#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2up1 s GLU 9 N 0.00 2.71 0.44 1.97 1.03 -1.26 -4.98 118.70 118.61 2up1 s GLU 9 Ca 0.00 0.60 -0.24 0.00 0.03 0.00 0.00 54.97 55.36 2up1 s GLU 9 Cb 0.00 -1.99 -0.10 0.00 -0.80 0.00 0.00 34.13 31.24 2up1 s GLU 9 CO 0.00 -1.17 1.07 -2.30 -1.33 0.00 0.00 175.26 171.53 2up1 n PRO 10 N -3.12 1.44 -0.10 -4.83 -0.02 -1.26 -4.86 135.00 122.25 2up1 n PRO 10 Ca 0.07 0.52 -0.06 0.00 -2.02 0.00 0.00 63.50 62.01 2up1 n PRO 10 Cb 0.56 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.93 2up1 n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2up1 h GLU 11 N 1.57 0.17 -1.00 -0.52 4.22 -1.98 -2.04 114.58 115.01 2up1 h GLU 11 Ca -0.46 -0.01 0.19 0.00 0.08 0.00 0.00 59.36 59.16 2up1 h GLU 11 Cb 1.33 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.44 2up1 h GLU 11 CO 0.57 0.11 0.60 0.37 -2.18 0.00 0.00 179.01 178.48 2up1 h GLN 12 N 0.17 0.74 0.00 1.92 5.75 -1.95 0.19 115.11 121.93 2up1 h GLN 12 Ca 0.17 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2up1 h GLN 12 Cb 0.20 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.58 2up1 h GLN 12 CO -0.23 0.49 0.00 1.28 -2.65 0.00 0.00 178.83 177.72 2up1 n LEU 13 N -4.77 0.25 -0.99 -2.39 4.77 -0.81 -3.19 117.00 109.86 2up1 n LEU 13 Ca 0.23 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 2up1 n LEU 13 Cb 0.57 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2up1 n LEU 13 CO 0.21 -0.07 0.66 0.54 -1.33 0.00 0.00 177.39 177.39 2up1 n ARG 14 N -1.73 2.35 -4.62 3.23 1.74 0.63 -4.69 116.66 113.57 2up1 n ARG 14 Ca 0.06 -1.98 -0.33 0.00 -0.77 0.00 0.00 57.85 54.83 2up1 n ARG 14 Cb 0.36 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 2up1 n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2up1 s LYS 15 N -1.88 2.60 -0.00 5.56 2.20 -0.94 -0.87 119.74 126.40 2up1 s LYS 15 Ca 0.31 -0.66 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 2up1 s LYS 15 Cb 0.21 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 2up1 s LYS 15 CO 0.31 0.63 -0.21 -0.51 -0.36 0.00 0.00 175.35 175.20 2up1 s LEU 16 N -1.04 2.36 0.01 5.43 1.43 0.46 -2.26 118.68 125.08 2up1 s LEU 16 Ca 0.14 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.61 2up1 s LEU 16 Cb -0.11 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 2up1 s LEU 16 CO 0.04 0.30 0.65 0.12 0.23 0.00 0.00 176.35 177.69 2up1 s PHE 17 N -0.74 3.69 -0.31 0.29 5.36 0.31 -1.91 117.98 124.67 2up1 s PHE 17 Ca 0.12 1.28 0.03 0.00 -0.96 0.00 0.00 56.93 57.40 2up1 s PHE 17 Cb -0.10 -2.68 0.08 0.00 -0.34 0.00 0.00 43.02 39.97 2up1 s PHE 17 CO 0.01 0.31 -0.00 0.42 -1.46 0.00 0.00 175.22 174.50 2up1 s ILE 18 N -0.09 2.38 0.41 3.12 -1.09 0.64 0.42 121.20 126.99 2up1 s ILE 18 Ca 0.34 -1.97 0.02 0.00 -2.23 0.00 0.00 60.65 56.81 2up1 s ILE 18 Cb -0.19 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.10 2up1 s ILE 18 CO 0.19 -0.34 0.60 -0.83 -1.23 0.00 0.00 174.94 173.33 2up1 s GLY 19 N 1.08 1.55 -1.09 6.18 0.00 0.10 -1.52 107.32 113.62 2up1 s GLY 19 Ca 0.02 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.52 2up1 s GLY 19 CO -0.06 -1.03 0.70 0.61 0.00 0.00 0.00 173.10 173.32 2up1 n GLY 20 N -1.93 -0.20 3.78 0.20 0.00 -1.08 0.11 105.19 106.07 2up1 n GLY 20 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2up1 n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2up1 s LEU 21 N -5.48 4.02 0.62 0.99 1.02 -0.53 -4.43 118.68 114.89 2up1 s LEU 21 Ca 0.35 2.17 -0.18 0.00 0.02 0.00 0.00 54.13 56.49 2up1 s LEU 21 Cb -0.15 -4.28 -0.02 0.00 0.02 0.00 0.00 46.19 41.76 2up1 s LEU 21 CO 0.43 -0.79 1.18 -0.55 0.02 0.00 0.00 176.35 176.64 2up1 s SER 22 N -1.51 5.10 0.53 2.29 0.15 -1.26 -4.72 113.70 114.28 2up1 s SER 22 Ca 0.63 2.30 0.25 0.00 0.70 0.00 0.00 55.95 59.82 2up1 s SER 22 Cb -0.25 -2.59 1.40 0.00 -1.71 0.00 0.00 66.02 62.87 2up1 s SER 22 CO 0.30 -1.65 2.01 2.19 1.20 0.00 0.00 173.24 177.30 2up1 h PHE 23 N 0.64 0.00 -0.57 3.44 -5.15 -1.97 -1.54 116.94 111.79 2up1 h PHE 23 Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 2up1 h PHE 23 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 2up1 h PHE 23 CO 0.48 0.00 0.00 -0.85 -2.00 0.00 0.00 178.31 175.94 2up1 n GLU 24 N -4.36 2.41 -2.64 6.09 0.28 -1.26 -4.77 120.64 116.39 2up1 n GLU 24 Ca 0.08 -2.09 -0.41 0.00 -0.16 0.00 0.00 57.16 54.58 2up1 n GLU 24 Cb 0.55 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.91 2up1 n GLU 24 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2up1 s THR 25 N -1.28 4.36 0.42 3.84 2.01 -0.58 -4.99 115.64 119.41 2up1 s THR 25 Ca 0.39 1.89 0.07 0.00 0.31 0.00 0.00 61.69 64.35 2up1 s THR 25 Cb 0.21 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 2up1 s THR 25 CO 0.26 0.26 0.02 0.28 -0.69 0.00 0.00 174.62 174.74 2up1 s THR 26 N 0.22 1.95 0.30 -0.82 -1.32 -1.26 -4.97 115.64 109.74 2up1 s THR 26 Ca 0.50 -1.99 0.04 0.00 -1.21 0.00 0.00 61.69 59.03 2up1 s THR 26 Cb -0.25 -2.94 0.29 0.00 -1.51 0.00 0.00 72.50 68.09 2up1 s THR 26 CO 0.31 0.00 1.81 0.44 -2.21 0.00 0.00 174.62 174.97 2up1 h ASP 27 N 1.73 0.85 0.76 8.08 3.32 -1.92 -0.60 116.42 128.62 2up1 h ASP 27 Ca -0.44 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 2up1 h ASP 27 Cb 1.25 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.71 2up1 h ASP 27 CO 0.80 0.38 -0.36 -0.33 -1.72 0.00 0.00 179.24 178.01 2up1 h GLU 28 N 0.87 -0.98 -0.77 3.56 4.39 -1.95 -0.49 114.58 119.21 2up1 h GLU 28 Ca 0.53 0.07 0.05 0.00 0.34 0.00 0.00 59.36 60.35 2up1 h GLU 28 Cb 0.70 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 29.53 2up1 h GLU 28 CO -0.31 -0.63 0.51 0.66 -1.16 0.00 0.00 179.01 178.07 2up1 h SER 29 N -1.15 0.77 -0.16 1.42 4.64 -1.86 0.21 113.55 117.43 2up1 h SER 29 Ca -0.10 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 2up1 h SER 29 Cb 0.80 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2up1 h SER 29 CO 0.17 0.52 0.01 0.25 -0.87 0.00 0.00 176.83 176.90 2up1 h LEU 30 N 0.89 0.27 -0.22 5.97 5.85 -1.06 -2.37 115.31 124.63 2up1 h LEU 30 Ca 0.32 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2up1 h LEU 30 Cb 0.14 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2up1 h LEU 30 CO -0.10 0.50 0.14 -0.09 -0.34 0.00 0.00 178.44 178.55 2up1 h ARG 31 N 0.03 0.29 -0.46 1.25 2.43 -0.46 -1.55 114.38 115.92 2up1 h ARG 31 Ca 0.05 