#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cua n THR 18 N 0.00 0.19 -4.08 5.15 -2.24 -1.26 -4.63 114.28 107.41 1cua n THR 18 Ca 0.00 0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.55 1cua n THR 18 Cb 0.00 -0.61 -0.17 0.00 -2.10 0.00 0.00 70.33 67.45 1cua n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cua s THR 19 N -2.77 1.28 -0.05 4.28 2.01 -1.26 -0.77 115.64 118.35 1cua s THR 19 Ca 0.19 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 1cua s THR 19 Cb 0.17 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.48 1cua s THR 19 CO 0.43 0.41 -0.00 -0.13 -0.69 0.00 0.00 174.62 174.63 1cua s ARG 20 N 1.44 0.50 -0.34 4.92 1.81 -1.26 -4.98 118.95 121.03 1cua s ARG 20 Ca 0.02 0.07 0.13 0.00 -1.72 0.00 0.00 55.73 54.22 1cua s ARG 20 Cb -0.13 -0.73 0.46 0.00 -0.45 0.00 0.00 34.95 34.10 1cua s ARG 20 CO -0.07 -0.19 1.09 -0.25 -0.68 0.00 0.00 175.30 175.19 1cua n ASP 21 N 4.54 3.26 -0.24 0.23 8.00 -1.25 -1.68 116.55 129.42 1cua n ASP 21 Ca -0.18 -3.11 0.05 0.00 0.71 0.00 0.00 54.79 52.26 1cua n ASP 21 Cb 0.50 -0.45 0.29 0.00 -0.02 0.00 0.00 41.12 41.44 1cua n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1cua h ASP 22 N 2.60 0.79 -0.08 -2.24 3.32 -1.70 -0.19 116.42 118.93 1cua h ASP 22 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1cua h ASP 22 Cb 1.21 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1cua h ASP 22 CO 0.60 0.52 -0.07 0.25 -1.72 0.00 0.00 179.24 178.82 1cua h LEU 23 N 0.90 0.20 -0.66 1.55 5.85 -1.90 0.27 115.31 121.52 1cua h LEU 23 Ca 0.34 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1cua h LEU 23 Cb 0.19 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1cua h LEU 23 CO -0.12 0.62 0.16 0.40 -0.34 0.00 0.00 178.44 179.17 1cua h ILE 24 N -0.23 1.26 0.00 4.05 2.04 -1.87 -2.96 117.51 119.79 1cua h ILE 24 Ca 0.01 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1cua h ILE 24 Cb 0.56 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1cua h ILE 24 CO 0.02 0.36 -0.39 0.78 0.00 0.00 0.00 178.15 178.91 1cua h ASN 25 N 0.97 0.00 -3.92 1.72 2.35 -1.08 -3.48 115.58 112.15 1cua h ASN 25 Ca 0.21 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.41 1cua h ASN 25 Cb 0.36 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.85 1cua h ASN 25 CO 0.00 0.20 0.67 0.61 -1.65 0.00 0.00 177.43 177.26 1cua n GLY 26 N 1.17 0.95 3.65 2.83 0.00 0.93 -4.98 105.19 109.74 1cua n GLY 26 Ca 0.02 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1cua n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cua s ASN 27 N -0.49 6.84 0.54 1.61 -0.87 -1.26 -4.94 114.94 116.37 1cua s ASN 27 Ca 0.61 1.05 0.20 0.00 -1.57 0.00 0.00 52.86 53.15 1cua s ASN 27 Cb -0.46 -2.44 1.39 0.00 -0.02 0.00 0.00 41.25 39.73 1cua s ASN 27 CO 0.57 -0.49 2.15 -1.28 -2.57 0.00 0.00 177.10 175.48 1cua h SER 28 N 7.63 0.00 1.22 -1.22 0.87 -1.94 0.49 113.55 120.60 1cua h SER 28 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1cua h SER 28 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1cua h SER 28 CO 0.87 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 177.17 1cua h ALA 29 N 1.96 1.00 -2.09 6.23 0.00 -1.92 -3.31 119.26 121.13 1cua h ALA 29 Ca 0.03 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.39 1cua h ALA 29 Cb 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.53 1cua h ALA 29 CO -0.00 0.00 -0.94 -1.13 0.00 0.00 0.00 179.25 177.18 1cua n SER 30 N -2.66 1.88 -4.77 0.00 3.41 0.15 -5.10 113.62 106.54 1cua n SER 30 Ca 0.03 -3.11 -0.40 0.00 -0.26 0.00 0.00 58.87 55.12 1cua n SER 30 Cb 0.35 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 1cua n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cua s ALA 32 N -1.16 2.54 -0.02 0.00 0.00 -1.26 -4.96 121.76 116.89 1cua s ALA 32 Ca 0.48 0.17 0.13 0.00 0.00 0.00 0.00 51.96 52.74 1cua s ALA 32 Cb -0.37 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 19.61 1cua s ALA 32 CO 0.49 -1.38 1.44 -0.44 0.00 0.00 0.00 175.76 175.87 1cua h ASP 33 N -0.78 0.00 -3.74 0.00 3.32 -1.70 -3.42 116.42 110.10 1cua h ASP 33 Ca -0.44 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.11 1cua h ASP 33 Cb 1.22 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.45 1cua h ASP 33 CO 0.55 0.63 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.19 1cua s VAL 34 N -3.00 1.13 -0.12 -1.35 1.01 -0.92 -0.87 120.40 116.27 1cua s VAL 34 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1cua s VAL 34 Cb 0.09 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1cua s VAL 34 CO 0.76 0.34 -0.16 -0.63 0.00 0.00 0.00 175.10 175.41 1cua s ILE 35 N 0.27 1.60 -0.21 2.22 1.01 -0.62 -0.62 121.20 124.85 1cua s ILE 35 Ca -0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 1cua s ILE 35 Cb -0.12 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 1cua s ILE 35 CO 0.02 0.46 -0.01 0.12 0.00 0.00 0.00 174.94 175.53 1cua s PHE 36 N 1.11 3.01 -0.20 3.97 5.36 0.22 -1.45 117.98 130.00 1cua s PHE 36 Ca -0.03 -0.60 -0.02 0.00 -0.96 0.00 0.00 56.93 55.32 1cua s PHE 36 Cb -0.14 -2.10 -0.00 0.00 -0.34 0.00 0.00 43.02 40.44 1cua s PHE 36 CO -0.04 -0.34 -0.09 0.42 -1.46 0.00 0.00 175.22 173.71 1cua s ILE 37 N 1.17 3.04 -0.03 3.12 1.01 -0.77 -0.49 121.20 128.25 1cua s ILE 37 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1cua s ILE 37 Cb -0.14 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 1cua s ILE 37 CO 0.01 0.46 -0.13 -0.47 0.00 0.00 0.00 174.94 174.81 1cua s TYR 38 N 1.25 1.30 -0.18 3.97 5.04 -0.51 -2.30 117.35 125.92 1cua s TYR 38 Ca 0.03 -0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 54.32 1cua s TYR 38 Cb -0.14 -0.87 -0.01 0.00 0.35 0.00 0.00 41.96 41.28 1cua s TYR 38 CO -0.04 -0.09 -0.07 0.00 -1.34 0.00 0.00 175.55 174.01 1cua s ALA 39 N -0.03 2.78 1.00 3.97 0.00 -0.71 -1.31 121.76 127.46 1cua s ALA 39 Ca -0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1cua s ALA 39 Cb -0.08 -1.51 0.19 0.00 0.00 0.00 0.00 23.12 21.71 1cua s ALA 39 CO 0.01 -0.09 1.15 -0.98 0.00 0.00 0.00 175.76 175.85 1cua s ARG 40 N 0.90 0.39 0.78 0.00 1.70 -1.26 -1.82 118.95 119.65 1cua s ARG 40 Ca -0.01 0.14 -0.07 0.00 -0.47 0.00 0.00 55.73 55.31 1cua s ARG 40 Cb -0.15 -1.77 0.13 0.00 -0.57 0.00 0.00 34.95 32.59 1cua s ARG 40 CO 0.01 -2.67 1.09 0.20 -1.08 0.00 0.00 175.30 172.84 1cua s GLY 41 N -4.03 1.75 0.35 3.88 0.00 -1.19 -2.30 107.32 105.78 1cua s GLY 41 Ca 0.67 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 1cua s GLY 41 CO 0.55 -0.75 1.53 -0.56 0.00 0.00 0.00 173.10 173.86 1cua s SER 42 N -4.71 6.34 0.00 1.64 0.01 -1.26 -2.58 113.70 113.14 1cua s SER 42 Ca 0.66 3.03 0.00 0.00 1.31 0.00 0.00 55.95 