#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mo6 s VAL 17 N 0.00 5.09 -0.87 2.52 1.01 0.35 -4.24 120.40 124.26 3mo6 s VAL 17 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.00 3mo6 s VAL 17 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3mo6 s VAL 17 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3mo6 n GLY 18 N 2.85 0.09 3.99 4.51 0.00 -1.25 -2.03 105.19 113.34 3mo6 n GLY 18 Ca -0.08 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 3mo6 n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mo6 s GLY 19 N -2.59 1.76 0.14 -0.02 0.00 -1.26 -4.82 107.32 100.53 3mo6 s GLY 19 Ca 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 44.72 43.06 3mo6 s GLY 19 CO 0.00 -1.17 -0.14 -0.51 0.00 0.00 0.00 173.10 171.28 3mo6 s THR 20 N -3.12 1.42 0.09 0.90 -4.23 0.02 -4.92 115.64 105.81 3mo6 s THR 20 Ca 0.66 -1.86 -0.31 0.00 -1.18 0.00 0.00 61.69 59.00 3mo6 s THR 20 Cb -0.06 -1.68 -0.08 0.00 1.34 0.00 0.00 72.50 72.02 3mo6 s THR 20 CO 0.44 -0.48 1.51 -0.70 -0.54 0.00 0.00 174.62 174.85 3mo6 s GLU 21 N -2.98 4.25 0.45 3.99 2.12 -1.26 -0.61 118.70 124.66 3mo6 s GLU 21 Ca 0.13 2.20 -0.22 0.00 0.36 0.00 0.00 54.97 57.44 3mo6 s GLU 21 Cb -0.03 -3.39 -0.08 0.00 0.26 0.00 0.00 34.13 30.89 3mo6 s GLU 21 CO 0.04 -0.59 1.07 0.00 -0.54 0.00 0.00 175.26 175.24 3mo6 s ALA 22 N 1.80 2.96 0.54 6.30 0.00 -0.52 -4.85 121.76 128.00 3mo6 s ALA 22 Ca 0.69 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.16 3mo6 s ALA 22 Cb -0.38 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 3mo6 s ALA 22 CO 0.30 -0.37 1.21 -0.65 0.00 0.00 0.00 175.76 176.25 3mo6 s GLN 23 N -2.85 3.27 0.07 0.00 -1.52 -1.26 -4.90 119.66 112.47 3mo6 s GLN 23 Ca 0.63 1.84 0.22 0.00 -1.95 0.00 0.00 55.36 56.10 3mo6 s GLN 23 Cb -0.21 -2.12 0.89 0.00 -0.22 0.00 0.00 33.01 31.36 3mo6 s GLN 23 CO 0.26 -0.97 1.69 2.89 -0.25 0.00 0.00 175.29 178.91 3mo6 n ARG 24 N -1.17 0.07 -0.26 2.91 1.85 -1.26 -2.15 116.66 116.65 3mo6 n ARG 24 Ca 0.11 0.20 0.07 0.00 -1.00 0.00 0.00 57.85 57.23 3mo6 n ARG 24 Cb 0.49 -1.60 0.18 0.00 -1.05 0.00 0.00 32.46 30.48 3mo6 n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3mo6 n ASN 25 N -1.72 3.17 0.06 2.89 0.23 -1.26 -4.74 115.26 113.89 3mo6 n ASN 25 Ca 0.05 -2.57 -0.11 0.00 -0.53 0.00 0.00 54.58 51.42 3mo6 n ASN 25 Cb 0.27 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 3mo6 n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3mo6 h SER 26 N 1.47 0.46 -2.08 0.53 0.02 -1.78 -3.40 113.55 108.77 3mo6 h SER 26 Ca 0.00 -0.33 -0.58 0.00 -0.84 0.00 0.00 61.79 60.05 3mo6 h SER 26 Cb 1.05 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.05 3mo6 h SER 26 CO 0.10 1.09 -0.89 0.79 -1.14 0.00 0.00 176.83 176.77 3mo6 n TRP 27 N -3.78 1.30 1.18 3.45 7.02 -1.26 -4.96 117.44 120.38 3mo6 n TRP 27 Ca -0.05 -3.81 0.12 0.00 -1.02 0.00 0.00 57.50 52.75 3mo6 n TRP 27 Cb 0.76 -0.43 0.63 0.00 -2.42 0.00 0.00 31.31 29.84 3mo6 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3mo6 n PRO 28 N 1.18 0.34 0.00 -0.99 -0.04 -1.26 -2.13 135.00 132.10 3mo6 n PRO 28 Ca 0.25 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 3mo6 n PRO 28 Cb 0.48 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.81 3mo6 n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mo6 n SER 29 N -1.29 1.15 -4.73 3.54 3.41 -1.22 -2.00 113.62 112.48 3mo6 n SER 29 Ca 0.12 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 3mo6 n SER 29 Cb 0.20 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3mo6 n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3mo6 s GLN 30 N -2.43 4.39 0.24 4.33 2.00 -0.91 -1.01 119.66 126.27 3mo6 s GLN 30 Ca 0.26 1.99 0.11 0.00 -2.00 0.00 0.00 55.36 55.72 3mo6 s GLN 30 Cb 0.19 -3.24 -0.05 0.00 0.80 0.00 0.00 33.01 30.71 3mo6 s GLN 30 CO 0.50 -0.29 -0.19 0.96 -0.50 0.00 0.00 175.29 175.76 3mo6 s ILE 31 N 0.58 2.54 -0.24 -2.34 -5.25 -0.59 -4.44 121.20 111.45 3mo6 s ILE 31 Ca 0.59 -2.20 -0.07 0.00 -0.99 0.00 0.00 60.65 57.98 3mo6 s ILE 31 Cb -0.35 -2.29 -0.03 0.00 2.95 0.00 0.00 42.46 42.74 3mo6 s ILE 31 CO 0.34 -0.28 0.06 -0.55 -1.79 0.00 0.00 174.94 172.71 3mo6 s SER 32 N -3.19 5.06 -0.17 4.36 0.15 -0.71 -2.89 113.70 116.32 3mo6 s SER 32 Ca 0.27 -0.22 -0.17 0.00 0.70 0.00 0.00 55.95 56.53 3mo6 s SER 32 Cb -0.06 -1.91 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 3mo6 s SER 32 CO 0.14 -0.03 0.44 -0.22 1.20 0.00 0.00 173.24 174.76 3mo6 s LEU 33 N 1.57 4.21 0.12 3.45 2.96 0.26 -1.00 118.68 130.26 3mo6 s LEU 33 Ca 0.06 0.65 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 3mo6 s LEU 33 Cb -0.15 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 3mo6 s LEU 33 CO 0.03 -0.05 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.75 3mo6 s GLN 34 N 1.01 1.09 0.17 1.98 -0.21 -0.20 -1.03 119.66 122.47 3mo6 s GLN 34 Ca 0.22 -1.24 0.09 0.00 0.02 0.00 0.00 55.36 54.45 3mo6 s GLN 34 Cb -0.15 -1.10 -0.04 0.00 1.00 0.00 0.00 33.01 32.72 3mo6 s GLN 34 CO 0.09 0.23 -0.18 1.52 -2.12 0.00 0.00 175.29 174.82 3mo6 s TYR 35 N -1.84 1.83 -0.07 0.91 1.13 -0.26 -0.80 117.35 118.25 3mo6 s TYR 35 Ca 0.09 -0.47 -0.27 0.00 -1.41 0.00 0.00 57.07 55.00 3mo6 s TYR 35 Cb -0.07 -0.90 -0.03 0.00 -1.10 0.00 0.00 41.96 39.87 3mo6 s TYR 35 CO 0.04 0.35 0.88 0.50 -2.51 0.00 0.00 175.55 174.81 3mo6 s ARG 36 N -2.91 4.45 -0.43 -3.49 3.52 -0.90 -1.14 118.95 118.06 3mo6 s ARG 36 Ca 0.17 1.19 0.02 0.00 -0.13 0.00 0.00 55.73 56.98 3mo6 s ARG 36 Cb -0.05 -3.49 0.14 0.00 -1.56 0.00 0.00 34.95 29.98 3mo6 s ARG 36 CO 0.07 -0.12 0.24 0.45 -0.81 0.00 0.00 175.30 175.12 3mo6 s SER 36 N 1.00 3.57 1.79 -2.12 0.15 0.35 -4.81 113.70 113.63 3mo6 s SER 36 Ca 0.45 -2.59 0.00 0.00 0.70 0.00 0.00 55.95 54.51 3mo6 s SER 36 Cb -0.19 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 3mo6 s SER 36 CO 0.20 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.99 3mo6 n GLY 36 N 3.58 2.50 0.46 9.45 0.00 -1.26 -1.96 105.19 117.96 3mo6 n GLY 36 Ca 0.09 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3mo6 n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3mo6 n SER 36 N 10.45 1.59 -4.06 1.61 2.88 -1.26 -4.97 113.62 119.86 3mo6 n SER 36 Ca 0.00 -1.34 -0.27 0.00 -1.33 0.00 0.00 58.87 55.93 3mo6 n SER 36 Cb 0.00 0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 3mo6 n SER 36 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mo6 n SER 37 N -0.01 1.60 -4.36 -3.46 3.41 -0.83 -5.15 113.62 104.83 3mo6 n SER 37 Ca 0.14 -3.23 -0.25 0.00 -0.26 0.00 0.00 58.87 55.27 3mo6 n SER 37 Cb 0.40 0.94 -0.12 0.00 -0.26 0.00 0.00 64.21 65.17 3mo6 n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3mo6 s TRP 38 N -3.08 2.04 -0.02 7.33 0.52 -1.26 -0.50 118.94 123.98 3mo6 s TRP 38 Ca 0.18 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 55.90 3mo6 s TRP 38 Cb 0.01 -1.05 0.01 0.00 -1.15 0.00 0.00 33.47 31.29 3mo6 s TRP 38 CO 0.12 0.36 -0.03 0.00 0.02 0.00 0.00 176.95 177.43 3mo6 s ALA 39 N -1.61 0.40 0.23 0.98 0.00 -0.29 -4.89 121.76 116.58 3mo6 s ALA 39 Ca 0.15 -0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.75 3mo6 s ALA 39 Cb -0.08 -0.21 -0.11 0.00 0.00 0.00 0.00 23.12 22.72 3mo6 s ALA 39 CO 0.07 0.03 1.59 -1.58 0.00 0.00 0.00 175.76 175.87 3mo6 s HIS 40 N 0.40 2.92 -0.01 0.00 2.46 -1.26 -1.10 115.29 118.70 3mo6 s HIS 40 Ca -0.04 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.18 3mo6 s HIS 40 Cb -0.07 -4.00 -0.01 0.00 -0.13 0.00 0.00 32.58 28.37 3mo6 s HIS 40 CO -0.01 -3.54 -0.00 -2.37 -2.47 0.00 0.00 174.74 166.36 3mo6 n THR 41 N 3.09 0.03 -3.86 0.89 5.66 -0.19 -4.92 114.28 114.98 3mo6 n THR 41 Ca 0.11 -0.02 -0.05 0.00 -3.05 0.00 0.00 64.05 61.05 3mo6 n THR 41 Cb 0.38 -0.83 0.02 0.00 -1.55 0.00 0.00 70.33 68.34 3mo6 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mo6 n GLY 43 N -0.65 2.44 4.01 0.00 0.00 -0.01 -0.57 105.19 110.41 3mo6 n GLY 43 Ca -0.04 -2.25 0.03 0.00 0.00 0.00 0.00 46.02 43.76 3mo6 