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.32 2up1 h ARG 31 Cb 0.36 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2up1 h ARG 31 CO 0.01 0.22 0.33 1.03 -1.51 0.00 0.00 179.97 180.05 2up1 h SER 32 N 0.28 0.00 0.00 -3.80 0.87 -0.50 -0.87 113.55 109.53 2up1 h SER 32 Ca 0.08 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 2up1 h SER 32 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2up1 h SER 32 CO -0.02 0.00 -0.45 -0.74 -0.53 0.00 0.00 176.83 175.10 2up1 h HIS 33 N 0.00 0.00 0.00 2.24 -0.00 -0.88 -3.39 115.15 113.13 2up1 h HIS 33 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2up1 h HIS 33 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 2up1 h HIS 33 CO 0.00 0.77 0.00 0.74 -0.00 0.00 0.00 177.93 179.44 2up1 h PHE 34 N -1.00 0.00 0.00 5.26 0.04 -1.19 -3.03 116.94 117.02 2up1 h PHE 34 Ca -0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.67 2up1 h PHE 34 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2up1 h PHE 34 CO 0.09 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.19 2up1 n GLU 35 N -2.30 0.06 0.00 1.51 1.02 -0.34 -2.64 120.64 117.95 2up1 n GLU 35 Ca 0.03 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.58 2up1 n GLU 35 Cb 0.30 -1.63 0.34 0.00 -0.02 0.00 0.00 31.44 30.43 2up1 n GLU 35 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2up1 n GLN 36 N -1.75 0.21 0.00 3.49 6.02 -1.15 -2.26 117.38 121.94 2up1 n GLN 36 Ca 0.02 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2up1 n GLN 36 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2up1 n GLN 36 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2up1 n TRP 37 N -1.27 0.00 -0.46 1.08 8.01 -1.08 -5.09 117.44 118.63 2up1 n TRP 37 Ca 0.07 -0.39 0.00 0.00 -1.31 0.00 0.00 57.50 55.87 2up1 n TRP 37 Cb 0.10 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.36 2up1 n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2up1 n GLY 38 N -0.39 -1.20 3.67 6.99 0.00 -0.96 -4.71 105.19 108.59 2up1 n GLY 38 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 2up1 n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2up1 s THR 39 N -1.79 4.80 -0.07 2.61 2.01 -1.26 -4.49 115.64 117.45 2up1 s THR 39 Ca 0.00 1.83 -0.20 0.00 0.31 0.00 0.00 61.69 63.63 2up1 s THR 39 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2up1 s THR 39 CO 0.00 -0.04 0.56 -0.76 -0.69 0.00 0.00 174.62 173.68 2up1 s LEU 40 N 2.47 4.34 0.00 4.42 1.43 -1.26 -0.66 118.68 129.42 2up1 s LEU 40 Ca 0.42 1.01 0.17 0.00 -1.03 0.00 0.00 54.13 54.70 2up1 s LEU 40 Cb -0.16 -2.84 -0.16 0.00 0.03 0.00 0.00 46.19 43.05 2up1 s LEU 40 CO 0.11 0.02 0.76 0.35 0.23 0.00 0.00 176.35 177.83 2up1 n THR 41 N 3.32 0.00 -3.60 5.49 -2.24 0.29 -4.91 114.28 112.64 2up1 n THR 41 Ca -0.06 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 2up1 n THR 41 Cb 0.51 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 2up1 n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2up1 s ASP 42 N -2.55 -0.49 -0.30 3.42 2.15 -1.17 -4.97 116.67 112.75 2up1 s ASP 42 Ca 0.08 0.78 -0.07 0.00 0.43 0.00 0.00 52.55 53.76 2up1 s ASP 42 Cb 0.13 0.72 0.16 0.00 -0.30 0.00 0.00 42.92 43.64 2up1 s ASP 42 CO 0.67 -0.29 0.70 0.00 -0.17 0.00 0.00 175.17 176.08 2up1 s VAL 44 N 2.84 0.04 -0.20 0.00 0.11 -0.36 -4.86 120.40 117.96 2up1 s VAL 44 Ca 0.06 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 58.73 2up1 s VAL 44 Cb -0.12 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2up1 s VAL 44 CO -0.19 -0.17 0.04 -0.69 -3.33 0.00 0.00 175.10 170.76 2up1 s VAL 45 N -0.64 4.43 -0.09 2.04 1.01 -1.26 -0.94 120.40 124.96 2up1 s VAL 45 Ca -0.07 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 2up1 s VAL 45 Cb -0.04 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 2up1 s VAL 45 CO 0.01 0.43 0.85 -0.04 0.00 0.00 0.00 175.10 176.35 2up1 s MET 46 N 0.73 4.42 0.07 2.72 -1.94 -0.36 -4.95 119.30 120.00 2up1 s MET 46 Ca 0.02 1.12 0.03 0.00 -1.71 0.00 0.00 55.69 55.15 2up1 s MET 46 Cb -0.14 -3.50 -0.03 0.00 2.01 0.00 0.00 34.83 33.17 2up1 s MET 46 CO 0.02 -0.13 -0.10 -0.98 -0.01 0.00 0.00 175.02 173.83 2up1 s ARG 47 N 1.40 0.73 -0.18 2.03 1.70 -1.26 0.11 118.95 123.49 2up1 s ARG 47 Ca 0.43 -1.01 -0.38 0.00 -0.47 0.00 0.00 55.73 54.30 2up1 s ARG 47 Cb -0.18 -0.46 -0.14 0.00 -0.57 0.00 0.00 34.95 33.60 2up1 s ARG 47 CO 0.19 0.07 1.77 -3.47 -1.08 0.00 0.00 175.30 172.78 2up1 n ASP 48 N 0.91 2.76 0.23 -2.89 2.03 0.62 -4.80 116.55 115.42 2up1 n ASP 48 Ca -0.19 1.04 0.15 0.00 0.52 0.00 0.00 54.79 56.31 2up1 n ASP 48 Cb 0.56 -1.24 0.79 0.00 -0.72 0.00 0.00 41.12 40.52 2up1 n ASP 48 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2up1 h PRO 49 N 7.77 0.00 0.00 -0.67 0.11 -1.93 0.55 132.00 137.83 2up1 h PRO 49 Ca -0.47 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.32 2up1 h PRO 49 Cb 1.30 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 2up1 h PRO 49 CO 0.95 0.00 -2.19 -1.71 -0.21 0.00 0.00 178.00 174.83 2up1 n ASN 50 N -2.55 1.88 -0.39 -2.05 5.15 -1.26 -4.66 115.26 111.38 2up1 n ASN 50 Ca -0.02 -0.08 0.04 0.00 -0.60 0.00 0.00 54.58 53.93 2up1 n ASN 50 Cb 0.10 0.06 0.06 0.00 -0.53 0.00 0.00 39.78 39.47 2up1 n ASN 50 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2up1 n THR 51 N -2.96 0.22 0.00 -0.44 -2.24 -1.12 -4.96 114.28 102.77 2up1 n THR 51 Ca -0.34 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 2up1 n THR 51 Cb 0.95 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.21 2up1 n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2up1 n LYS 52 N 0.46 0.00 -1.65 -0.78 4.76 0.19 -4.91 118.16 116.23 2up1 n LYS 52 Ca 0.06 0.00 -0.48 0.00 -2.87 0.00 0.00 58.31 55.02 2up1 n LYS 52 Cb 0.26 -3.09 -0.05 0.00 -1.84 0.00 0.00 35.03 30.31 2up1 n LYS 52 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2up1 n ARG 53 N -1.90 1.81 -1.74 1.97 5.12 -1.25 -4.31 116.66 116.35 2up1 n ARG 53 Ca 0.00 0.65 -0.42 0.00 -1.93 0.00 0.00 57.85 56.15 2up1 n ARG 53 Cb 0.00 -2.38 -0.01 0.00 -1.16 0.00 0.00 32.46 28.91 2up1 n ARG 53 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2up1 n SER 54 N 3.38 3.35 -0.42 0.55 2.88 -1.26 0.23 113.62 122.33 2up1 n SER 54 Ca 0.18 1.21 0.12 0.00 -1.33 0.00 0.00 58.87 59.05 2up1 n SER 54 Cb 0.25 -1.56 0.50 0.00 -0.75 0.00 0.00 64.21 62.66 2up1 n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2up1 