33.01 30.78 1w2k s GLN 30 CO 0.40 -0.69 -0.19 0.08 -0.50 0.00 0.00 175.29 174.39 1w2k s VAL 31 N 0.57 2.55 -0.08 1.34 1.01 -0.41 -4.44 120.40 120.95 1w2k s VAL 31 Ca 0.69 -2.34 0.03 0.00 0.00 0.00 0.00 61.98 60.36 1w2k s VAL 31 Cb -0.49 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1w2k s VAL 31 CO 0.40 -0.38 -0.18 -0.22 0.00 0.00 0.00 175.10 174.72 1w2k s LEU 32 N -3.46 1.87 -0.16 3.92 2.96 -0.92 -1.24 118.68 121.65 1w2k s LEU 32 Ca 0.29 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1w2k s LEU 32 Cb -0.05 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 1w2k s LEU 32 CO 0.15 0.10 0.04 -0.76 -1.32 0.00 0.00 176.35 174.56 1w2k s LEU 33 N 0.47 3.70 -0.00 -0.68 1.43 0.11 -1.33 118.68 122.38 1w2k s LEU 33 Ca -0.16 0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1w2k s LEU 33 Cb -0.17 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1w2k s LEU 33 CO 0.06 0.22 -0.17 -0.76 0.23 0.00 0.00 176.35 175.93 1w2k s LEU 34 N 0.10 2.06 -0.14 1.79 1.43 -0.60 0.35 118.68 123.68 1w2k s LEU 34 Ca 0.04 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1w2k s LEU 34 Cb -0.13 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.27 1w2k s LEU 34 CO 0.01 0.18 -0.21 0.68 0.23 0.00 0.00 176.35 177.24 1w2k s VAL 35 N -0.48 1.99 -1.43 -1.59 -7.23 -0.60 -1.08 120.40 109.97 1w2k s VAL 35 Ca 0.06 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 1w2k s VAL 35 Cb -0.07 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.12 1w2k s VAL 35 CO -0.00 0.53 0.45 0.59 -0.31 0.00 0.00 175.10 176.36 1w2k n ASN 37 N 4.19 -0.60 -3.56 4.85 5.03 -0.98 -1.46 115.26 122.73 1w2k n ASN 37 Ca -0.20 -1.00 -0.23 0.00 0.87 0.00 0.00 54.58 54.02 1w2k n ASN 37 Cb 0.51 -3.04 0.05 0.00 -1.02 0.00 0.00 39.78 36.28 1w2k n ASN 37 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1w2k n GLY 38 N -1.94 -0.76 3.14 7.41 0.00 -1.26 -5.02 105.19 106.76 1w2k n GLY 38 Ca -0.28 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1w2k n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2k s ALA 39 N -3.52 -0.77 0.27 4.61 0.00 -0.54 -5.12 121.76 116.70 1w2k s ALA 39 Ca 0.28 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 1w2k s ALA 39 Cb -0.07 -0.82 -0.14 0.00 0.00 0.00 0.00 23.12 22.09 1w2k s ALA 39 CO 0.81 -0.30 1.08 0.94 0.00 0.00 0.00 175.76 178.29 1w2k n GLN 40 N 4.42 1.40 0.00 0.00 7.27 -1.26 -1.55 117.38 127.65 1w2k n GLN 40 Ca -0.22 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1w2k n GLN 40 Cb 0.53 -1.91 0.00 0.00 2.41 0.00 0.00 30.24 31.27 1w2k n GLN 40 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1w2k n LEU 41 N 1.42 0.49 -3.78 1.69 7.94 0.16 -4.79 117.00 120.14 1w2k n LEU 41 Ca 0.11 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.99 1w2k n LEU 41 Cb 0.31 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.26 1w2k n LEU 41 CO 0.60 -0.09 0.83 0.00 -1.11 0.00 0.00 177.39 177.63 1w2k s GLY 43 N -3.13 1.68 0.33 0.00 0.00 0.20 0.05 107.32 106.45 1w2k s GLY 43 Ca 0.16 -1.47 0.02 0.00 0.00 0.00 0.00 44.72 43.43 1w2k s GLY 43 CO 0.02 -1.35 0.39 0.61 0.00 0.00 0.00 173.10 172.76 1w2k n GLY 44 N -1.74 2.49 2.80 0.20 0.00 -0.37 -3.54 105.19 105.03 1w2k n GLY 44 Ca 0.02 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 1w2k n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w2k s THR 45 N -3.02 -0.25 -0.19 2.61 2.01 0.11 -1.29 115.64 115.62 1w2k s THR 45 Ca 0.33 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 1w2k s THR 45 Cb 0.00 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 1w2k s THR 45 CO 0.23 0.07 1.25 -0.22 -0.69 0.00 0.00 174.62 175.26 1w2k s LEU 46 N 2.28 4.14 -0.08 4.42 2.96 -0.33 -0.68 118.68 131.40 1w2k s LEU 46 Ca 0.04 1.61 0.14 0.00 -0.22 0.00 0.00 54.13 55.69 1w2k s LEU 46 Cb -0.13 -3.54 0.43 0.00 0.50 0.00 0.00 46.19 43.45 1w2k s LEU 46 CO -0.07 -0.80 1.35 2.30 -1.32 0.00 0.00 176.35 177.82 1w2k n ILE 47 N 5.48 1.54 0.00 6.68 -5.35 -0.96 0.27 119.36 127.03 1w2k n ILE 47 Ca 0.14 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 1w2k n ILE 47 Cb 0.45 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 1w2k n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1w2k n ASN 48 N 0.20 0.00 -0.55 7.28 0.23 -1.24 -4.78 115.26 116.40 1w2k n ASN 48 Ca 0.16 0.00 0.42 0.00 -0.53 0.00 0.00 54.58 54.64 1w2k n ASN 48 Cb 0.64 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 39.01 1w2k n ASN 48 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1w2k n THR 49 N -1.02 -0.08 -0.07 5.53 -2.24 -1.26 -2.29 114.28 112.84 1w2k n THR 49 Ca 0.00 1.40 0.00 0.00 -2.27 0.00 0.00 64.05 63.18 1w2k n THR 49 Cb 0.00 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 65.91 1w2k n THR 49 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1w2k n ILE 50 N -3.96 0.00 -5.25 2.28 -5.35 -1.26 -1.53 119.36 104.29 1w2k n ILE 50 Ca 0.38 -0.45 -0.31 0.00 -0.27 0.00 0.00 62.75 62.09 1w2k n ILE 50 Cb 1.62 1.07 -0.16 0.00 -1.74 0.00 0.00 39.64 40.43 1w2k n ILE 50 CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1w2k s TRP 51 N -0.18 2.43 -0.04 4.28 0.52 -0.97 -0.44 118.94 124.54 1w2k s TRP 51 Ca 0.00 -0.62 0.05 0.00 0.02 0.00 0.00 56.10 55.55 1w2k s TRP 51 Cb 0.00 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 1w2k s TRP 51 CO 0.00 -0.15 -0.17 0.08 0.02 0.00 0.00 176.95 176.73 1w2k s VAL 52 N -0.31 1.41 -0.19 4.03 1.01 0.32 -2.26 120.40 124.42 1w2k s VAL 52 Ca 0.01 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1w2k s VAL 52 Cb -0.13 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1w2k s VAL 52 CO 0.02 0.41 0.05 -0.69 0.00 0.00 0.00 175.10 174.89 1w2k s VAL 53 N -0.08 4.51 0.00 2.92 1.01 0.14 0.18 120.40 129.09 1w2k s VAL 53 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1w2k s VAL 53 Cb -0.10 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1w2k s VAL 53 CO 0.01 0.43 0.00 -0.24 0.00 0.00 0.00 175.10 175.31 1w2k n SER 54 N 3.89 0.02 -4.89 3.32 2.88 -0.14 -0.71 113.62 118.00 1w2k n SER 54 Ca -0.17 -0.53 -0.34 0.00 -1.33 0.00 0.00 58.87 56.50 1w2k n SER 54 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1w2k n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1w2k s ALA 55 N -2.00 3.86 0.02 -1.46 0.00 -1.26 -1.16 121.76 119.75 1w2k s ALA 55 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 51.96 51.12 1w2k s ALA 55 Cb 0.00 -2.05 -0.18 0.00 0.00 0.00 0.00 23.12 20.89 1w2k s ALA 55 CO 0.00 0.66 1.38 0.00 0.00 0.00 0.00 175.76 177.79 1w2k h ALA 56 N 3.94 -0.13 0.00 0.00 0.00 -1.71 -2.96 119.26 118.40 1w2k h ALA 56 Ca -0.50 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1w2k h ALA 56 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1w2k h ALA 56 CO 0.66 -0.41 0.07 -2.39 0.00 0.00 0.00 179.25 177.18 1w2k n HIS 57 N -5.00 0.06 0.25 0.00 1.44 -1.26 -1.07 115.22 109.64 1w2k n HIS 57 Ca -0.08 0.03 0.13 0.00 -2.01 0.00 0.00 57.72 55.78 1w2k n HIS 57 Cb 0.20 -0.48 0.65 0.00 0.12 0.00 0.00 29.99 30.48 1w2k n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1w2k n PHE 59 N -3.45 1.01 -0.30 0.00 3.72 -0.24 -4.67 117.46 113.54 1w2k n PHE 59 Ca -0.01 -0.68 0.04 0.00 -0.05 0.00 0.00 57.45 56.75 1w2k n PHE 59 Cb 0.31 -0.22 0.18 0.00 -0.94 0.00 0.00 39.48 38.81 1w2k n PHE 59 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1w2k h ASP 60 N 2.65 0.67 -0.17 4.37 5.19 -1.62 -3.09 116.42 124.41 1w2k h ASP 60 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1w2k h ASP 60 Cb 1.26 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1w2k h ASP 60 CO 0.17 0.37 0.00 0.29 -3.12 0.00 0.00 179.24 176.95 1w2k n LYS 60 N -4.75 2.48 -1.77 3.56 5.02 -1.26 -5.02 118.16 116.42 1w2k n LYS 60 Ca 0.14 -2.49 -0.36 0.00 -2.02 0.00 0.00 58.31 53.58 1w2k n LYS 60 Cb 0.30 -1.56 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1w2k n LYS 60 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1w2k s ILE 60 N -2.33 2.25 0.00 -0.18 -1.09 -1.17 -4.95 121.20 113.73 1w2k s ILE 60 Ca 0.31 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1w2k