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mo6 s GLY 44 N -3.87 -0.12 -0.04 -0.02 0.00 -1.14 -3.82 107.32 98.29 3mo6 s GLY 44 Ca 0.35 0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.11 3mo6 s GLY 44 CO 0.22 6.03 -0.09 -1.59 0.00 0.00 0.00 173.10 177.68 3mo6 s THR 45 N -2.01 0.85 -0.12 0.90 2.01 -0.29 -1.54 115.64 115.43 3mo6 s THR 45 Ca 0.30 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.66 3mo6 s THR 45 Cb -0.01 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 3mo6 s THR 45 CO -0.01 0.28 1.03 -0.22 -0.69 0.00 0.00 174.62 175.01 3mo6 s LEU 46 N 0.52 4.22 -0.00 4.42 2.96 -0.18 -1.03 118.68 129.59 3mo6 s LEU 46 Ca -0.09 1.53 0.01 0.00 -0.22 0.00 0.00 54.13 55.36 3mo6 s LEU 46 Cb -0.13 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 3mo6 s LEU 46 CO 0.02 -0.50 0.03 2.30 -1.32 0.00 0.00 176.35 176.88 3mo6 n ILE 47 N 4.70 0.00 -4.16 6.68 -5.35 -0.27 -0.16 119.36 120.79 3mo6 n ILE 47 Ca 0.10 -0.16 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 3mo6 n ILE 47 Cb 0.48 0.63 -0.10 0.00 -1.74 0.00 0.00 39.64 38.92 3mo6 n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3mo6 s ARG 48 N -1.78 1.17 0.58 6.28 1.81 -0.98 -4.73 118.95 121.29 3mo6 s ARG 48 Ca -0.00 -1.54 0.38 0.00 -1.72 0.00 0.00 55.73 52.85 3mo6 s ARG 48 Cb 0.01 0.28 1.99 0.00 -0.45 0.00 0.00 34.95 36.78 3mo6 s ARG 48 CO 0.05 -0.38 2.17 1.96 -0.68 0.00 0.00 175.30 178.41 3mo6 h GLN 49 N 2.64 0.00 0.00 3.54 4.20 -1.96 -2.50 115.11 121.03 3mo6 h GLN 49 Ca -0.35 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 3mo6 h GLN 49 Cb 1.24 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 3mo6 h GLN 49 CO 0.53 0.00 -0.36 0.27 -0.67 0.00 0.00 178.83 178.59 3mo6 n ASN 50 N -2.92 1.30 -3.93 1.46 6.94 -1.26 -1.31 115.26 115.54 3mo6 n ASN 50 Ca -0.02 -2.71 -0.14 0.00 -0.02 0.00 0.00 54.58 51.69 3mo6 n ASN 50 Cb 0.12 -0.35 -0.14 0.00 -2.36 0.00 0.00 39.78 37.04 3mo6 n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3mo6 s TRP 51 N -1.61 0.30 -0.01 -2.53 0.52 -0.94 -0.65 118.94 114.01 3mo6 s TRP 51 Ca 0.22 -0.08 0.07 0.00 0.02 0.00 0.00 56.10 56.34 3mo6 s TRP 51 Cb 0.21 -0.19 -0.02 0.00 -1.15 0.00 0.00 33.47 32.32 3mo6 s TRP 51 CO -0.02 -0.01 -0.23 0.08 0.02 0.00 0.00 176.95 176.79 3mo6 s VAL 52 N -0.14 1.81 -0.14 4.03 1.01 -0.11 -1.11 120.40 125.74 3mo6 s VAL 52 Ca 0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 3mo6 s VAL 52 Cb -0.02 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3mo6 s VAL 52 CO -0.00 0.49 0.02 -0.32 0.00 0.00 0.00 175.10 175.29 3mo6 s MET 53 N -0.60 3.58 0.11 2.72 1.75 -0.19 -0.19 119.30 126.48 3mo6 s MET 53 Ca 0.09 -0.40 -0.00 0.00 -1.25 0.00 0.00 55.69 54.13 3mo6 s MET 53 Cb -0.09 -3.01 0.00 0.00 2.84 0.00 0.00 34.83 34.58 3mo6 s MET 53 CO -0.01 0.42 0.15 -2.37 -0.65 0.00 0.00 175.02 172.56 3mo6 n THR 54 N 3.05 0.00 -3.15 10.11 5.66 -0.58 -1.14 114.28 128.23 3mo6 n THR 54 Ca -0.18 -0.59 -0.36 0.00 -3.05 0.00 0.00 64.05 59.87 3mo6 n THR 54 Cb 0.53 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.61 3mo6 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mo6 s ALA 55 N -2.00 3.45 0.26 1.79 0.00 -1.26 -1.31 121.76 122.71 3mo6 s ALA 55 Ca 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 3mo6 s ALA 55 Cb -0.00 -2.76 0.40 0.00 0.00 0.00 0.00 23.12 20.75 3mo6 s ALA 55 CO 0.07 0.35 1.89 0.00 0.00 0.00 0.00 175.76 178.07 3mo6 h ALA 56 N 3.56 1.39 0.00 0.00 0.00 -1.70 -2.68 119.26 119.82 3mo6 h ALA 56 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3mo6 h ALA 56 Cb 1.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3mo6 h ALA 56 CO 0.65 0.46 0.00 1.12 0.00 0.00 0.00 179.25 181.48 3mo6 h HIS 57 N 1.19 0.00 0.00 0.00 2.07 -1.93 -2.35 115.15 114.12 3mo6 h HIS 57 Ca 0.43 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.90 3mo6 h HIS 57 Cb 0.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 3mo6 h HIS 57 CO -0.00 0.00 -0.25 0.00 -3.07 0.00 0.00 177.93 174.61 3mo6 n VAL 59 N -3.68 2.35 0.05 0.00 0.24 -0.89 -4.62 118.33 111.78 3mo6 n VAL 59 Ca -0.01 -2.70 -0.08 0.00 -2.04 0.00 0.00 64.34 59.51 3mo6 n VAL 59 Cb 0.37 -0.28 0.07 0.00 -1.47 0.00 0.00 33.84 32.53 3mo6 n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3mo6 h ASP 60 N 0.99 0.44 -3.81 -1.34 3.45 -1.51 -3.45 116.42 111.19 3mo6 h ASP 60 Ca 0.11 -0.26 -0.48 0.00 0.43 0.00 0.00 57.03 56.84 3mo6 h ASP 60 Cb 1.39 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 40.01 3mo6 h ASP 60 CO 0.22 0.95 0.18 -0.13 -1.57 0.00 0.00 179.24 178.89 3mo6 s ARG 61 N -3.79 4.13 -1.46 3.56 0.52 -1.26 -4.96 118.95 115.69 3mo6 s ARG 61 Ca -0.05 0.86 -0.09 0.00 -0.52 0.00 0.00 55.73 55.92 3mo6 s ARG 61 Cb 0.11 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 33.16 3mo6 s ARG 61 CO 0.82 0.15 2.53 0.39 0.02 0.00 0.00 175.30 179.21 3mo6 n GLU 62 N -0.24 3.82 -3.55 3.54 -0.58 -1.26 -4.93 120.64 117.44 3mo6 n GLU 62 Ca 0.04 -2.82 -0.19 0.00 -0.42 0.00 0.00 57.16 53.76 3mo6 n GLU 62 Cb 0.53 -2.85 -0.01 0.00 -0.57 0.00 0.00 31.44 28.54 3mo6 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3mo6 s LEU 63 N -0.22 3.86 -0.17 -4.62 1.43 -1.26 -5.09 118.68 112.60 3mo6 s LEU 63 Ca 0.57 -0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 53.16 3mo6 s LEU 63 Cb 0.16 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 3mo6 s LEU 63 CO -0.07 -0.42 0.76 -0.89 0.23 0.00 0.00 176.35 175.97 3mo6 s THR 64 N -2.22 4.93 0.10 5.49 2.01 -1.26 -5.03 115.64 119.66 3mo6 s THR 64 Ca 0.44 1.48 0.07 0.00 0.31 0.00 0.00 61.69 64.00 3mo6 s THR 64 Cb -0.08 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 3mo6 s THR 64 CO 0.30 0.06 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.80 3mo6 s PHE 65 N 2.02 2.67 0.14 4.92 0.08 -1.26 -2.11 117.98 124.43 3mo6 s PHE 65 Ca 0.35 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 57.25 3mo6 s PHE 65 Cb -0.16 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 3mo6 s PHE 65 CO 0.12 0.40 -0.09 -0.98 -0.10 0.00 0.00 175.22 174.58 3mo6 s ARG 65 N -2.11 1.00 -0.09 0.44 1.70 0.02 -3.35 118.95 116.57 3mo6 s ARG 65 Ca 0.20 -1.43 -0.00 0.00 -0.47 0.00 0.00 55.73 54.03 3mo6 s ARG 65 Cb -0.11 -0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 33.75 3mo6 s ARG 65 CO 0.12 0.04 -0.05 0.08 -1.08 0.00 0.00 175.30 174.41 3mo6 s VAL 66 N -3.42 3.83 -0.14 4.99 1.01 -0.11 -1.04 120.40 125.52 3mo6 s VAL 66 Ca 0.16 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3mo6 s VAL 66 Cb 0.03 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3mo6 s VAL 66 CO -0.01 0.58 -0.21 -0.69 0.00 0.00 0.00 175.10 174.78 3mo6 s VAL 67 N -0.63 2.18 0.19 2.92 1.01 -0.17 -1.17 120.40 124.74 3mo6 s VAL 67 Ca 0.10 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.22 3mo6 s VAL 67 Cb -0.12 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3mo6 s VAL 67 CO 0.02 0.54 -0.06 0.68 0.00 0.00 0.00 175.10 176.28 3mo6 s VAL 68 N 0.83 3.37 -0.92 2.92 -7.23 -0.65 -1.73 120.40 116.98 3mo6 s VAL 68 Ca -0.06 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 3mo6 s VAL 68 Cb -0.15 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.09 3mo6 s VAL 68 CO -0.02 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 3mo6 n GLY 69 N -0.13 0.72 3.83 2.32 0.00 -1.26 -1.61 105.19 109.05 3mo6 n GLY 69 Ca -0.10 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 3mo6 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mo6 s GLU 70 N -3.36 4.16 0.01 1.61 2.56 -1.26 -3.71 118.70 118.70 3mo6 s GLU 70 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 54.97 55.72 3mo6 s GLU 70 Cb 0.00 -2.85 0.00 0.00 2.00 0.00 0.00 34.13 33.28 3mo6 s GLU 70 CO 0.00 0.40 0.00 1.58 -0.56 0.00 0.00 175.26 176.68 3mo6 n HIS 71 N 0.65 -0.09 -3.96 5.30 -0.00 -1.26 -4.94 115.22 110.91 3mo6 n HIS 71 Ca -0.03 0.02 -0.34 0.00 -0.00 0.00 0.00 57.72 57.37 3mo6 n HIS 71 Cb 0.51 0.29 -0.14 0.00 -0.00 0.00 0.00 29.99 30.65 3mo6 