60.96 1cua s SER 42 Cb -0.07 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1cua s SER 42 CO 0.47 -0.90 0.00 0.41 0.41 0.00 0.00 173.24 173.63 1cua n THR 43 N 0.99 0.00 -1.97 1.44 -1.04 0.14 -4.96 114.28 108.89 1cua n THR 43 Ca 0.03 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.73 1cua n THR 43 Cb 0.39 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1cua n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1cua s GLU 44 N -1.37 3.58 0.55 -2.82 2.02 -1.07 -5.07 118.70 114.54 1cua s GLU 44 Ca 0.00 0.86 -0.01 0.00 0.02 0.00 0.00 54.97 55.84 1cua s GLU 44 Cb 0.00 -2.08 0.03 0.00 0.10 0.00 0.00 34.13 32.18 1cua s GLU 44 CO 0.00 -0.58 0.80 0.95 0.02 0.00 0.00 175.26 176.45 1cua s THR 45 N -2.98 3.07 0.00 3.63 -4.23 -1.26 -4.86 115.64 109.01 1cua s THR 45 Ca 0.57 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1cua s THR 45 Cb -0.11 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1cua s THR 45 CO 0.47 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1cua n GLY 46 N -2.39 1.68 0.00 3.99 0.00 -1.26 -1.46 105.19 105.74 1cua n GLY 46 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1cua n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cua n ASN 47 N -1.73 1.59 -0.01 1.61 2.04 0.05 -4.70 115.26 114.12 1cua n ASN 47 Ca 0.00 -1.60 0.01 0.00 -0.44 0.00 0.00 54.58 52.55 1cua n ASN 47 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 1cua n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1cua n LEU 48 N -0.30 0.00 0.00 -4.53 4.77 -0.09 -3.45 117.00 113.40 1cua n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1cua n LEU 48 Cb 0.16 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1cua n LEU 48 CO 0.00 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1cua n GLY 49 N 2.35 0.87 0.09 -0.72 0.00 -0.54 -2.45 105.19 104.80 1cua n GLY 49 Ca -0.02 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 1cua n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cua h THR 50 N 0.00 1.58 0.02 2.61 1.35 -1.97 -3.39 112.91 113.11 1cua h THR 50 Ca 0.00 -3.04 -0.35 0.00 -0.55 0.00 0.00 66.41 62.46 1cua h THR 50 Cb 0.00 2.74 -0.06 0.00 -1.73 0.00 0.00 68.15 69.10 1cua h THR 50 CO 0.00 0.88 -2.18 0.18 -0.25 0.00 0.00 175.52 174.15 1cua n LEU 51 N -3.51 1.28 -0.19 3.87 4.77 -1.26 -4.61 117.00 117.35 1cua n LEU 51 Ca -0.03 0.11 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1cua n LEU 51 Cb 0.91 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.94 1cua n LEU 51 CO 0.49 0.62 0.81 1.23 -1.33 0.00 0.00 177.39 179.21 1cua h GLY 52 N 3.00 0.56 0.56 -0.72 0.00 -1.67 -2.65 103.07 102.14 1cua h GLY 52 Ca -0.47 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.07 1cua h GLY 52 CO 0.02 -0.20 0.58 -2.55 0.00 0.00 0.00 176.54 174.40 1cua h PRO 53 N 0.08 0.94 -0.75 4.80 0.11 -1.79 0.56 132.00 135.95 1cua h PRO 53 Ca 0.30 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 1cua h PRO 53 Cb 0.47 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1cua h PRO 53 CO -0.53 0.62 0.28 0.77 -0.21 0.00 0.00 178.00 178.94 1cua h SER 54 N 0.97 1.04 -0.20 -2.05 0.02 -1.75 -0.20 113.55 111.37 1cua h SER 54 Ca 0.45 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1cua h SER 54 Cb 0.37 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1cua h SER 54 CO -0.24 0.93 -0.13 0.40 -1.14 0.00 0.00 176.83 176.65 1cua h ILE 55 N 1.09 1.32 -0.11 3.27 2.04 -1.08 -3.07 117.51 120.97 1cua h ILE 55 Ca 0.25 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.91 1cua h ILE 55 Cb 0.23 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1cua h ILE 55 CO -0.02 0.38 -0.22 0.00 0.00 0.00 0.00 178.15 178.29 1cua h ALA 56 N 0.68 -0.19 -0.73 1.87 0.00 -0.55 -1.24 119.26 119.09 1cua h ALA 56 Ca 0.04 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1cua h ALA 56 Cb 0.65 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1cua h ALA 56 CO 0.04 -0.68 0.32 0.77 0.00 0.00 0.00 179.25 179.69 1cua h SER 57 N -0.29 0.34 0.13 0.00 0.02 -1.07 -0.79 113.55 111.90 1cua h SER 57 Ca 0.09 0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 1cua h SER 57 Cb 0.42 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1cua h SER 57 CO -0.28 0.16 -0.45 0.78 -1.14 0.00 0.00 176.83 175.90 1cua h ASN 58 N 0.49 0.41 -0.54 3.07 2.35 -1.29 -1.87 115.58 118.21 1cua h ASN 58 Ca 0.39 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 1cua h ASN 58 Cb 0.53 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1cua h ASN 58 CO -0.36 0.81 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.05 1cua h LEU 59 N 0.32 1.05 -0.93 1.61 3.38 -0.12 -2.45 115.31 118.16 1cua h LEU 59 Ca 0.02 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1cua h LEU 59 Cb 0.92 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1cua h LEU 59 CO 0.08 1.16 0.32 -0.33 0.09 0.00 0.00 178.44 179.75 1cua h GLU 60 N 0.92 1.10 -0.81 1.13 5.08 -0.96 -0.42 114.58 120.61 1cua h GLU 60 Ca 0.14 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1cua h GLU 60 Cb 0.69 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1cua h GLU 60 CO 0.05 0.87 0.40 0.77 -1.00 0.00 0.00 179.01 180.10 1cua h SER 61 N 1.08 1.05 0.05 1.42 0.02 -1.06 0.63 113.55 116.75 1cua h SER 61 Ca 0.25 -0.12 -0.26 0.00 -0.84 0.00 0.00 61.79 60.83 1cua h SER 61 Cb 0.17 -0.27 0.02 0.00 0.14 0.00 0.00 62.40 62.46 1cua h SER 61 CO -0.03 0.88 -1.03 0.00 -1.14 0.00 0.00 176.83 175.52 1cua h ALA 62 N 1.28 0.06 -0.00 3.77 0.00 -0.96 -3.38 119.26 120.03 1cua h ALA 62 Ca 0.28 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1cua h ALA 62 Cb 0.10 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cua h ALA 62 CO -0.04 0.61 -0.50 1.19 0.00 0.00 0.00 179.25 180.52 1cua n PHE 63 N -3.91 0.00 0.00 0.00 3.72 -0.22 -5.11 117.46 111.94 1cua n PHE 63 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1cua n PHE 63 Cb 0.88 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.42 1cua n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cua n GLY 64 N 1.22 -0.99 0.36 1.37 0.00 0.22 -3.47 105.19 103.90 1cua n GLY 64 Ca 0.03 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.66 1cua n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cua h LYS 65 N 0.00 0.72 0.00 1.61 1.79 -1.91 0.03 116.57 118.82 1cua h LYS 65 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1cua h LYS 65 Cb 0.