n ARG 55 N 0.73 1.57 -1.26 -1.46 1.74 0.30 -4.69 116.66 113.59 2up1 n ARG 55 Ca 0.04 -0.84 -0.02 0.00 -0.77 0.00 0.00 57.85 56.26 2up1 n ARG 55 Cb 0.37 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 2up1 n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2up1 n GLY 56 N 1.10 0.48 3.57 -0.13 0.00 -1.25 -5.01 105.19 103.95 2up1 n GLY 56 Ca 0.18 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 2up1 n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2up1 s PHE 57 N -2.08 -0.32 0.00 1.61 -0.12 -1.26 -1.45 117.98 114.36 2up1 s PHE 57 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 2up1 s PHE 57 Cb 0.00 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 2up1 s PHE 57 CO 0.00 -0.98 0.00 0.41 -0.05 0.00 0.00 175.22 174.60 2up1 n GLY 58 N -0.39 1.63 2.95 1.99 0.00 -0.58 -1.23 105.19 109.57 2up1 n GLY 58 Ca -0.11 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 2up1 n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2up1 s PHE 59 N -6.43 0.22 -0.03 1.61 0.40 -0.12 -0.26 117.98 113.37 2up1 s PHE 59 Ca 0.00 -0.37 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 2up1 s PHE 59 Cb 0.00 -0.15 -0.00 0.00 0.51 0.00 0.00 43.02 43.37 2up1 s PHE 59 CO 0.00 -0.13 -0.14 0.14 0.70 0.00 0.00 175.22 175.80 2up1 s VAL 60 N -1.02 1.13 -0.10 -0.44 -7.23 -0.80 -1.23 120.40 110.71 2up1 s VAL 60 Ca -0.11 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.51 2up1 s VAL 60 Cb -0.07 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.91 2up1 s VAL 60 CO -0.01 0.33 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.08 2up1 s THR 61 N -0.01 1.42 0.34 5.32 2.01 0.93 -0.40 115.64 125.26 2up1 s THR 61 Ca -0.01 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2up1 s THR 61 Cb -0.09 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 2up1 s THR 61 CO 0.01 0.42 0.50 -0.31 -0.69 0.00 0.00 174.62 174.55 2up1 s TYR 62 N 0.92 3.24 0.40 4.92 1.51 -0.05 0.11 117.35 128.40 2up1 s TYR 62 Ca -0.08 -0.03 0.10 0.00 -1.01 0.00 0.00 57.07 56.04 2up1 s TYR 62 Cb -0.15 -1.97 0.84 0.00 -0.11 0.00 0.00 41.96 40.57 2up1 s TYR 62 CO -0.00 0.02 1.96 0.00 -1.11 0.00 0.00 175.55 176.41 2up1 h ALA 63 N 0.83 1.58 -2.32 3.71 0.00 -1.21 -3.43 119.26 118.42 2up1 h ALA 63 Ca -0.47 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 2up1 h ALA 63 Cb 1.25 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.79 2up1 h ALA 63 CO 0.56 0.31 -0.69 0.95 0.00 0.00 0.00 179.25 180.38 2up1 s THR 64 N -4.87 0.30 0.16 0.00 -4.23 -1.26 -4.74 115.64 100.99 2up1 s THR 64 Ca -0.06 -1.75 0.22 0.00 -1.18 0.00 0.00 61.69 58.93 2up1 s THR 64 Cb 0.16 -1.43 0.21 0.00 1.34 0.00 0.00 72.50 72.77 2up1 s THR 64 CO 0.73 -0.93 1.81 -0.37 -0.54 0.00 0.00 174.62 175.32 2up1 h VAL 65 N 3.26 0.66 -0.63 2.29 -1.51 -1.86 -2.51 116.25 115.95 2up1 h VAL 65 Ca -0.34 -1.21 -0.01 0.00 -1.23 0.00 0.00 66.70 63.90 2up1 h VAL 65 Cb 1.15 1.79 -0.03 0.00 -2.13 0.00 0.00 31.29 32.07 2up1 h VAL 65 CO 0.63 0.26 0.34 -0.08 -1.23 0.00 0.00 177.57 177.49 2up1 h GLU 66 N 0.00 0.88 0.00 5.19 4.81 -1.96 0.22 114.58 123.72 2up1 h GLU 66 Ca -0.00 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 2up1 h GLU 66 Cb 0.77 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2up1 h GLU 66 CO 0.03 0.65 -0.46 0.93 -0.73 0.00 0.00 179.01 179.44 2up1 h GLU 67 N 0.88 0.00 -0.31 1.92 5.08 -1.74 -0.51 114.58 119.90 2up1 h GLU 67 Ca 0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2up1 h GLU 67 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2up1 h GLU 67 CO -0.03 0.46 -0.13 0.28 -1.00 0.00 0.00 179.01 178.58 2up1 h VAL 68 N 0.00 1.29 -0.35 3.13 2.07 -0.71 -1.86 116.25 119.83 2up1 h VAL 68 Ca -0.00 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 2up1 h VAL 68 Cb 0.98 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2up1 h VAL 68 CO 0.06 0.39 -0.17 0.44 0.02 0.00 0.00 177.57 178.31 2up1 h ASP 69 N 0.39 0.63 -0.32 0.57 3.32 -0.30 -0.85 116.42 119.87 2up1 h ASP 69 Ca 0.07 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2up1 h ASP 69 Cb 0.65 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2up1 h ASP 69 CO 0.04 0.82 0.14 0.00 -1.72 0.00 0.00 179.24 178.51 2up1 h ALA 70 N 1.24 0.42 -0.67 3.45 0.00 -0.96 0.62 119.26 123.36 2up1 h ALA 70 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2up1 h ALA 70 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2up1 h ALA 70 CO 0.04 0.00 0.30 0.00 0.00 0.00 0.00 179.25 179.60 2up1 h ALA 71 N 0.98 0.87 0.00 0.00 0.00 -1.08 -1.96 119.26 118.08 2up1 h ALA 71 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2up1 h ALA 71 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2up1 h ALA 71 CO -0.01 0.45 -0.29 1.98 0.00 0.00 0.00 179.25 181.38 2up1 h MET 72 N 0.94 0.00 -0.00 0.00 -1.53 -0.86 -0.90 114.93 112.57 2up1 h MET 72 Ca 0.23 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.49 2up1 h MET 72 Cb 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.20 2up1 h MET 72 CO -0.02 0.29 -0.01 0.09 0.14 0.00 0.00 176.91 177.40 2up1 n ASN 73 N -4.19 0.03 -0.70 1.39 3.02 0.18 -3.13 115.26 111.87 2up1 n ASN 73 Ca -0.02 -0.15 0.12 0.00 -0.03 0.00 0.00 54.58 54.50 2up1 n ASN 73 Cb 0.34 -0.27 0.35 0.00 -0.61 0.00 0.00 39.78 39.58 2up1 n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2up1 n ALA 74 N -1.27 2.51 -1.71 5.41 0.00 -0.34 -4.95 120.51 120.15 2up1 n ALA 74 Ca 0.14 -0.61 -0.37 0.00 0.00 0.00 0.00 53.44 52.60 2up1 n ALA 74 Cb 0.25 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.73 2up1 n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2up1 n ARG 75 N 0.65 1.15 -2.54 0.00 1.74 -1.18 -4.44 116.66 112.03 2up1 n ARG 75 Ca 0.17 0.45 -0.34 0.00 -0.77 0.00 0.00 57.85 57.36 2up1 n ARG 75 Cb 0.43 -2.