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3mo6 s ASN 72 N -5.03 4.01 0.52 0.26 3.84 -1.26 -1.52 114.94 115.78 3mo6 s ASN 72 Ca 0.00 -0.49 0.33 0.00 0.21 0.00 0.00 52.86 52.91 3mo6 s ASN 72 Cb 0.00 -1.67 1.38 0.00 -0.55 0.00 0.00 41.25 40.41 3mo6 s ASN 72 CO 0.00 -0.02 1.97 -0.07 -2.79 0.00 0.00 177.10 176.19 3mo6 h LEU 73 N 8.06 0.00 0.00 3.21 3.38 -1.00 -3.19 115.31 125.78 3mo6 h LEU 73 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3mo6 h LEU 73 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3mo6 h LEU 73 CO 0.61 0.00 -1.45 -0.46 0.09 0.00 0.00 178.44 177.23 3mo6 n ASN 74 N -2.99 0.75 -4.49 -0.43 6.94 -1.26 -5.00 115.26 108.77 3mo6 n ASN 74 Ca 0.01 -0.38 -0.28 0.00 -0.02 0.00 0.00 54.58 53.90 3mo6 n ASN 74 Cb 0.29 1.51 -0.11 0.00 -2.36 0.00 0.00 39.78 39.10 3mo6 n ASN 74 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3mo6 s GLN 75 N -3.07 1.78 -0.02 -3.83 -1.52 -1.21 -5.10 119.66 106.69 3mo6 s GLN 75 Ca -0.01 -1.26 -0.30 0.00 -1.95 0.00 0.00 55.36 51.84 3mo6 s GLN 75 Cb 0.13 -2.07 -0.03 0.00 -0.22 0.00 0.00 33.01 30.82 3mo6 s GLN 75 CO 0.77 0.46 1.02 1.21 -0.25 0.00 0.00 175.29 178.50 3mo6 s ASN 76 N -2.37 7.29 -0.02 5.90 2.47 -1.26 -4.68 114.94 122.27 3mo6 s ASN 76 Ca 0.20 1.68 0.21 0.00 0.42 0.00 0.00 52.86 55.37 3mo6 s ASN 76 Cb -0.10 -2.57 -0.31 0.00 -1.45 0.00 0.00 41.25 36.82 3mo6 s ASN 76 CO 0.11 -0.34 0.54 0.59 -3.72 0.00 0.00 177.10 174.28 3mo6 n ASN 77 N 4.23 0.26 0.00 -4.21 4.13 -1.26 -4.98 115.26 113.42 3mo6 n ASN 77 Ca 0.07 -0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.16 3mo6 n ASN 77 Cb 0.50 1.81 0.00 0.00 -1.54 0.00 0.00 39.78 40.55 3mo6 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mo6 n GLY 78 N 1.32 0.52 0.00 7.41 0.00 -1.26 -4.88 105.19 108.30 3mo6 n GLY 78 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3mo6 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mo6 n THR 79 N -2.92 0.00 -2.71 2.61 -2.24 -1.26 -5.09 114.28 102.67 3mo6 n THR 79 Ca 0.00 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 3mo6 n THR 79 Cb 0.00 1.40 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 3mo6 n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3mo6 s GLU 80 N -0.13 4.81 -0.04 -0.78 8.01 -1.24 -4.46 118.70 124.86 3mo6 s GLU 80 Ca 0.00 1.53 0.06 0.00 0.01 0.00 0.00 54.97 56.57 3mo6 s GLU 80 Cb 0.00 -3.27 -0.02 0.00 -4.31 0.00 0.00 34.13 26.53 3mo6 s GLU 80 CO 0.00 0.45 -0.22 -0.65 0.01 0.00 0.00 175.26 174.85 3mo6 s GLN 81 N -1.12 2.37 -0.12 1.61 -0.21 -0.63 -4.99 119.66 116.58 3mo6 s GLN 81 Ca 0.42 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.96 3mo6 s GLN 81 Cb -0.27 -2.18 -0.01 0.00 1.00 0.00 0.00 33.01 31.55 3mo6 s GLN 81 CO 0.33 0.52 -0.16 0.71 -2.12 0.00 0.00 175.29 174.56 3mo6 s TYR 82 N -0.49 2.73 -0.05 0.91 1.51 -1.26 -1.64 117.35 119.06 3mo6 s TYR 82 Ca 0.06 -0.74 -0.02 0.00 -1.01 0.00 0.00 57.07 55.36 3mo6 s TYR 82 Cb -0.11 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 3mo6 s TYR 82 CO 0.01 -0.26 0.10 0.54 -1.11 0.00 0.00 175.55 174.83 3mo6 s VAL 83 N 0.30 -0.04 0.72 0.71 0.11 -0.31 -5.01 120.40 116.89 3mo6 s VAL 83 Ca -0.12 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.93 3mo6 s VAL 83 Cb -0.16 -0.17 0.03 0.00 -1.53 0.00 0.00 36.38 34.55 3mo6 s VAL 83 CO 0.06 0.05 1.12 -0.83 -3.33 0.00 0.00 175.10 172.18 3mo6 s GLY 84 N 0.80 1.98 -0.27 6.54 0.00 -1.26 -0.93 107.32 114.18 3mo6 s GLY 84 Ca -0.06 0.49 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 3mo6 s GLY 84 CO -0.03 0.85 0.31 0.14 0.00 0.00 0.00 173.10 174.37 3mo6 s VAL 85 N -2.51 5.22 -0.06 1.40 1.01 -1.21 -1.12 120.40 123.13 3mo6 s VAL 85 Ca 0.66 0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 3mo6 s VAL 85 Cb -0.20 -3.64 -0.29 0.00 0.00 0.00 0.00 36.38 32.24 3mo6 s VAL 85 CO 0.48 0.19 0.63 -0.61 0.00 0.00 0.00 175.10 175.79 3mo6 h GLN 86 N 8.20 0.35 -3.18 2.72 4.15 -1.34 -3.46 115.11 122.54 3mo6 h GLN 86 Ca -0.33 -0.60 -0.15 0.00 0.77 0.00 0.00 58.65 58.34 3mo6 h GLN 86 Cb 1.17 0.22 -0.23 0.00 0.21 0.00 0.00 27.48 28.85 3mo6 h GLN 86 CO 0.62 1.26 -0.40 0.21 -1.93 0.00 0.00 178.83 178.58 3mo6 s LYS 87 N -2.58 0.41 -0.17 1.69 2.20 -1.14 -5.00 119.74 115.15 3mo6 s LYS 87 Ca -0.16 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 3mo6 s LYS 87 Cb 0.06 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3mo6 s LYS 87 CO 0.84 -0.08 -0.16 0.42 -0.36 0.00 0.00 175.35 176.00 3mo6 s ILE 88 N -0.48 1.82 -0.36 5.43 1.01 -1.26 -1.16 121.20 126.19 3mo6 s ILE 88 Ca -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 3mo6 s ILE 88 Cb -0.04 -1.70 0.07 0.00 0.01 0.00 0.00 42.46 40.80 3mo6 s ILE 88 CO 0.01 0.44 0.12 -0.69 0.00 0.00 0.00 174.94 174.83 3mo6 s VAL 89 N 1.38 3.41 0.13 2.92 1.01 0.28 -4.99 120.40 124.54 3mo6 s VAL 89 Ca 0.04 -1.55 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 3mo6 s VAL 89 Cb -0.14 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 3mo6 s VAL 89 CO -0.11 -0.36 0.46 -0.69 0.00 0.00 0.00 175.10 174.40 3mo6 s VAL 90 N 1.27 5.01 0.14 2.92 1.01 -1.26 -0.49 120.40 129.01 3mo6 s VAL 90 Ca 0.01 0.50 -0.34 0.00 0.00 0.00 0.00 61.98 62.15 3mo6 s VAL 90 Cb -0.21 -3.66 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 3mo6 s VAL 90 CO -0.01 0.18 1.55 1.57 0.00 0.00 0.00 175.10 178.39 3mo6 n HIS 91 N 0.58 2.17 0.27 5.22 -0.00 -0.91 -4.83 115.22 117.72 3mo6 n HIS 91 Ca -0.05 0.31 0.12 0.00 0.46 0.00 0.00 57.72 58.56 3mo6 n HIS 91 Cb 0.52 -2.52 0.58 0.00 -0.12 0.00 0.00 29.99 28.45 3mo6 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3mo6 h PRO 92 N 5.81 0.00 -0.13 1.57 0.13 -1.92 -1.83 132.00 135.63 3mo6 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3mo6 h PRO 92 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3mo6 h PRO 92 CO 0.87 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.30 3mo6 n TYR 93 N -2.31 0.15 -1.85 1.56 4.01 -1.26 -4.95 117.16 112.50 3mo6 n TYR 93 Ca 0.00 -0.07 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 3mo6 n TYR 93 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 3mo6 n TYR 93 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3mo6 s TRP 94 N -1.85 2.89 -0.10 -0.72 -0.11 -0.69 -4.86 118.94 113.49 3mo6 s TRP 94 Ca 0.33 0.75 -0.01 0.00 1.22 0.00 0.00 56.10 58.39 3mo6 s TRP 94 Cb 0.21 -4.00 0.03 0.00 -1.50 0.00 0.00 33.47 28.21 3mo6 s TRP 94 CO 0.31 -3.44 -0.01 1.21 -4.62 0.00 0.00 176.95 170.39 3mo6 s ASN 95 N 0.66 1.98 0.38 5.86 2.47 -1.26 -5.01 114.94 120.02 3mo6 s ASN 95 Ca 0.65 -0.27 0.14 0.00 0.42 0.00 0.00 52.86 53.80 3mo6 s ASN 95 Cb -0.46 -0.58 0.98 0.00 -1.45 0.00 0.00 41.25 39.75 3mo6 s ASN 95 CO 0.42 -0.19 1.83 0.00 -3.72 0.00 0.00 177.10 175.44 3mo6 h THR 96 N 6.33 0.68 0.00 -5.21 1.03 -1.98 -1.60 112.91 112.16 3mo6 h THR 96 Ca -0.22 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 66.01 3mo6 h THR 96 Cb 1.12 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 3mo6 h THR 96 CO 0.31 0.09 0.00 0.47 -0.01 0.00 0.00 175.52 176.38 3mo6 n ASP 97 N -4.58 0.00 -2.73 0.00 8.00 -1.26 -4.33 116.55 111.65 3mo6 n ASP 97 Ca 0.21 -0.64 -0.09 0.00 0.71 0.00 0.00 54.79 54.97 3mo6 n ASP 97 Cb 0.67 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.85 3mo6 n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3mo6 n ASP 98 N -0.80 -2.39 -1.66 -2.24 -0.08 -0.60 -5.06 116.55 103.71 3mo6 n ASP 98 Ca 0.07 -3.59 0.00 0.00 -1.51 0.00 0.00 54.79 49.76 3mo6 n ASP 98 Cb 0.03 1.89 0.00 0.00 2.34 0.00 0.00 41.12 45.39 3mo6 n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 3mo6 n VAL 99 N 0.55 0.00 0.00 5.18 3.14 -1.26 -3.91 118.33 122.04 3mo6 n VAL 99 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3mo6 n VAL 99 Cb 0.69 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 3mo6 n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mo6 n ALA 99 N 1.62 0.00 0.00 1.55 0.00 -1.26 -4.79 120.51 117.62 3mo6 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mo6 