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.49 1cua h LYS 65 CO 0.00 0.48 -0.29 -0.25 -1.08 0.00 0.00 179.45 178.30 1cua n ASP 66 N -4.51 0.38 0.10 0.86 8.00 -1.26 -3.83 116.55 116.29 1cua n ASP 66 Ca 0.13 0.15 0.12 0.00 0.71 0.00 0.00 54.79 55.91 1cua n ASP 66 Cb 0.32 -0.13 0.17 0.00 -0.02 0.00 0.00 41.12 41.46 1cua n ASP 66 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cua h GLY 67 N 4.88 0.00 -5.91 0.44 0.00 -1.02 -3.41 103.07 98.05 1cua h GLY 67 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1cua h GLY 67 CO 0.00 0.00 -0.73 0.54 0.00 0.00 0.00 176.54 176.35 1cua s VAL 68 N -3.21 0.06 -0.19 4.60 0.11 -1.13 -2.17 120.40 118.48 1cua s VAL 68 Ca 0.05 0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1cua s VAL 68 Cb 0.11 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.82 1cua s VAL 68 CO 0.71 0.06 0.06 0.26 -3.33 0.00 0.00 175.10 172.86 1cua s TRP 69 N 0.42 3.23 -0.26 1.54 0.51 0.21 -4.89 118.94 119.70 1cua s TRP 69 Ca -0.04 0.02 -0.09 0.00 -2.12 0.00 0.00 56.10 53.87 1cua s TRP 69 Cb -0.06 -2.09 -0.04 0.00 -0.81 0.00 0.00 33.47 30.47 1cua s TRP 69 CO -0.01 0.10 0.13 0.42 -0.51 0.00 0.00 176.95 177.07 1cua s ILE 70 N 0.50 4.84 -0.18 2.03 -1.09 -1.26 -0.61 121.20 125.43 1cua s ILE 70 Ca 0.03 0.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.45 1cua s ILE 70 Cb -0.13 -3.28 0.05 0.00 -1.58 0.00 0.00 42.46 37.52 1cua s ILE 70 CO 0.01 0.31 -0.03 -1.58 -1.23 0.00 0.00 174.94 172.41 1cua s GLN 71 N 1.56 1.29 0.49 2.79 2.00 0.36 -1.67 119.66 126.48 1cua s GLN 71 Ca 0.06 -0.57 -0.06 0.00 -2.00 0.00 0.00 55.36 52.79 1cua s GLN 71 Cb -0.15 -2.10 -0.04 0.00 0.80 0.00 0.00 33.01 31.51 1cua s GLN 71 CO 0.07 -0.50 0.81 0.20 -0.50 0.00 0.00 175.29 175.36 1cua s GLY 72 N 1.64 1.56 -0.52 2.59 0.00 -0.67 -1.42 107.32 110.49 1cua s GLY 72 Ca -0.01 -0.44 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 1cua s GLY 72 CO -0.07 -0.26 0.69 0.14 0.00 0.00 0.00 173.10 173.60 1cua s VAL 73 N -2.75 4.78 0.00 1.40 1.01 -0.43 -4.84 120.40 119.57 1cua s VAL 73 Ca 0.48 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1cua s VAL 73 Cb -0.10 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1cua s VAL 73 CO 0.44 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1cua n GLY 74 N 5.17 1.40 7.00 4.51 0.00 -1.26 -4.77 105.19 117.24 1cua n GLY 74 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cua n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cua n GLY 75 N 5.00 3.98 0.19 -0.02 0.00 -1.26 -1.44 105.19 111.63 1cua n GLY 75 Ca 0.00 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.35 1cua n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cua h ALA 76 N -0.81 1.00 -1.34 4.61 0.00 -1.95 -3.41 119.26 117.36 1cua h ALA 76 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1cua h ALA 76 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1cua h ALA 76 CO 0.00 0.00 1.12 -0.47 0.00 0.00 0.00 179.25 179.90 1cua s TYR 77 N -3.43 2.26 -1.00 0.00 5.04 -0.52 -4.53 117.35 115.17 1cua s TYR 77 Ca 0.04 -0.07 0.26 0.00 -2.44 0.00 0.00 57.07 54.86 1cua s TYR 77 Cb 0.09 -4.60 0.75 0.00 0.35 0.00 0.00 41.96 38.55 1cua s TYR 77 CO 0.47 -2.08 1.59 0.54 -1.34 0.00 0.00 175.55 174.73 1cua n ARG 78 N 9.32 0.00 -3.70 4.97 5.12 -1.26 -4.73 116.66 126.38 1cua n ARG 78 Ca 0.07 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.76 1cua n ARG 78 Cb 0.49 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.34 1cua n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cua n ALA 79 N -1.50 -1.71 -2.54 7.54 0.00 -1.26 -4.69 120.51 116.34 1cua n ALA 79 Ca 0.06 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 1cua n ALA 79 Cb 0.34 -3.26 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 1cua n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cua s THR 80 N -3.46 4.45 0.24 0.00 2.01 -1.26 -0.68 115.64 116.93 1cua s THR 80 Ca 0.27 1.76 -0.07 0.00 0.31 0.00 0.00 61.69 63.96 1cua s THR 80 Cb -0.13 -4.13 0.23 0.00 0.01 0.00 0.00 72.50 68.49 1cua s THR 80 CO 0.79 -0.01 1.67 0.25 -0.69 0.00 0.00 174.62 176.63 1cua h LEU 81 N 8.20 -0.16 -1.91 4.42 5.85 -1.93 -1.41 115.31 128.37 1cua h LEU 81 Ca -0.32 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1cua h LEU 81 Cb 1.15 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1cua h LEU 81 CO 0.88 -0.10 0.21 1.23 -0.34 0.00 0.00 178.44 180.32 1cua h GLY 82 N 0.18 0.13 2.00 3.75 0.00 -2.02 -2.07 103.07 105.04 1cua h GLY 82 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1cua h GLY 82 CO -0.56 0.03 0.00 1.22 0.00 0.00 0.00 176.54 177.24 1cua n ASP 83 N -4.47 0.13 0.24 0.19 8.00 -0.53 -1.78 116.55 118.33 1cua n ASP 83 Ca 0.04 0.55 0.09 0.00 0.71 0.00 0.00 54.79 56.17 1cua n ASP 83 Cb 0.30 -0.57 0.62 0.00 -0.02 0.00 0.00 41.12 41.46 1cua n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1cua h ASN 84 N 0.00 0.00 1.05 -2.24 2.35 -1.52 -2.19 115.58 113.03 1cua h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cua h ASN 84 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1cua h ASN 84 CO 0.00 0.14 0.00 0.00 -1.65 0.00 0.00 177.43 175.92 1cua n ALA 85 N -2.41 2.31 -1.46 -0.83 0.00 -0.74 -4.26 120.51 113.13 1cua n ALA 85 Ca -0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 1cua n ALA 85 Cb 0.22 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.26 1cua n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cua s LEU 86 N -3.19 3.31 0.19 0.00 1.43 -0.85 -4.89 118.68 114.68 1cua s LEU 86 Ca 0.13 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.06 1cua s LEU 86 Cb 0.18 -4.54 0.20 0.00 0.03 0.00 0.00 46.19 42.06 1cua s LEU 86 CO 0.53 -1.72 1.27 -2.65 0.23 0.00 0.00 176.35 174.01 1cua n PRO 87 N -2.65 -0.19 -0.10 1.29 -0.02 -1.26 -0.15 135.00 131.91 1cua n PRO 87 Ca 0.10 1.26 0.10 0.00 -2.02 0.00 0.00 63.50 62.94 1cua n PRO 87 Cb 0.52 -1.87 0.34 0.00 -0.02 0.00 0.00 33.50 32.47 1cua n PRO 87 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1cua n ARG 88 N -5.21 1.79 -0.69 -0.52 1.74 -1.26 -4.90 116.66 107.62 1cua n ARG 88 Ca 0.08 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 55.97 1cua n ARG 88 Cb 0.33 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1cua n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cua n GLY 89 N 1.15 0.68 3.84 -0.13 0.00 0.79 -4.73 105.19 106.78 1cua n GLY 89 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1cua n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cua s THR 90 N -2.19 0.00 0.56 2.61 -1.32 -1.04 -4.22 115.64 110.05 1cua s THR 90 Ca 0.00 -0.59 -0.10 0.00 -1.21 0.00 0.00 61.69 59.79 1cua s THR 90 Cb 0.00 -2.61 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1cua s THR 90 CO 0.00 0.00 0.95 -0.94 -2.21 0.00 0.00 174.62 172.42 1cua s SER 91 N -3.26 6.29 0.25 8.08 1.04 -1.26 -4.74 113.70 120.10 1cua s SER 91 Ca 0.19 1.29 -0.02 0.00 0.48 0.00 0.00 55.95 57.89 1cua s SER 91 Cb -0.02 -2.41 0.31 0.00 0.10 0.00 0.00 66.02 