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.36 2up1 n ARG 75 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2up1 s PRO 76 N -3.20 3.82 -0.16 5.56 0.02 -1.26 -5.14 135.00 134.64 2up1 s PRO 76 Ca 0.80 1.37 -0.04 0.00 0.02 0.00 0.00 61.00 63.15 2up1 s PRO 76 Cb -0.39 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.99 2up1 s PRO 76 CO 0.43 -0.42 -0.04 -1.01 -0.33 0.00 0.00 177.00 175.63 2up1 s HIS 77 N -1.96 3.02 -0.22 6.54 3.76 -1.26 -5.08 115.29 120.07 2up1 s HIS 77 Ca 0.67 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 55.24 2up1 s HIS 77 Cb -0.17 -1.97 0.03 0.00 1.11 0.00 0.00 32.58 31.58 2up1 s HIS 77 CO 0.20 -0.07 -0.11 0.21 -0.85 0.00 0.00 174.74 174.12 2up1 s LYS 78 N 0.44 2.86 -0.16 1.40 2.20 -1.26 -1.52 119.74 123.69 2up1 s LYS 78 Ca -0.04 -0.94 0.01 0.00 -0.36 0.00 0.00 55.97 54.64 2up1 s LYS 78 Cb -0.14 -2.83 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 2up1 s LYS 78 CO 0.03 -0.34 -0.18 0.08 -0.36 0.00 0.00 175.35 174.59 2up1 s VAL 79 N 1.30 1.84 -1.40 4.02 1.01 -0.04 -4.67 120.40 122.46 2up1 s VAL 79 Ca 0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 2up1 s VAL 79 Cb -0.16 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2up1 s VAL 79 CO -0.07 0.50 1.10 0.47 0.00 0.00 0.00 175.10 177.10 2up1 n ASP 80 N 4.63 -6.22 0.00 3.32 8.00 -1.26 -2.03 116.55 122.99 2up1 n ASP 80 Ca -0.19 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.78 2up1 n ASP 80 Cb 0.50 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2up1 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2up1 n GLY 81 N -1.93 0.71 3.32 0.44 0.00 -1.26 -4.93 105.19 101.54 2up1 n GLY 81 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2up1 n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2up1 s ARG 82 N -0.23 3.23 -0.32 1.61 6.06 -0.86 -5.07 118.95 123.37 2up1 s ARG 82 Ca 0.00 -0.75 -0.29 0.00 -2.50 0.00 0.00 55.73 52.19 2up1 s ARG 82 Cb 0.00 -2.51 -0.01 0.00 0.06 0.00 0.00 34.95 32.49 2up1 s ARG 82 CO 0.00 0.22 1.63 0.08 -2.50 0.00 0.00 175.30 174.73 2up1 s VAL 83 N 0.30 3.66 0.62 7.11 1.01 -1.26 -0.86 120.40 130.99 2up1 s VAL 83 Ca -0.13 0.70 0.02 0.00 0.00 0.00 0.00 61.98 62.57 2up1 s VAL 83 Cb -0.16 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.47 2up1 s VAL 83 CO 0.07 -0.48 0.86 0.68 0.00 0.00 0.00 175.10 176.23 2up1 s VAL 84 N 6.00 2.35 -0.39 2.92 -7.23 -0.58 -4.90 120.40 118.58 2up1 s VAL 84 Ca 0.72 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 2up1 s VAL 84 Cb -0.20 -2.64 0.12 0.00 0.56 0.00 0.00 36.38 34.22 2up1 s VAL 84 CO 0.32 0.00 0.18 -0.70 -0.31 0.00 0.00 175.10 174.59 2up1 s GLU 85 N -4.89 1.07 0.36 4.82 2.12 0.12 -4.55 118.70 117.75 2up1 s GLU 85 Ca 0.62 -1.66 -0.27 0.00 0.36 0.00 0.00 54.97 54.03 2up1 s GLU 85 Cb -0.07 -2.23 -0.09 0.00 0.26 0.00 0.00 34.13 32.00 2up1 s GLU 85 CO 0.41 -1.09 1.19 -2.14 -0.54 0.00 0.00 175.26 173.09 2up1 s PRO 86 N 0.84 4.24 -0.17 4.30 0.02 -1.26 -0.72 135.00 142.25 2up1 s PRO 86 Ca 0.15 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.91 2up1 s PRO 86 Cb -0.22 -2.88 0.05 0.00 0.02 0.00 0.00 34.50 31.48 2up1 s PRO 86 CO -0.09 -0.19 0.51 0.15 -0.33 0.00 0.00 177.00 177.06 2up1 s LYS 87 N -2.00 0.64 0.23 5.54 1.02 0.17 -4.94 119.74 120.39 2up1 s LYS 87 Ca 0.53 0.61 -0.31 0.00 0.02 0.00 0.00 55.97 56.82 2up1 s LYS 87 Cb -0.33 0.31 -0.14 0.00 -0.52 0.00 0.00 37.83 37.14 2up1 s LYS 87 CO 0.43 -0.10 1.28 0.54 -0.92 0.00 0.00 175.35 176.58 2up1 n ARG 88 N 2.55 1.69 -2.41 1.68 5.12 -1.26 0.12 116.66 124.14 2up1 n ARG 88 Ca -0.14 0.60 -0.42 0.00 -1.93 0.00 0.00 57.85 55.95 2up1 n ARG 88 Cb 0.56 -2.17 -0.03 0.00 -1.16 0.00 0.00 32.46 29.66 2up1 n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2up1 s ALA 89 N -0.25 3.55 -0.16 7.54 0.00 -0.96 -4.56 121.76 126.93 2up1 s ALA 89 Ca 0.68 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 53.06 2up1 s ALA 89 Cb -0.72 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 18.81 2up1 s ALA 89 CO 0.52 -0.91 0.59 0.08 0.00 0.00 0.00 175.76 176.04 2up1 s VAL 90 N 2.63 5.08 0.76 0.00 1.01 -1.26 -4.90 120.40 123.71 2up1 s VAL 90 Ca 0.57 1.13 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 2up1 s VAL 90 Cb -0.25 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2up1 s VAL 90 CO 0.21 0.19 0.60 -1.54 0.00 0.00 0.00 175.10 174.56 2up1 n SER 91 N 4.49 -0.99 -0.28 3.32 3.41 -1.26 -4.56 113.62 117.74 2up1 n SER 91 Ca -0.03 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 2up1 n SER 91 Cb 0.51 -1.25 0.32 0.00 -0.26 0.00 0.00 64.21 63.52 2up1 n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2up1 h ARG 92 N -0.55 0.80 -0.35 4.33 3.08 -1.98 0.18 114.38 119.89 2up1 h ARG 92 Ca -0.45 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.49 2up1 h ARG 92 Cb 1.33 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2up1 h ARG 92 CO 0.42 0.53 -0.02 1.49 -1.07 0.00 0.00 179.97 181.32 2up1 h GLU 93 N 0.82 0.63 0.00 0.04 4.81 -2.02 -3.07 114.58 115.79 2up1 h GLU 93 Ca 0.43 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2up1 h GLU 93 Cb 0.51 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2up1 h GLU 93 CO -0.19 0.76 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.97 2up1 h ASP 94 N 0.43 0.00 0.41 1.04 3.32 -1.66 -2.95 116.42 117.01 2up1 h ASP 94 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2up1 h ASP 94 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2up1 h ASP 94 CO 0.02 0.44 0.00 -1.20 -1.72 0.00 0.00 179.24 176.78 2up1 n SER 95 N -3.41 0.50 0.18 6.45 7.64 0.54 -1.24 113.62 124.28 2up1 n SER 95 Ca 0.01 0.66 0.06 0.00 1.01 0.00 0.00 58.87 60.61 2up1 n SER 95 Cb 0.60 -0.75 0.22 0.00 -1.01 0.00 0.00 64.21 63.27 2up1 n SER 95 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2up1 h GLN 96 N 0.00 0.00 -7.00 1.43 5.75 -1.54 -3.45 115.11 110.30 2up1 h GLN 96 Ca 0.00 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 57.99 2up1 h GLN 96 Cb 0.20 0.00 0.07 0.00 1.07 0.00 0.00 27.48 28.82 2up1 h GLN 96 CO 0.00 0.38 0.50 1.03 -2.65 0.00 0.00 178.83 178.09 2up1 s ARG 97 N -3.31 3.75 0.18 1.69 1.81 -0.37 -4.96 118.95 117.74 2up1 s ARG 97 Ca 0.02 1.84 -0.32 0.00 -1.72 0.00 0.00 55.73 55.56 2up1 s ARG 97 Cb 0.09 -2.44 -0.11 0.00 -0.45 0.00 0.00 34.95 32.04 2up1 s ARG 97 CO 0.70 -0.58 1.68 -2.14 -0.68 0.00 0.00 175.30 174.28 2up1 s PRO 98 N -2.65 4.16 -0.78 3.54 0.02 -1.26 -2.31 135.00 135.73 2up1 s PRO 98 Ca 0.63 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.17 2up1 s PRO 98 Cb -0.30 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.06 2up1 s PRO 98 CO 0.37 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2up1 n GLY 99 N 3.92 0.82 0.33 0.52 0.00 -1.26 -4.86 105.19 104.67 2up1 n GLY 99 Ca 0.15 -0.15 0.20 0.00 0.00 0.00 0.00 46.02 46.22 2up1 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2up1 h ALA 100 N 0.00 1.24 -0.42 4.61 0.00 -1.75 -2.28 119.26 120.66 2up1 h ALA 100 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2up1 h ALA 100 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2up1 h ALA 100 CO 0.22 -0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.14 2up1 n HIS 101 N -3.34 0.56 -2.31 0.00 8.25 -1.26 -4.99 115.22 112.13 2up1 n HIS 101 Ca -0.03 -0.44 -0.34 0.00 -0.26 0.00 0.00 57.72 56.66 2up1 n HIS 101 Cb 0.12 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 2up1 n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2up1 s LEU 102 N -1.03 3.72 -0.68 2.41 1.43 -0.86 -4.98 118.68 118.69 2up1 s LEU 102 Ca 0.30 1.99 -0.19 0.00 -1.03 0.00 0.00 54.13 55.21 2up1 s LEU 102 Cb 0.16 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.94 2up1 s LEU 102 CO 0.21 -1.05 0.79 -0.89 0.23 0.00 0.00 176.35 175.65 2up1 s THR 103 N -2.02 4.86 0.19 5.49 2.01 -1.26 -5.02 115.64 119.89 2up1 s THR 103 Ca 0.68 -1.21 0.09 0.00 0.31 0.00 0.00 61.69 61.56 2up1 s THR 103 Cb -0.19 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 2up1 s THR 103 CO 0.27 -1.20 -0.18 0.68 -0.69 0.00 0.00 174.62 173.49 2up1 s VAL 104 N 2.49 1.95 -0.85 3.82 -7.23 -1.26 -5.04 120.40 114.28 2up1 s VAL 104 Ca 0.16 -2.06 0.13 0.00 -1.81 0.00 0.00 61.98 58.40 2up1 s VAL 104 Cb -0.19 -1.98 -0.08 0.00 0.56 0.00 0.00 36.38 34.69 2up1 s VAL 104 CO 0.02 -0.36 0.62 0.29 -0.31 0.00 0.00 175.10 175.36 2up1 n LYS 105 N 0.02 2.46 -4.77 4.82 5.02 -1.26 -4.33 118.16 120.11 2up1 n LYS 105 Ca -0.11 -0.29 -0.33 0.00 -2.02 0.00 0.00 58.31 55.56 2up1 n LYS 105 Cb 0.58 -1.13 -0.13 0.00 -0.02 0.00 0.00 35.03 34.33 2up1 n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2up1 s LYS 106 N -1.97 2.76 0.10 1.97 2.20 -1.26 -0.09 119.74 123.45 2up1 s LYS 106 Ca 0.07 -0.64 0.09 0.00 -0.36 0.00 0.00 55.97 55.13 2up1 s LYS 106 Cb 0.10 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 2up1 s LYS 106 CO 0.44 0.56 -0.19 0.96 -0.36 0.00 0.00 175.35 176.76 2up1 s ILE 107 N -0.55 2.79 -0.20 5.43 -4.36 -0.50 -1.83 121.20 121.98 2up1 s ILE 107 Ca 0.08 -1.44 -0.15 0.00 -0.26 0.00 0.00 60.65 58.87 2up1 s ILE 107 Cb -0.12 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.30 2up1 s ILE 107 CO 0.02 0.16 0.38 0.12 0.24 0.00 0.00 174.94 175.85 2up1 s PHE 108 N -1.08 3.37 -0.36 1.37 5.36 0.18 -2.25 117.98 124.57 2up1 s PHE 108 Ca 0.17 0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 56.70 2up1 s PHE 108 Cb -0.11 -2.50 0.08 0.00 -0.34 0.00 0.00 43.02 40.15 2up1 s PHE 108 CO 0.09 0.00 0.10 0.08 -1.46 0.00 0.00 175.22 174.03 2up1 s VAL 109 N 1.28 3.10 0.06 3.12 1.01 0.96 -1.00 120.40 128.93 2up1 s VAL 109 Ca 0.18 -1.77 0.04 0.00 0.00 0.00 0.00 61.98 60.43 2up1 s VAL 109 Cb -0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2up1 s VAL 109 CO 0.08 -0.43 0.00 -0.83 0.00 0.00 0.00 175.10 173.92 2up1 s GLY 110 N 1.50 1.91 0.00 4.51 0.00 0.12 -0.22 107.32 115.15 2up1 s GLY 110 Ca 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2up1 s GLY 110 CO -0.03 -1.00 0.00 0.61 0.00 0.00 0.00 173.10 172.68 2up1 n GLY 111 N 0.82 0.99 3.88 0.20 0.00 -0.40 -0.72 105.19 109.96 2up1 n GLY 111 Ca -0.12 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 2up1 n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2up1 s ILE 112 N -2.44 5.43 0.78 -0.61 -4.36 -0.98 -4.65 121.20 114.37 2up1 s ILE 112 Ca 0.00 0.03 -0.14 0.00 -0.26 0.00 0.00 60.65 60.28 2up1 s ILE 112 Cb 0.00 -3.44 0.06 0.00 1.25 0.00 0.00 42.46 40.33 2up1 s ILE 112 CO 0.00 0.49 1.13 0.29 0.24 0.00 0.00 174.94 177.10 2up1 n LYS 113 N 1.54 0.32 -0.17 0.37 5.02 -1.26 -4.50 118.16 119.48 2up1 n LYS 113 Ca -0.16 0.18 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 2up1 n LYS 113 Cb 0.54 -2.38 0.41 0.00 -0.02 0.00 0.00 35.03 33.58 2up1 n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2up1 h GLU 114 N -0.65 0.59 -0.60 1.97 4.39 -1.97 -1.65 114.58 116.65 2up1 h GLU 114 Ca -0.47 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2up1 h GLU 114 Cb 1.31 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2up1 h GLU 114 CO 0.46 0.39 0.00 -0.40 -1.16 0.00 0.00 179.01 178.31 2up1 n ASP 115 N -4.49 2.38 -4.74 1.42 5.75 -1.26 -4.90 116.55 110.71 2up1 n ASP 115 Ca 0.12 -2.22 -0.41 0.00 -0.01 0.00 0.00 54.79 52.27 2up1 n ASP 115 Cb 0.35 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 2up1 n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2up1 s THR 116 N -1.67 2.99 0.31 2.12 2.01 -0.62 -5.02 115.64 115.76 2up1 s THR 116 Ca 0.22 0.82 0.07 0.00 0.31 0.00 0.00 61.69 63.11 2up1 s THR 116 Cb 0.14 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 2up1 s THR 116 CO 0.10 0.13 -0.05 -1.61 -0.69 0.00 0.00 174.62 172.50 2up1 s GLU 117 N -0.25 1.66 0.35 4.92 2.02 -1.26 -5.04 118.70 121.11 2up1 s GLU 117 Ca 0.57 -1.87 0.09 0.00 0.02 0.00 0.00 54.97 53.78 2up1 s GLU 117 Cb -0.39 -1.29 0.81 0.00 0.10 0.00 0.00 34.13 33.36 2up1 s GLU 117 CO 0.40 0.03 1.87 0.93 0.02 0.00 0.00 175.26 178.51 2up1 h GLU 118 N 2.15 0.68 -0.22 1.61 5.08 -1.99 -1.02 114.58 120.87 2up1 h GLU 118 Ca -0.41 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2up1 h GLU 118 Cb 1.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2up1 h GLU 118 CO 0.70 0.45 0.03 1.12 -1.00 0.00 0.00 179.01 180.30 2up1 h HIS 119 N 0.70 0.31 -0.16 4.33 2.07 -1.99 -1.15 115.15 119.25 2up1 h HIS 119 Ca 0.45 -0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.96 2up1 h HIS 119 Cb 0.72 -0.10 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 2up1 h HIS 119 CO -0.00 0.30 0.09 0.45 -3.07 0.00 0.00 177.93 175.70 2up1 h HIS 120 N 0.31 0.17 -0.65 6.12 3.86 -1.59 0.25 115.15 123.62 2up1 h HIS 120 Ca 0.07 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2up1 h HIS 120 Cb 0.16 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 2up1 h HIS 120 CO 0.00 0.10 0.35 -0.07 0.86 0.00 0.00 177.93 179.18 2up1 h LEU 121 N 0.19 0.81 -0.25 2.43 3.38 -1.32 -2.89 115.31 117.65 2up1 h LEU 121 Ca 0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2up1 h LEU 121 Cb -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2up1 h LEU 121 CO -0.03 0.65 -0.15 0.03 0.09 0.00 0.00 178.44 179.03 2up1 h ARG 122 N 0.91 0.55 0.00 1.13 3.08 -0.60 -0.57 114.38 118.88 2up1 h ARG 122 Ca 0.23 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2up1 h ARG 122 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2up1 h ARG 122 CO -0.04 0.82 0.00 -0.25 -1.07 0.00 0.00 179.97 179.43 2up1 n ASP 123 N -4.45 0.22 -0.06 7.04 8.00 0.02 -1.63 116.55 125.69 2up1 n ASP 123 Ca -0.04 0.60 -0.11 0.00 0.71 0.00 0.00 54.79 55.95 2up1 n ASP 123 Cb 0.37 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 2up1 n ASP 123 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2up1 n TYR 124 N -1.79 0.00 0.12 1.24 9.36 -1.13 -4.80 117.16 120.16 2up1 n TYR 124 Ca -0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.23 2up1 n TYR 124 Cb 0.02 -0.42 -0.00 0.00 -0.63 0.00 0.00 39.34 38.31 2up1 n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2up1 h PHE 125 N -0.26 0.00 -0.39 2.98 0.04 -1.02 -3.33 116.94 114.96 2up1 h PHE 125 Ca -0.28 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.56 2up1 h PHE 125 Cb 1.