s ILE 60 Cb 0.25 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.13 1w2k s ILE 60 CO 0.07 -0.04 0.00 0.29 -1.23 0.00 0.00 174.94 174.04 1w2k n LYS 60 N -1.95 0.00 -3.18 2.79 4.76 -1.26 -4.93 118.16 114.39 1w2k n LYS 60 Ca 0.15 0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 55.14 1w2k n LYS 60 Cb 0.49 -0.39 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 1w2k n LYS 60 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1w2k n ASN 60 N -2.61 5.44 0.00 4.39 3.02 -1.26 -4.86 115.26 119.37 1w2k n ASN 60 Ca 0.00 -3.03 0.01 0.00 -0.03 0.00 0.00 54.58 51.54 1w2k n ASN 60 Cb 0.28 -1.45 0.08 0.00 -0.61 0.00 0.00 39.78 38.08 1w2k n ASN 60 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1w2k n TRP 61 N 3.71 0.00 0.24 3.10 7.02 -1.26 -0.57 117.44 129.68 1w2k n TRP 61 Ca 0.29 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.85 1w2k n TRP 61 Cb 0.40 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.43 1w2k n TRP 61 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1w2k n ARG 62 N -0.85 1.99 -0.43 -0.99 5.12 -1.26 -4.39 116.66 115.85 1w2k n ARG 62 Ca 0.02 -1.86 0.06 0.00 -1.93 0.00 0.00 57.85 54.14 1w2k n ARG 62 Cb 0.01 -1.35 0.20 0.00 -1.16 0.00 0.00 32.46 30.16 1w2k n ARG 62 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1w2k n ASN 63 N 0.95 2.63 -4.67 0.55 5.03 0.27 -5.00 115.26 115.02 1w2k n ASN 63 Ca 0.13 -3.38 -0.39 0.00 0.87 0.00 0.00 54.58 51.80 1w2k n ASN 63 Cb 0.45 -0.52 -0.06 0.00 -1.02 0.00 0.00 39.78 38.63 1w2k n ASN 63 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1w2k s LEU 64 N -3.02 4.17 0.01 3.41 2.01 -1.26 -2.31 118.68 121.69 1w2k s LEU 64 Ca 0.38 0.76 0.08 0.00 0.01 0.00 0.00 54.13 55.37 1w2k s LEU 64 Cb 0.34 -2.78 -0.02 0.00 0.01 0.00 0.00 46.19 43.74 1w2k s LEU 64 CO 0.02 -0.18 -0.23 -0.63 1.01 0.00 0.00 176.35 176.33 1w2k s ILE 65 N 1.53 1.87 -0.11 -0.59 -1.09 -0.24 -1.02 121.20 121.56 1w2k s ILE 65 Ca 0.26 -1.12 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1w2k s ILE 65 Cb -0.16 -1.58 -0.02 0.00 -1.58 0.00 0.00 42.46 39.13 1w2k s ILE 65 CO 0.10 0.42 -0.12 0.00 -1.23 0.00 0.00 174.94 174.12 1w2k s ALA 66 N -0.65 2.72 -0.14 9.38 0.00 0.40 -1.55 121.76 131.92 1w2k s ALA 66 Ca 0.09 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1w2k s ALA 66 Cb -0.09 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1w2k s ALA 66 CO 0.00 0.36 -0.17 0.08 0.00 0.00 0.00 175.76 176.04 1w2k s VAL 67 N -0.06 1.71 0.31 0.00 1.01 -0.44 0.28 120.40 123.21 1w2k s VAL 67 Ca -0.02 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1w2k s VAL 67 Cb -0.14 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1w2k s VAL 67 CO 0.04 0.48 0.27 -0.76 0.00 0.00 0.00 175.10 175.13 1w2k s LEU 68 N 1.23 3.67 -1.55 3.92 1.02 -0.05 -2.17 118.68 124.74 1w2k s LEU 68 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.74 1w2k s LEU 68 Cb -0.14 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 43.81 1w2k s LEU 68 CO -0.08 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.64 1w2k n GLY 69 N -1.33 -0.41 3.90 -3.19 0.00 -1.24 -2.11 105.19 100.81 1w2k n GLY 69 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1w2k n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w2k s GLU 70 N -4.98 3.63 0.32 1.61 2.56 -1.26 -4.09 118.70 116.49 1w2k s GLU 70 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.97 54.99 1w2k s GLU 70 Cb 0.00 -2.63 0.00 0.00 2.00 0.00 0.00 34.13 33.50 1w2k s GLU 70 CO 0.00 0.19 0.00 1.58 -0.56 0.00 0.00 175.26 176.47 1w2k n HIS 71 N -1.00 -3.50 -3.41 5.30 -0.00 -1.26 -4.92 115.22 106.42 1w2k n HIS 71 Ca -0.02 0.97 -0.44 0.00 -0.00 0.00 0.00 57.72 58.23 1w2k n HIS 71 Cb 0.54 2.38 -0.06 0.00 -0.00 0.00 0.00 29.99 32.85 1w2k n HIS 71 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1w2k s ASP 72 N -2.73 6.00 0.00 0.26 2.15 -1.26 -0.74 116.67 120.35 1w2k s ASP 72 Ca 0.00 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.09 1w2k s ASP 72 Cb 0.00 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 1w2k s ASP 72 CO 0.00 -0.78 0.73 0.18 -0.17 0.00 0.00 175.17 175.13 1w2k n LEU 73 N 5.05 0.00 -0.91 -1.34 4.77 0.12 -0.87 117.00 123.81 1w2k n LEU 73 Ca -0.10 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.21 1w2k n LEU 73 Cb 0.40 -0.25 0.20 0.00 -2.33 0.00 0.00 43.42 41.45 1w2k n LEU 73 CO 0.49 -0.25 0.66 -1.54 -1.33 0.00 0.00 177.39 175.42 1w2k n SER 74 N -1.23 3.20 -3.84 -1.43 3.41 -1.26 -4.97 113.62 107.51 1w2k n SER 74 Ca 0.00 -1.94 -0.12 0.00 -0.26 0.00 0.00 58.87 56.55 1w2k n SER 74 Cb 0.02 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.58 1w2k n SER 74 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1w2k s GLU 75 N -1.09 0.35 -0.13 4.33 0.41 -0.05 -5.15 118.70 117.37 1w2k s GLU 75 Ca 0.32 -0.06 -0.01 0.00 -0.41 0.00 0.00 54.97 54.81 1w2k s GLU 75 Cb 0.18 0.15 -0.02 0.00 -1.78 0.00 0.00 34.13 32.66 1w2k s GLU 75 CO 0.23 -0.07 -0.07 -1.01 -0.49 0.00 0.00 175.26 173.85 1w2k s HIS 76 N -0.62 2.93 0.14 1.61 3.76 -1.26 -4.72 115.29 117.13 1w2k s HIS 76 Ca -0.07 -0.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.50 1w2k s HIS 76 Cb -0.04 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 1w2k s HIS 76 CO 0.01 0.00 0.08 0.16 -0.85 0.00 0.00 174.74 174.14 1w2k s ASP 77 N 0.07 0.27 0.00 1.40 3.84 -1.26 -5.03 116.67 115.96 1w2k s ASP 77 Ca -0.02 -1.22 0.01 0.00 -0.00 0.00 0.00 52.55 51.32 1w2k s ASP 77 Cb -0.14 0.32 0.07 0.00 -1.38 0.00 0.00 42.92 41.79 1w2k s ASP 77 CO 0.03 -0.76 0.86 0.61 -0.00 0.00 0.00 175.17 175.92 1w2k n GLY 78 N -0.13 -0.35 0.25 2.12 0.00 -1.26 -1.74 105.19 104.09 1w2k n GLY 78 Ca -0.04 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1w2k n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w2k n ASP 79 N -1.30 0.91 -4.73 1.61 8.00 -1.26 -4.85 116.55 114.93 1w2k n ASP 79 Ca 0.01 -0.97 -0.40 0.00 0.71 0.00 0.00 54.79 54.14 1w2k n ASP 79 Cb 0.01 0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1w2k n ASP 79 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1w2k s GLU 80 N -2.31 4.44 -0.22 -1.24 2.02 -0.71 -4.23 118.70 116.44 1w2k s GLU 80 Ca 0.31 0.93 -0.02 0.00 0.02 0.00 0.00 54.97 56.22 1w2k s GLU 80 Cb 0.20 -3.41 0.07 0.00 0.10 0.00 0.00 34.13 31.09 1w2k s GLU 80 CO 0.44 0.15 0.03 -0.65 0.02 0.00 0.00 175.26 175.26 1w2k s GLN 81 N 0.48 0.81 0.27 1.61 -0.21 -0.90 -4.99 119.66 116.74 1w2k s GLN 81 Ca 0.38 -0.63 -0.06 0.00 0.02 0.00 0.00 55.36 55.07 1w2k s GLN 81 Cb -0.19 -2.15 -0.06 0.00 1.00 0.00 0.00 33.01 31.61 1w2k s GLN 81 CO 0.20 -0.70 0.54 -1.12 -2.12 0.00 0.00 175.29 172.08 1w2k s SER 82 N 1.74 6.48 -0.15 5.90 0.01 -1.26 -0.87 113.70 125.56 1w2k s SER 82 Ca 0.00 0.74 -0.17 0.00 1.31 0.00 0.00 55.95 57.83 1w2k s SER 82 Cb -0.17 -2.15 0.04 0.00 0.21 0.00 0.00 66.02 63.95 1w2k s SER 82 CO -0.11 -0.16 0.45 -0.13 0.41 0.00 0.00 173.24 173.70 1w2k s ARG 83 N -3.37 0.58 0.27 12.44 1.81 0.14 -4.96 118.95 125.87 1w2k s ARG 83 Ca 0.44 0.51 -0.23 0.00 -1.72 0.00 0.00 55.73 54.74 1w2k s ARG 83 Cb -0.11 0.28 -0.09 0.00 -0.45 0.00 0.00 34.95 34.58 1w2k s ARG 83 CO 0.28 -0.09 0.83 1.03 -0.68 0.00 0.00 175.30 176.67 1w2k s ARG 84 N -0.03 4.42 -0.40 3.54 0.52 -1.26 0.15 118.95 125.88 1w2k s ARG 84 Ca -0.02 1.10 -0.22 0.00 -0.52 0.00 0.00 55.73 56.06 1w2k s ARG 84 Cb -0.03 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 32.62 1w2k s ARG 84 CO 0.02 0.34 0.73 0.08 0.02 0.00 0.00 175.30 176.48 1w2k s VAL 85 N -1.57 4.76 0.02 3.52 1.01 -0.19 -0.03 120.40 127.92 1w2k s VAL 85 Ca 0.47 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 62.78 1w2k s VAL 85 Cb -0.18 -4.21 -0.18 0.00 0.00 0.00 0.00 36.38 31.81 1w2k s VAL 85 CO 0.22 -0.53 1.21 0.00 0.00 0.00 0.00 175.10 176.01 1w2k h ALA 86 N 8.71 0.16 -3.74 5.51 0.00 -1.12 -3.45 119.26 125.32 1w2k h ALA 86 Ca -0.25 -0.45 -0.28 0.00 0.00 0.00 0.00 54.91 53.93 1w2k h ALA 86 Cb 1.10 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.58 1w2k h ALA 86 CO 0.91 0.23 -0.74 -1.14 0.00 0.00 0.00 179.25 178.51 