64.01 1cua s SER 91 CO 0.04 -0.74 1.71 0.28 0.98 0.00 0.00 173.24 175.51 1cua h SER 92 N 0.01 0.71 -0.64 7.02 0.02 -2.00 -2.56 113.55 116.11 1cua h SER 92 Ca -0.45 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 1cua h SER 92 Cb 1.19 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1cua h SER 92 CO 0.62 0.85 0.38 0.00 -1.14 0.00 0.00 176.83 177.54 1cua h ALA 93 N 1.22 0.81 -0.51 3.77 0.00 -1.93 -1.42 119.26 121.20 1cua h ALA 93 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1cua h ALA 93 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1cua h ALA 93 CO 0.04 0.30 0.19 0.00 0.00 0.00 0.00 179.25 179.77 1cua h ALA 94 N 1.19 0.66 -0.77 0.00 0.00 -1.72 -1.68 119.26 116.95 1cua h ALA 94 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cua h ALA 94 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1cua h ALA 94 CO -0.04 0.29 0.46 0.82 0.00 0.00 0.00 179.25 180.78 1cua h ILE 95 N 0.69 1.22 -0.68 0.00 2.04 -1.19 -1.47 117.51 118.12 1cua h ILE 95 Ca 0.17 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1cua h ILE 95 Cb 0.23 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 1cua h ILE 95 CO -0.01 0.23 0.43 -0.09 0.00 0.00 0.00 178.15 178.71 1cua h ARG 96 N 1.06 0.83 -0.27 2.37 2.43 -0.91 -0.19 114.38 119.70 1cua h ARG 96 Ca 0.28 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1cua h ARG 96 Cb -0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1cua h ARG 96 CO -0.05 0.55 0.15 1.49 -1.51 0.00 0.00 179.97 180.60 1cua h GLU 97 N 0.85 0.38 -0.28 0.20 4.57 -0.65 -0.95 114.58 118.70 1cua h GLU 97 Ca 0.27 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.26 1cua h GLU 97 Cb -0.01 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1cua h GLU 97 CO -0.09 0.33 -0.41 1.98 -1.18 0.00 0.00 179.01 179.64 1cua h MET 98 N 0.33 0.68 -0.86 1.92 4.05 -0.92 -2.35 114.93 117.77 1cua h MET 98 Ca 0.10 -0.36 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1cua h MET 98 Cb 0.06 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.83 1cua h MET 98 CO -0.02 0.96 0.53 -0.07 0.23 0.00 0.00 176.91 178.55 1cua h LEU 99 N 0.56 1.03 -1.34 3.39 3.38 -0.88 -1.98 115.31 119.46 1cua h LEU 99 Ca 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1cua h LEU 99 Cb 0.94 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1cua h LEU 99 CO 0.09 0.78 0.10 1.23 0.09 0.00 0.00 178.44 180.73 1cua h GLY 100 N 1.18 0.59 1.12 0.83 0.00 -0.83 -1.14 103.07 104.83 1cua h GLY 100 Ca 0.31 -0.30 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 1cua h GLY 100 CO -0.06 0.28 -0.41 1.41 0.00 0.00 0.00 176.54 177.76 1cua h LEU 101 N 0.54 0.99 -0.70 3.11 3.38 -0.86 0.10 115.31 121.88 1cua h LEU 101 Ca 0.13 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1cua h LEU 101 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1cua h LEU 101 CO -0.01 1.27 0.15 -0.26 0.09 0.00 0.00 178.44 179.68 1cua h PHE 102 N 0.73 1.20 -0.58 1.13 0.04 -1.07 -0.60 116.94 117.78 1cua h PHE 102 Ca 0.05 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 1cua h PHE 102 Cb 1.01 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 1cua h PHE 102 CO 0.07 0.98 0.18 1.96 -0.60 0.00 0.00 178.31 180.89 1cua h GLN 103 N 1.07 0.91 -0.70 1.51 4.20 -1.09 -1.21 115.11 119.80 1cua h GLN 103 Ca 0.22 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1cua h GLN 103 Cb 0.41 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1cua h GLN 103 CO 0.01 0.82 0.34 1.96 -0.67 0.00 0.00 178.83 181.29 1cua h GLN 104 N 0.83 1.01 -0.37 1.46 4.20 -0.65 -1.35 115.11 120.24 1cua h GLN 104 Ca 0.19 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1cua h GLN 104 Cb 0.30 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1cua h GLN 104 CO -0.00 0.79 0.17 0.00 -0.67 0.00 0.00 178.83 179.11 1cua h ALA 105 N 1.17 0.48 -0.79 3.87 0.00 -0.88 0.16 119.26 123.25 1cua h ALA 105 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1cua h ALA 105 Cb 0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1cua h ALA 105 CO -0.03 0.05 0.43 -0.97 0.00 0.00 0.00 179.25 178.73 1cua h ASN 106 N 0.46 0.99 0.12 0.00 -1.24 -0.96 0.07 115.58 115.00 1cua h ASN 106 Ca 0.13 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1cua h ASN 106 Cb 0.13 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1cua h ASN 106 CO -0.01 0.80 -0.06 0.74 -1.29 0.00 0.00 177.43 177.61 1cua h THR 107 N 1.11 0.74 -0.49 -3.57 2.02 -0.97 -3.04 112.91 108.71 1cua h THR 107 Ca 0.28 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1cua h THR 107 Cb 0.03 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1cua h THR 107 CO -0.04 0.22 0.32 0.50 0.37 0.00 0.00 175.52 176.89 1cua h LYS 108 N -0.95 0.65 -2.66 6.66 3.64 -0.72 -3.37 116.57 119.82 1cua h LYS 108 Ca -0.02 -0.04 -0.60 0.00 -1.27 0.00 0.00 60.65 58.72 1cua h LYS 108 Cb 0.48 -0.15 -0.40 0.00 -0.41 0.00 0.00 32.23 31.76 1cua h LYS 108 CO 0.03 0.43 -0.82 0.00 -2.27 0.00 0.00 179.45 176.83 1cua h PRO 110 N 5.58 0.00 -0.13 0.00 0.13 -1.69 -2.61 132.00 133.27 1cua h PRO 110 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1cua h PRO 110 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1cua h PRO 110 CO 0.51 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.03 1cua n ASP 111 N -3.72 2.62 -4.79 1.44 8.00 -1.26 -4.95 116.55 113.90 1cua n ASP 111 Ca -0.03 -1.86 -0.36 0.00 0.71 0.00 0.00 54.79 53.25 1cua n ASP 111 Cb 0.08 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1cua n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cua s ALA 112 N -1.85 3.15 0.02 2.24 0.00 -0.99 -4.99 121.76 119.34 1cua s ALA 112 Ca 0.33 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.65 1cua s ALA 112 Cb 0.21 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.06 1cua s ALA 112 CO 0.31 0.05 0.61 0.99 0.00 0.00 0.00 175.76 177.72 1cua s THR 113 N -1.70 4.85 0.16 0.00 2.01 -0.05 -4.93 115.64 115.99 1cua s THR 113 Ca 0.54 1.29 0.05 0.00 0.31 0.00 0.00 61.69 63.88 1cua s THR 113 Cb -0.19 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1cua s THR 113 CO 0.24 0.43 0.17 -0.76 -0.69 0.00 0.00 174.62 174.01 1cua s LEU 114 N -0.32 3.92 0.02 4.42 1.43 -0.67 -1.60 118.68 125.88 1cua s LEU 114 Ca 0.32 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1cua s LEU 114 Cb -0.19 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 1cua s LEU 114 CO 0.18 0.06 0.10 0.27 0.23 0.00 0.00 176.35 177.20 1cua s ILE 115 N -1.75 0.11 0.18 -0.59 -4.36 -0.53 -0.53 121.20 113.73 1cua s ILE 115 Ca 0.32 -0.91 -0.04 0.00 -0.26 0.00 0.00 60.65 59.77 1cua s ILE 115 Cb -0.10 -0.