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 2up1 h PHE 125 CO -0.02 0.53 0.26 0.93 -0.60 0.00 0.00 178.31 179.41 2up1 h GLU 126 N 0.00 0.22 -0.11 1.51 5.08 -1.50 -0.30 114.58 119.48 2up1 h GLU 126 Ca -0.03 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2up1 h GLU 126 Cb 1.43 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 2up1 h GLU 126 CO 0.06 0.15 0.16 1.96 -1.00 0.00 0.00 179.01 180.34 2up1 h GLN 127 N 0.23 0.00 0.00 2.33 4.20 -1.80 -1.56 115.11 118.51 2up1 h GLN 127 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2up1 h GLN 127 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2up1 h GLN 127 CO -0.03 0.00 -0.64 0.66 -0.67 0.00 0.00 178.83 178.15 2up1 n TYR 128 N -3.61 0.17 0.00 2.96 4.02 -0.12 -5.04 117.16 115.54 2up1 n TYR 128 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2up1 n TYR 128 Cb 0.26 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2up1 n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2up1 n GLY 129 N 1.44 0.62 3.67 2.72 0.00 -0.59 -4.55 105.19 108.51 2up1 n GLY 129 Ca 0.04 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 2up1 n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2up1 s LYS 130 N -1.81 4.19 -0.18 1.61 2.47 -1.26 -4.49 119.74 120.27 2up1 s LYS 130 Ca 0.00 2.27 -0.18 0.00 -1.56 0.00 0.00 55.97 56.49 2up1 s LYS 130 Cb 0.00 -3.86 -0.03 0.00 -1.46 0.00 0.00 37.83 32.48 2up1 s LYS 130 CO 0.00 -0.81 0.51 0.42 0.16 0.00 0.00 175.35 175.64 2up1 s ILE 131 N 3.55 5.12 -0.21 5.43 1.01 -1.26 -1.72 121.20 133.12 2up1 s ILE 131 Ca 0.75 0.97 0.09 0.00 0.00 0.00 0.00 60.65 62.45 2up1 s ILE 131 Cb -0.36 -3.84 -0.21 0.00 0.01 0.00 0.00 42.46 38.05 2up1 s ILE 131 CO 0.32 0.21 -0.00 -0.62 0.00 0.00 0.00 174.94 174.84 2up1 n GLU 132 N 4.52 0.67 -3.82 2.79 -0.58 0.19 -4.93 120.64 119.49 2up1 n GLU 132 Ca -0.05 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.66 2up1 n GLU 132 Cb 0.51 -1.55 -0.12 0.00 -0.57 0.00 0.00 31.44 29.71 2up1 n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2up1 s VAL 133 N -2.51 0.01 -0.07 2.62 1.01 -0.74 -4.97 120.40 115.75 2up1 s VAL 133 Ca -0.21 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2up1 s VAL 133 Cb 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.20 2up1 s VAL 133 CO 0.73 -0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 175.08 2up1 s ILE 134 N -0.10 0.82 -0.23 2.22 1.01 -1.26 0.36 121.20 124.02 2up1 s ILE 134 Ca -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 2up1 s ILE 134 Cb -0.02 -0.82 0.07 0.00 0.01 0.00 0.00 42.46 41.70 2up1 s ILE 134 CO 0.00 0.30 0.04 -1.61 0.00 0.00 0.00 174.94 173.68 2up1 s GLU 135 N 1.10 0.81 -0.47 2.79 2.02 0.98 -4.99 118.70 120.94 2up1 s GLU 135 Ca -0.07 -0.68 -0.22 0.00 0.02 0.00 0.00 54.97 54.02 2up1 s GLU 135 Cb -0.14 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 31.99 2up1 s GLU 135 CO -0.01 -0.73 0.74 0.42 0.02 0.00 0.00 175.26 175.70 2up1 s ILE 136 N 1.73 4.70 0.26 -1.63 1.01 -1.26 -0.24 121.20 125.77 2up1 s ILE 136 Ca 0.01 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 2up1 s ILE 136 Cb -0.17 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 37.89 2up1 s ILE 136 CO -0.13 -0.75 1.16 -0.04 0.00 0.00 0.00 174.94 175.18 2up1 s MET 137 N 3.13 4.55 0.22 2.79 -1.94 -0.84 -5.01 119.30 122.21 2up1 s MET 137 Ca 0.25 1.88 0.04 0.00 -1.71 0.00 0.00 55.69 56.16 2up1 s MET 137 Cb -0.14 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.46 2up1 s MET 137 CO 0.19 0.06 -0.04 0.95 -0.01 0.00 0.00 175.02 176.17 2up1 s THR 138 N -0.80 1.20 0.32 2.05 -4.23 -1.26 -2.14 115.64 110.78 2up1 s THR 138 Ca 0.48 -2.06 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 2up1 s THR 138 Cb -0.33 -2.24 -0.09 0.00 1.34 0.00 0.00 72.50 71.17 2up1 s THR 138 CO 0.41 -0.42 1.08 -0.62 -0.54 0.00 0.00 174.62 174.54 2up1 s ASP 139 N -3.30 7.06 -0.05 3.99 -1.08 0.27 -4.84 116.67 118.72 2up1 s ASP 139 Ca 0.26 2.20 -0.30 0.00 -0.52 0.00 0.00 52.55 54.19 2up1 s ASP 139 Cb 0.04 -2.61 -0.05 0.00 -1.46 0.00 0.00 42.92 38.84 2up1 s ASP 139 CO 0.07 -0.28 1.56 -0.13 0.52 0.00 0.00 175.17 176.91 2up1 s ARG 140 N -1.83 4.21 0.00 4.34 0.52 -1.26 -1.48 118.95 123.44 2up1 s ARG 140 Ca 0.49 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.79 2up1 s ARG 140 Cb -0.29 -3.86 0.00 0.00 0.52 0.00 0.00 34.95 31.33 2up1 s ARG 140 CO 0.36 -0.77 0.00 0.41 0.02 0.00 0.00 175.30 175.32 2up1 n GLY 141 N 3.97 2.55 0.14 -3.53 0.00 -1.26 -4.70 105.19 102.36 2up1 n GLY 141 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2up1 n GLY 141 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2up1 h SER 142 N 0.00 0.56 0.00 1.61 0.87 -1.94 -3.47 113.55 111.18 2up1 h SER 142 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2up1 h SER 142 Cb 0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2up1 h SER 142 CO 0.00 1.70 0.00 0.61 -0.53 0.00 0.00 176.83 178.61 2up1 n GLY 143 N 1.79 2.31 3.75 5.77 0.00 -0.55 -4.96 105.19 113.30 2up1 n GLY 143 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2up1 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2up1 s LYS 144 N -0.31 4.14 0.26 1.61 -0.14 -1.26 -4.54 119.74 119.50 2up1 s LYS 144 Ca 0.00 2.54 -0.30 0.00 -1.36 0.00 0.00 55.97 56.85 2up1 s LYS 144 Cb 0.00 -3.03 -0.10 0.00 -1.68 0.00 0.00 37.83 33.02 2up1 s LYS 144 CO 0.00 -0.59 1.35 0.15 -0.76 0.00 0.00 175.35 175.51 2up1 s LYS 145 N -0.68 4.34 0.00 1.68 3.01 -1.26 