n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3mo6 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mo6 n GLY 100 N 0.00 -1.20 2.42 0.00 0.00 -1.25 -4.98 105.19 100.17 3mo6 n GLY 100 Ca 0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 3mo6 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mo6 n TYR 101 N 0.00 -0.47 -2.54 1.61 4.01 -1.26 -4.64 117.16 113.87 3mo6 n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3mo6 n TYR 101 Cb 0.00 -3.31 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 3mo6 n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3mo6 n ASP 102 N -1.16 4.88 -3.64 7.72 4.64 -1.26 -4.33 116.55 123.41 3mo6 n ASP 102 Ca -0.20 -2.95 -0.14 0.00 -1.38 0.00 0.00 54.79 50.12 3mo6 n ASP 102 Cb 0.63 -1.65 -0.07 0.00 -1.04 0.00 0.00 41.12 38.98 3mo6 n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3mo6 s ILE 103 N 2.77 0.00 -0.02 5.18 2.07 -1.26 -3.90 121.20 126.04 3mo6 s ILE 103 Ca 0.48 -0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.57 3mo6 s ILE 103 Cb 0.04 -0.92 0.02 0.00 0.13 0.00 0.00 42.46 41.74 3mo6 s ILE 103 CO 0.02 -0.01 0.29 0.00 -1.91 0.00 0.00 174.94 173.33 3mo6 s ALA 104 N 0.11 -0.73 -0.03 1.50 0.00 -0.43 -2.14 121.76 120.05 3mo6 s ALA 104 Ca -0.02 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.31 3mo6 s ALA 104 Cb -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3mo6 s ALA 104 CO 0.02 -0.25 -0.19 -0.51 0.00 0.00 0.00 175.76 174.83 3mo6 s LEU 105 N -1.23 2.46 -0.14 0.00 1.43 0.36 -1.53 118.68 120.04 3mo6 s LEU 105 Ca -0.13 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3mo6 s LEU 105 Cb -0.05 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3mo6 s LEU 105 CO 0.04 0.32 -0.20 -0.76 0.23 0.00 0.00 176.35 175.98 3mo6 s LEU 106 N -0.78 2.25 -0.08 1.79 1.43 0.73 -0.55 118.68 123.46 3mo6 s LEU 106 Ca 0.11 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.46 3mo6 s LEU 106 Cb -0.10 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3mo6 s LEU 106 CO 0.01 0.09 0.59 -0.60 0.23 0.00 0.00 176.35 176.66 3mo6 s ARG 107 N 0.78 4.37 0.22 1.70 3.52 -0.31 -0.93 118.95 128.31 3mo6 s ARG 107 Ca -0.07 0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 56.15 3mo6 s ARG 107 Cb -0.16 -3.42 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 3mo6 s ARG 107 CO -0.01 0.16 0.47 -0.51 -0.81 0.00 0.00 175.30 174.61 3mo6 s LEU 108 N 0.53 4.16 0.41 -0.88 1.43 0.18 -1.01 118.68 123.51 3mo6 s LEU 108 Ca 0.31 0.65 0.17 0.00 -1.03 0.00 0.00 54.13 54.23 3mo6 s LEU 108 Cb -0.17 -3.42 0.91 0.00 0.03 0.00 0.00 46.19 43.54 3mo6 s LEU 108 CO 0.15 -0.08 1.89 0.00 0.23 0.00 0.00 176.35 178.53 3mo6 h ALA 109 N 2.17 1.33 -2.82 4.21 0.00 -1.45 -3.43 119.26 119.27 3mo6 h ALA 109 Ca -0.47 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 3mo6 h ALA 109 Cb 1.18 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 3mo6 h ALA 109 CO 0.69 0.37 -0.69 -0.65 0.00 0.00 0.00 179.25 178.96 3mo6 s GLN 110 N -4.15 0.38 0.16 0.00 1.11 -1.26 -5.04 119.66 110.85 3mo6 s GLN 110 Ca -0.02 -0.74 -0.27 0.00 0.01 0.00 0.00 55.36 54.33 3mo6 s GLN 110 Cb 0.14 0.13 -0.07 0.00 -1.01 0.00 0.00 33.01 32.19 3mo6 s GLN 110 CO 0.68 -0.06 0.85 -1.12 0.01 0.00 0.00 175.29 175.65 3mo6 s SER 111 N -1.77 7.45 0.48 5.90 0.01 -1.26 -4.73 113.70 119.77 3mo6 s SER 111 Ca -0.11 1.72 -0.06 0.00 1.31 0.00 0.00 55.95 58.80 3mo6 s SER 111 Cb -0.06 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3mo6 s SER 111 CO -0.03 0.12 0.80 0.68 0.41 0.00 0.00 173.24 175.22 3mo6 s VAL 112 N -0.79 4.88 -0.16 3.43 -7.23 -0.43 -4.99 120.40 115.11 3mo6 s VAL 112 Ca 0.39 0.30 -0.12 0.00 -1.81 0.00 0.00 61.98 60.74 3mo6 s VAL 112 Cb -0.23 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 32.81 3mo6 s VAL 112 CO 0.28 -0.83 0.23 -0.89 -0.31 0.00 0.00 175.10 173.58 3mo6 s THR 113 N -2.73 5.35 0.26 5.32 2.01 -1.26 -4.88 115.64 119.70 3mo6 s THR 113 Ca 0.48 0.41 -0.25 0.00 0.31 0.00 0.00 61.69 62.65 3mo6 s THR 113 Cb -0.10 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 3mo6 s THR 113 CO 0.44 0.44 0.85 -0.76 -0.69 0.00 0.00 174.62 174.90 3mo6 s LEU 114 N 0.20 4.42 0.00 4.42 1.43 -1.26 -4.82 118.68 123.08 3mo6 s LEU 114 Ca 0.14 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3mo6 s LEU 114 Cb -0.12 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.38 3mo6 s LEU 114 CO 0.02 0.04 0.00 -0.46 0.23 0.00 0.00 176.35 176.18 3mo6 n ASN 115 N 0.91 0.00 0.07 2.29 0.23 -0.44 -4.96 115.26 113.36 3mo6 n ASN 115 Ca -0.01 -0.76 0.10 0.00 -0.53 0.00 0.00 54.58 53.38 3mo6 n ASN 115 Cb 0.50 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.61 3mo6 n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3mo6 n SER 116 N -0.67 0.36 -0.00 0.53 3.41 -1.26 -2.48 113.62 113.51 3mo6 n SER 116 Ca 0.00 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.30 3mo6 n SER 116 Cb 0.00 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 63.16 3mo6 n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mo6 n TYR 117 N -1.89 0.00 -3.63 7.33 4.01 -1.26 -4.77 117.16 116.95 3mo6 n TYR 117 Ca 0.03 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.50 3mo6 n TYR 117 Cb 0.21 -0.06 -0.16 0.00 -0.31 0.00 0.00 39.34 39.02 3mo6 n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mo6 s VAL 118 N -3.04 0.09 0.03 -0.72 1.01 -1.04 -3.98 120.40 112.75 3mo6 s VAL 118 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3mo6 s VAL 118 Cb 0.16 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3mo6 s VAL 118 CO 0.87 -0.38 0.04 -1.10 0.00 0.00 0.00 175.10 174.52 3mo6 s GLN 119 N 2.05 0.52 0.34 2.72 -1.52 -0.85 -1.32 119.66 121.59 3mo6 s GLN 119 Ca 0.03 -0.81 -0.27 0.00 -1.95 0.00 0.00 55.36 52.36 3mo6 s GLN 119 Cb -0.16 0.19 -0.09 0.00 -0.22 0.00 0.00 33.01 32.73 3mo6 s GLN 119 CO -0.15 -0.11 1.08 -0.51 -0.25 0.00 0.00 175.29 175.34 3mo6 s LEU 120 N -2.11 4.35 0.38 2.90 1.43 -1.26 -3.44 118.68 120.93 3mo6 s LEU 120 Ca -0.05 2.16 -0.25 0.00 -1.03 0.00 0.00 54.13 54.96 3mo6 s LEU 120 Cb -0.02 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 3mo6 s LEU 120 CO -0.05 -0.32 1.09 -0.83 0.23 0.00 0.00 176.35 176.48 3mo6 s GLY 121 N -1.20 2.84 -0.22 -3.19 0.00 0.77 -4.81 107.32 101.51 3mo6 s GLY 121 Ca 0.51 0.81 -0.17 0.00 0.00 0.00 0.00 44.72 45.87 3mo6 s GLY 121 CO 0.35 1.30 0.45 0.14 0.00 0.00 0.00 173.10 175.34 3mo6 s VAL 122 N -1.49 5.15 0.17 1.40 1.01 -1.26 -4.80 120.40 120.57 3mo6 s VAL 122 Ca 0.55 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.33 3mo6 s VAL 122 Cb -0.26 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3mo6 s VAL 122 CO 0.33 0.19 0.34 -0.76 0.00 0.00 0.00 175.10 175.21 3mo6 s LEU 123 N 1.63 4.27 0.78 3.92 1.43 -1.26 -0.42 118.68 129.04 3mo6 s LEU 123 Ca 0.21 0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 3mo6 s LEU 123 Cb -0.15 -3.08 0.06 0.00 0.03 0.00 0.00 46.19 43.04 3mo6 s LEU 123 CO 0.09 0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 3mo6 s PRO 124 N -3.19 2.24 0.46 1.29 0.05 -1.26 -4.89 135.00 129.70 3mo6 s PRO 124 Ca 0.37 0.68 -0.24 0.00 0.05 0.00 0.00 61.00 61.87 3mo6 s PRO 124 Cb -0.11 -1.93 -0.07 0.00 0.05 0.00 0.00 34.50 32.43 3mo6 s PRO 124 CO 0.29 -1.53 1.29 1.03 0.05 0.00 0.00 177.00 178.13 3mo6 s ARG 125 N -5.14 3.65 0.26 4.56 0.52 -1.26 -4.83 118.95 116.72 3mo6 s ARG 125 Ca 0.60 2.10 -0.30 0.00 -0.52 0.00 0.00 55.73 57.61 3mo6 s ARG 125 Cb -0.14 -2.51 -0.13 0.00 0.52 0.00 0.00 34.95 32.68 3mo6 s ARG 125 CO 0.54 -0.73 1.32 0.00 0.02 0.00 0.00 175.30 176.44 3mo6 n ALA 126 N -0.39 0.86 0.00 2.13 0.00 -1.26 -2.18 120.51 119.67 3mo6 n ALA 126 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3mo6 n ALA 126 Cb 0.45 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3mo6 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mo6 n GLY 127 N 1.70 2.02 3.72 0.00 0.00 -0.65 -5.01 105.19 106.97 3mo6 n GLY 127 