1w2k s GLN 87 N -3.72 0.18 -0.28 0.00 0.74 -1.12 -4.32 119.66 111.13 1w2k s GLN 87 Ca -0.14 -0.04 0.03 0.00 0.05 0.00 0.00 55.36 55.26 1w2k s GLN 87 Cb 0.04 -0.21 0.07 0.00 1.10 0.00 0.00 33.01 34.01 1w2k s GLN 87 CO 0.79 0.01 -0.06 0.08 -0.55 0.00 0.00 175.29 175.55 1w2k s VAL 88 N 0.17 2.27 -0.16 1.34 1.01 0.16 -0.32 120.40 124.87 1w2k s VAL 88 Ca -0.01 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.11 1w2k s VAL 88 Cb -0.03 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1w2k s VAL 88 CO -0.00 -0.17 0.11 -0.63 0.00 0.00 0.00 175.10 174.41 1w2k s ILE 89 N 1.07 5.28 0.01 2.22 1.01 0.37 -1.84 121.20 129.32 1w2k s ILE 89 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1w2k s ILE 89 Cb -0.20 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1w2k s ILE 89 CO -0.05 0.53 -0.09 -0.63 0.00 0.00 0.00 174.94 174.69 1w2k s ILE 90 N -0.29 0.72 0.31 2.92 1.01 -0.92 -0.42 121.20 124.53 1w2k s ILE 90 Ca 0.10 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 1w2k s ILE 90 Cb -0.12 -0.65 -0.11 0.00 0.01 0.00 0.00 42.46 41.59 1w2k s ILE 90 CO 0.01 0.05 1.56 -2.84 0.00 0.00 0.00 174.94 173.72 1w2k s PRO 91 N -0.62 4.12 0.00 2.79 0.02 -1.26 -1.36 135.00 138.70 1w2k s PRO 91 Ca 0.01 2.57 0.11 0.00 0.02 0.00 0.00 61.00 63.71 1w2k s PRO 91 Cb -0.05 -3.01 0.57 0.00 0.02 0.00 0.00 34.50 32.03 1w2k s PRO 91 CO 0.00 -0.60 1.22 -1.13 -0.33 0.00 0.00 177.00 176.16 1w2k n SER 92 N 1.74 0.00 -0.35 2.53 3.41 0.45 -1.29 113.62 120.11 1w2k n SER 92 Ca 0.06 0.04 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 1w2k n SER 92 Cb 0.38 -0.23 0.38 0.00 -0.26 0.00 0.00 64.21 64.48 1w2k n SER 92 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1w2k n THR 93 N -1.23 0.00 -2.93 6.66 -2.24 -1.26 -4.89 114.28 108.39 1w2k n THR 93 Ca 0.06 -0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 1w2k n THR 93 Cb 0.08 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1w2k n THR 93 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1w2k s TYR 94 N -2.34 3.72 -0.27 4.78 5.04 -0.41 -4.91 117.35 122.95 1w2k s TYR 94 Ca 0.28 1.51 -0.02 0.00 -2.44 0.00 0.00 57.07 56.40 1w2k s TYR 94 Cb 0.20 -2.88 0.04 0.00 0.35 0.00 0.00 41.96 39.66 1w2k s TYR 94 CO 0.46 0.21 -0.04 0.08 -1.34 0.00 0.00 175.55 174.93 1w2k s VAL 95 N 0.17 2.92 0.29 3.14 1.01 -1.26 -5.01 120.40 121.65 1w2k s VAL 95 Ca 0.41 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1w2k s VAL 95 Cb -0.21 -2.56 -0.14 0.00 0.00 0.00 0.00 36.38 33.47 1w2k s VAL 95 CO 0.24 0.07 0.84 -2.65 0.00 0.00 0.00 175.10 173.60 1w2k n PRO 96 N 4.65 0.94 0.00 2.72 -0.02 -1.26 -0.77 135.00 141.26 1w2k n PRO 96 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1w2k n PRO 96 Cb 0.45 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1w2k n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w2k n GLY 97 N 1.47 2.49 3.79 -1.23 0.00 -1.26 -5.01 105.19 105.43 1w2k n GLY 97 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1w2k n GLY 97 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1w2k n THR 98 N -2.00 0.00 -0.10 2.61 -2.24 0.05 -5.10 114.28 107.49 1w2k n THR 98 Ca 0.00 -2.10 -0.14 0.00 -2.27 0.00 0.00 64.05 59.54 1w2k n THR 98 Cb 0.00 -0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 1w2k n THR 98 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1w2k n THR 99 N -1.89 1.21 -1.65 4.28 -2.24 -1.26 -4.90 114.28 107.83 1w2k n THR 99 Ca 0.02 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.95 1w2k n THR 99 Cb 0.61 -1.21 0.06 0.00 -2.10 0.00 0.00 70.33 67.69 1w2k n THR 99 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1w2k n ASN 100 N -3.09 1.20 -3.61 3.42 4.05 -1.26 -3.35 115.26 112.63 1w2k n ASN 100 Ca -0.37 0.82 -0.21 0.00 0.45 0.00 0.00 54.58 55.27 1w2k n ASN 100 Cb 0.91 -1.44 0.05 0.00 1.23 0.00 0.00 39.78 40.52 1w2k n ASN 100 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1w2k n HIS 101 N -1.73 -2.01 -2.51 1.20 8.25 -1.26 -4.58 115.22 112.59 1w2k n HIS 101 Ca 0.14 0.81 -0.43 0.00 -0.26 0.00 0.00 57.72 57.99 1w2k n HIS 101 Cb 0.47 -4.36 0.00 0.00 1.12 0.00 0.00 29.99 27.23 1w2k n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1w2k n ASP 102 N -3.04 5.20 -3.88 0.41 2.03 -1.21 -4.69 116.55 111.36 1w2k n ASP 102 Ca -0.25 -3.10 -0.11 0.00 0.52 0.00 0.00 54.79 51.84 1w2k n ASP 102 Cb 0.66 -1.48 -0.12 0.00 -0.72 0.00 0.00 41.12 39.46 1w2k n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1w2k s ILE 103 N 0.39 0.05 -0.06 5.18 2.07 -1.26 -3.88 121.20 123.69 1w2k s ILE 103 Ca 0.40 -0.45 -0.07 0.00 -1.41 0.00 0.00 60.65 59.11 1w2k s ILE 103 Cb 0.07 -0.27 0.02 0.00 0.13 0.00 0.00 42.46 42.41 1w2k s ILE 103 CO 0.01 -0.25 0.20 0.00 -1.91 0.00 0.00 174.94 172.99 1w2k s ALA 104 N -0.79 -0.49 -0.26 1.50 0.00 -0.31 -4.06 121.76 117.35 1w2k s ALA 104 Ca -0.09 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 1w2k s ALA 104 Cb -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1w2k s ALA 104 CO 0.00 -0.11 -0.02 -1.17 0.00 0.00 0.00 175.76 174.46 1w2k s LEU 105 N -0.12 3.41 -0.18 0.00 2.96 0.44 -0.96 118.68 124.23 1w2k s LEU 105 Ca -0.02 -0.84 -0.07 0.00 -0.22 0.00 0.00 54.13 52.98 1w2k s LEU 105 Cb -0.02 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1w2k s LEU 105 CO 0.01 -0.15 0.04 -0.76 -1.32 0.00 0.00 176.35 174.17 1w2k s LEU 106 N 1.37 3.67 -0.16 -0.68 1.02 0.13 -0.48 118.68 123.55 1w2k s LEU 106 Ca 0.01 0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.06 1w2k s LEU 106 Cb -0.17 -1.92 -0.05 0.00 0.02 0.00 0.00 46.19 44.07 1w2k s LEU 106 CO -0.02 0.16 0.21 -0.60 0.02 0.00 0.00 176.35 176.11 1w2k s ARG 107 N 0.45 4.06 0.43 1.70 3.52 0.56 -0.52 118.95 129.15 1w2k s ARG 107 Ca 0.02 -0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.46 1w2k s ARG 107 Cb -0.13 -3.37 -0.06 0.00 -1.56 0.00 0.00 34.95 29.83 1w2k s ARG 107 CO 0.01 0.39 0.80 -0.51 -0.81 0.00 0.00 175.30 175.19 1w2k s LEU 108 N 0.05 3.78 0.31 -0.88 1.43 0.41 -0.65 118.68 123.13 1w2k s LEU 108 Ca 0.13 1.18 0.11 0.00 -1.03 0.00 0.00 54.13 54.53 1w2k s LEU 108 Cb -0.12 -4.08 0.50 0.00 0.03 0.00 0.00 46.19 42.52 1w2k s LEU 108 CO 0.02 -0.45 1.70 -0.74 0.23 0.00 0.00 176.35 177.11 1w2k h HIS 109 N 1.11 0.00 -3.02 0.29 -0.00 -0.78 -3.41 115.15 109.34 1w2k h HIS 109 Ca -0.47 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 59.73 1w2k h HIS 109 Cb 1.19 0.00 -0.27 0.00 -0.00 0.00 0.00 27.41 28.33 1w2k h HIS 109 CO 0.61 0.52 -0.42 -1.14 -0.00 0.00 0.00 177.93 177.50 1w2k s GLN 110 N -3.84 0.29 0.88 5.26 0.74 -1.26 -5.02 119.66 116.71 1w2k s GLN 110 Ca -0.02 0.47 -0.14 0.00 0.05 0.00 0.00 55.36 55.72 1w2k s GLN 110 Cb 0.13 0.05 0.02 0.00 1.10 0.00 0.00 33.01 34.31 1w2k s GLN 110 CO 0.75 -0.09 0.50 -0.35 -0.55 0.00 0.00 175.29 175.55 1w2k n PRO 111 N 3.48 -0.11 -3.16 1.67 -0.04 -1.26 -4.90 135.00 130.69 1w2k n PRO 111 Ca -0.18 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 1w2k n PRO 111 Cb 0.56 -1.90 0.01 0.00 -0.04 0.00 0.00 33.50 32.13 1w2k n PRO 111 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1w2k s VAL 112 N -2.25 2.78 -0.27 0.52 -7.23 -0.58 -4.99 120.40 108.37 1w2k s VAL 112 Ca 0.60 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 1w2k s VAL 112 Cb -0.25 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 1w2k s VAL 112 CO 0.64 0.00 0.18 -0.69 -0.31 0.00 0.00 175.10 174.92 1w2k s VAL 113 N -2.43 5.32 -0.13 1.32 1.01 -1.26 -4.88 120.40 119.36 1w2k s VAL 113 Ca 0.54 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1w2k s VAL 113 Cb -0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1w2k s VAL 113 CO 0.32 0.28 1.23 -0.76 0.00 0.00 0.00 175.10 176.17 1w2k s LEU 114 N 1.55 4.21 0.00 3.92 1.43 -1.26 -4.77 118.68 123.76 1w2k s LEU 114 Ca 0.07 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 1w2k s LEU 114 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1w2k s LEU 114 CO 0.09 -0.69 0.00 0.35 0.23 0.00 0.00 176.35 176.33 1w2k n THR 115 N 5.09 0.00 0.23 5.49 -2.24 -0.73 -4.97 114.28 117.16 1w2k