0.94 119.74 127.77 2up1 s LYS 145 Ca 0.61 2.19 0.24 0.00 -1.01 0.00 0.00 55.97 58.01 2up1 s LYS 145 Cb -0.47 -3.12 0.30 0.00 -1.01 0.00 0.00 37.83 33.53 2up1 s LYS 145 CO 0.49 -0.29 1.30 0.54 0.51 0.00 0.00 175.35 177.90 2up1 n ARG 146 N 1.93 1.58 -1.02 1.68 1.74 -0.91 -4.82 116.66 116.85 2up1 n ARG 146 Ca 0.04 -1.23 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 2up1 n ARG 146 Cb 0.42 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 2up1 n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2up1 n GLY 147 N 1.35 0.48 3.47 -0.13 0.00 -1.26 -4.99 105.19 104.11 2up1 n GLY 147 Ca 0.12 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2up1 n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2up1 s PHE 148 N -2.00 -0.22 0.15 1.61 -0.12 -1.26 -1.28 117.98 114.87 2up1 s PHE 148 Ca 0.00 -0.09 -0.10 0.00 -0.05 0.00 0.00 56.93 56.69 2up1 s PHE 148 Cb 0.00 0.41 -0.00 0.00 -0.63 0.00 0.00 43.02 42.79 2up1 s PHE 148 CO 0.00 -0.87 0.29 0.00 -0.05 0.00 0.00 175.22 174.60 2up1 s ALA 149 N -3.84 -0.14 -0.05 1.99 0.00 0.70 -1.98 121.76 118.44 2up1 s ALA 149 Ca 0.06 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.31 2up1 s ALA 149 Cb -0.01 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2up1 s ALA 149 CO -0.06 -0.64 -0.23 -0.06 0.00 0.00 0.00 175.76 174.77 2up1 s PHE 150 N -3.94 2.49 -0.11 0.00 0.08 0.67 -0.03 117.98 117.14 2up1 s PHE 150 Ca 0.14 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.63 2up1 s PHE 150 Cb 0.03 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 2up1 s PHE 150 CO -0.02 -0.12 -0.12 0.08 -0.10 0.00 0.00 175.22 174.94 2up1 s VAL 151 N -0.30 1.27 -0.15 -0.44 1.01 -0.96 -0.01 120.40 120.81 2up1 s VAL 151 Ca 0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2up1 s VAL 151 Cb -0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 2up1 s VAL 151 CO 0.02 0.40 -0.02 -0.89 0.00 0.00 0.00 175.10 174.62 2up1 s THR 152 N 1.27 4.08 0.48 3.92 2.01 0.16 -1.41 115.64 126.15 2up1 s THR 152 Ca -0.02 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.76 2up1 s THR 152 Cb -0.14 -2.79 0.02 0.00 0.01 0.00 0.00 72.50 69.60 2up1 s THR 152 CO -0.04 0.50 0.45 -0.36 -0.69 0.00 0.00 174.62 174.47 2up1 s PHE 153 N 0.23 2.14 -1.12 4.92 0.40 0.87 0.58 117.98 125.99 2up1 s PHE 153 Ca -0.01 -0.65 0.24 0.00 -0.60 0.00 0.00 56.93 55.91 2up1 s PHE 153 Cb -0.14 -2.09 0.30 0.00 0.51 0.00 0.00 43.02 41.61 2up1 s PHE 153 CO 0.02 -0.40 1.27 -3.47 0.70 0.00 0.00 175.22 173.35 2up1 n ASP 154 N -1.73 0.76 -3.90 1.36 -0.08 -0.70 -4.67 116.55 107.59 2up1 n ASP 154 Ca 0.04 -0.58 -0.19 0.00 -1.51 0.00 0.00 54.79 52.55 2up1 n ASP 154 Cb 0.63 0.46 -0.16 0.00 2.34 0.00 0.00 41.12 44.39 2up1 n ASP 154 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2up1 s ASP 155 N -2.93 0.80 0.46 1.67 -1.08 -1.26 -5.03 116.67 109.30 2up1 s ASP 155 Ca 0.12 -0.11 0.18 0.00 -0.52 0.00 0.00 52.55 52.22 2up1 s ASP 155 Cb 0.17 -0.34 1.11 0.00 -1.46 0.00 0.00 42.92 42.40 2up1 s ASP 155 CO 0.73 -0.03 2.01 1.12 0.52 0.00 0.00 175.17 179.51 2up1 h HIS 156 N 6.93 0.00 0.00 -5.34 2.07 -1.89 -2.19 115.15 114.73 2up1 h HIS 156 Ca -0.37 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.11 2up1 h HIS 156 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.13 2up1 h HIS 156 CO 0.48 0.18 -0.16 0.22 -3.07 0.00 0.00 177.93 175.58 2up1 h ASP 157 N 0.00 0.00 -0.32 3.10 3.58 -1.96 -0.76 116.42 120.06 2up1 h ASP 157 Ca -0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2up1 h ASP 157 Cb 0.34 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2up1 h ASP 157 CO 0.02 0.16 -0.15 0.28 -2.88 0.00 0.00 179.24 176.67 2up1 h SER 158 N 0.00 0.77 -0.00 2.28 0.02 -1.63 0.91 113.55 115.89 2up1 h SER 158 Ca -0.00 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2up1 h SER 158 Cb 0.45 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 2up1 h SER 158 CO 0.02 0.93 -0.00 0.58 -1.14 0.00 0.00 176.83 177.22 2up1 h VAL 159 N 0.69 1.34 -0.98 2.27 2.07 -1.32 -2.74 116.25 117.57 2up1 h VAL 159 Ca 0.11 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.70 2up1 h VAL 159 Cb 0.64 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 2up1 h VAL 159 CO 0.05 0.26 0.63 0.44 0.02 0.00 0.00 177.57 178.97 2up1 h ASP 160 N -0.42 1.01 -0.14 0.57 3.32 -0.98 0.55 116.42 120.33 2up1 h ASP 160 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2up1 h ASP 160 Cb 0.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2up1 h ASP 160 CO 0.00 0.64 0.04 0.11 -1.72 0.00 0.00 179.24 178.31 2up1 h LYS 161 N 1.15 0.32 0.10 3.56 1.57 -0.80 -2.80 116.57 119.66 2up1 h LYS 161 Ca 0.42 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2up1 h LYS 161 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2up1 h LYS 161 CO -0.17 0.31 -0.05 0.82 -0.57 0.00 0.00 179.45 179.79 2up1 h ILE 162 N 0.31 0.54 -0.01 1.86 2.04 -0.69 -3.35 117.51 118.21 2up1 h ILE 162 Ca 0.08 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2up1 h ILE 162 Cb 0.16 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2up1 h ILE 162 CO -0.00 0.17 0.03 -0.37 0.00 0.00 0.00 178.15 177.97 2up1 h VAL 163 N -0.99 0.18 0.00 1.67 -1.51 -0.98 -0.52 116.25 114.10 2up1 h VAL 163 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2up1 h VAL 163 Cb 0.38 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 2up1 h VAL 163 CO 0.02 0.00 0.00 0.16 -1.23 0.00 0.00 177.57 176.52 2up1 h ILE 164 N 0.00 0.00 -4.09 7.19 3.07 -1.63 -3.44 117.51 118.61 2up1 h ILE 164 Ca 0.00 -0.78 -0.47 0.00 1.55 0.00 0.00 64.86 65.17 2up1 h ILE 164 Cb 0.05 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 2up1 h ILE 164 CO -0.00 0.00 0.33 -1.10 -1.05 0.00 0.00 178.15 176.33 2up1 s GLN 165 N -3.29 4.01 -0.11 0.16 -1.52 -0.21 -5.01 119.66 113.69 2up1 s GLN 165 Ca 0.06 0.94 -0.11 0.00 -1.95 0.00 0.00 55.36 54.30 2up1 s GLN 165 Cb 0.07 -2.19 -0.27 0.00 -0.22 0.00 0.00 33.01 30.41 2up1 s GLN 165 CO 0.62 -0.16 0.47 -0.22 -0.25 0.00 0.00 175.29 175.74 2up1 h LYS 166 N 1.29 0.27 -6.48 2.91 3.64 -1.86 -3.48 116.57 112.85 2up1 h LYS 166 Ca -0.47 -0.46 -0.66 0.00 -1.27 0.00 0.00 60.65 57.78 2up1 h LYS 166 Cb 1.18 0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 33.02 2up1 h LYS 166 CO 0.62 1.22 -0.72 0.71 -2.27 0.00 0.00 179.45 179.00 2up1 s TYR 167 N -2.53 2.79 -0.14 1.91 