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3mo6 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mo6 s THR 128 N -2.36 2.49 -0.10 2.61 2.01 -0.93 -5.00 115.64 114.36 3mo6 s THR 128 Ca 0.00 0.36 0.03 0.00 0.31 0.00 0.00 61.69 62.39 3mo6 s THR 128 Cb 0.00 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.29 3mo6 s THR 128 CO 0.00 0.03 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.14 3mo6 s ILE 129 N 0.89 1.75 0.21 1.82 -1.09 -1.26 -4.77 121.20 118.74 3mo6 s ILE 129 Ca 0.69 -0.82 -0.20 0.00 -2.23 0.00 0.00 60.65 58.09 3mo6 s ILE 129 Cb -0.45 -1.55 -0.08 0.00 -1.58 0.00 0.00 42.46 38.81 3mo6 s ILE 129 CO 0.34 0.49 0.71 -0.76 -1.23 0.00 0.00 174.94 174.50 3mo6 s LEU 130 N 0.66 4.36 0.74 2.97 1.43 -1.26 -5.04 118.68 122.54 3mo6 s LEU 130 Ca -0.13 1.40 -0.14 0.00 -1.03 0.00 0.00 54.13 54.24 3mo6 s LEU 130 Cb -0.16 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.57 3mo6 s LEU 130 CO 0.03 0.05 1.15 0.00 0.23 0.00 0.00 176.35 177.82 3mo6 s ALA 131 N -1.49 2.15 0.42 4.21 0.00 -1.26 -4.88 121.76 120.90 3mo6 s ALA 131 Ca 0.42 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.77 3mo6 s ALA 131 Cb -0.17 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 3mo6 s ALA 131 CO 0.21 -1.81 1.28 -1.71 0.00 0.00 0.00 175.76 173.73 3mo6 n ASN 132 N -2.97 2.60 -1.19 0.00 5.15 -1.26 -2.43 115.26 115.16 3mo6 n ASN 132 Ca 0.12 1.12 -0.12 0.00 -0.60 0.00 0.00 54.58 55.10 3mo6 n ASN 132 Cb 0.51 -1.50 -0.02 0.00 -0.53 0.00 0.00 39.78 38.24 3mo6 n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3mo6 n ASN 133 N 0.23 -3.95 -4.77 1.20 5.15 0.65 -4.95 115.26 108.81 3mo6 n ASN 133 Ca 0.06 0.09 -0.38 0.00 -0.60 0.00 0.00 54.58 53.75 3mo6 n ASN 133 Cb 0.39 -2.95 -0.05 0.00 -0.53 0.00 0.00 39.78 36.65 3mo6 n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3mo6 s SER 134 N -2.60 7.10 -0.08 1.20 0.01 -1.02 -4.62 113.70 113.68 3mo6 s SER 134 Ca 0.00 2.05 -0.30 0.00 1.31 0.00 0.00 55.95 59.01 3mo6 s SER 134 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 3mo6 s SER 134 CO 0.00 -0.25 1.14 -2.16 0.41 0.00 0.00 173.24 172.38 3mo6 s PRO 135 N -2.00 4.37 0.03 12.44 0.04 -1.26 -1.46 135.00 147.16 3mo6 s PRO 135 Ca 0.51 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 63.06 3mo6 s PRO 135 Cb -0.24 -3.56 -0.00 0.00 0.04 0.00 0.00 34.50 30.73 3mo6 s PRO 135 CO 0.31 -0.42 0.14 0.00 0.04 0.00 0.00 177.00 177.07 3mo6 s TYR 137 N -2.37 2.35 -0.04 0.00 2.02 -0.16 -0.63 117.35 118.52 3mo6 s TYR 137 Ca -0.07 -0.61 -0.07 0.00 -0.37 0.00 0.00 57.07 55.95 3mo6 s TYR 137 Cb -0.02 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 3mo6 s TYR 137 CO -0.03 -0.15 0.24 -1.50 -1.57 0.00 0.00 175.55 172.53 3mo6 s ILE 138 N -0.31 5.34 0.03 2.71 2.07 -0.38 -0.39 121.20 130.27 3mo6 s ILE 138 Ca 0.01 0.24 0.04 0.00 -1.41 0.00 0.00 60.65 59.53 3mo6 s ILE 138 Cb -0.12 -3.53 -0.02 0.00 0.13 0.00 0.00 42.46 38.92 3mo6 s ILE 138 CO 0.02 0.47 -0.12 0.42 -1.91 0.00 0.00 174.94 173.82 3mo6 s THR 139 N -1.19 0.94 -3.00 4.00 -4.23 -1.20 -1.07 115.64 109.89 3mo6 s THR 139 Ca 0.23 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3mo6 s THR 139 Cb -0.13 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.86 3mo6 s THR 139 CO 0.12 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3mo6 n GLY 140 N 2.11 -1.96 1.30 3.99 0.00 -0.63 -4.48 105.19 105.51 3mo6 n GLY 140 Ca -0.17 -1.16 0.01 0.00 0.00 0.00 0.00 46.02 44.70 3mo6 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mo6 n TRP 141 N 1.08 1.45 -1.13 1.61 8.01 -1.26 -1.63 117.44 125.57 3mo6 n TRP 141 Ca 0.00 -1.14 -0.17 0.00 -1.31 0.00 0.00 57.50 54.88 3mo6 n TRP 141 Cb 0.00 -0.47 0.13 0.00 -2.01 0.00 0.00 31.31 28.96 3mo6 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3mo6 n GLY 142 N -0.53 -2.05 3.74 6.99 0.00 -1.25 -2.24 105.19 109.85 3mo6 n GLY 142 Ca 0.30 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 3mo6 n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mo6 n LEU 143 N 0.00 5.12 -0.13 0.99 4.77 -0.23 -2.72 117.00 124.81 3mo6 n LEU 143 Ca 0.09 1.04 0.12 0.00 -0.03 0.00 0.00 56.01 57.24 3mo6 n LEU 143 Cb 0.33 -1.57 0.31 0.00 -2.33 0.00 0.00 43.42 40.16 3mo6 n LEU 143 CO 0.23 -0.47 0.55 0.35 -1.33 0.00 0.00 177.39 176.72 3mo6 n THR 144 N -0.64 0.00 -3.69 -5.08 -2.24 -0.91 -1.58 114.28 100.14 3mo6 n THR 144 Ca 0.08 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 3mo6 n THR 144 Cb 0.43 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 3mo6 n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mo6 s ARG 145 N -2.74 0.79 0.10 -0.78 0.52 -1.26 -4.25 118.95 111.32 3mo6 s ARG 145 Ca 0.18 -0.07 -0.36 0.00 -0.52 0.00 0.00 55.73 54.96 3mo6 s ARG 145 Cb 0.18 0.36 -0.16 0.00 0.52 0.00 0.00 34.95 35.85 3mo6 s ARG 145 CO 0.61 -0.23 1.44 2.41 0.02 0.00 0.00 175.30 179.55 3mo6 n THR 147 N 1.15 0.01 -2.21 0.02 -1.04 -1.26 -0.70 114.28 110.25 3mo6 n THR 147 Ca -0.21 -0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.62 3mo6 n THR 147 Cb 0.56 -1.09 -0.02 0.00 -1.82 0.00 0.00 70.33 67.96 3mo6 n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3mo6 n ASN 148 N 2.93 -5.05 -0.69 8.00 3.02 -1.26 -4.98 115.26 117.24 3mo6 n ASN 148 Ca 0.18 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 3mo6 n ASN 148 Cb 0.22 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 3mo6 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mo6 n GLY 149 N -0.80 1.62 3.36 7.41 0.00 0.12 -5.13 105.19 111.77 3mo6 n GLY 149 Ca -0.20 -1.75 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 3mo6 n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mo6 s GLN 150 N 2.99 1.35 0.68 1.61 -2.07 -1.26 -4.93 119.66 118.03 3mo6 s GLN 150 Ca 0.00 -1.44 -0.17 0.00 -1.82 0.00 0.00 55.36 51.93 3mo6 s GLN 150 Cb 0.00 -1.51 0.01 0.00 -1.09 0.00 0.00 33.01 30.42 3mo6 s GLN 150 CO 0.00 0.31 1.27 -0.51 -1.32 0.00 0.00 175.29 175.05 3mo6 s LEU 151 N -2.65 3.48 0.66 2.60 1.43 -1.26 -2.14 118.68 120.79 3mo6 s LEU 151 Ca 0.17 2.57 -0.15 0.00 -1.03 0.00 0.00 54.13 55.69 3mo6 s LEU 151 Cb -0.07 -4.61 -0.00 0.00 0.03 0.00 0.00 46.19 41.54 3mo6 s LEU 151 CO 0.08 -2.15 1.12 0.00 0.23 0.00 0.00 176.35 175.63 3mo6 s ALA 152 N -1.56 2.46 -0.11 4.21 0.00 -0.95 -4.84 121.76 120.97 3mo6 s ALA 152 Ca 0.81 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.34 3mo6 s ALA 152 Cb -0.36 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.18 3mo6 s ALA 152 CO 0.42 -1.28 0.39 1.04 0.00 0.00 0.00 175.76 176.32 3mo6 n GLN 153 N -2.35 0.73 -4.11 0.00 6.02 -1.26 -4.82 117.38 111.60 3mo6 n GLN 153 Ca 0.11 0.26 -0.31 0.00 -0.01 0.00 0.00 57.00 57.05 3mo6 n GLN 153 Cb 0.52 -1.71 -0.07 0.00 1.02 0.00 0.00 30.24 29.99 3mo6 n GLN 153 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3mo6 s THR 154 N -2.56 4.37 0.25 5.09 -4.23 -1.26 -0.33 115.64 116.97 3mo6 s THR 154 Ca -0.20 -0.76 -0.31 0.00 -1.18 0.00 0.00 61.69 59.25 3mo6 s THR 154 Cb 0.07 -3.07 -0.13 0.00 1.34 0.00 0.00 72.50 70.71 3mo6 s THR 154 CO 0.77 0.18 1.43 -0.11 -0.54 0.00 0.00 174.62 176.36 3mo6 n LEU 155 N 0.70 3.33 -4.55 4.79 7.94 -0.57 -4.84 117.00 123.78 3mo6 n LEU 155 Ca -0.10 1.15 -0.26 0.00 -1.11 0.00 0.00 56.01 55.68 3mo6 n LEU 155 Cb 0.52 -1.46 -0.09 0.00 0.53 0.00 0.00 43.42 42.92 3mo6 n LEU 155 CO 0.41 -0.39 -0.42 -1.10 -1.11 0.00 0.00 177.39 174.78 3mo6 s GLN 156 N -0.51 2.00 0.05 1.96 -1.52 -0.64 -1.44 119.66 119.56 3mo6 s GLN 156 Ca 0.67 -1.35 0.04 0.00 -1.95 0.00 0.00 55.36 52.76 3mo6 s GLN 156 Cb -0.62 -2.09 -0.02 0.00 -0.22 0.00 0.00 33.01 30.05 3mo6 s GLN 156 CO 0.50 0.41 -0.12 1.14 -0.25 0.00 0.00 175.29 176.98 3mo6 s GLN 157 N -2.96 0.73 0.00 2.91 -2.07 0.22 -1.60 119.66 116.89 3mo6 s GLN 157 Ca 0.26 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 53.00 3mo6 s GLN 157 Cb -0.08 -0.66 -0.00 0.00 -1.09 0.00 0.00 33.01 31.17 3mo6 s GLN 157 CO 0.15 0.15 -0.02 0.00 -1.32 0.00 0.00 175.29 174.25 3mo6 s ALA 158 N -1.13 0.13 -0.29 2.60 0.00 -0.23 -0.80 121.76 122.03 3mo6 s ALA 158 Ca -0.03 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 3mo6 s ALA 158 Cb -0.09 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3mo6 s ALA 158 CO 0.01 -0.00 0.96 -0.47 0.00 0.00 0.00 175.76 176.26 3mo6 s TYR 159 N -0.29 3.22 -0.24 0.00 5.04 -1.26 -1.24 117.35 122.57 3mo6 s TYR 159 Ca -0.02 1.13 -0.02 0.00 -2.44 0.00 0.00 57.07 55.72 3mo6 s TYR 159 Cb -0.02 -3.41 0.08 0.00 0.35 0.00 0.00 41.96 38.95 3mo6 s TYR 159 CO -0.00 -0.62 0.05 -0.51 -1.34 0.00 0.00 175.55 173.13 3mo6 s LEU 160 N 3.29 1.72 0.37 6.97 1.43 0.20 -4.97 118.68 127.70 3mo6 s LEU 160 Ca 0.40 -1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 3mo6 s LEU 160 Cb -0.14 -0.76 -0.09 0.00 0.03 0.00 0.00 46.19 45.23 3mo6 s LEU 160 CO 0.12 -0.34 1.30 -2.84 0.23 0.00 0.00 176.35 174.82 3mo6 s PRO 161 N 1.72 4.14 0.58 1.29 0.02 -1.26 -3.76 135.00 137.72 3mo6 s PRO 161 Ca 0.02 2.16 -0.18 0.00 0.02 0.00 0.00 61.00 63.02 3mo6 s PRO 161 Cb -0.17 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 3mo6 s PRO 161 CO -0.15 -0.35 1.15 0.95 -0.33 0.00 0.00 177.00 178.27 3mo6 s THR 162 N -1.22 2.98 -0.23 0.99 -4.23 -0.53 -0.73 115.64 112.66 3mo6 s THR 162 Ca 0.54 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.64 3mo6 s THR 162 Cb -0.38 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.30 3mo6 s THR 162 CO 0.50 -0.16 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.60 3mo6 s VAL 163 N -1.80 2.28 0.81 2.29 1.01 -0.28 -0.25 120.40 124.45 3mo6 s VAL 163 Ca 0.73 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 3mo6 s VAL 163 Cb -0.26 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.02 3mo6 s VAL 163 CO 0.31 0.20 1.10 1.51 0.00 0.00 0.00 175.10 178.23 3mo6 s ASP 164 N 1.21 4.12 0.29 3.32 1.47 -1.26 -4.10 116.67 121.72 3mo6 s ASP 164 Ca -0.03 1.91 0.03 0.00 1.18 0.00 0.00 52.55 55.64 3mo6 s ASP 164 Cb -0.17 -2.53 0.61 0.00 -0.34 0.00 0.00 42.92 40.50 3mo6 s ASP 164 CO -0.07 -2.30 1.83 0.22 0.68 0.00 0.00 175.17 175.53 3mo6 h TYR 165 N -1.31 1.10 -0.83 2.11 3.20 -1.94 0.14 116.97 119.44 3mo6 h TYR 165 Ca -0.43 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.49 3mo6 h TYR 165 Cb 1.24 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 3mo6 h TYR 165 CO 0.56 0.40 0.55 0.00 -1.64 0.00 0.00 178.16 178.03 3mo6 h ALA 166 N 1.57 1.45 0.05 1.82 0.00 -1.97 -0.81 119.26 121.37 3mo6 h ALA 166 Ca 0.51 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.29 3mo6 h ALA 166 Cb 0.59 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3mo6 h ALA 166 CO -0.28 0.48 -0.36 0.82 0.00 0.00 0.00 179.25 179.91 3mo6 h ILE 167 N 1.07 1.66 0.00 0.00 2.04 -1.54 -3.35 117.51 117.39 3mo6 h ILE 167 Ca 0.32 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3mo6 h ILE 167 Cb -0.03 3.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3mo6 h ILE 167 CO -0.09 0.64 0.00 0.00 0.00 0.00 0.00 178.15 178.71 3mo6 n SER 169 N -2.75 7.88 0.00 0.00 3.41 -0.32 -0.91 113.62 120.93 3mo6 n SER 169 Ca 0.02 -3.24 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 3mo6 n SER 169 Cb 0.35 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 3mo6 n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mo6 n SER 170 N 1.38 0.00 0.00 4.04 3.41 -1.26 -3.30 113.62 117.89 3mo6 n SER 170 Ca 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3mo6 n SER 170 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3mo6 n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mo6 n TYR 171 N 0.00 0.00 0.83 7.33 4.02 -1.26 -4.83 117.16 123.25 3mo6 n TYR 171 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 3mo6 n TYR 171 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.23 3mo6 n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3mo6 n TRP 172 N 0.00 0.00 -4.20 -0.72 7.02 -0.09 -4.87 117.44 114.58 3mo6 n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3mo6 n TRP 172 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3mo6 n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3mo6 n GLY 173 N 1.41 2.64 1.10 6.99 0.00 -1.21 -1.72 105.19 114.40 3mo6 n GLY 173 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 3mo6 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mo6 n SER 174 N 0.32 2.77 -0.05 1.61 3.41 -1.26 -3.07 113.62 117.35 3mo6 n SER 174 Ca 0.00 -2.37 -0.13 0.00 -0.26 0.00 0.00 58.87 56.11 3mo6 n SER 174 Cb 0.00 -0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 63.30 3mo6 n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3mo6 h THR 175 N 0.89 1.36 -3.98 6.66 2.02 -1.70 -3.46 112.91 114.71 3mo6 h THR 175 Ca 0.07 -1.38 -0.48 0.00 0.77 0.00 0.00 66.41 65.40 3mo6 h THR 175 Cb 1.20 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3mo6 h THR 175 CO 0.23 0.40 0.26 0.54 0.37 0.00 0.00 175.52 177.32 3mo6 s VAL 176 N -4.19 4.61 0.17 3.16 0.11 -1.17 -4.76 120.40 118.32 3mo6 s VAL 176 Ca -0.14 1.04 0.05 0.00 -2.93 0.00 0.00 61.98 60.00 3mo6 s VAL 176 Cb 0.05 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 3mo6 s VAL 176 CO 0.76 -0.53 -0.09 -0.54 -3.33 0.00 0.00 175.10 171.37 3mo6 s LYS 177 N -3.77 1.16 0.33 1.54 -0.14 -1.26 -4.98 119.74 112.62 3mo6 s LYS 177 Ca 0.56 -1.52 0.24 0.00 -1.36 0.00 0.00 55.97 53.90 3mo6 s LYS 177 Cb -0.10 -0.69 1.17 0.00 -1.68 0.00 0.00 37.83 36.52 3mo6 s LYS 177 CO 0.27 0.05 1.74 -0.97 -0.76 0.00 0.00 175.35 175.69 3mo6 h ASN 178 N 2.68 0.00 -0.02 2.83 -1.24 -1.99 -1.88 115.58 115.96 3mo6 h ASN 178 Ca -0.37 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.64 3mo6 h ASN 178 Cb 1.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.25 3mo6 h ASN 178 CO 0.64 0.00 0.00 -1.54 -1.29 0.00 0.00 177.43 175.24 3mo6 n SER 179 N -2.35 0.11 -4.42 1.15 3.41 -1.26 -4.84 113.62 105.43 3mo6 n SER 179 Ca 0.00 -1.93 -0.22 0.00 -0.26 0.00 0.00 58.87 56.46 3mo6 n SER 179 Cb 0.14 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 3mo6 n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3mo6 s MET 180 N -1.97 1.54 -0.01 4.33 -1.94 -0.71 -0.96 119.30 119.59 3mo6 s MET 180 Ca 0.05 -1.68 0.07 0.00 -1.71 0.00 0.00 55.69 52.42 3mo6 s MET 180 Cb 0.02 -1.55 -0.02 0.00 2.01 0.00 0.00 34.83 35.29 3mo6 s MET 180 CO 0.04 0.29 -0.23 0.08 -0.01 0.00 0.00 175.02 175.18 3mo6 s VAL 181 N -2.58 1.81 0.02 -6.03 1.01 0.20 -4.69 120.40 110.14 3mo6 s VAL 181 Ca 0.26 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3mo6 s VAL 181 Cb -0.04 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3mo6 s VAL 181 CO 0.12 0.47 -0.11 0.00 0.00 0.00 0.00 175.10 175.58 3mo6 s ALA 183 N -0.98 -0.86 0.00 0.00 0.00 -0.68 -1.13 121.76 118.11 3mo6 s ALA 183 Ca 0.16 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.64 3mo6 s ALA 183 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3mo6 s ALA 183 CO 0.07 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.99 3mo6 n GLY 184 N 1.57 0.74 1.36 0.00 0.00 0.09 -1.71 105.19 107.23 3mo6 n GLY 184 Ca -0.20 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3mo6 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mo6 n GLY 185 N 0.00 0.63 0.01 -0.02 0.00 -1.26 -4.68 105.19 99.87 3mo6 n GLY 185 Ca 0.00 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3mo6 n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mo6 n ASP 186 N 0.56 0.08 0.00 1.61 3.85 -1.26 -1.69 116.55 119.70 3mo6 n ASP 186 Ca 0.00 0.04 0.00 0.00 -0.71 0.00 0.00 54.79 54.12 3mo6 n ASP 186 Cb 0.00 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.46 3mo6 n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mo6 n GLY 187 N 1.37 0.77 0.12 6.12 0.00 -1.26 -4.78 105.19 107.53 3mo6 n GLY 187 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 3mo6 n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mo6 n VAL 188 N -2.45 0.00 -5.25 1.61 0.31 -1.26 -4.69 118.33 106.60 3mo6 n VAL 188 Ca 0.00 -0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.01 3mo6 