n THR 115 Ca 0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1w2k n THR 115 Cb 0.45 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 69.16 1w2k n THR 115 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1w2k h ASP 116 N 0.00 0.00 -0.28 3.42 3.45 -2.00 -3.02 116.42 117.98 1w2k h ASP 116 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1w2k h ASP 116 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1w2k h ASP 116 CO 0.00 0.20 0.00 1.41 -1.57 0.00 0.00 179.24 179.28 1w2k n HIS 117 N -3.36 0.36 -3.42 4.55 8.25 -1.26 -4.82 115.22 115.52 1w2k n HIS 117 Ca 0.00 -0.29 -0.22 0.00 -0.26 0.00 0.00 57.72 56.96 1w2k n HIS 117 Cb 0.42 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.41 1w2k n HIS 117 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1w2k s VAL 118 N -1.11 -0.19 -0.02 1.59 1.01 -1.14 -3.73 120.40 116.81 1w2k s VAL 118 Ca 0.26 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1w2k s VAL 118 Cb 0.15 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1w2k s VAL 118 CO 0.20 -0.68 -0.10 -0.69 0.00 0.00 0.00 175.10 173.83 1w2k s VAL 119 N 1.63 0.87 0.57 2.92 1.01 -0.66 -1.77 120.40 124.98 1w2k s VAL 119 Ca 0.14 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1w2k s VAL 119 Cb -0.17 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1w2k s VAL 119 CO -0.13 0.26 1.08 -2.16 0.00 0.00 0.00 175.10 174.15 1w2k s PRO 120 N 0.06 3.31 0.11 2.72 0.04 -1.26 -2.83 135.00 137.15 1w2k s PRO 120 Ca -0.01 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1w2k s PRO 120 Cb -0.08 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1w2k s PRO 120 CO 0.00 -0.84 0.47 -1.17 0.04 0.00 0.00 177.00 175.50 1w2k s LEU 121 N -4.20 4.34 0.39 -3.56 2.96 0.14 -4.92 118.68 113.83 1w2k s LEU 121 Ca 0.67 0.91 -0.24 0.00 -0.22 0.00 0.00 54.13 55.26 1w2k s LEU 121 Cb -0.19 -3.14 -0.09 0.00 0.50 0.00 0.00 46.19 43.27 1w2k s LEU 121 CO 0.32 0.13 1.04 0.00 -1.32 0.00 0.00 176.35 176.52 1w2k s LEU 123 N -2.61 4.11 0.81 0.00 2.96 -1.26 -0.63 118.68 122.06 1w2k s LEU 123 Ca 0.57 0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 54.67 1w2k s LEU 123 Cb -0.21 -2.33 0.11 0.00 0.50 0.00 0.00 46.19 44.25 1w2k s LEU 123 CO 0.27 -0.05 1.16 -2.16 -1.32 0.00 0.00 176.35 174.24 1w2k s PRO 124 N 1.43 1.68 0.29 0.98 0.04 -1.26 -4.96 135.00 133.20 1w2k s PRO 124 Ca 0.14 -0.19 -0.18 0.00 0.04 0.00 0.00 61.00 60.80 1w2k s PRO 124 Cb -0.15 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1w2k s PRO 124 CO 0.07 -1.69 0.76 -1.21 0.04 0.00 0.00 177.00 174.97 1w2k s GLU 125 N -5.54 4.16 0.09 4.56 2.02 -1.26 -4.95 118.70 117.78 1w2k s GLU 125 Ca 0.65 0.82 -0.27 0.00 0.02 0.00 0.00 54.97 56.20 1w2k s GLU 125 Cb -0.09 -2.63 -0.10 0.00 0.10 0.00 0.00 34.13 31.41 1w2k s GLU 125 CO 0.48 0.25 1.43 -0.09 0.02 0.00 0.00 175.26 177.36 1w2k h ARG 126 N 2.79 -0.42 -0.95 1.61 2.43 -1.97 -1.65 114.38 116.21 1w2k h ARG 126 Ca -0.48 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 58.77 1w2k h ARG 126 Cb 1.18 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 1w2k h ARG 126 CO 0.65 -0.28 0.62 1.79 -1.51 0.00 0.00 179.97 181.24 1w2k h THR 127 N -0.44 1.13 -0.51 0.20 1.35 -1.94 0.18 112.91 112.87 1w2k h THR 127 Ca 0.03 -0.40 -0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1w2k h THR 127 Cb 0.53 -0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.79 1w2k h THR 127 CO -0.36 0.21 0.20 0.15 -0.25 0.00 0.00 175.52 175.47 1w2k h PHE 128 N 1.15 0.72 -0.00 4.73 3.57 -1.91 0.22 116.94 125.43 1w2k h PHE 128 Ca 0.39 -0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.63 1w2k h PHE 128 Cb 0.08 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1w2k h PHE 128 CO -0.00 0.57 -0.94 1.03 -2.23 0.00 0.00 178.31 176.73 1w2k h SER 129 N 0.72 0.56 0.25 0.41 0.87 -0.28 -1.71 113.55 114.37 1w2k h SER 129 Ca 0.17 -0.44 -0.34 0.00 -1.23 0.00 0.00 61.79 59.95 1w2k h SER 129 Cb 0.15 -0.17 0.04 0.00 -0.44 0.00 0.00 62.40 61.98 1w2k h SER 129 CO -0.02 1.24 -1.48 -0.33 -0.53 0.00 0.00 176.83 175.71 1w2k h GLU 129 N 0.24 0.54 0.00 2.24 5.08 -0.68 -0.97 114.58 121.04 1w2k h GLU 129 Ca -0.08 -0.92 -0.06 0.00 -1.00 0.00 0.00 59.36 57.30 1w2k h GLU 129 Cb 1.58 0.34 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 1w2k h GLU 129 CO 0.16 1.44 -0.91 -0.09 -1.00 0.00 0.00 179.01 178.62 1w2k h ARG 129 N 0.13 0.00 0.00 2.33 2.43 -0.70 -3.40 114.38 115.18 1w2k h ARG 129 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1w2k h ARG 129 Cb 2.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.71 1w2k h ARG 129 CO 0.27 0.14 0.00 2.41 -1.51 0.00 0.00 179.97 181.28 1w2k n THR 129 N -2.87 0.01 -0.35 0.20 -1.04 -0.69 -4.81 114.28 104.74 1w2k n THR 129 Ca -0.02 0.00 0.23 0.00 -2.04 0.00 0.00 64.05 62.22 1w2k n THR 129 Cb 0.65 -0.80 0.47 0.00 -1.82 0.00 0.00 70.33 68.83 1w2k n THR 129 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1w2k h LEU 129 N 0.00 0.52 -2.36 -4.42 3.38 -1.49 0.24 115.31 111.18 1w2k h LEU 129 Ca 0.00 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1w2k h LEU 129 Cb 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1w2k h LEU 129 CO 0.00 0.01 0.20 0.00 0.09 0.00 0.00 178.44 178.73 1w2k h ALA 129 N 1.72 1.44 -0.12 1.53 0.00 -1.39 -2.06 119.26 120.37 1w2k h ALA 129 Ca 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1w2k h ALA 129 Cb 1.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1w2k h ALA 129 CO -0.45 -0.24 0.00 1.19 0.00 0.00 0.00 179.25 179.75 1w2k n PHE 129 N -3.30 0.13 -2.33 0.00 3.01 0.83 -4.84 117.46 110.97 1w2k n PHE 129 Ca -0.01 -0.08 -0.43 0.00 1.01 0.00 0.00 57.45 57.94 1w2k n PHE 129 Cb 0.28 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.73 1w2k n PHE 129 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1w2k s VAL 129 N -1.53 4.10 0.12 -4.37 1.01 -0.78 -4.91 120.40 114.03 1w2k s VAL 129 Ca 0.26 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 1w2k s VAL 129 Cb 0.17 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1w2k s VAL 129 CO 0.25 -0.18 1.70 -0.09 0.00 0.00 0.00 175.10 176.78 1w2k h ARG 134 N 8.77 -0.09 -6.16 2.72 2.43 -1.88 -3.44 114.38 116.73 1w2k h ARG 134 Ca -0.29 0.01 -0.51 0.00 -0.81 0.00 0.00 59.98 58.37 1w2k h ARG 134 Cb 1.12 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1w2k h ARG 134 CO 0.98 -0.06 -0.41 -0.06 -1.51 0.00 0.00 179.97 178.91 1w2k s PHE 135 N -6.18 3.48 0.21 2.20 0.40 -1.26 -0.67 117.98 116.15 1w2k s PHE 135 Ca -0.14 0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1w2k s PHE 135 Cb 0.09 -1.69 0.01 0.00 0.51 0.00 0.00 43.02 41.95 1w2k s PHE 135 CO 0.67 0.44 0.48 -1.12 0.70 0.00 0.00 175.22 176.40 1w2k s SER 136 N -3.51 -0.17 -0.19 1.36 0.01 -0.28 -4.61 113.70 106.32 1w2k s SER 136 Ca 0.35 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 1w2k s SER 136 Cb -0.10 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1w2k s SER 136 CO 0.29 -1.06 -0.09 -0.76 0.41 0.00 0.00 173.24 172.03 1w2k s LEU 137 N -2.92 2.74 -0.03 2.44 1.43 -0.87 -0.37 118.68 121.09 1w2k s LEU 137 Ca 0.13 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1w2k s LEU 137 Cb -0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1w2k s LEU 137 CO 0.01 0.04 -0.03 0.68 0.23 0.00 0.00 176.35 177.27 1w2k s VAL 138 N 1.11 3.93 0.27 -1.59 -7.23 -0.45 -2.42 120.40 114.03 1w2k s VAL 138 Ca 0.01 -0.57 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1w2k s VAL 138 Cb -0.14 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 1w2k s VAL 138 CO -0.02 0.46 0.41 -0.94 -0.31 0.00 0.00 175.10 174.70 1w2k s SER 139 N -1.25 0.34 0.00 4.85 1.04 -1.25 -0.85 113.70 116.57 1w2k s SER 139 Ca 0.16 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1w2k s SER 139 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1w2k s SER 139 CO 0.06 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1w2k n GLY 140 N -0.43 -1.31 1.35 7.32 0.00 -0.62 -4.53 105.19 106.97 1w2k n GLY 140 Ca 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 46.02 