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.93 1cua s ILE 115 CO 0.24 -0.50 0.18 0.00 0.24 0.00 0.00 174.94 175.10 1cua s ALA 116 N -2.00 0.76 0.05 2.27 0.00 -0.76 -1.84 121.76 120.23 1cua s ALA 116 Ca -0.10 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.15 1cua s ALA 116 Cb -0.05 1.15 0.09 0.00 0.00 0.00 0.00 23.12 24.31 1cua s ALA 116 CO -0.02 -0.61 0.97 0.20 0.00 0.00 0.00 175.76 176.31 1cua s GLY 117 N -3.09 -0.35 -0.03 0.00 0.00 -0.97 -1.43 107.32 101.45 1cua s GLY 117 Ca 0.30 0.65 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 1cua s GLY 117 CO 0.08 0.19 0.83 -0.32 0.00 0.00 0.00 173.10 173.87 1cua s GLY 118 N -2.70 -0.46 -0.06 0.20 0.00 -0.64 -1.74 107.32 101.92 1cua s GLY 118 Ca 0.09 1.25 0.03 0.00 0.00 0.00 0.00 44.72 46.10 1cua s GLY 118 CO -0.04 0.61 -0.15 -0.47 0.00 0.00 0.00 173.10 173.06 1cua s TYR 119 N -2.32 1.64 0.00 1.90 5.04 -0.75 -1.35 117.35 121.51 1cua s TYR 119 Ca -0.01 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 1cua s TYR 119 Cb -0.01 -1.16 0.00 0.00 0.35 0.00 0.00 41.96 41.15 1cua s TYR 119 CO -0.03 -0.26 0.00 0.45 -1.34 0.00 0.00 175.55 174.37 1cua n SER 120 N 3.57 0.00 -0.14 4.32 2.88 0.15 -0.21 113.62 124.18 1cua n SER 120 Ca -0.21 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.42 1cua n SER 120 Cb 0.52 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.40 1cua n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1cua h GLN 121 N 0.00 0.59 -0.01 -1.46 4.15 -1.84 0.44 115.11 116.98 1cua h GLN 121 Ca 0.00 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1cua h GLN 121 Cb 0.00 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1cua h GLN 121 CO 0.00 0.39 -0.14 0.78 -1.93 0.00 0.00 178.83 177.93 1cua h GLY 122 N 0.61 0.02 1.21 2.39 0.00 -0.17 0.13 103.07 107.26 1cua h GLY 122 Ca 0.30 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.45 1cua h GLY 122 CO -0.10 0.01 -0.50 0.00 0.00 0.00 0.00 176.54 175.95 1cua h ALA 123 N 1.84 0.54 -0.39 3.60 0.00 -0.87 0.40 119.26 124.38 1cua h ALA 123 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1cua h ALA 123 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1cua h ALA 123 CO 0.02 0.68 0.05 0.00 0.00 0.00 0.00 179.25 180.00 1cua h ALA 124 N 0.77 0.52 -0.26 0.00 0.00 -1.02 -1.36 119.26 117.90 1cua h ALA 124 Ca 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1cua h ALA 124 Cb 1.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1cua h ALA 124 CO 0.11 0.24 0.12 1.25 0.00 0.00 0.00 179.25 180.98 1cua h LEU 125 N 0.50 0.18 -0.27 0.00 5.85 -0.89 0.51 115.31 121.18 1cua h LEU 125 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1cua h LEU 125 Cb 0.38 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1cua h LEU 125 CO 0.01 0.14 0.14 0.00 -0.34 0.00 0.00 178.44 178.39 1cua h ALA 126 N 1.13 0.33 -0.58 1.25 0.00 -0.80 -0.35 119.26 120.25 1cua h ALA 126 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cua h ALA 126 Cb 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1cua h ALA 126 CO -0.08 -0.25 0.30 0.00 0.00 0.00 0.00 179.25 179.23 1cua h ALA 127 N 1.14 0.74 -0.34 0.00 0.00 -0.91 -1.36 119.26 118.52 1cua h ALA 127 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1cua h ALA 127 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1cua h ALA 127 CO -0.07 0.27 0.12 0.00 0.00 0.00 0.00 179.25 179.56 1cua h ALA 128 N 1.13 0.44 0.20 0.00 0.00 -0.63 -1.12 119.26 119.28 1cua h ALA 128 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cua h ALA 128 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1cua h ALA 128 CO -0.03 0.06 -0.09 0.77 0.00 0.00 0.00 179.25 179.96 1cua h SER 129 N 0.39 -0.22 -0.74 0.00 0.02 -0.88 -1.65 113.55 110.47 1cua h SER 129 Ca 0.11 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1cua h SER 129 Cb 0.22 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1cua h SER 129 CO -0.01 -0.15 0.46 0.40 -1.14 0.00 0.00 176.83 176.40 1cua h ILE 130 N -0.28 1.20 -0.57 3.27 2.04 -1.25 0.73 117.51 122.65 1cua h ILE 130 Ca -0.03 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1cua h ILE 130 Cb 0.21 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1cua h ILE 130 CO 0.04 0.20 0.22 -0.08 0.00 0.00 0.00 178.15 178.54 1cua h GLU 131 N 1.02 0.87 0.00 2.37 4.81 -0.90 -2.89 114.58 119.86 1cua h GLU 131 Ca 0.27 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1cua h GLU 131 Cb -0.07 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1cua h GLU 131 CO -0.05 0.75 -0.03 -0.25 -0.73 0.00 0.00 179.01 178.70 1cua n ASP 132 N -4.47 0.58 -4.73 1.04 8.00 -0.65 -4.93 116.55 111.39 1cua n ASP 132 Ca 0.03 0.53 -0.38 0.00 0.71 0.00 0.00 54.79 55.68 1cua n ASP 132 Cb 0.17 -0.66 0.05 0.00 -0.02 0.00 0.00 41.12 40.67 1cua n ASP 132 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1cua n LEU 133 N -2.03 5.70 -4.72 0.64 4.77 0.16 -4.93 117.00 116.59 1cua n LEU 133 Ca 0.06 0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 56.54 1cua n LEU 133 Cb 0.40 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 1cua n LEU 133 CO 0.30 -0.77 1.33 -0.62 -1.33 0.00 0.00 177.39 176.30 1cua s ASP 134 N -1.10 6.44 0.41 -1.43 2.15 -1.26 -4.78 116.67 117.09 1cua s ASP 134 Ca 0.76 2.80 0.15 0.00 0.43 0.00 0.00 52.55 56.69 1cua s ASP 134 Cb -0.40 -2.60 1.01 0.00 -0.30 0.00 0.00 42.92 40.62 1cua s ASP 134 CO 0.46 -0.93 1.88 0.77 -0.17 0.00 0.00 175.17 177.18 1cua h SER 135 N 6.70 0.46 -0.16 -0.34 4.64 -1.95 -0.18 113.55 122.72 1cua h SER 135 Ca -0.43 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1cua h SER 135 Cb 1.20 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1cua h SER 135 CO 0.94 0.22 0.01 0.00 -0.87 0.00 0.00 176.83 177.13 1cua h ALA 136 N 1.62 1.55 0.10 5.18 0.00 -1.99 -0.72 119.26 125.00 1cua h ALA 136 Ca 0.43 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1cua h ALA 136 Cb 0.95 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cua h ALA 136 CO -0.17 0.33 -0.84 0.82 0.00 0.00 0.00 179.25 179.39 1cua h ILE 137 N 0.37 1.41 -0.85 0.00 2.04 -1.46 -3.34 117.51 115.68 1cua h ILE 137 Ca 0.09 -2.45 0.12 0.00 1.00 0.00 0.00 64.86 63.62 1cua h ILE 137 Cb 0.23 3.06 -0.08 0.00 -0.74 0.00 0.00 36.82 39.28 1cua h ILE 137 CO 0.00 0.67 0.47 -0.09 0.00 0.00 0.00 178.15 179.20 1cua h ARG 138 N -0.51 0.70 0.00 2.37 2.43 -1.00 0.13 114.38 118.50 1cua h ARG 138 Ca -0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1cua h ARG 138 Cb 1.54 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1cua h ARG 138 CO 0.08 0.46 0.00 -0.25 -1.51 0.00 0.00 179.97 178.75 1cua n ASP 139 N -4.80 0.24 0.01 -3.80 8.00 -0.29 -1.02 116.55 114.89 1cua n ASP 139 Ca 0.16 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.37 