n VAL 188 Cb 0.00 -0.62 -0.16 0.00 -0.91 0.00 0.00 33.84 32.14 3mo6 n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3mo6 s ARG 188 N -2.00 2.52 -0.24 5.55 0.52 -1.26 -3.86 118.95 120.18 3mo6 s ARG 188 Ca -0.00 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.00 3mo6 s ARG 188 Cb 0.00 -2.17 0.17 0.00 0.52 0.00 0.00 34.95 33.47 3mo6 s ARG 188 CO 0.00 0.40 1.25 0.45 0.02 0.00 0.00 175.30 177.42 3mo6 s SER 189 N -0.21 -0.13 1.22 0.23 0.15 -0.86 -4.30 113.70 109.79 3mo6 s SER 189 Ca -0.02 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.60 3mo6 s SER 189 Cb -0.13 0.11 0.29 0.00 -1.71 0.00 0.00 66.02 64.58 3mo6 s SER 189 CO 0.03 -0.14 0.87 0.61 1.20 0.00 0.00 173.24 175.82 3mo6 n GLY 190 N 0.45 -2.34 0.00 9.45 0.00 -1.26 -0.50 105.19 110.99 3mo6 n GLY 190 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3mo6 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mo6 s GLN 192 N 0.94 4.34 0.00 0.00 1.11 -1.26 -3.06 119.66 121.73 3mo6 s GLN 192 Ca 0.00 1.49 0.00 0.00 0.01 0.00 0.00 55.36 56.86 3mo6 s GLN 192 Cb 0.00 -3.60 0.00 0.00 -1.01 0.00 0.00 33.01 28.40 3mo6 s GLN 192 CO 0.00 -0.48 0.00 0.41 0.01 0.00 0.00 175.29 175.23 3mo6 n GLY 193 N 3.29 0.47 0.04 3.09 0.00 -1.26 -1.06 105.19 109.75 3mo6 n GLY 193 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3mo6 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mo6 n ASP 194 N 0.00 0.46 -4.53 1.61 8.00 -1.17 -3.93 116.55 116.99 3mo6 n ASP 194 Ca 0.00 -0.10 -0.47 0.00 0.71 0.00 0.00 54.79 54.93 3mo6 n ASP 194 Cb 0.00 1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 42.27 3mo6 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mo6 n SER 195 N -2.18 0.50 0.00 -2.24 7.64 -1.26 -1.58 113.62 114.51 3mo6 n SER 195 Ca -0.01 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3mo6 n SER 195 Cb 0.50 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 3mo6 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mo6 n GLY 196 N 1.64 3.30 3.94 0.23 0.00 0.01 -0.83 105.19 113.48 3mo6 n GLY 196 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3mo6 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mo6 s GLY 197 N -2.40 1.71 0.38 -0.02 0.00 -0.61 -3.33 107.32 103.05 3mo6 s GLY 197 Ca 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.45 3mo6 s GLY 197 CO 0.00 -0.57 0.88 2.56 0.00 0.00 0.00 173.10 175.97 3mo6 s PRO 198 N -5.38 4.20 -0.30 2.90 0.04 -1.26 -0.55 135.00 134.65 3mo6 s PRO 198 Ca 0.64 1.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 3mo6 s PRO 198 Cb -0.09 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3mo6 s PRO 198 CO 0.46 0.07 0.10 -1.17 0.04 0.00 0.00 177.00 176.51 3mo6 s LEU 199 N -2.96 3.92 -0.24 -3.56 2.96 -0.34 -3.22 118.68 115.25 3mo6 s LEU 199 Ca 0.58 -0.64 -0.10 0.00 -0.22 0.00 0.00 54.13 53.75 3mo6 s LEU 199 Cb -0.11 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3mo6 s LEU 199 CO 0.16 -0.19 0.14 -1.00 -1.32 0.00 0.00 176.35 174.14 3mo6 s HIS 200 N 1.54 3.29 0.00 5.38 3.76 0.47 -1.12 115.29 128.61 3mo6 s HIS 200 Ca 0.03 0.16 0.06 0.00 -0.15 0.00 0.00 55.06 55.16 3mo6 s HIS 200 Cb -0.17 -2.25 -0.02 0.00 1.11 0.00 0.00 32.58 31.25 3mo6 s HIS 200 CO 0.04 0.04 -0.18 0.00 -0.85 0.00 0.00 174.74 173.78 3mo6 s LEU 202 N -0.61 4.41 -0.09 0.00 2.96 -1.15 -1.76 118.68 122.43 3mo6 s LEU 202 Ca 0.07 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3mo6 s LEU 202 Cb -0.07 -2.60 0.02 0.00 0.50 0.00 0.00 46.19 44.04 3mo6 s LEU 202 CO -0.00 -0.54 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.72 3mo6 s VAL 203 N 2.45 0.96 -1.52 1.68 1.01 0.24 -4.81 120.40 120.41 3mo6 s VAL 203 Ca 0.19 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3mo6 s VAL 203 Cb -0.15 -0.95 0.08 0.00 0.00 0.00 0.00 36.38 35.35 3mo6 s VAL 203 CO 0.14 0.34 0.88 0.59 0.00 0.00 0.00 175.10 177.05 3mo6 n ASN 204 N 4.51 -3.82 0.00 3.32 3.02 -1.26 -2.37 115.26 118.67 3mo6 n ASN 204 Ca -0.17 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3mo6 n ASN 204 Cb 0.51 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 3mo6 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mo6 n GLY 205 N -1.65 1.68 3.47 7.41 0.00 -1.26 -5.02 105.19 109.83 3mo6 n GLY 205 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3mo6 n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mo6 s GLN 206 N -0.34 1.72 0.06 1.61 -1.52 -1.00 -5.10 119.66 115.10 3mo6 s GLN 206 Ca 0.00 -1.23 -0.26 0.00 -1.95 0.00 0.00 55.36 51.93 3mo6 s GLN 206 Cb 0.00 -2.07 -0.06 0.00 -0.22 0.00 0.00 33.01 30.66 3mo6 s GLN 206 CO 0.00 0.47 0.79 0.71 -0.25 0.00 0.00 175.29 177.01 3mo6 s TYR 207 N -1.18 3.76 0.11 0.91 2.02 -1.26 -0.59 117.35 121.12 3mo6 s TYR 207 Ca 0.18 1.53 0.04 0.00 -0.37 0.00 0.00 57.07 58.45 3mo6 s TYR 207 Cb -0.10 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 3mo6 s TYR 207 CO 0.10 0.29 -0.10 0.00 -1.57 0.00 0.00 175.55 174.26 3mo6 s ALA 208 N -0.15 1.21 -0.51 3.71 0.00 -0.72 -4.72 121.76 120.59 3mo6 s ALA 208 Ca 0.39 -1.30 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 3mo6 s ALA 208 Cb -0.21 0.04 0.04 0.00 0.00 0.00 0.00 23.12 22.99 3mo6 s ALA 208 CO 0.24 -0.07 0.81 0.08 0.00 0.00 0.00 175.76 176.82 3mo6 s VAL 209 N -2.82 4.59 -0.70 0.00 1.01 0.44 -0.91 120.40 122.01 3mo6 s VAL 209 Ca 0.10 0.14 0.22 0.00 0.00 0.00 0.00 61.98 62.43 3mo6 s VAL 209 Cb -0.00 -4.41 -0.25 0.00 0.00 0.00 0.00 36.38 31.72 3mo6 s VAL 209 CO -0.00 -0.91 0.81 1.41 0.00 0.00 0.00 175.10 176.41 3mo6 n HIS 210 N 6.90 0.02 -3.84 5.22 8.25 -0.28 -4.19 115.22 127.31 3mo6 n HIS 210 Ca -0.00 0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 3mo6 n HIS 210 Cb 0.47 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 3mo6 n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mo6 s GLY 211 N -3.47 -0.04 -0.22 -1.41 0.00 -1.18 -1.57 107.32 99.44 3mo6 s GLY 211 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 3mo6 s GLY 211 CO 0.87 -0.01 -0.05 0.14 0.00 0.00 0.00 173.10 174.05 3mo6 s VAL 212 N -0.98 3.35 0.16 1.40 1.01 -0.78 -1.20 120.40 123.35 3mo6 s VAL 212 Ca -0.11 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 3mo6 s VAL 212 Cb -0.06 -2.52 -0.11 0.00 0.00 0.00 0.00 36.38 33.70 3mo6 s VAL 212 CO 0.02 0.43 1.78 -0.89 0.00 0.00 0.00 175.10 176.44 3mo6 s THR 213 N 1.41 2.30 0.03 3.92 2.01 0.28 -0.59 115.64 125.02 3mo6 s THR 213 Ca 0.05 0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 3mo6 s THR 213 Cb -0.14 -3.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.34 3mo6 s THR 213 CO -0.03 0.00 -0.01 -0.24 -0.69 0.00 0.00 174.62 173.65 3mo6 n SER 214 N 4.93 0.57 -3.48 3.53 2.88 -0.12 -0.80 113.62 121.13 3mo6 n SER 214 Ca 0.17 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.67 3mo6 n SER 214 Cb 0.37 -0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.62 3mo6 n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3mo6 s PHE 215 N -2.03 -0.46 0.35 0.66 -0.71 -0.78 -4.96 117.98 110.05 3mo6 s PHE 215 Ca -0.01 0.23 0.04 0.00 -1.04 0.00 0.00 56.93 56.14 3mo6 s PHE 215 Cb 0.00 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.24 3mo6 s PHE 215 CO 0.02 -0.81 0.07 0.14 -1.34 0.00 0.00 175.22 173.30 3mo6 s VAL 216 N -3.73 1.05 0.80 -2.49 -7.23 -1.26 -1.49 120.40 106.05 3mo6 s VAL 216 Ca 0.01 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.06 3mo6 s VAL 216 Cb -0.00 -2.67 0.08 0.00 0.56 0.00 0.00 36.38 34.34 3mo6 s VAL 216 CO -0.12 0.00 1.15 -0.94 -0.31 0.00 0.00 175.10 174.88 3mo6 s SER 217 N -3.53 3.92 0.48 4.85 1.04 -1.26 -4.89 113.70 114.31 3mo6 s SER 217 Ca 0.33 2.15 0.27 0.00 0.48 0.00 0.00 55.95 59.18 3mo6 s SER 217 Cb 0.07 -2.56 1.09 0.00 0.10 0.00 0.00 66.02 64.72 3mo6 s SER 217 CO 0.15 -2.44 1.89 0.03 0.98 0.00 0.00 173.24 173.85 3mo6 h ARG 217 N -0.98 0.00 0.05 4.02 3.08 -2.00 -3.26 114.38 115.28 3mo6 h ARG 217 Ca -0.45 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.39 3mo6 h ARG 217 Cb 1.27 