44.55 1w2k n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1w2k n TRP 141 N 2.41 1.51 -0.46 1.61 8.01 -1.26 -1.44 117.44 127.81 1w2k n TRP 141 Ca 0.00 -1.06 0.00 0.00 -1.31 0.00 0.00 57.50 55.13 1w2k n TRP 141 Cb 0.00 -0.47 0.00 0.00 -2.01 0.00 0.00 31.31 28.83 1w2k n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1w2k n GLY 142 N -0.38 -2.16 3.71 6.99 0.00 -1.26 -0.70 105.19 111.40 1w2k n GLY 142 Ca 0.29 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1w2k n GLY 142 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w2k n GLN 143 N -1.13 1.86 0.00 1.61 3.00 -1.25 -2.23 117.38 119.24 1w2k n GLN 143 Ca 0.00 0.67 0.11 0.00 -0.01 0.00 0.00 57.00 57.76 1w2k n GLN 143 Cb 0.00 -2.43 -0.00 0.00 0.00 0.00 0.00 30.24 27.81 1w2k n GLN 143 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1w2k n LEU 144 N -0.10 0.84 -3.71 1.08 4.77 -1.06 -0.32 117.00 118.50 1w2k n LEU 144 Ca 0.07 -0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 55.58 1w2k n LEU 144 Cb 0.41 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1w2k n LEU 144 CO 0.57 0.21 0.15 -0.76 -1.33 0.00 0.00 177.39 176.24 1w2k s LEU 145 N -3.00 0.20 0.18 2.23 1.43 -1.26 -4.54 118.68 113.92 1w2k s LEU 145 Ca 0.09 0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 1w2k s LEU 145 Cb 0.16 1.63 0.22 0.00 0.03 0.00 0.00 46.19 48.23 1w2k s LEU 145 CO 0.82 -0.19 1.12 -0.67 0.23 0.00 0.00 176.35 177.66 1w2k n ASP 146 N 2.69 -0.41 0.03 2.29 4.64 -1.26 -1.04 116.55 123.49 1w2k n ASP 146 Ca -0.14 1.26 -0.22 0.00 -1.38 0.00 0.00 54.79 54.31 1w2k n ASP 146 Cb 0.57 -0.31 -0.14 0.00 -1.04 0.00 0.00 41.12 40.19 1w2k n ASP 146 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 1w2k h ARG 147 N 0.00 0.29 0.00 -0.67 2.43 -1.97 -3.47 114.38 110.99 1w2k h ARG 147 Ca 0.28 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.95 1w2k h ARG 147 Cb 0.46 0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1w2k h ARG 147 CO -0.73 1.23 -0.00 0.41 -1.51 0.00 0.00 179.97 179.37 1w2k n GLY 149 N 1.74 -0.40 3.80 2.80 0.00 -0.21 -5.04 105.19 107.89 1w2k n GLY 149 Ca -0.23 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1w2k n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2k n ALA 150 N -1.01 1.12 -1.06 4.61 0.00 -1.26 -4.80 120.51 118.11 1w2k n ALA 150 Ca -0.00 -2.08 -0.30 0.00 0.00 0.00 0.00 53.44 51.06 1w2k n ALA 150 Cb 0.01 0.64 0.24 0.00 0.00 0.00 0.00 19.45 20.34 1w2k n ALA 150 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1w2k s THR 151 N -2.56 1.62 -0.02 0.00 -4.23 -1.26 -2.56 115.64 106.64 1w2k s THR 151 Ca 0.53 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1w2k s THR 151 Cb -0.04 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1w2k s THR 151 CO 0.34 0.00 -0.16 0.00 -0.54 0.00 0.00 174.62 174.26 1w2k s ALA 152 N -2.97 2.61 0.11 3.99 0.00 0.13 -4.75 121.76 120.87 1w2k s ALA 152 Ca 0.70 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 1w2k s ALA 152 Cb -0.11 -0.88 -0.15 0.00 0.00 0.00 0.00 23.12 21.98 1w2k s ALA 152 CO 0.56 0.56 1.26 -0.07 0.00 0.00 0.00 175.76 178.07 1w2k h LEU 153 N 5.13 0.71 -9.28 0.00 3.38 -1.92 -3.44 115.31 109.89 1w2k h LEU 153 Ca -0.46 -0.56 -0.67 0.00 0.09 0.00 0.00 57.88 56.27 1w2k h LEU 153 Cb 1.15 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 1w2k h LEU 153 CO 0.50 1.36 -0.60 -1.61 0.09 0.00 0.00 178.44 178.18 1w2k s GLU 154 N -3.32 3.19 -0.13 1.13 2.02 -1.26 0.14 118.70 120.47 1w2k s GLU 154 Ca -0.08 -0.37 -0.39 0.00 0.02 0.00 0.00 54.97 54.16 1w2k s GLU 154 Cb 0.08 -2.90 -0.16 0.00 0.10 0.00 0.00 34.13 31.26 1w2k s GLU 154 CO 0.89 0.64 1.60 -0.11 0.02 0.00 0.00 175.26 178.30 1w2k n LEU 155 N 2.36 2.18 -4.81 1.80 7.94 0.08 -4.86 117.00 121.69 1w2k n LEU 155 Ca -0.18 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.51 1w2k n LEU 155 Cb 0.54 -1.17 -0.06 0.00 0.53 0.00 0.00 43.42 43.26 1w2k n LEU 155 CO 0.30 -0.63 -0.22 -0.04 -1.11 0.00 0.00 177.39 175.68 1w2k s MET 156 N 2.43 3.00 0.05 1.96 -1.94 -0.52 -0.72 119.30 123.56 1w2k s MET 156 Ca 0.93 -0.71 0.00 0.00 -1.71 0.00 0.00 55.69 54.20 1w2k s MET 156 Cb -1.01 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 1w2k s MET 156 CO 0.58 0.54 -0.04 0.54 -0.01 0.00 0.00 175.02 176.63 1w2k s VAL 157 N -1.55 0.29 -0.01 -6.03 0.11 0.24 -1.58 120.40 111.87 1w2k s VAL 157 Ca 0.31 -1.48 -0.17 0.00 -2.93 0.00 0.00 61.98 57.71 1w2k s VAL 157 Cb -0.11 -1.07 0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1w2k s VAL 157 CO 0.24 -0.76 0.36 -0.22 -3.33 0.00 0.00 175.10 171.38 1w2k s LEU 158 N -2.35 0.65 -0.23 2.54 2.96 -0.03 -0.11 118.68 122.11 1w2k s LEU 158 Ca -0.01 0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1w2k s LEU 158 Cb 0.00 1.45 -0.03 0.00 0.50 0.00 0.00 46.19 48.12 1w2k s LEU 158 CO -0.05 -0.50 0.05 0.21 -1.32 0.00 0.00 176.35 174.74 1w2k s ASN 159 N -1.44 5.10 0.05 3.68 3.04 -1.26 -1.34 114.94 122.78 1w2k s ASN 159 Ca -0.12 -0.17 0.05 0.00 0.04 0.00 0.00 52.86 52.66 1w2k s ASN 159 Cb -0.04 -1.90 -0.02 0.00 -1.54 0.00 0.00 41.25 37.75 1w2k s ASN 159 CO 0.04 0.02 -0.14 0.68 -3.04 0.00 0.00 177.10 174.65 1w2k s VAL 160 N 1.30 1.12 0.32 -5.21 -7.23 0.50 -4.93 120.40 106.27 1w2k s VAL 160 Ca 0.05 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 58.91 1w2k s VAL 160 Cb -0.15 -1.05 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 1w2k s VAL 160 CO 0.03 -0.09 0.77 -2.16 -0.31 0.00 0.00 175.10 173.33 1w2k s PRO 161 N -1.40 4.09 0.03 4.82 0.04 -1.26 -1.13 135.00 140.19 1w2k s PRO 161 Ca 0.00 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 1w2k s PRO 161 Cb -0.09 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1w2k s PRO 161 CO 0.02 0.18 0.16 0.50 0.04 0.00 0.00 177.00 177.89 1w2k s ARG 162 N -2.80 3.29 0.14 4.56 3.52 0.15 -1.61 118.95 126.20 1w2k s ARG 162 Ca 0.53 -0.45 0.08 0.00 -0.13 0.00 0.00 55.73 55.77 1w2k s ARG 162 Cb -0.11 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 1w2k s ARG 162 CO 0.18 0.63 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.60 1w2k s LEU 163 N -2.17 2.38 0.26 -0.88 1.02 -0.69 -4.98 118.68 113.62 1w2k s LEU 163 Ca 0.29 -0.79 -0.25 0.00 0.02 0.00 0.00 54.13 53.40 1w2k s LEU 163 Cb -0.13 -0.81 -0.09 0.00 0.02 0.00 0.00 46.19 45.18 1w2k s LEU 163 CO 0.22 -0.02 0.87 -0.04 0.02 0.00 0.00 176.35 177.40 1w2k s MET 164 N -2.46 4.57 0.29 1.70 -1.94 -1.26 -4.09 119.30 116.11 1w2k s MET 164 Ca 0.11 1.23 -0.02 0.00 -1.71 0.00 0.00 55.69 55.31 1w2k s MET 164 Cb -0.07 -2.99 0.65 0.00 2.01 0.00 0.00 34.83 34.42 1w2k s MET 164 CO 0.05 0.40 1.57 1.15 -0.01 0.00 0.00 175.02 178.19 1w2k h THR 165 N 2.87 0.05 -0.15 2.05 2.02 -1.94 -0.71 112.91 117.09 1w2k h THR 165 Ca -0.47 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.76 1w2k h THR 165 Cb 1.20 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.57 1w2k h THR 165 CO 0.66 0.00 -0.33 -0.61 0.37 0.00 0.00 175.52 175.61 1w2k h GLN 166 N 0.01 -0.37 -0.55 6.66 4.15 -1.99 -1.21 115.11 121.81 1w2k h GLN 166 Ca 0.55 0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.00 1w2k h GLN 166 Cb 1.05 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 1w2k h GLN 166 CO -0.93 -0.25 0.36 -0.44 -1.93 0.00 0.00 178.83 175.64 1w2k h ASP 167 N -0.39 0.64 -0.99 -0.69 3.32 -1.55 -1.92 116.42 114.85 1w2k h ASP 167 Ca 0.10 -0.03 0.23 0.00 0.02 0.00 0.00 57.03 57.36 1w2k h ASP 167 Cb 0.55 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 1w2k h ASP 167 CO -0.37 0.47 0.64 0.00 -1.72 0.00 0.00 179.24 178.26 1w2k n LEU 169 N -4.59 0.92 0.00 0.00 4.77 -0.53 -2.30 117.00 115.26 1w2k n LEU 169 Ca 0.23 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1w2k n LEU 169 Cb 0.77 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1w2k n LEU 169 CO 0.27 0.21 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 1w2k n GLN 170 N 0.16 0.00 -4.17 3.23 6.02 0.47 -4.68 117.38 118.41 1w2k n GLN 170 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1w2k n GLN 170 Cb 0.21 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.39 