1cua n ASP 139 Cb 0.37 -0.63 0.28 0.00 -0.02 0.00 0.00 41.12 41.12 1cua n ASP 139 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cua n LYS 140 N -1.79 0.04 -2.69 -1.24 5.02 0.45 -4.74 118.16 113.21 1cua n LYS 140 Ca 0.01 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1cua n LYS 140 Cb 0.08 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1cua n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1cua s ILE 141 N -3.02 4.05 0.31 -0.18 1.01 -0.19 -1.68 121.20 121.51 1cua s ILE 141 Ca 0.11 0.29 0.27 0.00 0.00 0.00 0.00 60.65 61.32 1cua s ILE 141 Cb 0.17 -4.75 0.28 0.00 0.01 0.00 0.00 42.46 38.17 1cua s ILE 141 CO 0.68 -1.52 1.99 0.00 0.00 0.00 0.00 174.94 176.10 1cua h ALA 142 N 9.69 1.17 -1.64 9.38 0.00 -1.10 -3.46 119.26 133.29 1cua h ALA 142 Ca -0.27 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1cua h ALA 142 Cb 1.06 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.60 1cua h ALA 142 CO 1.20 0.18 0.46 0.20 0.00 0.00 0.00 179.25 181.30 1cua s GLY 143 N -4.22 -0.29 -0.02 0.00 0.00 -1.26 -4.77 107.32 96.75 1cua s GLY 143 Ca -0.02 2.07 0.01 0.00 0.00 0.00 0.00 44.72 46.79 1cua s GLY 143 CO 0.59 1.22 -0.04 -1.59 0.00 0.00 0.00 173.10 173.28 1cua s THR 144 N -0.78 0.41 -0.09 0.90 2.01 0.53 -1.84 115.64 116.79 1cua s THR 144 Ca -0.02 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1cua s THR 144 Cb -0.02 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 1cua s THR 144 CO 0.01 0.16 -0.16 0.68 -0.69 0.00 0.00 174.62 174.62 1cua s VAL 145 N 0.42 2.83 -0.10 3.82 -7.23 -0.52 -1.45 120.40 118.18 1cua s VAL 145 Ca -0.05 -0.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1cua s VAL 145 Cb -0.08 -2.13 0.01 0.00 0.56 0.00 0.00 36.38 34.74 1cua s VAL 145 CO -0.00 0.56 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.43 1cua s LEU 146 N -0.09 1.72 -0.08 1.32 1.43 -0.43 -1.62 118.68 120.92 1cua s LEU 146 Ca -0.03 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1cua s LEU 146 Cb -0.14 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1cua s LEU 146 CO 0.04 0.02 -0.10 -0.36 0.23 0.00 0.00 176.35 176.19 1cua s PHE 147 N 0.91 2.86 -1.42 0.29 0.40 -0.46 -0.42 117.98 120.14 1cua s PHE 147 Ca -0.09 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.07 1cua s PHE 147 Cb -0.15 -1.72 0.03 0.00 0.51 0.00 0.00 43.02 41.68 1cua s PHE 147 CO -0.00 0.19 0.65 0.41 0.70 0.00 0.00 175.22 177.17 1cua n GLY 148 N 2.52 -0.31 3.56 4.36 0.00 -0.33 -0.67 105.19 114.31 1cua n GLY 148 Ca -0.18 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1cua n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cua s TYR 149 N -3.68 1.15 0.65 1.61 5.04 -1.26 -3.26 117.35 117.60 1cua s TYR 149 Ca 0.19 1.34 0.40 0.00 -2.44 0.00 0.00 57.07 56.56 1cua s TYR 149 Cb -0.10 -3.68 2.24 0.00 0.35 0.00 0.00 41.96 40.77 1cua s TYR 149 CO 0.85 -2.74 2.32 1.79 -1.34 0.00 0.00 175.55 176.43 1cua h THR 150 N 7.53 0.14 -0.32 4.34 1.35 -1.76 -0.70 112.91 123.50 1cua h THR 150 Ca -0.27 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 1cua h THR 150 Cb 1.25 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1cua h THR 150 CO 1.13 0.00 0.01 0.29 -0.25 0.00 0.00 175.52 176.70 1cua n LYS 151 N -3.27 3.08 -0.08 4.72 4.76 -1.26 -4.75 118.16 121.36 1cua n LYS 151 Ca -0.03 -2.91 -0.07 0.00 -2.87 0.00 0.00 58.31 52.43 1cua n LYS 151 Cb 0.10 -1.91 -0.01 0.00 -1.84 0.00 0.00 35.03 31.37 1cua n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1cua h ASN 152 N 2.00 -0.28 -0.01 4.39 -0.73 -1.35 0.81 115.58 120.41 1cua h ASN 152 Ca 0.03 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1cua h ASN 152 Cb 1.56 0.18 -0.00 0.00 0.27 0.00 0.00 38.32 40.33 1cua h ASN 152 CO 0.29 -0.10 -0.01 0.25 -0.37 0.00 0.00 177.43 177.49 1cua h LEU 153 N -0.01 0.03 -0.99 0.34 5.85 -1.83 0.34 115.31 119.04 1cua h LEU 153 Ca 0.14 -0.46 0.09 0.00 0.84 0.00 0.00 57.88 58.50 1cua h LEU 153 Cb 0.22 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 1cua h LEU 153 CO -0.30 0.48 0.62 1.56 -0.34 0.00 0.00 178.44 180.46 1cua h GLN 154 N -0.42 1.03 -0.43 1.25 7.50 -1.87 -1.44 115.11 120.73 1cua h GLN 154 Ca 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 1cua h GLN 154 Cb 0.47 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.77 1cua h GLN 154 CO 0.00 0.68 0.00 0.09 -1.50 0.00 0.00 178.83 178.10 1cua n ASN 155 N -4.58 3.15 -3.53 1.46 3.02 0.27 -4.95 115.26 110.09 1cua n ASN 155 Ca 0.17 -1.95 -0.26 0.00 -0.03 0.00 0.00 54.58 52.51 1cua n ASN 155 Cb 0.27 -0.28 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1cua n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cua n ARG 156 N 1.26 -5.82 -1.27 3.52 5.12 -0.31 -1.81 116.66 117.35 1cua n ARG 156 Ca 0.19 0.73 -0.09 0.00 -1.93 0.00 0.00 57.85 56.74 1cua n ARG 156 Cb 0.54 -5.64 -0.04 0.00 -1.16 0.00 0.00 32.46 26.16 1cua n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cua n GLY 157 N -1.68 1.11 3.56 -0.13 0.00 0.10 -5.01 105.19 103.14 1cua n GLY 157 Ca -0.01 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1cua n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cua s ARG 158 N -2.76 1.85 -0.20 1.61 1.81 -0.75 -4.91 118.95 115.60 1cua s ARG 158 Ca 0.00 -2.04 -0.03 0.00 -1.72 0.00 0.00 55.73 51.94 1cua s ARG 158 Cb 0.00 -1.35 -0.01 0.00 -0.45 0.00 0.00 34.95 33.14 1cua s ARG 158 CO 0.00 -0.11 -0.06 0.42 -0.68 0.00 0.00 175.30 174.87 1cua s ILE 159 N -2.93 3.31 0.23 1.52 1.01 -1.26 -4.81 121.20 118.26 1cua s ILE 159 Ca 0.35 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 1cua s ILE 159 Cb 0.09 -2.48 -0.14 0.00 0.01 0.00 0.00 42.46 39.95 1cua s ILE 159 CO 0.17 0.45 1.35 -2.65 0.00 0.00 0.00 174.94 174.26 1cua n PRO 160 N 4.46 1.84 -1.19 2.79 -0.02 -1.26 -1.96 135.00 139.66 1cua n PRO 160 Ca -0.18 0.65 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 1cua n PRO 160 Cb 0.51 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1cua n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cua n ASN 161 N 2.09 -4.49 -4.02 2.55 3.02 -1.26 -4.21 115.26 108.93 1cua n ASN 161 Ca 0.12 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.60 1cua n ASN 161 Cb 0.30 -2.56 -0.16 0.00 -0.61 0.00 0.00 39.78 36.75 1cua n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1cua s TYR 162 N -2.00 1.23 0.37 3.10 5.04 -0.83 -5.02 117.35 119.25 1cua s TYR 162 Ca 0.00 -0.38 -0.28 0.00 -2.44 0.00 0.00 57.07 53.97 1cua s TYR 162 Cb 0.00 -0.89 -0.11 0.00 0.35 0.00 0.00 41.96 41.30 1cua s TYR 162 CO 0.00 -0.18 1.39 -0.35 -1.34 0.00 0.00 175.55 175.07 1cua n PRO 163 N 3.55 2.38 0.04 4.97 -0.04 -1.26 -4.52 135.00 140.13 1cua n PRO 163 Ca -0.21 