#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cuj n THR 18 N 0.00 0.00 -4.92 5.15 -2.24 -1.26 -4.67 114.28 106.35 1cuj n THR 18 Ca 0.00 -0.05 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 1cuj n THR 18 Cb 0.00 -0.08 -0.17 0.00 -2.10 0.00 0.00 70.33 67.99 1cuj n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cuj s THR 19 N -2.61 2.02 -0.05 4.28 2.01 -1.26 -0.63 115.64 119.40 1cuj s THR 19 Ca 0.24 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 1cuj s THR 19 Cb 0.20 -1.77 0.04 0.00 0.01 0.00 0.00 72.50 70.97 1cuj s THR 19 CO 0.51 0.55 0.10 -0.13 -0.69 0.00 0.00 174.62 174.96 1cuj s ARG 20 N 0.60 0.01 -0.40 4.92 1.81 -1.26 -4.97 118.95 119.65 1cuj s ARG 20 Ca -0.13 0.35 0.10 0.00 -1.72 0.00 0.00 55.73 54.33 1cuj s ARG 20 Cb -0.17 -0.28 0.43 0.00 -0.45 0.00 0.00 34.95 34.49 1cuj s ARG 20 CO 0.03 -0.22 1.04 -0.25 -0.68 0.00 0.00 175.30 175.22 1cuj n ASP 21 N 4.60 3.48 0.06 0.23 8.00 -1.25 -1.63 116.55 130.05 1cuj n ASP 21 Ca -0.19 -3.35 -0.02 0.00 0.71 0.00 0.00 54.79 51.94 1cuj n ASP 21 Cb 0.50 -0.49 0.24 0.00 -0.02 0.00 0.00 41.12 41.35 1cuj n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1cuj h ASP 22 N 2.75 0.35 -0.12 -2.24 3.32 -1.62 -0.62 116.42 118.24 1cuj h ASP 22 Ca 0.15 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1cuj h ASP 22 Cb 1.00 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1cuj h ASP 22 CO 0.72 0.65 -0.16 0.25 -1.72 0.00 0.00 179.24 178.97 1cuj h LEU 23 N 0.30 0.34 -0.93 1.55 5.85 -1.90 0.18 115.31 120.70 1cuj h LEU 23 Ca 0.04 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1cuj h LEU 23 Cb 0.69 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1cuj h LEU 23 CO 0.05 0.79 0.21 0.40 -0.34 0.00 0.00 178.44 179.55 1cuj h ILE 24 N -0.10 1.24 0.00 4.05 2.04 -1.89 -2.86 117.51 119.99 1cuj h ILE 24 Ca 0.01 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.05 1cuj h ILE 24 Cb 0.72 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1cuj h ILE 24 CO 0.04 0.32 -0.53 0.78 0.00 0.00 0.00 178.15 178.76 1cuj h ASN 25 N 0.95 0.00 -4.06 1.72 2.35 -1.12 -3.48 115.58 111.95 1cuj h ASN 25 Ca 0.21 -0.02 -0.51 0.00 -0.55 0.00 0.00 56.30 55.43 1cuj h ASN 25 Cb 0.27 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.72 1cuj h ASN 25 CO -0.01 0.01 0.47 -0.83 -1.65 0.00 0.00 177.43 175.42 1cuj s GLY 26 N -4.21 2.73 -0.12 2.83 0.00 0.63 -4.99 107.32 104.19 1cuj s GLY 26 Ca 0.04 0.95 -0.25 0.00 0.00 0.00 0.00 44.72 45.46 1cuj s GLY 26 CO 0.73 1.36 0.78 -1.31 0.00 0.00 0.00 173.10 174.66 1cuj s ASN 27 N -1.52 6.99 0.43 1.64 -0.87 -1.26 -4.94 114.94 115.41 1cuj s ASN 27 Ca 0.71 1.20 0.13 0.00 -1.57 0.00 0.00 52.86 53.33 1cuj s ASN 27 Cb -0.28 -2.44 1.00 0.00 -0.02 0.00 0.00 41.25 39.51 1cuj s ASN 27 CO 0.33 -0.27 1.98 -1.28 -2.57 0.00 0.00 177.10 175.29 1cuj h SER 28 N 7.07 0.39 0.93 -1.22 0.87 -1.94 -0.47 113.55 119.18 1cuj h SER 28 Ca -0.35 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1cuj h SER 28 Cb 1.17 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1cuj h SER 28 CO 0.79 0.24 0.00 0.00 -0.53 0.00 0.00 176.83 177.33 1cuj n ALA 29 N -2.51 1.82 -3.07 6.23 0.00 -1.26 -3.51 120.51 118.21 1cuj n ALA 29 Ca 0.10 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1cuj n ALA 29 Cb 0.36 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1cuj n ALA 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cuj n SER 30 N -2.25 2.24 -4.76 0.00 3.41 -0.20 -5.10 113.62 106.96 1cuj n SER 30 Ca 0.03 -3.26 -0.41 0.00 -0.26 0.00 0.00 58.87 54.97 1cuj n SER 30 Cb 0.28 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1cuj n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cuj s ALA 32 N -1.13 2.24 -0.02 0.00 0.00 -1.26 -4.97 121.76 116.62 1cuj s ALA 32 Ca 0.55 0.28 0.13 0.00 0.00 0.00 0.00 51.96 52.92 1cuj s ALA 32 Cb -0.48 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.45 1cuj s ALA 32 CO 0.63 -1.78 1.45 -0.44 0.00 0.00 0.00 175.76 175.62 1cuj h ASP 33 N -1.12 0.00 -3.73 0.00 3.32 -1.61 -3.43 116.42 109.85 1cuj h ASP 33 Ca -0.44 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.14 1cuj h ASP 33 Cb 1.23 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.47 1cuj h ASP 33 CO 0.51 0.62 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.16 1cuj s VAL 34 N -3.00 0.99 -0.11 -1.35 1.01 -0.86 -1.15 120.40 115.91 1cuj s VAL 34 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1cuj s VAL 34 Cb 0.09 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1cuj s VAL 34 CO 0.76 0.30 -0.14 -0.63 0.00 0.00 0.00 175.10 175.39 1cuj s ILE 35 N 0.30 1.45 -0.20 2.22 1.01 -0.62 -1.04 121.20 124.33 1cuj s ILE 35 Ca -0.06 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1cuj s ILE 35 Cb -0.11 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1cuj s ILE 35 CO 0.01 0.43 0.01 0.12 0.00 0.00 0.00 174.94 175.52 1cuj s PHE 36 N 1.13 3.07 -0.16 3.97 5.36 -0.03 -1.59 117.98 129.74 1cuj s PHE 36 Ca -0.04 -0.36 0.01 0.00 -0.96 0.00 0.00 56.93 55.58 1cuj s PHE 36 Cb -0.14 -2.09 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1cuj s PHE 36 CO -0.04 -0.18 -0.18 0.42 -1.46 0.00 0.00 175.22 173.79 1cuj s ILE 37 N 0.93 2.38 -0.03 3.12 1.01 -0.80 -0.70 121.20 127.10 1cuj s ILE 37 Ca 0.02 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.84 1cuj s ILE 37 Cb -0.14 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1cuj s ILE 37 CO 0.02 0.53 -0.11 -0.47 0.00 0.00 0.00 174.94 174.91 1cuj s TYR 38 N 0.96 1.13 -0.19 3.97 5.04 -0.60 -2.05 117.35 125.61 1cuj s TYR 38 Ca -0.03 -0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 54.25 1cuj s TYR 38 Cb -0.15 -0.81 -0.01 0.00 0.35 0.00 0.00 41.96 41.34 1cuj s TYR 38 CO -0.04 -0.14 -0.05 0.00 -1.34 0.00 0.00 175.55 173.98 1cuj s ALA 39 N 0.26 2.83 0.96 3.97 0.00 -0.55 -1.25 121.76 127.98 1cuj s ALA 39 Ca -0.05 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 50.74 1cuj s ALA 39 Cb -0.10 -1.60 0.17 0.00 0.00 0.00 0.00 23.12 21.58 1cuj s ALA 39 CO 0.01 -0.19 1.11 -0.98 0.00 0.00 0.00 175.76 175.72 1cuj s ARG 40 N 1.07 0.74 0.78 0.00 1.70 -1.26 -1.69 118.95 120.29 1cuj s ARG 40 Ca 0.01 0.39 -0.09 0.00 -0.47 0.00 0.00 55.73 55.58 1cuj s ARG 40 Cb -0.15 -1.78 0.11 0.00 -0.57 0.00 0.00 34.95 32.56 1cuj s ARG 40 CO -0.00 -2.50 1.11 0.20 -1.08 0.00 0.00 175.30 173.03 1cuj s GLY 41 N -3.73 1.71 0.31 3.88 0.00 -1.18 -2.45 107.32 105.85 1cuj s GLY 41 Ca 0.65 -1.