1w2k n GLN 170 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1w2k s SER 170 N 0.00 5.13 0.24 1.08 0.01 -0.97 -4.71 113.70 114.48 1w2k s SER 170 Ca 0.00 -0.09 -0.26 0.00 1.31 0.00 0.00 55.95 56.90 1w2k s SER 170 Cb 0.00 -1.29 -0.09 0.00 0.21 0.00 0.00 66.02 64.86 1w2k s SER 170 CO 0.00 0.21 0.87 -0.13 0.41 0.00 0.00 173.24 174.60 1w2k s ARG 170 N -2.06 4.63 0.24 12.44 0.52 -0.72 -5.05 118.95 128.95 1w2k s ARG 170 Ca 0.24 1.28 -0.30 0.00 -0.52 0.00 0.00 55.73 56.43 1w2k s ARG 170 Cb -0.12 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.16 1w2k s ARG 170 CO 0.16 0.46 1.18 0.21 0.02 0.00 0.00 175.30 177.33 1w2k s LYS 170 N -1.50 4.52 0.00 3.54 2.20 -1.26 -5.01 119.74 122.24 1w2k s LYS 170 Ca 0.42 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 1w2k s LYS 170 Cb -0.22 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1w2k s LYS 170 CO 0.27 0.00 0.00 -1.13 -0.36 0.00 0.00 175.35 174.13 1w2k n SER 170 N 1.75 0.00 -4.60 1.43 3.41 -1.26 -5.20 113.62 109.15 1w2k n SER 170 Ca 0.02 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.31 1w2k n SER 170 Cb 0.44 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.54 1w2k n SER 170 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1w2k n PRO 170 N 1.09 -0.30 -3.78 4.33 -0.02 -1.26 -5.02 135.00 130.03 1w2k n PRO 170 Ca 0.00 -0.03 -0.29 0.00 -2.02 0.00 0.00 63.50 61.17 1w2k n PRO 170 Cb 0.00 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 1w2k n PRO 170 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1w2k s ASN 175 N -2.36 6.39 -0.82 2.55 0.01 -1.26 -5.02 114.94 114.43 1w2k s ASN 175 Ca 0.65 0.37 -0.26 0.00 -0.71 0.00 0.00 52.86 52.91 1w2k s ASN 175 Cb -0.24 -2.00 0.04 0.00 0.41 0.00 0.00 41.25 39.46 1w2k s ASN 175 CO 0.59 0.04 1.32 -0.63 -1.51 0.00 0.00 177.10 176.92 1w2k s ILE 176 N -1.72 3.78 0.55 0.60 -1.09 -1.26 -4.98 121.20 117.08 1w2k s ILE 176 Ca 0.37 0.08 -0.09 0.00 -2.23 0.00 0.00 60.65 58.79 1w2k s ILE 176 Cb -0.12 -4.95 0.13 0.00 -1.58 0.00 0.00 42.46 35.94 1w2k s ILE 176 CO 0.28 -1.88 0.60 0.35 -1.23 0.00 0.00 174.94 173.06 1w2k n THR 177 N 6.51 0.00 1.65 2.92 -2.24 -1.26 -4.92 114.28 116.94 1w2k n THR 177 Ca 0.11 -0.36 0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1w2k n THR 177 Cb 0.50 -1.43 0.55 0.00 -2.10 0.00 0.00 70.33 67.84 1w2k n THR 177 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1w2k n GLU 178 N -2.78 1.36 -0.60 -0.78 0.00 -1.26 -3.42 120.64 113.16 1w2k n GLU 178 Ca 0.08 -0.53 0.08 0.00 0.00 0.00 0.00 57.16 56.79 1w2k n GLU 178 Cb 0.29 -1.39 0.32 0.00 0.00 0.00 0.00 31.44 30.66 1w2k n GLU 178 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1w2k n TYR 179 N -0.29 1.38 -3.56 -1.84 4.02 -1.26 -4.92 117.16 110.70 1w2k n TYR 179 Ca 0.17 -0.71 -0.11 0.00 -0.01 0.00 0.00 57.90 57.24 1w2k n TYR 179 Cb 0.21 -0.32 -0.04 0.00 -0.02 0.00 0.00 39.34 39.17 1w2k n TYR 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1w2k s MET 180 N -2.30 1.12 0.06 -0.72 0.23 -1.22 -1.43 119.30 115.05 1w2k s MET 180 Ca 0.47 -0.56 -0.06 0.00 -1.03 0.00 0.00 55.69 54.51 1w2k s MET 180 Cb 0.33 0.50 -0.01 0.00 -1.53 0.00 0.00 34.83 34.13 1w2k s MET 180 CO 0.17 -0.45 0.12 -0.59 -2.03 0.00 0.00 175.02 172.24 1w2k s PHE 181 N -3.55 0.23 0.11 3.16 -0.71 -0.64 -4.70 117.98 111.89 1w2k s PHE 181 Ca 0.01 -0.64 0.01 0.00 -1.04 0.00 0.00 56.93 55.27 1w2k s PHE 181 Cb 0.01 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1w2k s PHE 181 CO -0.10 -0.46 0.26 0.00 -1.34 0.00 0.00 175.22 173.57 1w2k s ALA 183 N -1.64 -1.51 0.00 0.00 0.00 -0.36 -1.71 121.76 116.53 1w2k s ALA 183 Ca 0.35 1.85 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1w2k s ALA 183 Cb -0.12 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1w2k s ALA 183 CO 0.28 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1w2k n GLY 184 N 3.37 0.98 3.34 0.00 0.00 -0.64 -1.47 105.19 110.77 1w2k n GLY 184 Ca -0.17 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.74 1w2k n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w2k s TYR 184 N -2.71 1.82 -1.72 1.61 1.51 -1.25 -4.53 117.35 112.09 1w2k s TYR 184 Ca 0.00 -0.47 0.15 0.00 -1.01 0.00 0.00 57.07 55.74 1w2k s TYR 184 Cb 0.00 -0.90 0.08 0.00 -0.11 0.00 0.00 41.96 41.03 1w2k s TYR 184 CO 0.00 0.34 0.92 -1.13 -1.11 0.00 0.00 175.55 174.57 1w2k n SER 185 N 0.24 2.02 0.02 2.29 3.41 -1.25 -4.40 113.62 115.95 1w2k n SER 185 Ca -0.13 -1.51 0.10 0.00 -0.26 0.00 0.00 58.87 57.08 1w2k n SER 185 Cb 0.57 0.16 0.44 0.00 -0.26 0.00 0.00 64.21 65.12 1w2k n SER 185 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1w2k n ASP 186 N 0.52 0.12 0.00 4.04 5.68 -1.26 0.43 116.55 126.08 1w2k n ASP 186 Ca 0.08 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.89 1w2k n ASP 186 Cb 0.36 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1w2k n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1w2k n GLY 187 N 0.61 0.72 0.12 6.12 0.00 -1.26 -4.68 105.19 106.82 1w2k n GLY 187 Ca 0.05 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1w2k n GLY 187 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w2k h SER 188 N 0.00 0.14 -4.55 1.61 4.64 -1.87 -3.46 113.55 110.06 1w2k h SER 188 Ca 0.00 -0.66 -0.26 0.00 -0.47 0.00 0.00 61.79 60.40 1w2k h SER 188 Cb 0.00 -0.05 -0.17 0.00 -0.31 0.00 0.00 62.40 61.88 1w2k h SER 188 CO 0.00 1.60 -0.71 -0.54 -0.87 0.00 0.00 176.83 176.31 1w2k s LYS 188 N -2.42 0.79 0.00 4.77 1.02 -1.26 -4.17 119.74 118.47 1w2k s LYS 188 Ca -0.26 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.54 1w2k s LYS 188 Cb 0.06 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.06 1w2k s LYS 188 CO 0.65 0.02 0.00 -3.47 -0.92 0.00 0.00 175.35 171.63 1w2k n ASP 189 N 0.37 0.00 -4.20 2.83 4.64 -0.89 -3.85 116.55 115.45 1w2k n ASP 189 Ca -0.15 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 52.97 1w2k n ASP 189 Cb 0.59 0.00 0.18 0.00 -1.04 0.00 0.00 41.12 40.85 1w2k n ASP 189 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 1w2k s SER 190 N 0.00 3.26 0.07 1.67 1.04 -1.26 -0.67 113.70 117.81 1w2k s SER 190 Ca 0.00 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.49 1w2k s SER 190 Cb 0.00 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.88 1w2k s SER 190 CO 0.00 -2.63 0.27 0.00 0.98 0.00 0.00 173.24 171.86 1w2k n LYS 192 N 0.31 -0.09 0.00 0.00 4.81 -1.26 0.23 118.16 122.16 1w2k n LYS 192 Ca -0.17 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1w2k n LYS 192 Cb 0.61 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 35.19 1w2k n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1w2k n GLY 193 N -1.05 -0.32 0.80 3.14 0.00 -1.26 -0.15 105.19 106.35 1w2k n GLY 193 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1w2k n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w2k n ASP 194 N -1.30 2.58 -4.54 1.61 8.00 0.64 -3.98 116.55 119.56 1w2k n ASP 194 Ca 0.00 -1.82 -0.44 0.00 0.71 0.00 0.00 54.79 53.24 1w2k n ASP 194 Cb 0.05 0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 1w2k n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1w2k n SER 195 N 0.91 0.50 0.00 -2.24 7.64 0.79 -1.07 113.62 120.15 1w2k n SER 195 Ca 0.14 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1w2k n SER 195 Cb 0.54 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 1w2k n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1w2k n GLY 196 N 1.44 2.81 3.66 0.23 0.00 0.52 -0.63 105.19 113.22 1w2k n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1w2k n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1w2k s GLY 197 N -1.65 1.65 0.83 -0.02 0.00 -0.23 -3.74 107.32 104.16 1w2k s GLY 197 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.93 1w2k s GLY 197 CO 0.00 0.80 1.12 2.56 0.00 0.00 0.00 173.10 177.58 1w2k s PRO 198 N -4.68 1.79 -0.41 2.90 0.04 -1.26 -1.01 135.00 132.37 1w2k s PRO 198 Ca 0.66 0.47 0.04 0.00 0.04 0.00 0.00 61.00 62.21 1w2k s PRO 198 Cb -0.22 -1.90 0.17 0.00 0.04 0.00 0.00 34.50 32.59 1w2k s PRO 198 CO 0.59 -1.78 0.35 -1.58 0.04 0.00 0.00 177.00 174.61 1w2k s HIS 199 N -3.24 0.86 -0.01 0.56 2.46 -0.59 -3.92 115.29 111.41 1w2k s HIS 199 Ca 0.62 -2.12 -0.23 0.00 0.47 0.00 0.00 55.06 53.79 1w2k s HIS 199 Cb -0.14 -0.83 -0.05 0.00 -0.13 0.00 0.00 32.58 31.43 1w2k s HIS 199 CO 0.53 -0.86 0.68 0.00 -2.47 0.00 0.00 174.74 172.63 1w2k s ALA 200 N 0.24 3.40 -0.11 1.58 0.00 -1.01 -1.76 121.76 124.10 1w2k s ALA 200 Ca 0.31 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1w2k s ALA 200 Cb 0.01 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1w2k s ALA 200 CO -0.17 0.05 0.03 0.99 0.00 0.00 0.00 175.76 176.67 1w2k s THR 201 N 0.16 4.57 -0.29 0.00 2.01 -0.04 -2.06 115.64 119.99 1w2k s THR 201 Ca 0.35 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 1w2k s THR 201 Cb -0.19 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 1w2k s THR 201 CO 0.19 0.59 0.19 -2.28 -0.69 0.00 0.00 174.62 172.62 1w2k s HIS 202 N -0.71 3.20 -0.03 4.92 2.46 -1.26 -1.08 115.29 122.79 1w2k s HIS 202 Ca 0.12 -0.08 0.00 0.00 0.47 0.00 0.00 55.06 55.56 1w2k s HIS 202 Cb -0.12 -2.39 0.03 0.00 -0.13 0.00 0.00 32.58 29.97 1w2k s HIS 202 CO 0.02 -0.26 0.01 -0.47 -2.47 0.00 0.00 174.74 171.57 1w2k s TYR 203 N 1.72 0.29 -1.01 3.88 6.14 -0.53 -4.93 117.35 122.91 1w2k s TYR 203 Ca 0.06 0.02 -0.12 0.00 0.64 0.00 0.00 57.07 57.68 1w2k s TYR 203 Cb -0.16 -0.43 0.02 0.00 0.42 0.00 0.00 41.96 41.81 1w2k s TYR 203 CO 0.10 -0.14 0.23 0.54 0.64 0.00 0.00 175.55 176.91 1w2k n ARG 204 N 4.32 -0.71 -0.32 4.97 1.74 -1.26 -1.13 116.66 124.27 1w2k n ARG 204 Ca -0.23 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 1w2k n ARG 204 Cb 0.50 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 1w2k n ARG 204 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1w2k n GLY 205 N -1.98 1.46 3.06 -0.13 0.00 -1.26 -5.04 105.19 101.30 1w2k n GLY 205 Ca -0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1w2k n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w2k s THR 206 N -2.99 0.69 -0.03 2.61 2.01 -0.29 -5.15 115.64 112.50 1w2k s THR 206 Ca 0.00 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1w2k s THR 206 Cb 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1w2k s THR 206 CO 0.00 -0.12 0.23 0.26 -0.69 0.00 0.00 174.62 174.29 1w2k s TRP 207 N -0.87 3.59 0.18 4.92 0.52 -1.26 -1.45 118.94 124.56 1w2k s TRP 207 Ca -0.03 0.55 0.05 0.00 0.02 0.00 0.00 56.10 56.69 1w2k s TRP 207 Cb -0.07 -1.97 -0.05 0.00 -1.15 0.00 0.00 33.47 30.23 1w2k s TRP 207 CO 0.01 0.66 -0.09 0.71 0.02 0.00 0.00 176.95 178.25 1w2k s TYR 208 N -1.21 1.43 -0.27 -1.98 2.02 -0.24 -3.06 117.35 114.04 1w2k s TYR 208 Ca 0.24 -0.76 -0.16 0.00 -0.37 0.00 0.00 57.07 56.02 1w2k s TYR 208 Cb -0.13 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1w2k s TYR 208 CO 0.13 0.11 0.43 -1.17 -1.57 0.00 0.00 175.55 173.48 1w2k s LEU 209 N -3.23 4.05 0.00 -1.29 2.96 0.20 -0.86 118.68 120.51 1w2k s LEU 209 Ca 0.21 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1w2k s LEU 209 Cb 0.03 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1w2k s LEU 209 CO 0.04 -0.23 0.15 0.35 -1.32 0.00 0.00 176.35 175.34 1w2k n THR 210 N 5.14 0.00 -3.76 3.68 -2.24 -0.84 -4.44 114.28 111.81 1w2k n THR 210 Ca -0.07 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 1w2k n THR 210 Cb 0.50 1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 69.99 1w2k n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1w2k s GLY 211 N -0.20 -0.03 -0.04 3.38 0.00 -0.72 -3.53 107.32 106.17 1w2k s GLY 211 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 1w2k s GLY 211 CO 0.00 -0.34 0.04 -0.42 0.00 0.00 0.00 173.10 172.38 1w2k s ILE 212 N -3.88 0.01 -0.45 0.90 1.01 -1.16 -1.54 121.20 116.09 1w2k s ILE 212 Ca 0.10 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 1w2k s ILE 212 Cb -0.00 -0.22 -0.09 0.00 0.01 0.00 0.00 42.46 42.16 1w2k s ILE 212 CO -0.03 0.18 2.36 0.52 0.00 0.00 0.00 174.94 177.96 1w2k n VAL 213 N 4.98 0.08 -0.01 2.92 0.31 -0.18 -1.08 118.33 125.37 1w2k n VAL 213 Ca -0.10 -0.52 -0.01 0.00 -0.01 0.00 0.00 64.34 63.70 1w2k n VAL 213 Cb 0.50 -2.26 -0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1w2k n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1w2k n SER 214 N 13.08 0.12 -1.49 4.52 2.88 -1.02 -0.35 113.62 131.36 1w2k n SER 214 Ca 0.39 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.93 1w2k n SER 214 Cb 0.40 -0.50 0.01 0.00 -0.75 0.00 0.00 64.21 63.36 1w2k n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1w2k n TRP 215 N -2.63 -1.27 0.00 0.66 4.27 -0.72 -4.88 117.44 112.87 1w2k n TRP 215 Ca -0.01 -0.52 0.00 0.00 -3.89 0.00 0.00 57.50 53.08 1w2k n TRP 215 Cb 0.03 0.24 0.00 0.00 -1.36 0.00 0.00 31.31 30.22 1w2k n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1w2k n GLY 216 N -0.15 -0.90 3.42 -1.67 0.00 -1.26 -1.33 105.19 103.30 1w2k n GLY 216 Ca -0.02 -1.12 -0.45 0.00 0.00 0.00 0.00 46.02 44.43 1w2k n GLY 216 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w2k s GLN 217 N -2.00 3.97 3.54 1.61 -1.52 -1.26 -4.91 119.66 119.08 1w2k s GLN 217 Ca 0.00 -2.57 0.00 0.00 -1.95 0.00 0.00 55.36 50.84 1w2k s GLN 217 Cb 0.00 -4.84 0.00 0.00 -0.22 0.00 0.00 33.01 27.95 1w2k s GLN 217 CO 0.00 -1.58 0.00 0.41 -0.25 0.00 0.00 175.29 173.87 1w2k n GLY 219 N 4.00 0.21 2.90 3.09 0.00 -1.26 -4.33 105.19 109.80 1w2k n GLY 219 Ca 0.28 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1w2k n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2k n ALA 221 N 4.55 -2.18 -2.38 0.00 0.00 -1.26 -4.61 120.51 114.63 1w2k n ALA 221 Ca -0.16 -0.26 -0.38 0.00 0.00 0.00 0.00 53.44 52.64 1w2k n ALA 221 Cb 0.51 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 1w2k n ALA 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1w2k s THR 221 N -3.78 4.87 0.06 0.00 2.01 -1.26 -4.26 115.64 113.28 1w2k s THR 221 Ca 0.14 1.05 -0.32 0.00 0.31 0.00 0.00 61.69 62.88 1w2k s THR 221 Cb -0.05 -3.82 -0.11 0.00 0.01 0.00 0.00 72.50 68.53 1w2k s THR 221 CO 0.87 0.56 1.85 0.52 -0.69 0.00 0.00 174.62 177.74 1w2k n VAL 222 N 1.78 0.47 -1.01 3.82 0.31 -1.26 -1.86 118.33 120.59 1w2k n VAL 222 Ca -0.12 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1w2k n VAL 222 Cb 0.51 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1w2k n VAL 222 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1w2k n GLY 223 N 4.26 0.80 3.22 2.92 0.00 0.17 -4.93 105.19 111.64 1w2k n GLY 223 Ca 0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1w2k n GLY 223 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w2k s HIS 224 N -2.00 -0.15 0.45 1.61 4.02 -0.78 -1.76 115.29 116.68 1w2k s HIS 224 Ca 0.00 0.22 0.06 0.00 1.02 0.00 0.00 55.06 56.36 1w2k s HIS 224 Cb 0.00 0.08 -0.04 0.00 -1.02 0.00 0.00 32.58 31.60 1w2k s HIS 224 CO 0.00 -0.38 0.15 -0.06 1.02 0.00 0.00 174.74 175.47 1w2k s PHE 225 N -1.32 2.29 0.25 1.40 0.40 -1.26 -3.88 117.98 115.86 1w2k s PHE 225 Ca -0.14 -0.72 -0.13 0.00 -0.60 0.00 0.00 56.93 55.35 1w2k s PHE 225 Cb -0.05 -1.85 -0.08 0.00 0.51 0.00 0.00 43.02 41.54 1w2k s PHE 225 CO 0.04 0.14 0.62 0.20 0.70 0.00 0.00 175.22 176.92 1w2k s GLY 226 N -3.92 2.34 -0.16 4.36 0.00 -0.54 -4.61 107.32 104.79 1w2k s GLY 226 Ca 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 44.72 44.91 1w2k s GLY 226 CO 0.18 0.07 -0.12 0.14 0.00 0.00 0.00 173.10 173.37 1w2k s VAL 227 N -1.81 3.00 0.07 1.40 1.01 -0.44 -1.23 120.40 122.41 1w2k s VAL 227 Ca 0.48 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.90 1w2k s VAL 227 Cb -0.12 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1w2k s VAL 227 CO 0.20 0.50 -0.26 -0.31 0.00 0.00 0.00 175.10 175.23 1w2k s TYR 228 N 0.75 2.34 0.27 5.22 1.51 -0.21 -1.75 117.35 125.48 1w2k s TYR 228 Ca -0.05 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 1w2k s TYR 228 Cb -0.15 -1.35 -0.10 0.00 -0.11 0.00 0.00 41.96 40.25 1w2k s TYR 228 CO 0.01 0.21 1.38 0.99 -1.11 0.00 0.00 175.55 177.04 1w2k s THR 229 N -0.90 2.72 -1.05 -0.71 2.01 -0.24 -1.62 