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.34 3mo6 h ARG 217 CO 0.48 0.14 -0.85 -0.07 -1.07 0.00 0.00 179.97 178.59 3mo6 h LEU 218 N 0.00 0.66 -7.01 3.04 3.38 -2.05 -3.49 115.31 109.84 3mo6 h LEU 218 Ca -0.00 -0.81 0.24 0.00 0.09 0.00 0.00 57.88 57.40 3mo6 h LEU 218 Cb 0.65 -0.20 -0.18 0.00 0.09 0.00 0.00 40.66 41.01 3mo6 h LEU 218 CO 0.02 1.39 0.76 -0.83 0.09 0.00 0.00 178.44 179.87 3mo6 s GLY 219 N -4.25 -0.32 -0.01 0.83 0.00 -1.23 -5.07 107.32 97.26 3mo6 s GLY 219 Ca -0.12 1.47 -0.22 0.00 0.00 0.00 0.00 44.72 45.85 3mo6 s GLY 219 CO 0.86 0.49 0.95 0.00 0.00 0.00 0.00 173.10 175.40 3mo6 s ASN 221 N -4.72 7.14 -0.12 0.00 4.22 -1.26 -4.68 114.94 115.52 3mo6 s ASN 221 Ca -0.12 -3.24 0.02 0.00 -2.14 0.00 0.00 52.86 47.38 3mo6 s ASN 221 Cb 0.01 -2.25 -0.01 0.00 1.28 0.00 0.00 41.25 40.29 3mo6 s ASN 221 CO 0.37 -0.45 -0.18 -0.69 -2.04 0.00 0.00 177.10 174.11 3mo6 s VAL 221 N -0.35 2.56 0.25 3.54 1.01 -1.26 -4.60 120.40 121.55 3mo6 s VAL 221 Ca 0.30 -0.84 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 3mo6 s VAL 221 Cb -0.09 -2.03 -0.12 0.00 0.00 0.00 0.00 36.38 34.14 3mo6 s VAL 221 CO -0.07 0.54 1.57 0.41 0.00 0.00 0.00 175.10 177.54 3mo6 n THR 222 N 3.57 0.73 -1.56 3.92 -1.04 -1.26 -1.80 114.28 116.85 3mo6 n THR 222 Ca -0.19 -0.18 -0.17 0.00 -2.04 0.00 0.00 64.05 61.47 3mo6 n THR 222 Cb 0.53 -1.79 -0.07 0.00 -1.82 0.00 0.00 70.33 67.18 3mo6 n THR 222 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3mo6 n ARG 223 N 2.54 -1.19 -3.44 -2.82 1.74 -0.68 -4.92 116.66 107.88 3mo6 n ARG 223 Ca 0.11 1.08 -0.26 0.00 -0.77 0.00 0.00 57.85 58.01 3mo6 n ARG 223 Cb 0.34 -5.31 -0.09 0.00 -1.02 0.00 0.00 32.46 26.38 3mo6 n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mo6 n LYS 224 N -2.52 1.76 -1.46 5.56 4.76 -0.74 -4.27 118.16 121.25 3mo6 n LYS 224 Ca -0.17 -4.15 -0.36 0.00 -2.87 0.00 0.00 58.31 50.76 3mo6 n LYS 224 Cb 0.57 -1.95 0.09 0.00 -1.84 0.00 0.00 35.03 31.89 3mo6 n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3mo6 n PRO 225 N 1.35 0.69 -1.77 1.97 -0.04 -1.26 -4.57 135.00 131.37 3mo6 n PRO 225 Ca 0.26 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.60 3mo6 n PRO 225 Cb 0.44 -2.37 -0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3mo6 n PRO 225 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3mo6 n THR 226 N -2.39 1.90 -4.48 0.52 -1.04 -0.69 -4.75 114.28 103.35 3mo6 n THR 226 Ca 0.14 -0.48 -0.34 0.00 -2.04 0.00 0.00 64.05 61.34 3mo6 n THR 226 Cb 0.49 -1.98 -0.12 0.00 -1.82 0.00 0.00 70.33 66.89 3mo6 n THR 226 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3mo6 s VAL 227 N -1.01 3.76 0.06 12.58 1.01 -0.56 -1.68 120.40 134.57 3mo6 s VAL 227 Ca 0.54 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.20 3mo6 s VAL 227 Cb -0.48 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3mo6 s VAL 227 CO 0.62 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 175.63 3mo6 s PHE 228 N 0.25 2.07 0.17 5.22 0.08 0.24 -0.95 117.98 125.06 3mo6 s PHE 228 Ca -0.04 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.30 3mo6 s PHE 228 Cb -0.14 -1.21 -0.10 0.00 -0.57 0.00 0.00 43.02 41.00 3mo6 s PHE 228 CO 0.03 0.15 1.54 0.99 -0.10 0.00 0.00 175.22 177.83 3mo6 s THR 229 N -0.88 2.68 -0.48 0.64 2.01 0.25 -0.63 115.64 119.24 3mo6 s THR 229 Ca 0.10 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.32 3mo6 s THR 229 Cb -0.10 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.12 3mo6 s THR 229 CO 0.03 0.04 1.07 -0.60 -0.69 0.00 0.00 174.62 174.47 3mo6 s ARG 230 N 1.00 3.65 0.40 4.92 3.52 -0.13 -1.87 118.95 130.44 3mo6 s ARG 230 Ca 0.69 0.42 0.07 0.00 -0.13 0.00 0.00 55.73 56.77 3mo6 s ARG 230 Cb -0.43 -3.92 0.81 0.00 -1.56 0.00 0.00 34.95 29.85 3mo6 s ARG 230 CO 0.32 -1.35 2.02 0.28 -0.81 0.00 0.00 175.30 175.77 3mo6 h VAL 231 N 6.19 1.12 0.00 7.11 2.07 -1.59 -2.12 116.25 129.03 3mo6 h VAL 231 Ca -0.23 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3mo6 h VAL 231 Cb 1.06 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3mo6 h VAL 231 CO 1.10 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 177.29 3mo6 n SER 232 N -4.43 0.40 -0.00 0.57 3.41 -1.26 -0.72 113.62 111.58 3mo6 n SER 232 Ca 0.03 0.62 0.15 0.00 -0.26 0.00 0.00 58.87 59.40 3mo6 n SER 232 Cb 0.10 -0.70 0.71 0.00 -0.26 0.00 0.00 64.21 64.06 3mo6 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mo6 n ALA 233 N -1.67 2.44 -0.50 7.33 0.00 -0.80 -1.64 120.51 125.67 3mo6 n ALA 233 Ca 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3mo6 n ALA 233 Cb 0.15 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.14 3mo6 n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mo6 n TYR 234 N -1.35 0.00 -0.22 0.00 4.02 0.10 -4.81 117.16 114.90 3mo6 n TYR 234 Ca 0.12 -0.38 -0.03 0.00 -0.01 0.00 0.00 57.90 57.60 3mo6 n TYR 234 Cb 0.27 -0.05 0.08 0.00 -0.02 0.00 0.00 39.34 39.63 3mo6 n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3mo6 h ILE 235 N 1.24 1.01 -0.59 -0.72 1.08 -1.73 -0.19 117.51 117.60 3mo6 h ILE 235 Ca 0.00 -0.24 -0.08 0.00 -0.39 0.00 0.00 64.86 64.15 3mo6 h ILE 235 Cb 0.74 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 3mo6 h ILE 235 CO 0.00 0.13 0.04 0.77 -0.69 0.00 0.00 178.15 178.39 3mo6 h SER 236 N 0.69 0.99 0.01 1.72 4.64 -1.92 -1.68 113.55 118.01 3mo6 h SER 236 Ca 0.27 -0.29 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3mo6 h SER 236 Cb 0.11 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3mo6 h SER 236 CO -0.15 1.04 -0.05 -0.25 -0.87 0.00 0.00 176.83 176.54 3mo6 h TRP 237 N 0.92 -0.14 -0.46 4.77 7.01 -1.80 0.12 115.95 126.37 3mo6 h TRP 237 Ca 0.17 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.22 3mo6 h TRP 237 Cb 0.50 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.58 3mo6 h TRP 237 CO 0.04 -0.09 0.20 0.82 -2.79 0.00 0.00 178.44 176.62 3mo6 h ILE 238 N -0.10 0.91 -0.50 2.65 2.04 -0.83 -1.42 117.51 120.25 3mo6 h ILE 238 Ca 0.02 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 3mo6 h ILE 238 Cb 0.12 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3mo6 h ILE 238 CO -0.05 0.07 -0.05 0.78 0.00 0.00 0.00 178.15 178.91 3mo6 h ASN 239 N 0.40 0.86 -0.59 1.72 2.35 -1.13 -1.56 115.58 117.63 3mo6 h ASN 239 Ca 0.21 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 3mo6 h ASN 239 Cb 0.16 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3mo6 h ASN 239 CO -0.18 0.95 0.01 0.78 -1.65 0.00 0.00 177.43 177.34 3mo6 h ASN 240 N 0.80 1.01 -0.26 5.81 2.35 -0.50 -2.06 115.58 122.73 3mo6 h ASN 240 Ca 0.14 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3mo6 h ASN 240 Cb 0.54 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3mo6 h ASN 240 CO 0.03 1.06 0.10 0.58 -1.65 0.00 0.00 177.43 177.56 3mo6 h VAL 241 N 0.93 1.17 -0.26 2.81 2.07 -1.00 -2.47 116.25 119.50 3mo6 h VAL 241 Ca 0.17 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 3mo6 h VAL 241 Cb 0.54 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3mo6 h VAL 241 CO 0.03 0.18 -0.26 0.40 0.02 0.00 0.00 177.57 177.94 3mo6 h ILE 242 N 0.27 1.27 0.00 4.57 2.04 -1.15 -2.48 117.51 122.03 3mo6 h ILE 242 Ca 0.09 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 3mo6 h ILE 242 Cb 0.18 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3mo6 h ILE 242 CO -0.01 0.41 -0.41 0.00 0.00 0.00 0.00 178.15 178.15 3mo6 h ALA 243 N 1.28 0.78 0.12 1.87 0.00 -1.38 -3.09 119.26 118.84 3mo6 h ALA 243 Ca 0.06 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 54.33 3mo6 h ALA 243 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3mo6 h ALA 243 CO 0.05 0.51 -1.23 0.77 0.00 0.00 0.00 179.25 179.36 3mo6 h SER 244 N 0.00 0.39 -0.02 0.00 0.02 -1.15 -3.51 113.55 109.28 3mo6 h SER 244 Ca -0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3mo6 h SER 244 Cb 1.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3mo6 h SER 244 CO 0.05 1.33 0.00 0.59 -1.14 0.00 0.00 176.83 177.66