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.00 1cuj s GLY 41 CO 0.56 -0.54 1.51 1.44 0.00 0.00 0.00 173.10 176.07 1cuj n SER 42 N -3.17 3.54 0.00 1.64 7.64 -1.26 -2.29 113.62 119.71 1cuj n SER 42 Ca 0.11 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.16 1cuj n SER 42 Cb 0.60 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 1cuj n SER 42 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1cuj n THR 43 N 1.57 0.00 -1.88 0.44 -1.04 0.04 -4.95 114.28 108.46 1cuj n THR 43 Ca 0.07 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 1cuj n THR 43 Cb 0.36 -0.54 0.01 0.00 -1.82 0.00 0.00 70.33 68.35 1cuj n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1cuj s GLU 44 N -1.07 3.46 0.49 -2.82 2.02 -0.97 -5.06 118.70 114.76 1cuj s GLU 44 Ca 0.00 0.86 -0.00 0.00 0.02 0.00 0.00 54.97 55.84 1cuj s GLU 44 Cb 0.00 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1cuj s GLU 44 CO 0.00 -0.68 0.73 0.95 0.02 0.00 0.00 175.26 176.28 1cuj s THR 45 N -3.03 3.62 0.00 3.63 -4.23 -1.26 -4.84 115.64 109.53 1cuj s THR 45 Ca 0.57 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1cuj s THR 45 Cb -0.12 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.36 1cuj s THR 45 CO 0.50 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1cuj n GLY 46 N -2.21 1.92 0.00 3.99 0.00 -1.26 -1.19 105.19 106.44 1cuj n GLY 46 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1cuj n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cuj n ASN 47 N -1.23 1.75 -0.00 1.61 2.04 0.19 -4.70 115.26 114.93 1cuj n ASN 47 Ca 0.00 -1.81 0.01 0.00 -0.44 0.00 0.00 54.58 52.35 1cuj n ASN 47 Cb 0.00 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.23 1cuj n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1cuj n LEU 48 N -0.40 0.02 0.00 -4.53 4.77 0.02 -3.56 117.00 113.32 1cuj n LEU 48 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1cuj n LEU 48 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1cuj n LEU 48 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1cuj n GLY 49 N 2.10 1.49 0.08 -0.72 0.00 -0.33 -2.58 105.19 105.23 1cuj n GLY 49 Ca -0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1cuj n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cuj h THR 50 N 0.00 1.17 0.00 2.61 1.35 -1.97 -3.39 112.91 112.68 1cuj h THR 50 Ca 0.00 -2.87 -0.36 0.00 -0.55 0.00 0.00 66.41 62.63 1cuj h THR 50 Cb 0.00 2.55 -0.07 0.00 -1.73 0.00 0.00 68.15 68.91 1cuj h THR 50 CO 0.00 0.67 -2.30 0.18 -0.25 0.00 0.00 175.52 173.81 1cuj n LEU 51 N -3.17 0.32 -0.22 3.87 4.77 -1.26 -4.58 117.00 116.72 1cuj n LEU 51 Ca -0.07 0.05 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1cuj n LEU 51 Cb 0.95 0.36 0.14 0.00 -2.33 0.00 0.00 43.42 42.53 1cuj n LEU 51 CO 0.45 0.52 0.97 1.23 -1.33 0.00 0.00 177.39 179.23 1cuj h GLY 52 N 3.79 0.93 1.18 -0.72 0.00 -1.68 -2.86 103.07 103.70 1cuj h GLY 52 Ca -0.52 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1cuj h GLY 52 CO 0.03 -0.08 0.43 -2.55 0.00 0.00 0.00 176.54 174.36 1cuj h PRO 53 N 0.37 1.08 -0.51 4.80 0.11 -1.79 -0.86 132.00 135.20 1cuj h PRO 53 Ca 0.35 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1cuj h PRO 53 Cb 0.50 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1cuj h PRO 53 CO -0.38 0.79 0.29 0.77 -0.21 0.00 0.00 178.00 179.26 1cuj h SER 54 N 1.09 0.63 -0.35 -2.05 0.02 -1.78 -0.89 113.55 110.22 1cuj h SER 54 Ca 0.27 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1cuj h SER 54 Cb 0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1cuj h SER 54 CO -0.04 0.53 -0.05 0.40 -1.14 0.00 0.00 176.83 176.53 1cuj h ILE 55 N 0.68 1.27 -0.62 3.27 2.04 -1.31 -3.03 117.51 119.80 1cuj h ILE 55 Ca 0.18 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1cuj h ILE 55 Cb 0.03 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1cuj h ILE 55 CO -0.03 0.35 0.41 0.00 0.00 0.00 0.00 178.15 178.88 1cuj h ALA 56 N 0.83 0.79 -0.73 1.87 0.00 -0.90 -1.36 119.26 119.77 1cuj h ALA 56 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1cuj h ALA 56 Cb 0.53 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1cuj h ALA 56 CO 0.03 0.20 0.42 0.77 0.00 0.00 0.00 179.25 180.67 1cuj h SER 57 N 0.82 0.88 0.80 0.00 0.02 -1.13 -0.75 113.55 114.20 1cuj h SER 57 Ca 0.23 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.97 1cuj h SER 57 Cb -0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1cuj h SER 57 CO -0.06 0.69 -0.75 0.78 -1.14 0.00 0.00 176.83 176.35 1cuj h ASN 58 N 1.00 0.00 -0.16 3.07 2.35 -1.28 -1.77 115.58 118.79 1cuj h ASN 58 Ca 0.26 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.84 1cuj h ASN 58 Cb -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1cuj h ASN 58 CO -0.05 0.75 -0.52 -0.07 -1.65 0.00 0.00 177.43 175.89 1cuj h LEU 59 N 0.00 0.81 -0.88 1.61 3.38 -0.33 -2.47 115.31 117.44 1cuj h LEU 59 Ca -0.01 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1cuj h LEU 59 Cb 1.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1cuj h LEU 59 CO 0.10 1.18 0.14 -0.33 0.09 0.00 0.00 178.44 179.61 1cuj h GLU 60 N 0.57 0.97 -0.80 1.13 5.08 -1.01 -0.73 114.58 119.79 1cuj h GLU 60 Ca 0.02 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1cuj h GLU 60 Cb 1.09 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 1cuj h GLU 60 CO 0.11 0.87 0.47 0.77 -1.00 0.00 0.00 179.01 180.23 1cuj h SER 61 N 0.92 0.97 0.10 1.42 0.02 -1.13 0.33 113.55 116.17 1cuj h SER 61 Ca 0.19 -0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.79 1cuj h SER 61 Cb 0.35 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 62.67 1cuj h SER 61 CO 0.00 0.75 -1.19 0.00 -1.14 0.00 0.00 176.83 175.25 1cuj h ALA 62 N 1.41 0.01 -0.00 3.77 0.00 -0.93 -3.37 119.26 120.15 1cuj h ALA 62 Ca 0.29 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cuj h ALA 62 Cb -0.03 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cuj h ALA 62 CO -0.05 0.67 -0.53 1.19 0.00 0.00 0.00 179.25 180.53 1cuj n PHE 63 N -3.82 0.00 0.00 0.00 3.72 -0.34 -5.11 117.46 111.91 1cuj n PHE 63 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1cuj n PHE 63 Cb 0.96 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 1cuj n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cuj n GLY 64 N 1.24 -1.15 0.30 1.37 0.00 0.11 -3.43 105.19 103.64 1cuj n GLY 64 Ca 0.03 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.54 1cuj n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cuj h LYS 65 N 0.00 0.79 -0.00 1.61 1.79 -1.91 -1.08 116.57 117.77 1cuj h LYS 65 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1cuj h LYS 65 Cb 0.00 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.47 1cuj h LYS 65 CO 0.00 0.52 -0.05 -0.25 -1.08 0.00 0.00 179.45 178.59 1cuj n ASP 66 N -4.72 0.09 0.12 0.86 8.00 -1.26 -3.73 116.55 115.91 1cuj n ASP 66 Ca 0.12 0.12 0.11 0.00 0.71 0.00 0.00 54.79 55.86 1cuj n ASP 66 Cb 0.22 -0.33 0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1cuj n ASP 66 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cuj h GLY 67 N 5.00 0.00 -5.69 0.44 0.00 -1.21 -3.41 103.07 98.19 1cuj h GLY 67 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1cuj h GLY 67 CO 0.00 0.00 -0.78 0.54 0.00 0.00 0.00 176.54 176.30 1cuj s VAL 68 N -3.33 0.65 -0.20 4.60 0.11 -1.17 -1.83 120.40 119.22 1cuj s VAL 68 Ca 0.01 -0.27 -0.08 0.00 -2.93 0.00 0.00 61.98 58.71 1cuj s VAL 68 Cb 0.09 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1cuj s VAL 68 CO 0.77 0.22 0.08 0.26 -3.33 0.00 0.00 175.10 173.09 1cuj s TRP 69 N 0.32 3.22 -0.15 1.54 0.51 -0.20 -4.90 118.94 119.29 1cuj s TRP 69 Ca -0.05 -0.00 -0.04 0.00 -2.12 0.00 0.00 56.10 53.89 1cuj s TRP 69 Cb -0.09 -2.14 -0.03 0.00 -0.81 0.00 0.00 33.47 30.40 1cuj s TRP 69 CO 0.00 0.03 -0.00 -1.50 -0.51 0.00 0.00 176.95 174.97 1cuj s ILE 70 N 0.73 4.21 -0.13 2.03 1.10 -1.26 -0.85 121.20 127.03 1cuj s ILE 70 Ca 0.04 -0.25 -0.02 0.00 -0.51 0.00 0.00 60.65 59.90 1cuj s ILE 70 Cb -0.13 -2.84 0.04 0.00 0.15 0.00 0.00 42.46 39.68 1cuj s ILE 70 CO 0.02 0.51 0.03 -1.58 -2.11 0.00 0.00 174.94 171.81 1cuj s GLN 71 N 0.09 0.52 0.55 3.50 2.00 0.12 -1.43 119.66 125.01 1cuj s GLN 71 Ca 0.01 -0.10 -0.07 0.00 -2.00 0.00 0.00 55.36 53.20 1cuj s GLN 71 Cb -0.13 -1.50 -0.03 0.00 0.80 0.00 0.00 33.01 32.15 1cuj s GLN 71 CO 0.02 -0.48 0.90 0.20 -0.50 0.00 0.00 175.29 175.42 1cuj s GLY 72 N 1.96 1.57 -0.48 2.59 0.00 -0.65 -1.56 107.32 110.76 1cuj s GLY 72 Ca 0.02 -0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.16 1cuj s GLY 72 CO -0.07 -0.16 0.64 0.14 0.00 0.00 0.00 173.10 173.66 1cuj s VAL 73 N -2.95 4.83 0.00 1.40 1.01 -0.38 -4.83 120.40 119.48 1cuj s VAL 73 Ca 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1cuj s VAL 73 Cb -0.11 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1cuj s VAL 73 CO 0.48 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1cuj n GLY 74 N 5.11 1.40 7.00 4.51 0.00 -1.26 -4.77 105.19 117.19 1cuj n GLY 74 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1cuj n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cuj n GLY 75 N 5.00 3.71 0.00 -0.02 0.00 -1.26 -0.92 105.19 111.71 1cuj n GLY 75 Ca 0.00 0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1cuj n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cuj n ALA 76 N 12.07 2.21 -2.65 4.61 0.00 -1.26 -4.56 120.51 130.93 1cuj n ALA 76 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1cuj n ALA 76 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 1cuj n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1cuj s TYR 77 N -2.84 2.72 -0.61 0.00 5.04 -0.09 -4.50 117.35 117.08 1cuj s TYR 77 Ca 0.17 0.03 0.24 0.00 -2.44 0.00 0.00 57.07 55.07 1cuj s TYR 77 Cb 0.17 -4.20 0.41 0.00 0.35 0.00 0.00 41.96 38.68 1cuj s TYR 77 CO 0.44 -1.45 1.41 0.00 -1.34 0.00 0.00 175.55 174.60 1cuj h ARG 78 N 9.41 0.00 -6.24 4.97 -0.00 -1.86 -3.44 114.38 117.23 1cuj h ARG 78 Ca -0.26 0.00 -0.45 0.00 -0.50 0.00 0.00 59.98 58.77 1cuj h ARG 78 Cb 1.07 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.05 1cuj h ARG 78 CO 1.12 0.00 -0.84 0.00 0.00 0.00 0.00 179.97 180.25 1cuj n ALA 79 N -1.87 -1.97 -2.69 0.04 0.00 -1.26 -4.72 120.51 108.04 1cuj n ALA 79 Ca 0.03 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1cuj n ALA 79 Cb 0.45 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 1cuj n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cuj s THR 80 N -3.74 4.79 0.23 0.00 2.01 -1.26 -0.78 115.64 116.90 1cuj s THR 80 Ca 0.05 2.04 -0.06 0.00 0.31 0.00 0.00 61.69 64.03 1cuj s THR 80 Cb -0.02 -4.31 0.19 0.00 0.01 0.00 0.00 72.50 68.36 1cuj s THR 80 CO 0.84 0.03 1.73 0.25 -0.69 0.00 0.00 174.62 176.78 1cuj h LEU 81 N 7.84 0.24 -2.35 4.42 5.85 -1.92 -1.57 115.31 127.81 1cuj h LEU 81 Ca -0.32 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1cuj h LEU 81 Cb 1.16 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1cuj h LEU 81 CO 0.84 0.11 -0.04 1.23 -0.34 0.00 0.00 178.44 180.24 1cuj h GLY 82 N 0.42 0.00 1.79 3.75 0.00 -2.02 -1.77 103.07 105.24 1cuj h GLY 82 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1cuj h GLY 82 CO -0.37 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.39 1cuj n ASP 83 N -3.60 0.00 0.29 0.19 8.00 -0.59 -1.90 116.55 118.94 1cuj n ASP 83 Ca -0.02 0.30 0.15 0.00 0.71 0.00 0.00 54.79 55.93 1cuj n ASP 83 Cb 0.14 -0.40 0.86 0.00 -0.02 0.00 0.00 41.12 41.71 1cuj n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1cuj h ASN 84 N 0.00 0.00 0.91 -2.24 2.35 -1.47 -2.44 115.58 112.69 1cuj h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cuj h ASN 84 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1cuj h ASN 84 CO 0.00 0.05 -0.21 0.00 -1.65 0.00 0.00 177.43 175.62 1cuj n ALA 85 N -2.26 2.73 -1.32 -0.83 0.00 -0.80 -4.31 120.51 113.72 1cuj n ALA 85 Ca -0.02 -0.18 -0.32 0.00 0.00 0.00 0.00 53.44 52.93 1cuj n ALA 85 Cb 0.16 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.35 1cuj n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cuj s LEU 86 N -3.35 3.13 0.27 0.00 1.02 -0.93 -4.88 118.68 113.93 1cuj s LEU 86 Ca 0.12 1.88 -0.05 0.00 0.02 0.00 0.00 54.13 56.10 1cuj s LEU 86 Cb 0.17 -4.53 0.52 0.00 0.02 0.00 0.00 46.19 42.37 1cuj s LEU 86 CO 0.61 -1.95 1.60 -0.65 0.02 0.00 0.00 176.35 175.98 1cuj h PRO 87 N -0.82 0.05 -0.50 1.29 0.11 -1.90 0.12 132.00 130.34 1cuj h PRO 87 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1cuj h PRO 87 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1cuj h PRO 87 CO 0.52 0.03 0.00 0.54 -0.21 0.00 0.00 178.00 178.88 1cuj n ARG 88 N -5.45 2.30 -0.98 1.05 1.74 -1.26 -4.91 116.66 109.15 1cuj n ARG 88 Ca 0.16 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 1cuj n ARG 88 Cb 0.55 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1cuj n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cuj n GLY 89 N 1.40 0.51 3.85 -0.13 0.00 0.40 -4.73 105.19 106.50 1cuj n GLY 89 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 1cuj n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cuj s THR 90 N -2.03 0.00 0.46 2.61 -1.32 -1.12 -4.15 115.64 110.10 1cuj s THR 90 Ca 0.00 -0.76 -0.07 0.00 -1.21 0.00 0.00 61.69 59.65 1cuj s THR 90 Cb 0.00 -2.88 -0.04 0.00 -1.51 0.00 0.00 72.50 68.06 1cuj s THR 90 CO 0.00 0.00 0.78 -0.94 -2.21 0.00 0.00 174.62 172.25 1cuj s SER 91 N -3.27 6.33 0.29 8.08 1.04 -1.26 -4.73 113.70 120.18 1cuj s SER 91 Ca 0.19 0.98 -0.00 0.00 0.48 0.00 0.00 55.95 57.60 1cuj s SER 91 Cb -0.04 -2.27 0.42 0.00 0.10 0.00 0.00 66.02 64.24 1cuj s SER 91 CO 0.08 -0.53 1.82 0.28 0.98 0.00 0.00 173.24 175.87 1cuj h SER 92 N 0.52 0.72 -0.75 7.02 0.02 -2.00 -2.42 113.55 116.66 1cuj h SER 92 Ca -0.47 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.32 1cuj h SER 92 Cb 1.20 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 1cuj h SER 92 CO 0.62 0.73 0.37 0.00 -1.14 0.00 0.00 176.83 177.41 1cuj h ALA 93 N 1.36 1.20 -0.45 3.77 0.00 -1.93 -1.47 119.26 121.73 1cuj h ALA 93 Ca 0.16 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1cuj h ALA 93 Cb 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1cuj h ALA 93 CO 0.00 0.61 -0.18 0.00 0.00 0.00 0.00 179.25 179.68 1cuj h ALA 94 N 1.31 0.63 -0.69 0.00 0.00 -1.68 -2.18 119.26 116.67 1cuj h ALA 94 Ca 0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1cuj h ALA 94 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1cuj h ALA 94 CO -0.03 0.59 0.42 0.82 0.00 0.00 0.00 179.25 181.05 1cuj h ILE 95 N 0.76 1.20 -0.99 0.00 2.04 -1.16 -1.95 117.51 117.41 1cuj h ILE 95 Ca 0.11 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.57 1cuj h ILE 95 Cb 0.75 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1cuj h ILE 95 CO 0.06 0.20 0.65 -0.09 0.00 0.00 0.00 178.15 178.97 1cuj h ARG 96 N 0.93 1.24 -0.27 2.37 2.43 -1.14 0.00 114.38 119.94 1cuj h ARG 96 Ca 0.25 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1cuj h ARG 96 Cb -0.04 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.22 1cuj h ARG 96 CO -0.05 0.82 0.11 1.49 -1.51 0.00 0.00 179.97 180.83 1cuj h GLU 97 N 1.27 0.40 -0.13 0.20 4.57 -0.73 -0.97 114.58 119.20 1cuj h GLU 97 Ca 0.38 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.31 1cuj h GLU 97 Cb -0.05 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1cuj h GLU 97 CO -0.11 0.43 -0.67 1.98 -1.18 0.00 0.00 179.01 179.46 1cuj h MET 98 N 0.28 0.51 -0.78 1.92 4.05 -1.05 -1.92 114.93 117.95 1cuj h MET 98 Ca 0.09 -0.38 0.02 0.00 -0.28 0.00 0.00 59.70 59.14 1cuj h MET 98 Cb 0.18 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1cuj h MET 98 CO -0.01 1.01 0.51 1.25 0.23 0.00 0.00 176.91 179.90 1cuj h LEU 99 N 0.37 0.86 -1.28 3.39 5.85 -0.92 -1.73 115.31 121.85 1cuj h LEU 99 Ca -0.02 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1cuj h LEU 99 Cb 1.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1cuj h LEU 99 CO 0.12 0.61 0.01 1.23 -0.34 0.00 0.00 178.44 180.07 1cuj h GLY 100 N 1.02 0.53 1.34 3.75 0.00 -0.67 -1.20 103.07 107.84 1cuj h GLY 100 Ca 0.29 -0.30 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 1cuj h GLY 100 CO -0.08 0.28 -0.69 1.41 0.00 0.00 0.00 176.54 177.47 1cuj h LEU 101 N 0.48 0.77 -0.68 3.11 3.38 -0.59 0.35 115.31 122.12 1cuj h LEU 101 Ca 0.10 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1cuj h LEU 101 Cb 0.30 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1cuj h LEU 101 CO 0.01 1.24 0.22 -0.26 0.09 0.00 0.00 178.44 179.74 1cuj h PHE 102 N 0.47 1.09 -0.66 1.13 0.04 -1.04 -0.68 116.94 117.28 1cuj h PHE 102 Ca -0.03 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.57 1cuj h PHE 102 Cb 1.28 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 39.09 1cuj h PHE 102 CO 0.07 0.87 0.16 1.96 -0.60 0.00 0.00 178.31 180.76 1cuj h GLN 103 N 0.99 1.06 -0.80 1.51 4.20 -1.02 -1.74 115.11 119.31 1cuj h GLN 103 Ca 0.22 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1cuj h GLN 103 Cb 0.29 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1cuj h GLN 103 CO -0.01 0.95 0.47 1.96 -0.67 0.00 0.00 178.83 181.53 1cuj h GLN 104 N 0.99 1.10 -0.58 1.46 4.20 -0.69 -0.90 115.11 120.69 1cuj h GLN 104 Ca 0.21 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1cuj h GLN 104 Cb 0.37 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1cuj h GLN 104 CO 0.00 0.79 0.35 0.00 -0.67 0.00 0.00 178.83 179.31 1cuj h ALA 105 N 1.25 0.74 -0.70 3.87 0.00 -0.80 -0.22 119.26 123.40 1cuj h ALA 105 Ca 0.29 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1cuj h ALA 105 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1cuj h ALA 105 CO -0.05 0.23 0.23 -0.97 0.00 0.00 0.00 179.25 178.68 1cuj h ASN 106 N 0.79 0.99 0.01 0.00 -1.24 -1.03 0.63 115.58 115.74 1cuj h ASN 106 Ca 0.21 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 1cuj h ASN 106 Cb -0.01 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.78 1cuj h ASN 106 CO -0.04 0.91 -0.01 0.74 -1.29 0.00 0.00 177.43 177.75 1cuj h THR 107 N 1.03 1.52 -0.47 -3.57 2.02 -0.93 -3.20 112.91 109.32 1cuj h THR 107 Ca 0.23 -1.73 -0.13 0.00 0.77 0.00 0.00 66.41 65.54 1cuj h THR 107 Cb 0.27 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 1cuj h THR 107 CO -0.01 0.44 -0.22 0.50 0.37 0.00 0.00 175.52 176.60 1cuj h LYS 108 N -0.78 0.96 -2.49 6.66 3.64 -1.05 -3.39 116.57 120.12 1cuj h LYS 108 Ca -0.00 -0.41 -0.60 0.00 -1.27 0.00 0.00 60.65 58.38 1cuj h LYS 108 Cb 0.73 -0.03 -0.39 0.00 -0.41 0.00 0.00 32.23 32.13 1cuj h LYS 108 CO 0.00 1.07 -0.90 0.00 -2.27 0.00 0.00 179.45 177.36 1cuj h PRO 110 N 5.52 0.00 -0.32 0.00 0.13 -1.72 -2.49 132.00 133.12 1cuj h PRO 110 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1cuj h PRO 110 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1cuj h PRO 110 CO 0.45 0.