0.84 0.01 0.00 -0.04 0.00 0.00 63.50 64.10 1cua n PRO 163 Cb 0.53 -2.51 0.35 0.00 -0.04 0.00 0.00 33.50 31.82 1cua n PRO 163 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cua h ALA 164 N 2.69 1.47 0.00 0.55 0.00 -1.93 -2.45 119.26 119.59 1cua h ALA 164 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1cua h ALA 164 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cua h ALA 164 CO 0.63 0.38 0.00 0.38 0.00 0.00 0.00 179.25 180.64 1cua h ASP 165 N 0.41 0.00 -0.47 0.00 2.03 -2.01 -2.08 116.42 114.30 1cua h ASP 165 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1cua h ASP 165 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 1cua h ASP 165 CO 0.01 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.76 1cua n ARG 166 N -3.06 2.57 -4.89 4.15 1.74 -0.93 -4.93 116.66 111.31 1cua n ARG 166 Ca -0.00 -2.39 -0.33 0.00 -0.77 0.00 0.00 57.85 54.36 1cua n ARG 166 Cb 0.24 -1.53 -0.13 0.00 -1.02 0.00 0.00 32.46 30.02 1cua n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cua s THR 167 N -1.39 3.03 -0.07 0.55 2.01 -0.78 -0.35 115.64 118.64 1cua s THR 167 Ca 0.41 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1cua s THR 167 Cb 0.24 -2.19 0.03 0.00 0.01 0.00 0.00 72.50 70.58 1cua s THR 167 CO 0.32 0.58 -0.02 -0.75 -0.69 0.00 0.00 174.62 174.07 1cua s LYS 168 N -0.61 0.72 -0.14 4.92 2.20 -0.53 -4.96 119.74 121.35 1cua s LYS 168 Ca 0.09 0.03 -0.02 0.00 -0.36 0.00 0.00 55.97 55.71 1cua s LYS 168 Cb -0.11 -0.97 -0.02 0.00 -1.51 0.00 0.00 37.83 35.22 1cua s LYS 168 CO 0.01 -0.24 -0.08 0.08 -0.36 0.00 0.00 175.35 174.76 1cua s VAL 169 N 1.66 3.54 -0.36 4.02 1.01 -1.26 -1.32 120.40 127.69 1cua s VAL 169 Ca 0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1cua s VAL 169 Cb -0.13 -2.52 0.07 0.00 0.00 0.00 0.00 36.38 33.80 1cua s VAL 169 CO -0.04 0.51 0.14 -0.36 0.00 0.00 0.00 175.10 175.35 1cua s PHE 170 N 0.25 3.36 -0.21 5.22 0.08 0.44 -4.97 117.98 122.15 1cua s PHE 170 Ca -0.05 -1.81 -0.02 0.00 0.12 0.00 0.00 56.93 55.16 1cua s PHE 170 Cb -0.15 -2.62 0.06 0.00 -0.57 0.00 0.00 43.02 39.75 1cua s PHE 170 CO 0.04 -0.83 0.03 0.00 -0.10 0.00 0.00 175.22 174.36 1cua s LYS 172 N 1.79 3.95 0.19 0.00 1.02 -1.26 -4.99 119.74 120.44 1cua s LYS 172 Ca -0.01 1.33 -0.31 0.00 0.02 0.00 0.00 55.97 56.99 1cua s LYS 172 Cb -0.17 -2.18 -0.11 0.00 -0.52 0.00 0.00 37.83 34.85 1cua s LYS 172 CO -0.09 -0.30 1.61 0.99 -0.92 0.00 0.00 175.35 176.64 1cua s THR 173 N -1.98 2.39 0.00 2.17 2.01 -1.26 -1.16 115.64 117.81 1cua s THR 173 Ca 0.65 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1cua s THR 173 Cb -0.15 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1cua s THR 173 CO 0.19 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1cua n GLY 174 N 3.59 1.19 3.52 4.40 0.00 -1.26 -4.86 105.19 111.78 1cua n GLY 174 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1cua n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cua s ASP 175 N -2.53 6.17 0.59 1.61 -1.08 -0.31 -4.62 116.67 116.49 1cua s ASP 175 Ca 0.00 -0.62 0.28 0.00 -0.52 0.00 0.00 52.55 51.69 1cua s ASP 175 Cb 0.00 -2.52 1.66 0.00 -1.46 0.00 0.00 42.92 40.59 1cua s ASP 175 CO 0.00 -1.72 2.12 -0.07 0.52 0.00 0.00 175.17 176.01 1cua h LEU 176 N 12.57 0.00 -1.54 -1.34 3.38 -1.87 -1.71 115.31 124.79 1cua h LEU 176 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1cua h LEU 176 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1cua h LEU 176 CO 1.26 0.00 -0.14 -0.37 0.09 0.00 0.00 178.44 179.28 1cua h VAL 177 N 0.00 0.42 -0.00 1.22 -1.51 -1.70 -1.58 116.25 113.09 1cua h VAL 177 Ca 0.08 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1cua h VAL 177 Cb 0.44 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1cua h VAL 177 CO -0.00 0.13 -0.04 0.00 -1.23 0.00 0.00 177.57 176.43 1cua n THR 179 N -1.34 2.26 -0.79 0.00 -1.04 -0.67 -3.46 114.28 109.23 1cua n THR 179 Ca 0.11 -3.02 0.00 0.00 -2.04 0.00 0.00 64.05 59.09 1cua n THR 179 Cb 0.29 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 1cua n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cua n GLY 180 N -1.14 0.69 3.82 3.41 0.00 -1.22 -4.98 105.19 105.77 1cua n GLY 180 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1cua n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cua s SER 181 N -2.28 4.79 -0.10 1.61 0.15 -0.73 -5.03 113.70 112.10 1cua s SER 181 Ca 0.00 -0.88 0.14 0.00 0.70 0.00 0.00 55.95 55.92 1cua s SER 181 Cb 0.00 -0.54 0.27 0.00 -1.71 0.00 0.00 66.02 64.04 1cua s SER 181 CO 0.00 -0.60 1.16 0.18 1.20 0.00 0.00 173.24 175.18 1cua n LEU 182 N -1.42 2.53 -4.75 3.45 4.77 -1.26 -3.82 117.00 116.50 1cua n LEU 182 Ca 0.02 -2.81 -0.40 0.00 -0.03 0.00 0.00 56.01 52.79 1cua n LEU 182 Cb 0.63 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1cua n LEU 182 CO 0.44 0.66 0.47 -0.63 -1.33 0.00 0.00 177.39 177.00 1cua s ILE 183 N -2.40 4.62 -0.43 -0.08 -1.09 -1.26 -4.99 121.20 115.58 1cua s ILE 183 Ca 0.27 1.65 -0.17 0.00 -2.23 0.00 0.00 60.65 60.17 1cua s ILE 183 Cb 0.22 -4.12 0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1cua s ILE 183 CO 0.04 0.41 0.41 -0.69 -1.23 0.00 0.00 174.94 173.88 1cua s VAL 184 N -0.38 5.13 0.39 2.92 1.01 -1.26 -4.05 120.40 124.16 1cua s VAL 184 Ca 0.38 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1cua s VAL 184 Cb -0.21 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1cua s VAL 184 CO 0.24 -0.44 0.35 0.00 0.00 0.00 0.00 175.10 175.24 1cua s ALA 185 N 2.01 3.98 0.29 5.51 0.00 -1.26 -5.03 121.76 127.26 1cua s ALA 185 Ca 0.10 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.27 1cua s ALA 185 Cb -0.18 -1.06 0.63 0.00 0.00 0.00 0.00 23.12 22.51 1cua s ALA 185 CO 0.12 -0.15 1.80 0.00 0.00 0.00 0.00 175.76 177.53 1cua h ALA 186 N 1.11 1.54 0.00 0.00 0.00 -1.97 -1.14 119.26 118.79 1cua h ALA 186 Ca -0.42 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1cua h ALA 186 Cb 1.