115.64 115.85 1w2k s THR 229 Ca 0.13 0.64 -0.21 0.00 0.31 0.00 0.00 61.69 62.56 1w2k s THR 229 Cb -0.10 -3.41 0.08 0.00 0.01 0.00 0.00 72.50 69.08 1w2k s THR 229 CO 0.04 0.12 1.42 -0.60 -0.69 0.00 0.00 174.62 174.90 1w2k s ARG 230 N -0.84 3.68 0.35 4.92 3.52 -0.51 -3.00 118.95 127.06 1w2k s ARG 230 Ca 0.56 -1.47 0.15 0.00 -0.13 0.00 0.00 55.73 54.84 1w2k s ARG 230 Cb -0.41 -5.27 1.07 0.00 -1.56 0.00 0.00 34.95 28.78 1w2k s ARG 230 CO 0.46 -2.09 1.69 0.28 -0.81 0.00 0.00 175.30 174.83 1w2k h VAL 231 N 6.29 0.38 -0.21 7.11 2.07 -1.88 -1.67 116.25 128.34 1w2k h VAL 231 Ca 0.23 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.68 1w2k h VAL 231 Cb 0.99 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1w2k h VAL 231 CO 1.35 0.07 0.35 0.77 0.02 0.00 0.00 177.57 180.13 1w2k h SER 232 N 0.38 0.00 0.32 0.57 4.64 -1.87 0.13 113.55 117.72 1w2k h SER 232 Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1w2k h SER 232 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1w2k h SER 232 CO -0.51 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.36 1w2k n GLN 233 N -3.41 0.75 -0.02 4.77 1.13 -0.63 -3.89 117.38 116.09 1w2k n GLN 233 Ca 0.03 -0.24 0.01 0.00 -1.94 0.00 0.00 57.00 54.86 1w2k n GLN 233 Cb 0.46 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.33 1w2k n GLN 233 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1w2k n TYR 234 N -0.92 0.00 0.42 1.08 4.02 0.46 -4.83 117.16 117.39 1w2k n TYR 234 Ca 0.15 -0.44 -0.19 0.00 -0.01 0.00 0.00 57.90 57.42 1w2k n TYR 234 Cb 0.26 -0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.44 1w2k n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1w2k h ILE 235 N 0.75 0.09 -0.29 -0.72 2.04 -1.65 0.24 117.51 117.97 1w2k h ILE 235 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 1w2k h ILE 235 Cb 0.66 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1w2k h ILE 235 CO 0.00 0.00 -0.08 -0.33 0.00 0.00 0.00 178.15 177.74 1w2k h GLU 236 N -1.14 -0.01 -0.29 2.37 5.08 -1.88 0.22 114.58 118.93 1w2k h GLU 236 Ca -0.10 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1w2k h GLU 236 Cb 0.91 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 1w2k h GLU 236 CO 0.12 -0.01 -0.52 2.35 -1.00 0.00 0.00 179.01 179.94 1w2k h TRP 237 N -0.01 -1.59 -0.63 4.33 7.01 -1.80 0.61 115.95 123.86 1w2k h TRP 237 Ca 0.14 0.07 0.08 0.00 2.11 0.00 0.00 58.89 61.29 1w2k h TRP 237 Cb 0.23 0.73 -0.06 0.00 -2.10 0.00 0.00 29.16 27.96 1w2k h TRP 237 CO -0.29 -0.49 0.29 -0.07 -2.79 0.00 0.00 178.44 175.10 1w2k h LEU 238 N -0.44 0.37 -0.89 0.65 3.38 0.05 -2.45 115.31 115.97 1w2k h LEU 238 Ca 0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1w2k h LEU 238 Cb 0.59 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1w2k h LEU 238 CO -0.51 0.23 0.59 1.56 0.09 0.00 0.00 178.44 180.40 1w2k h GLN 239 N 0.53 1.18 0.02 1.13 4.20 0.79 -1.00 115.11 121.96 1w2k h GLN 239 Ca 0.30 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1w2k h GLN 239 Cb 0.29 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1w2k h GLN 239 CO -0.24 0.78 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.47 1w2k h LYS 240 N 1.21 -0.02 -0.89 1.46 3.64 -0.64 -3.00 116.57 118.33 1w2k h LYS 240 Ca 0.33 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.81 1w2k h LYS 240 Cb -0.14 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.61 1w2k h LYS 240 CO -0.07 0.22 0.53 -0.07 -2.27 0.00 0.00 179.45 177.79 1w2k h LEU 241 N -0.26 0.76 -1.94 5.20 3.38 -1.18 -0.31 115.31 120.95 1w2k h LEU 241 Ca -0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1w2k h LEU 241 Cb 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1w2k h LEU 241 CO 0.00 0.42 -0.08 0.24 0.09 0.00 0.00 178.44 179.11 1w2k h MET 242 N 0.86 0.00 -0.54 1.13 2.86 -1.11 -1.61 114.93 116.52 1w2k h MET 242 Ca 0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1w2k h MET 242 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1w2k h MET 242 CO -0.26 0.08 0.00 0.54 1.06 0.00 0.00 176.91 178.33 1w2k n ARG 243 N -3.41 4.18 -4.11 1.72 1.74 -0.16 -4.96 116.66 111.65 1w2k n ARG 243 Ca -0.01 -3.00 -0.27 0.00 -0.77 0.00 0.00 57.85 53.80 1w2k n ARG 243 Cb 0.24 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.46 29.56 1w2k n ARG 243 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1w2k s SER 244 N -1.02 5.29 0.29 0.55 1.04 -0.61 -5.06 113.70 114.19 1w2k s SER 244 Ca 0.51 -0.19 -0.29 0.00 0.48 0.00 0.00 55.95 56.46 1w2k s SER 244 Cb 0.37 -1.32 -0.10 0.00 0.10 0.00 0.00 66.02 65.07 1w2k s SER 244 CO 0.17 0.09 1.20 -1.61 0.98 0.00 0.00 173.24 174.08 1w2k s GLU 245 N -2.93 4.50 -0.43 4.02 2.02 -1.26 -4.95 118.70 119.67 1w2k s GLU 245 Ca 0.29 1.99 -0.26 0.00 0.02 0.00 0.00 54.97 57.01 1w2k s GLU 245 Cb -0.10 -3.15 -0.06 0.00 0.10 0.00 0.00 34.13 30.92 1w2k s GLU 245 CO 0.22 0.01 2.35 -2.14 0.02 0.00 0.00 175.26 175.72 1w2k s PRO 246 N -1.42 2.33 0.45 0.39 0.02 -1.26 -5.00 135.00 130.51 1w2k s PRO 246 Ca 0.47 1.52 -0.16 0.00 0.02 0.00 0.00 61.00 62.86 1w2k s PRO 246 Cb -0.35 -4.53 -0.08 0.00 0.02 0.00 0.00 34.50 29.55 1w2k s PRO 246 CO 0.45 -3.01 0.90 1.03 -0.33 0.00 0.00 177.00 176.04 1w2k s ARG 247 N 7.82 3.96 0.97 5.54 0.52 -1.26 -5.05 118.95 131.45 1w2k s ARG 247 Ca 0.97 0.83 -0.11 0.00 -0.52 0.00 0.00 55.73 56.91 1w2k s ARG 247 Cb -0.20 -2.24 0.15 0.00 0.52 0.00 0.00 34.95 33.18 1w2k s ARG 247 CO 0.28 -0.12 0.97 -2.30 0.02 0.00 0.00 175.30 174.15 1w2k n PRO 248 N -1.21 -0.81 -0.75 3.54 -0.02 -1.26 -4.82 135.00 129.66 1w2k n PRO 248 Ca 0.05 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1w2k n PRO 248 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1w2k n PRO 248 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w2k n GLY 249 N 0.65 -3.90 0.23 -1.23 0.00 -1.26 -4.81 105.19 94.85 1w2k n GLY 249 Ca 0.09 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 1w2k n GLY 249 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1w2k h VAL 250 N 1.03 1.22 -3.37 1.61 2.07 -1.88 -3.43 116.25 113.51 1w2k h VAL 250 Ca 0.00 -0.69 -0.56 0.00 0.82 0.00 0.00 66.70 66.27 1w2k h VAL 250 Cb 0.00 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1w2k h VAL 250 CO 0.00 0.26 0.09 -0.22 0.02 0.00 0.00 177.57 177.71 1w2k s LEU 251 N -9.74 4.35 -0.20 2.57 2.96 -1.26 0.39 118.68 117.74 1w2k s LEU 251 Ca -0.13 1.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.96 1w2k s LEU 251 Cb 0.11 -3.08 0.07 0.00 0.50 0.00 0.00 46.19 43.79 1w2k s LEU 251 CO 0.77 -0.07 0.10 -0.22 -1.32 0.00 0.00 176.35 175.61 1w2k s LEU 252 N 0.55 0.40 -0.71 -0.68 2.96 -0.77 -4.95 118.68 115.49 1w2k s LEU 252 Ca 0.37 -0.77 -0.25 0.00 -0.22 0.00 0.00 54.13 53.26 1w2k s LEU 252 Cb -0.18 -0.27 0.05 0.00 0.50 0.00 0.00 46.19 46.28 1w2k s LEU 252 CO 0.19 -0.37 1.16 -0.13 -1.32 0.00 0.00 176.35 175.87 1w2k s ARG 253 N 2.13 3.16 0.29 1.98 3.00 -1.26 -2.17 118.95 126.07 1w2k s ARG 253 Ca 0.04 -0.47 -0.15 0.00 0.00 0.00 0.00 55.73 55.14 1w2k s ARG 253 Cb -0.16 -4.20 -0.09 0.00 0.00 0.00 0.00 34.95 30.51 1w2k s ARG 253 CO -0.15 -2.02 0.71 0.00 0.00 0.00 0.00 175.30 173.84 1w2k s ALA 254 N 5.09 3.37 0.45 2.13 0.00 -0.46 -4.63 121.76 127.70 1w2k s ALA 254 Ca 0.30 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.07 1w2k s ALA 254 Cb -0.11 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 20.19 1w2k s ALA 254 CO 0.13 0.35 1.11 -1.25 0.00 0.00 0.00 175.76 176.10 1w2k s PRO 255 N -2.74 3.85 -0.11 0.00 0.04 -1.26 0.17 135.00 134.95 1w2k s PRO 255 Ca 0.51 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 1w2k s PRO 255 Cb -0.12 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 32.10 1w2k s PRO 255 CO 0.18 -0.44 0.26 0.12 0.04 0.00 0.00 177.00 177.17 1w2k s PHE 256 N -1.66 -0.35 -1.08 0.56 5.36 -1.26 -4.77 117.98 114.78 1w2k s PHE 256 Ca 0.63 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 1w2k s PHE 256 Cb -0.24 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 1w2k s PHE 256 CO 0.30 -0.24 0.27 -2.30 -1.46 0.00 0.00 175.22 171.78