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.02 1cuj n ASP 111 N -3.45 2.91 -4.82 1.44 8.00 -1.26 -4.95 116.55 114.43 1cuj n ASP 111 Ca -0.02 -1.92 -0.33 0.00 0.71 0.00 0.00 54.79 53.24 1cuj n ASP 111 Cb 0.19 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 1cuj n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cuj s ALA 112 N -1.58 3.02 -0.01 2.24 0.00 -0.94 -4.35 121.76 120.14 1cuj s ALA 112 Ca 0.36 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 1cuj s ALA 112 Cb 0.21 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1cuj s ALA 112 CO 0.30 0.05 0.56 0.99 0.00 0.00 0.00 175.76 177.65 1cuj s THR 113 N -2.20 4.94 0.15 0.00 2.01 -0.30 -4.94 115.64 115.30 1cuj s THR 113 Ca 0.62 1.16 0.04 0.00 0.31 0.00 0.00 61.69 63.82 1cuj s THR 113 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1cuj s THR 113 CO 0.15 0.44 0.18 -0.76 -0.69 0.00 0.00 174.62 173.94 1cuj s LEU 114 N -0.28 3.99 0.04 4.42 1.43 -0.73 -1.58 118.68 125.97 1cuj s LEU 114 Ca 0.29 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1cuj s LEU 114 Cb -0.18 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 1cuj s LEU 114 CO 0.16 0.07 0.12 0.27 0.23 0.00 0.00 176.35 177.20 1cuj s ILE 115 N -1.72 0.13 0.14 -0.59 -4.36 -0.62 -0.61 121.20 113.56 1cuj s ILE 115 Ca 0.32 -1.07 -0.06 0.00 -0.26 0.00 0.00 60.65 59.58 1cuj s ILE 115 Cb -0.11 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.64 1cuj s ILE 115 CO 0.25 -0.59 0.17 0.00 0.24 0.00 0.00 174.94 175.01 1cuj s ALA 116 N -2.71 0.30 0.13 2.27 0.00 -0.83 -1.91 121.76 119.01 1cuj s ALA 116 Ca -0.04 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 1cuj s ALA 116 Cb -0.00 0.78 0.07 0.00 0.00 0.00 0.00 23.12 23.96 1cuj s ALA 116 CO -0.05 -0.56 0.87 0.20 0.00 0.00 0.00 175.76 176.23 1cuj s GLY 117 N -2.98 -0.31 -0.07 0.00 0.00 -0.87 -1.74 107.32 101.36 1cuj s GLY 117 Ca 0.17 0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.91 1cuj s GLY 117 CO -0.01 0.09 0.93 -0.32 0.00 0.00 0.00 173.10 173.78 1cuj s GLY 118 N -2.81 -0.40 -0.10 0.20 0.00 -0.74 -1.48 107.32 102.00 1cuj s GLY 118 Ca 0.09 1.39 0.03 0.00 0.00 0.00 0.00 44.72 46.23 1cuj s GLY 118 CO -0.01 0.61 -0.17 -0.47 0.00 0.00 0.00 173.10 173.05 1cuj s TYR 119 N -2.33 2.03 0.00 1.90 5.04 -0.68 -1.35 117.35 121.96 1cuj s TYR 119 Ca 0.02 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 53.77 1cuj s TYR 119 Cb -0.01 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 40.87 1cuj s TYR 119 CO -0.04 -0.42 0.00 0.00 -1.34 0.00 0.00 175.55 173.75 1cuj h GLN 121 N 0.00 0.46 0.00 0.00 4.15 -1.84 0.80 115.11 118.67 1cuj h GLN 121 Ca 0.00 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1cuj h GLN 121 Cb 0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1cuj h GLN 121 CO 0.00 0.30 -0.20 0.78 -1.93 0.00 0.00 178.83 177.78 1cuj h GLY 122 N 0.47 0.00 1.09 2.39 0.00 -0.52 0.13 103.07 106.63 1cuj h GLY 122 Ca 0.68 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.82 1cuj h GLY 122 CO -0.50 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.46 1cuj h ALA 123 N 1.80 0.36 -0.75 3.60 0.00 -0.87 -0.20 119.26 123.20 1cuj h ALA 123 Ca -0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1cuj h ALA 123 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1cuj h ALA 123 CO 0.03 0.59 0.34 0.00 0.00 0.00 0.00 179.25 180.21 1cuj h ALA 124 N 0.61 0.96 -0.33 0.00 0.00 -0.92 -0.51 119.26 119.07 1cuj h ALA 124 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cuj h ALA 124 Cb 1.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1cuj h ALA 124 CO 0.12 0.55 0.18 1.25 0.00 0.00 0.00 179.25 181.36 1cuj h LEU 125 N 1.06 0.41 -0.66 0.00 5.85 -0.69 0.35 115.31 121.62 1cuj h LEU 125 Ca 0.25 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1cuj h LEU 125 Cb 0.15 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1cuj h LEU 125 CO -0.03 0.38 0.40 0.00 -0.34 0.00 0.00 178.44 178.85 1cuj h ALA 126 N 1.05 0.85 -0.50 1.25 0.00 -0.80 0.17 119.26 121.27 1cuj h ALA 126 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1cuj h ALA 126 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1cuj h ALA 126 CO -0.02 0.32 0.02 0.00 0.00 0.00 0.00 179.25 179.57 1cuj h ALA 127 N 1.21 0.67 -0.45 0.00 0.00 -0.79 -0.79 119.26 119.12 1cuj h ALA 127 Ca 0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1cuj h ALA 127 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1cuj h ALA 127 CO -0.04 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 179.52 1cuj h ALA 128 N 0.94 0.62 -0.30 0.00 0.00 -0.68 -1.40 119.26 118.44 1cuj h ALA 128 Ca 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1cuj h ALA 128 Cb 0.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1cuj h ALA 128 CO 0.02 0.55 0.12 0.77 0.00 0.00 0.00 179.25 180.71 1cuj h SER 129 N 0.72 0.41 -0.51 0.00 0.02 -0.82 -2.17 113.55 111.20 1cuj h SER 129 Ca 0.11 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1cuj h SER 129 Cb 0.71 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1cuj h SER 129 CO 0.05 0.47 -0.06 0.40 -1.14 0.00 0.00 176.83 176.55 1cuj h ILE 130 N 0.33 1.26 -0.99 3.27 2.04 -1.05 -0.97 117.51 121.40 1cuj h ILE 130 Ca 0.10 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1cuj h ILE 130 Cb 0.18 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1cuj h ILE 130 CO -0.01 0.42 0.64 -0.08 0.00 0.00 0.00 178.15 179.13 1cuj h GLU 131 N 0.88 1.17 0.00 2.37 4.81 -1.11 -2.80 114.58 119.91 1cuj h GLU 131 Ca 0.15 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1cuj h GLU 131 Cb 0.59 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1cuj h GLU 131 CO 0.04 0.78 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.40 1cuj h ASP 132 N 1.21 0.00 -4.04 1.04 3.32 -0.73 -3.48 116.42 113.75 1cuj h ASP 132 Ca 0.41 -0.08 -0.55 0.00 0.02 0.00 0.00 57.03 56.83 1cuj h ASP 132 Cb 0.07 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.75 