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cua h ALA 186 CO 0.58 0.05 -0.00 -1.35 0.00 0.00 0.00 179.25 178.52 1cua h PRO 187 N 0.83 0.00 0.00 0.00 0.11 -1.89 -1.39 132.00 129.66 1cua h PRO 187 Ca 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.63 1cua h PRO 187 Cb 0.70 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1cua h PRO 187 CO -0.33 0.00 -0.04 1.25 -0.21 0.00 0.00 178.00 178.66 1cua h HIS 188 N 0.00 0.00 -0.52 0.65 2.76 -1.51 -2.43 115.15 114.10 1cua h HIS 188 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1cua h HIS 188 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1cua h HIS 188 CO 0.00 0.04 0.00 1.28 -1.30 0.00 0.00 177.93 177.95 1cua n LEU 189 N -3.20 4.74 -1.27 0.26 4.32 -0.52 -4.57 117.00 116.77 1cua n LEU 189 Ca -0.00 -2.69 -0.05 0.00 -0.02 0.00 0.00 56.01 53.24 1cua n LEU 189 Cb 0.27 -0.58 0.20 0.00 -1.62 0.00 0.00 43.42 41.70 1cua n LEU 189 CO 0.27 0.72 0.76 0.00 -1.22 0.00 0.00 177.39 177.93 1cua n ALA 190 N 0.56 4.33 1.41 -1.18 0.00 -0.92 -4.66 120.51 120.06 1cua n ALA 190 Ca 0.24 -3.02 0.12 0.00 0.00 0.00 0.00 53.44 50.78 1cua n ALA 190 Cb 0.95 -0.82 0.47 0.00 0.00 0.00 0.00 19.45 20.05 1cua n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cua n TYR 191 N -1.05 0.10 -0.14 0.00 4.01 -1.26 -4.46 117.16 114.35 1cua n TYR 191 Ca 0.35 -0.05 -0.09 0.00 -0.16 0.00 0.00 57.90 57.95 1cua n TYR 191 Cb 1.10 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.10 1cua n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1cua h GLY 192 N 4.96 -0.45 0.91 2.72 0.00 -1.97 -1.11 103.07 108.14 1cua h GLY 192 Ca 0.00 0.52 0.06 0.00 0.00 0.00 0.00 47.33 47.91 1cua h GLY 192 CO 0.00 -0.19 0.56 -2.55 0.00 0.00 0.00 176.54 174.36 1cua h PRO 193 N -0.29 0.93 -0.41 4.80 0.11 -1.99 -2.00 132.00 133.15 1cua h PRO 193 Ca 0.16 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 1cua h PRO 193 Cb 0.57 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1cua h PRO 193 CO -0.59 0.62 0.08 -0.44 -0.21 0.00 0.00 178.00 177.45 1cua h ASP 194 N 0.96 0.64 0.33 -2.05 3.32 -1.55 -2.19 116.42 115.88 1cua h ASP 194 Ca 0.37 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1cua h ASP 194 Cb 0.20 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1cua h ASP 194 CO -0.13 0.73 -0.23 0.00 -1.72 0.00 0.00 179.24 177.89 1cua h ALA 195 N 0.94 1.44 0.00 3.45 0.00 -0.72 -0.97 119.26 123.40 1cua h ALA 195 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1cua h ALA 195 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1cua h ALA 195 CO 0.01 0.29 -0.45 0.00 0.00 0.00 0.00 179.25 179.09 1cua h ARG 196 N 0.00 0.00 0.00 0.00 3.08 -1.14 -3.32 114.38 113.00 1cua h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cua h ARG 196 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1cua h ARG 196 CO 0.03 0.22 0.00 0.41 -1.07 0.00 0.00 179.97 179.56 1cua n GLY 197 N 1.19 0.10 0.33 0.04 0.00 -0.85 -4.87 105.19 101.14 1cua n GLY 197 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1cua n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cua h PRO 198 N 0.00 0.56 0.81 1.61 0.13 -1.75 -0.95 132.00 132.40 1cua h PRO 198 Ca 0.00 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 1cua h PRO 198 Cb 0.00 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.01 1cua h PRO 198 CO 0.00 0.37 -0.39 0.00 -0.23 0.00 0.00 178.00 177.75 1cua h ALA 199 N 1.69 -1.09 -0.10 -0.56 0.00 -1.47 -0.16 119.26 117.58 1cua h ALA 199 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1cua h ALA 199 Cb 0.18 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1cua h ALA 199 CO -0.06 -1.05 -0.13 -1.00 0.00 0.00 0.00 179.25 177.02 1cua h PRO 200 N -1.21 0.16 -0.69 0.00 0.13 -1.74 -1.49 132.00 127.15 1cua h PRO 200 Ca -0.11 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1cua h PRO 200 Cb 0.84 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 1cua h PRO 200 CO 0.18 0.29 0.46 1.49 -0.23 0.00 0.00 178.00 180.19 1cua h GLU 201 N 0.15 0.91 0.07 0.86 4.81 -1.00 -0.29 114.58 120.08 1cua h GLU 201 Ca 0.03 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1cua h GLU 201 Cb 0.32 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1cua h GLU 201 CO 0.02 0.60 -0.03 0.35 -0.73 0.00 0.00 179.01 179.22 1cua h PHE 202 N 0.93 -0.09 -0.49 0.92 3.57 -0.30 -1.92 116.94 119.57 1cua h PHE 202 Ca 0.25 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1cua h PHE 202 Cb -0.11 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1cua h PHE 202 CO -0.03 0.08 0.22 -0.07 -2.23 0.00 0.00 178.31 176.29 1cua h LEU 203 N -0.24 0.29 -0.57 0.59 3.38 -1.02 -1.11 115.31 116.62 1cua h LEU 203 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1cua h LEU 203 Cb 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1cua h LEU 203 CO 0.02 0.20 0.27 0.40 0.09 0.00 0.00 178.44 179.42 1cua h ILE 204 N 0.43 1.21 -0.60 1.22 2.04 -1.03 -1.48 117.51 119.30 1cua h ILE 204 Ca 0.22 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1cua h ILE 204 Cb 0.17 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1cua h ILE 204 CO -0.18 0.24 0.33 -0.08 0.00 0.00 0.00 178.15 178.46 1cua h GLU 205 N 0.78 0.84 -0.37 2.37 4.81 -0.98 -0.92 114.58 121.11 1cua h GLU 205 Ca 0.20 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1cua h GLU 205 Cb 0.12 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1cua h GLU 205 CO -0.02 0.63 -0.21 0.87 -0.73 0.00 0.00 179.01 179.55 1cua h LYS 206 N 0.81 0.72 -0.15 1.92 1.79 -0.95 -0.34 116.57 120.37 1cua h LYS 206 Ca 0.21 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1cua h LYS 206 Cb 0.04 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1cua h LYS 206 CO -0.03 0.87 -0.03 0.28 -1.08 0.00 0.00 179.45 179.46 1cua h VAL 207 N 0.63 1.28 0.00 0.50 2.07 -1.01 -3.05 116.25 116.67 1cua h VAL 207 Ca 0.09 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 1cua h VAL 207 Cb 0.70 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1cua h VAL 207 CO 0.05 0.28 -0.27 0.03 0.02 0.00 0.00 177.57 177.69 1cua h ARG 208 N -0.00 0.00 -0.95 1.57 3.08 -1.03 0.13 114.38 117.18 1cua h ARG 208 Ca 0.04 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1cua h ARG 208 Cb 0.45 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 1cua h ARG 208 CO 0.01 0.27 0.63 0.00 -1.07 0.00 0.00 179.97 179.81 1cua h ALA 209 N 1.73 1.35 0.01 0.04 0.00 -0.95 0.48 119.26 121.92 1cua h ALA 209 Ca -0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 1cua h ALA 209 Cb 0.51 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1cua h ALA 209 CO 0.03 0.59 -2.04 1.33 0.00 0.00 0.00 179.25 179.17 1cua n VAL 210 N -4.41 1.54 0.50 0.00 0.24 -0.86 -4.39 118.33 110.95 1cua n VAL 210 Ca 0.12 -0.79 0.11 0.00 -2.04 0.00 0.00 64.34 61.74 1cua n VAL 210 Cb 0.05 -0.93 0.03 0.00 -1.47 0.00 0.00 33.84 31.52 1cua n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1cua n ARG 211 N -3.00 0.34 0.00 7.34 1.74 0.39 -5.06 116.66 118.41 1cua n ARG 211 Ca -0.26 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 1cua n ARG 211 Cb 1.09 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 1cua n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cua n GLY 212 N 1.34 -0.47 0.00 -0.13 0.00 0.17 -5.02 105.19 101.08 1cua n GLY 212 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1cua n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06