2.02 -1.26 -4.91 117.35 115.23 2up1 s TYR 167 Ca -0.21 -0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 2up1 s TYR 167 Cb 0.06 -1.48 0.07 0.00 -0.40 0.00 0.00 41.96 40.21 2up1 s TYR 167 CO 0.77 0.42 0.30 -1.01 -1.57 0.00 0.00 175.55 174.47 2up1 s HIS 168 N -1.19 -0.51 -0.33 2.71 3.76 -1.26 -5.05 115.29 113.43 2up1 s HIS 168 Ca 0.21 1.10 -0.12 0.00 -0.15 0.00 0.00 55.06 56.10 2up1 s HIS 168 Cb -0.11 0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.61 2up1 s HIS 168 CO 0.13 -0.38 0.22 0.99 -0.85 0.00 0.00 174.74 174.86 2up1 s THR 169 N 2.37 5.21 -0.07 1.30 2.01 -1.26 -1.15 115.64 124.05 2up1 s THR 169 Ca -0.00 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2up1 s THR 169 Cb -0.12 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.77 2up1 s THR 169 CO -0.10 0.05 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.07 2up1 s VAL 170 N 1.72 1.16 -1.34 3.82 1.01 0.31 -4.76 120.40 122.32 2up1 s VAL 170 Ca 0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2up1 s VAL 170 Cb -0.17 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.16 2up1 s VAL 170 CO 0.10 0.36 0.75 -3.20 0.00 0.00 0.00 175.10 173.12 2up1 n ASN 171 N 3.84 -1.78 0.00 3.32 5.15 -1.26 -2.14 115.26 122.40 2up1 n ASN 171 Ca -0.22 -0.80 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 2up1 n ASN 171 Cb 0.52 -4.07 0.00 0.00 -0.53 0.00 0.00 39.78 35.69 2up1 n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2up1 n GLY 172 N -1.59 1.07 3.12 8.20 0.00 -1.26 -4.93 105.19 109.79 2up1 n GLY 172 Ca -0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 2up1 n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2up1 s HIS 173 N -3.00 0.54 0.49 1.61 3.76 -0.91 -5.09 115.29 112.69 2up1 s HIS 173 Ca 0.00 -1.05 -0.22 0.00 -0.15 0.00 0.00 55.06 53.64 2up1 s HIS 173 Cb 0.00 -0.37 -0.07 0.00 1.11 0.00 0.00 32.58 33.25 2up1 s HIS 173 CO 0.00 -0.43 1.17 1.21 -0.85 0.00 0.00 174.74 175.85 2up1 s ASN 174 N -2.94 5.99 0.05 1.40 3.84 -1.26 -0.53 114.94 121.50 2up1 s ASN 174 Ca 0.10 2.31 -0.02 0.00 0.21 0.00 0.00 52.86 55.46 2up1 s ASN 174 Cb 0.08 -2.60 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 2up1 s ASN 174 CO -0.08 -1.04 0.01 0.00 -2.79 0.00 0.00 177.10 173.19 2up1 s GLU 176 N -3.74 4.24 -0.13 0.00 2.12 0.10 -4.12 118.70 117.17 2up1 s GLU 176 Ca 0.05 0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.43 2up1 s GLU 176 Cb 0.06 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 31.03 2up1 s GLU 176 CO -0.09 0.24 -0.22 0.08 -0.54 0.00 0.00 175.26 174.72 2up1 s VAL 177 N 0.48 2.09 0.20 3.70 1.01 -1.26 0.13 120.40 126.75 2up1 s VAL 177 Ca 0.14 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2up1 s VAL 177 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2up1 s VAL 177 CO 0.03 0.55 0.06 -0.13 0.00 0.00 0.00 175.10 175.60 2up1 s ARG 178 N 0.65 1.20 0.41 2.72 0.52 -0.17 -4.77 118.95 119.52 2up1 s ARG 178 Ca -0.11 -1.61 -0.25 0.00 -0.52 0.00 0.00 55.73 53.24 2up1 s ARG 178 Cb -0.16 -0.14 -0.08 0.00 0.52 0.00 0.00 34.95 35.08 2up1 s ARG 178 CO 0.02 -0.23 1.16 0.15 0.02 0.00 0.00 175.30 176.42 2up1 s LYS 179 N -4.00 3.99 0.14 3.54 1.02 -1.26 0.51 119.74 123.68 2up1 s LYS 179 Ca 0.30 1.80 -0.30 0.00 0.02 0.00 0.00 55.97 57.80 2up1 s LYS 179 Cb 0.07 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.72 2up1 s LYS 179 CO 0.08 -0.37 0.98 0.00 -0.92 0.00 0.00 175.35 175.12 2up1 s ALA 180 N -1.46 3.28 0.07 5.17 0.00 -0.76 -4.52 121.76 123.53 2up1 s ALA 180 Ca 0.59 0.62 0.04 0.00 0.00 0.00 0.00 51.96 53.21 2up1 s ALA 180 Cb -0.30 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2up1 s ALA 180 CO 0.37 -0.02 -0.02 -0.51 0.00 0.00 0.00 175.76 175.58 2up1 s LEU 181 N -0.25 3.40 0.89 0.00 1.43 -1.26 -4.98 118.68 117.92 2up1 s LEU 181 Ca 0.46 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 2up1 s LEU 181 Cb -0.25 -2.09 0.13 0.00 0.03 0.00 0.00 46.19 44.01 2up1 s LEU 181 CO 0.31 0.21 1.13 -0.94 0.23 0.00 0.00 176.35 177.29 2up1 s SER 182 N -2.07 3.65 0.27 2.29 1.04 -1.26 -4.65 113.70 112.96 2up1 s SER 182 Ca 0.23 1.02 -0.00 0.00 0.48 0.00 0.00 55.95 57.68 2up1 s SER 182 Cb -0.12 -1.62 0.59 0.00 0.10 0.00 0.00 66.02 64.98 2up1 s SER 182 CO 0.15 -2.47 1.70 0.50 0.98 0.00 0.00 173.24 174.10 2up1 h LYS 183 N -1.44 0.37 -0.18 4.02 3.64 -1.99 0.15 116.57 121.14 2up1 h LYS 183 Ca -0.50 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 58.70 2up1 h LYS 183 Cb 1.32 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2up1 h LYS 183 CO 0.61 0.24 -0.52 1.96 -2.27 0.00 0.00 179.45 179.48 2up1 h GLN 184 N 0.38 0.67 -0.61 1.90 4.20 -1.98 -2.25 115.11 117.41 2up1 h GLN 184 Ca 0.49 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2up1 h GLN 184 Cb 0.86 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 2up1 h GLN 184 CO -0.50 1.10 0.36 0.93 -0.67 0.00 0.00 178.83 180.05 2up1 h GLU 185 N 0.35 0.82 0.21 1.46 5.08 -1.57 0.31 114.58 121.25 2up1 h GLU 185 Ca -0.01 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2up1 h GLU 185 Cb 1.14 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2up1 h GLU 185 CO 0.11 0.59 -0.30 0.52 -1.00 0.00 0.00 179.01 178.94 2up1 h MET 186 N 0.82 -0.55 0.00 2.33 2.86 -0.76 0.17 114.93 119.80 2up1 h MET 186 Ca 0.22 0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2up1 h MET 186 Cb -0.02 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2up1 h MET 186 CO -0.04 -0.37 -0.04 0.00 1.06 0.00 0.00 176.91 177.52 2up1 h ALA 187 N 0.05 1.79 0.00 6.32 0.00 -1.09 -0.08 119.26 126.26 2up1 h ALA 187 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2up1 h ALA 187 Cb 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2up1 h ALA 187 CO -0.11 0.05 -0.33 1.03 0.00 0.00 0.00 179.25 179.89 2up1 h SER 188 N 0.00 0.00 0.33 0.00 0.87 0.62 -3.21 113.55 112.16 2up1 h SER 188 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2up1 h SER 188 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2up1 h SER 188 CO 0.00 0.17 -1.02 0.00 -0.53 0.00 0.00 176.83 175.46 2up1 n ALA 189 N -2.16 3.65 0.66 6.23 0.00 0.50 -5.06 120.51 124.32 2up1 n ALA 189 Ca 0.02 -0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.07 2up1 n ALA 189 Cb 0.61 -0.94 0.31 0.00 0.00 0.00 0.00 19.45 19.43 2up1 n ALA 189 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95