1cuj h ASP 132 CO -0.14 0.04 0.62 -0.76 -1.72 0.00 0.00 179.24 177.28 1cuj s LEU 133 N -4.56 3.91 0.20 1.55 1.43 -0.43 -4.93 118.68 115.84 1cuj s LEU 133 Ca 0.08 2.77 -0.33 0.00 -1.03 0.00 0.00 54.13 55.63 1cuj s LEU 133 Cb 0.12 -4.21 -0.13 0.00 0.03 0.00 0.00 46.19 42.00 1cuj s LEU 133 CO 0.65 -1.47 1.54 -0.67 0.23 0.00 0.00 176.35 176.63 1cuj n ASP 134 N -0.85 3.10 -0.34 2.29 2.03 -1.26 -4.77 116.55 116.75 1cuj n ASP 134 Ca 0.09 1.10 0.16 0.00 0.52 0.00 0.00 54.79 56.67 1cuj n ASP 134 Cb 0.45 -1.45 0.38 0.00 -0.72 0.00 0.00 41.12 39.78 1cuj n ASP 134 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1cuj h SER 135 N 5.36 0.69 0.73 1.67 0.87 -1.95 -0.70 113.55 120.22 1cuj h SER 135 Ca -0.45 0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.18 1cuj h SER 135 Cb 1.26 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 1cuj h SER 135 CO 0.85 0.19 -0.19 0.00 -0.53 0.00 0.00 176.83 177.14 1cuj h ALA 136 N 1.67 1.10 0.10 6.23 0.00 -1.99 -1.44 119.26 124.93 1cuj h ALA 136 Ca 0.60 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 55.04 1cuj h ALA 136 Cb 1.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1cuj h ALA 136 CO -0.39 0.24 -1.57 0.82 0.00 0.00 0.00 179.25 178.35 1cuj h ILE 137 N 0.00 0.89 -0.97 0.00 2.04 -1.56 -3.35 117.51 114.56 1cuj h ILE 137 Ca -0.00 -2.35 0.17 0.00 1.00 0.00 0.00 64.86 63.68 1cuj h ILE 137 Cb 0.61 2.58 -0.10 0.00 -0.74 0.00 0.00 36.82 39.17 1cuj h ILE 137 CO 0.02 0.70 0.57 -0.09 0.00 0.00 0.00 178.15 179.36 1cuj h ARG 138 N -0.29 0.73 0.00 2.37 2.43 -1.03 -0.14 114.38 118.44 1cuj h ARG 138 Ca -0.35 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1cuj h ARG 138 Cb 1.78 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 1cuj h ARG 138 CO 0.03 0.48 0.00 -0.25 -1.51 0.00 0.00 179.97 178.72 1cuj n ASP 139 N -4.78 0.00 -0.16 -3.80 8.00 -0.56 -1.48 116.55 113.77 1cuj n ASP 139 Ca 0.22 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.30 1cuj n ASP 139 Cb 0.52 -0.48 0.28 0.00 -0.02 0.00 0.00 41.12 41.42 1cuj n ASP 139 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cuj n LYS 140 N -1.48 0.53 -2.74 -1.24 5.02 -0.07 -4.75 118.16 113.43 1cuj n LYS 140 Ca 0.04 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.57 1cuj n LYS 140 Cb 0.15 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1cuj n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1cuj s ILE 141 N -2.70 4.13 0.20 -0.18 1.01 -0.55 -1.77 121.20 121.35 1cuj s ILE 141 Ca 0.18 0.12 0.27 0.00 0.00 0.00 0.00 60.65 61.23 1cuj s ILE 141 Cb 0.18 -4.72 0.29 0.00 0.01 0.00 0.00 42.46 38.22 1cuj s ILE 141 CO 0.61 -1.49 1.93 0.00 0.00 0.00 0.00 174.94 175.99 1cuj h ALA 142 N 9.64 1.07 -1.70 9.38 0.00 -1.16 -3.45 119.26 133.04 1cuj h ALA 142 Ca -0.28 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1cuj h ALA 142 Cb 1.06 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.60 1cuj h ALA 142 CO 1.19 0.19 0.41 0.20 0.00 0.00 0.00 179.25 181.23 1cuj s GLY 143 N -4.24 -0.32 -0.03 0.00 0.00 -1.26 -4.77 107.32 96.69 1cuj s GLY 143 Ca -0.00 2.07 0.02 0.00 0.00 0.00 0.00 44.72 46.81 1cuj s GLY 143 CO 0.60 1.32 -0.08 -1.59 0.00 0.00 0.00 173.10 173.35 1cuj s THR 144 N -0.59 0.72 -0.09 0.90 2.01 0.05 -1.96 115.64 116.68 1cuj s THR 144 Ca -0.02 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1cuj s THR 144 Cb -0.02 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1cuj s THR 144 CO 0.01 0.24 -0.13 0.68 -0.69 0.00 0.00 174.62 174.73 1cuj s VAL 145 N 0.41 3.10 -0.11 3.82 -7.23 -0.71 -1.31 120.40 118.37 1cuj s VAL 145 Ca -0.06 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1cuj s VAL 145 Cb -0.10 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.59 1cuj s VAL 145 CO 0.01 0.56 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.44 1cuj s LEU 146 N -0.21 1.75 -0.09 1.32 1.43 -0.44 -1.80 118.68 120.64 1cuj s LEU 146 Ca 0.01 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1cuj s LEU 146 Cb -0.13 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1cuj s LEU 146 CO 0.03 0.02 -0.08 -0.36 0.23 0.00 0.00 176.35 176.19 1cuj s PHE 147 N 0.94 2.90 -1.43 0.29 0.40 -0.46 -0.62 117.98 120.01 1cuj s PHE 147 Ca -0.07 -0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1cuj s PHE 147 Cb -0.15 -1.75 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1cuj s PHE 147 CO -0.01 0.19 0.73 0.41 0.70 0.00 0.00 175.22 177.25 1cuj n GLY 148 N 2.59 -0.35 3.60 4.36 0.00 -0.02 -1.02 105.19 114.35 1cuj n GLY 148 Ca -0.18 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1cuj n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cuj s TYR 149 N -3.59 1.50 -0.10 1.61 5.04 -1.26 -3.18 117.35 117.37 1cuj s TYR 149 Ca 0.26 0.64 0.30 0.00 -2.44 0.00 0.00 57.07 55.83 1cuj s TYR 149 Cb -0.13 -4.02 1.29 0.00 0.35 0.00 0.00 41.96 39.46 1cuj s TYR 149 CO 0.84 -3.38 1.89 1.79 -1.34 0.00 0.00 175.55 175.36 1cuj h THR 150 N 7.00 0.00 -0.56 4.34 1.35 -1.74 -1.61 112.91 121.70 1cuj h THR 150 Ca -0.36 -0.33 -0.18 0.00 -0.55 0.00 0.00 66.41 64.99 1cuj h THR 150 Cb 1.20 1.19 -0.11 0.00 -1.73 0.00 0.00 68.15 68.70 1cuj h THR 150 CO 1.01 0.00 0.16 0.29 -0.25 0.00 0.00 175.52 176.74 1cuj n LYS 151 N -2.70 2.97 -0.05 4.72 4.76 -1.26 -4.74 118.16 121.85 1cuj n LYS 151 Ca 0.01 -3.05 -0.10 0.00 -2.87 0.00 0.00 58.31 52.30 1cuj n LYS 151 Cb 0.24 -2.03 -0.03 0.00 -1.84 0.00 0.00 35.03 31.36 1cuj n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1cuj h ASN 152 N 1.92 0.24 -0.16 4.39 -0.73 -1.52 0.14 115.58 119.87 1cuj h ASN 152 Ca 0.23 -0.03 -0.12 0.00 1.87 0.00 0.00 56.30 58.24 1cuj h ASN 152 Cb 2.02 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 40.55 1cuj h ASN 152 CO 0.57 0.20 -0.38 0.25 -0.37 0.00 0.00 177.43 177.70 1cuj h LEU 153 N 0.26 0.62 -0.84 0.34 5.85 -1.84 -0.00 115.31 119.70 1cuj h LEU 153 Ca 0.07 -0.57 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1cuj h LEU 153 Cb -0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1cuj h LEU 153 CO -0.02 1.08 0.26 1.56 -0.34 0.00 0.00 178.44 180.98 1cuj h GLN 154 N 0.19 1.12 -0.65 1.25 7.50 -1.86 -1.87 115.11 120.78 1cuj h GLN 154 Ca -0.00 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 58.93 1cuj h GLN 154 Cb 0.99 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.34 1cuj h GLN 154 CO 0.08 0.93 0.00 0.09 -1.50 0.00 0.00 178.83 178.43 1cuj n ASN 155 N -4.27 3.59 -3.95 1.46 3.02 0.02 -4.96 115.26 110.18 1cuj n ASN 155 Ca 0.06 -2.05 -0.29 0.00 -0.03 0.00 0.00 54.58 52.28 1cuj n ASN 155 Cb 0.20 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1cuj n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cuj n ARG 156 N 1.36 -4.36 -1.15 3.52 5.12 -0.60 -2.14 116.66 118.41 1cuj n ARG 156 Ca 0.22 0.51 -0.05 0.00 -1.93 0.00 0.00 57.85 56.59 1cuj n ARG 156 Cb 0.58 -5.12 -0.02 0.00 -1.16 0.00 0.00 32.46 26.74 1cuj n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cuj n GLY 157 N -1.68 0.77 3.50 -0.13 0.00 -0.12 -5.01 105.19 102.52 1cuj n GLY 157 Ca -0.10 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 1cuj n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cuj s ARG 158 N -2.12 1.71 -0.22 1.61 1.81 -0.91 -4.90 118.95 115.93 1cuj s ARG 158 Ca 0.00 -1.90 -0.07 0.00 -1.72 0.00 0.00 55.73 52.04 1cuj s ARG 158 Cb 0.00 -1.37 -0.03 0.00 -0.45 0.00 0.00 34.95 33.10 1cuj s ARG 158 CO 0.00 0.03 0.06 0.42 -0.68 0.00 0.00 175.30 175.13 1cuj s ILE 159 N -2.87 4.48 0.23 1.52 1.01 -1.26 -4.80 121.20 119.49 1cuj s ILE 159 Ca 0.32 -0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 1cuj s ILE 159 Cb 0.05 -3.06 -0.14 0.00 0.01 0.00 0.00 42.46 39.32 1cuj s ILE 159 CO 0.15 0.39 1.31 -2.65 0.00 0.00 0.00 174.94 174.14 1cuj n PRO 160 N 4.34 1.77 -1.25 2.79 -0.02 -1.26 -2.27 135.00 139.10 1cuj n PRO 160 Ca -0.16 0.63 -0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1cuj n PRO 160 Cb 0.52 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1cuj n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cuj n ASN 161 N 1.99 -4.48 -4.00 2.55 3.02 -1.26 -4.11 115.26 108.98 1cuj n ASN 161 Ca 0.12 0.21 -0.19 0.00 -0.03 0.00 0.00 54.58 54.69 1cuj n ASN 161 Cb 0.30 -2.73 -0.15 0.00 -0.61 0.00 0.00 39.78 36.59 1cuj n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1cuj s TYR 162 N -2.16 0.81 0.43 3.10 5.04 -0.96 -5.01 117.35 118.59 1cuj s TYR 162 Ca 0.00 -0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.20 1cuj s TYR 162 Cb 0.00 -0.56 -0.08 0.00 0.35 0.00 0.00 41.96 41.66 1cuj s TYR 162 CO 0.00 -0.06 1.28 -1.25 -1.34 0.00 0.00 175.55 174.18 1cuj s PRO 163 N 0.05 3.86 0.34 4.97 0.04 -1.26 -4.57 135.00 138.43 1cuj s PRO 163 Ca -0.00 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.17 1cuj s PRO 163 Cb -0.06 -2.66 0.66 0.00 0.04 0.00 0.00 34.50 32.49 1cuj s PRO 163 CO 0.00 -0.57 1.95 0.00 0.04 0.00 0.00 177.00 178.42 1cuj h ALA 164 N 2.47 1.63 0.00 8.56 0.00 -1.93 -2.24 119.26 127.75 1cuj h ALA 164 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1cuj h ALA 164 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cuj h ALA 164 CO 0.62 0.26 0.00 0.38 0.00 0.00 0.00 179.25 180.51 1cuj h ASP 165 N 0.85 0.00 -0.20 0.00 2.03 -2.01 -2.07 116.42 115.03 1cuj h ASP 165 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1cuj h ASP 165 Cb 0.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 1cuj h ASP 165 CO -0.11 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.64 1cuj n ARG 166 N -2.46 2.28 -4.60 4.15 1.74 -0.85 -4.93 116.66 112.00 1cuj n ARG 166 Ca 0.02 -1.91 -0.34 0.00 -0.77 0.00 0.00 57.85 54.86 1cuj n ARG 166 Cb 0.28 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.12 1cuj n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cuj s THR 167 N -1.76 3.63 -0.07 0.55 2.01 -0.78 -0.77 115.64 118.45 1cuj s THR 167 Ca 0.34 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1cuj s THR 167 Cb 0.21 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 70.22 1cuj s THR 167 CO 0.31 0.56 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.98 1cuj s LYS 168 N -0.30 1.20 -0.14 4.92 2.20 -0.42 -4.97 119.74 122.23 1cuj s LYS 168 Ca 0.04 -0.20 -0.02 0.00 -0.36 0.00 0.00 55.97 55.43 1cuj s LYS 168 Cb -0.13 -1.17 -0.02 0.00 -1.51 0.00 0.00 37.83 35.00 1cuj s LYS 168 CO 0.02 -0.11 -0.08 0.08 -0.36 0.00 0.00 175.35 174.90 1cuj s VAL 169 N 1.13 3.54 -0.34 4.02 1.01 -1.26 -1.32 120.40 127.17 1cuj s VAL 169 Ca -0.07 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 1cuj s VAL 169 Cb -0.14 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.77 1cuj s VAL 169 CO -0.01 0.51 0.09 -0.36 0.00 0.00 0.00 175.10 175.34 1cuj s PHE 170 N 0.25 3.27 -0.19 5.22 0.08 0.20 -4.97 117.98 121.85 1cuj s PHE 170 Ca -0.05 -1.52 -0.03 0.00 0.12 0.00 0.00 56.93 55.45 1cuj s PHE 170 Cb -0.15 -2.29 0.06 0.00 -0.57 0.00 0.00 43.02 40.07 1cuj s PHE 170 CO 0.04 -0.75 0.03 0.00 -0.10 0.00 0.00 175.22 174.44 1cuj s ASN 172 N 1.85 6.33 0.22 0.00 0.01 -1.26 -4.99 114.94 117.11 1cuj s ASN 172 Ca -0.01 2.14 -0.32 0.00 -0.71 0.00 0.00 52.86 53.97 1cuj s ASN 172 Cb -0.17 -2.59 -0.12 0.00 0.41 0.00 0.00 41.25 38.79 1cuj s ASN 172 CO -0.08 -0.79 1.69 -0.89 -1.51 0.00 0.00 177.10 175.52 1cuj s THR 173 N -1.68 2.09 0.00 1.60 2.01 -1.26 -1.58 115.64 116.82 1cuj s THR 173 Ca 0.63 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1cuj s THR 173 Cb -0.24 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1cuj s THR 173 CO 0.29 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1cuj n GLY 174 N 3.63 0.78 3.44 4.40 0.00 -1.26 -4.83 105.19 111.36 1cuj n GLY 174 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1cuj n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cuj s ASP 175 N -2.61 6.18 0.62 1.61 -1.08 -0.61 -4.50 116.67 116.27 1cuj s ASP 175 Ca 0.00 -1.08 0.33 0.00 -0.52 0.00 0.00 52.55 51.28 1cuj s ASP 175 Cb 0.00 -2.40 1.89 0.00 -1.46 0.00 0.00 42.92 40.95 1cuj s ASP 175 CO 0.00 -1.39 2.18 -0.07 0.52 0.00 0.00 175.17 176.42 1cuj h LEU 176 N 11.12 0.00 -1.18 -1.34 3.38 -1.87 -1.10 115.31 124.31 1cuj h LEU 176 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1cuj h LEU 176 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1cuj h LEU 176 CO 1.17 0.00 0.00 -0.37 0.09 0.00 0.00 178.44 179.33 1cuj h VAL 177 N 0.00 0.00 0.00 1.22 -1.51 -1.70 -1.56 116.25 112.70 1cuj h VAL 177 Ca 0.04 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1cuj h VAL 177 Cb 0.28 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1cuj h VAL 177 CO -0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 176.22 1cuj n THR 179 N -1.64 2.15 -0.39 0.00 5.66 -0.63 -3.39 114.28 116.04 1cuj n THR 179 Ca 0.06 -3.02 0.00 0.00 -3.05 0.00 0.00 64.05 58.04 1cuj n THR 179 Cb 0.36 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1cuj n THR 179 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1cuj n GLY 180 N -1.18 0.74 3.87 1.09 0.00 -1.21 -4.97 105.19 103.54 1cuj n GLY 180 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1cuj n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cuj s SER 181 N -2.57 4.92 -0.14 1.61 0.15 -0.95 -5.04 113.70 111.68 1cuj s SER 181 Ca 0.00 -0.87 0.18 0.00 0.70 0.00 0.00 55.95 55.96 1cuj s SER 181 Cb 0.00 -0.36 0.32 0.00 -1.71 0.00 0.00 66.02 64.27 1cuj s SER 181 CO 0.00 -0.75 1.18 0.18 1.20 0.00 0.00 173.24 175.05 1cuj n LEU 182 N -1.59 2.50 -4.74 3.45 4.77 -1.26 -3.89 117.00 116.24 1cuj n LEU 182 Ca 0.03 -3.17 -0.40 0.00 -0.03 0.00 0.00 56.01 52.44 1cuj n LEU 182 Cb 0.62 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1cuj n LEU 182 CO 0.42 0.78 0.68 -0.63 -1.33 0.00 0.00 177.39 177.31 1cuj s ILE 183 N -2.91 4.15 -0.31 -0.08 -1.09 -1.26 -4.96 121.20 114.73 1cuj s ILE 183 Ca 0.33 2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 60.65 1cuj s ILE 183 Cb 0.29 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1cuj s ILE 183 CO 0.02 0.41 0.19 -0.69 -1.23 0.00 0.00 174.94 173.65 1cuj s VAL 184 N -0.72 4.98 0.41 2.92 1.01 -1.26 -4.04 120.40 123.69 1cuj s VAL 184 Ca 0.44 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1cuj s VAL 184 Cb -0.26 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1cuj s VAL 184 CO 0.32 0.09 0.04 0.00 0.00 0.00 0.00 175.10 175.55 1cuj s ALA 185 N 1.68 3.25 0.28 5.51 0.00 -1.26 -5.05 121.76 126.17 1cuj s ALA 185 Ca 0.06 -2.25 0.02 0.00 0.00 0.00 0.00 51.96 49.79 1cuj s ALA 185 Cb -0.17 0.03 0.62 0.00 0.00 0.00 0.00 23.12 23.60 1cuj s ALA 185 CO 0.09 -0.12 1.78 0.00 0.00 0.00 0.00 175.76 177.51 1cuj h ALA 186 N 1.71 1.49 -0.10 0.00 0.00 -1.98 -1.83 119.26 118.55 1cuj h ALA 186 Ca -0.44 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.57 1cuj h ALA 186 Cb 1.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cuj h ALA 186 CO 0.78 -0.00 0.20 -1.35 0.00 0.00 0.00 179.25 178.88 1cuj h PRO 187 N 0.77 0.00 0.00 0.00 0.11 -1.88 -1.05 132.00 129.95 1cuj h PRO 187 Ca 0.52 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 1cuj h PRO 187 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1cuj h PRO 187 CO -0.35 0.00 -0.12 1.25 -0.21 0.00 0.00 178.00 178.58 1cuj h HIS 188 N 0.00 0.00 -0.62 0.65 2.76 -1.61 -2.70 115.15 113.63 1cuj h HIS 188 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1cuj h HIS 188 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1cuj h HIS 188 CO 0.00 0.12 0.00 1.28 -1.30 0.00 0.00 177.93 178.03 1cuj n LEU 189 N -3.45 4.42 -2.16 0.26 4.32 -0.40 -4.54 117.00 115.46 1cuj n LEU 189 Ca -0.01 -2.23 -0.27 0.00 -0.02 0.00 0.00 56.01 53.48 1cuj n LEU 189 Cb 0.27 -0.55 0.03 0.00 -1.62 0.00 0.00 43.42 41.56 1cuj n LEU 189 CO 0.29 0.78 0.52 0.00 -1.22 0.00 0.00 177.39 177.77 1cuj n ALA 190 N 1.11 5.38 0.45 -1.18 0.00 -1.02 -4.62 120.51 120.64 1cuj n ALA 190 Ca 0.24 -3.77 0.12 0.00 0.00 0.00 0.00 53.44 50.03 1cuj n ALA 190 Cb 0.82 -0.73 0.22 0.00 0.00 0.00 0.00 19.45 19.75 1cuj n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cuj n TYR 191 N -0.74 0.43 -0.02 0.00 4.01 -1.26 -4.61 117.16 114.97 1cuj n TYR 191 Ca 0.48 -0.22 -0.09 0.00 -0.16 0.00 0.00 57.90 57.92 1cuj n TYR 191 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.86 1cuj n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1cuj h GLY 192 N 4.60 -0.10 0.30 2.72 0.00 -1.97 -1.64 103.07 106.97 1cuj h GLY 192 Ca 0.00 0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.67 1cuj h GLY 192 CO 0.00 -0.17 0.30 -2.55 0.00 0.00 0.00 176.54 174.12 1cuj h PRO 193 N -0.21 0.47 -0.74 4.80 0.11 -1.99 -1.99 132.00 132.46 1cuj h PRO 193 Ca 0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1cuj h PRO 193 Cb 0.38 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 1cuj h PRO 193 CO -0.30 0.31 0.42 -0.44 -0.21 0.00 0.00 178.00 177.79 1cuj h ASP 194 N 0.49 0.91 0.58 -2.05 3.32 -1.73 -2.00 116.42 115.94 1cuj h ASP 194 Ca 0.37 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1cuj h ASP 194 Cb 0.50 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1cuj h ASP 194 CO -0.34 0.73 -0.29 0.00 -1.72 0.00 0.00 179.24 177.62 1cuj h ALA 195 N 1.22 1.19 0.00 3.45 0.00 -0.87 -0.52 119.26 123.73 1cuj h ALA 195 Ca 0.26 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1cuj h ALA 195 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1cuj h ALA 195 CO -0.05 0.36 -0.69 0.00 0.00 0.00 0.00 179.25 178.87 1cuj h ARG 196 N 0.00 0.00 0.00 0.00 3.08 -0.93 -3.29 114.38 113.25 1cuj h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cuj h ARG 196 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1cuj h ARG 196 CO 0.04 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.79 1cuj n GLY 197 N 1.26 0.12 0.24 0.04 0.00 -0.79 -4.87 105.19 101.19 1cuj n GLY 197 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1cuj n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cuj h PRO 198 N 0.00 0.40 0.09 1.61 0.13 -1.72 -1.14 132.00 131.37 1cuj h PRO 198 Ca 0.00 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1cuj h PRO 198 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1cuj h PRO 198 CO 0.00 0.58 -0.04 0.00 -0.23 0.00 0.00 178.00 178.31 1cuj h ALA 199 N 1.44 -0.12 -0.36 -0.56 0.00 -1.38 -0.28 119.26 118.00 1cuj h ALA 199 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1cuj h ALA 199 Cb 0.55 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1cuj h ALA 199 CO 0.04 -0.36 0.11 -1.00 0.00 0.00 0.00 179.25 178.03 1cuj h PRO 200 N -0.52 0.51 -0.41 0.00 0.13 -1.76 -1.95 132.00 128.00 1cuj h PRO 200 Ca -0.01 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1cuj h PRO 200 Cb 0.43 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1cuj h PRO 200 CO 0.02 0.45 0.24 1.49 -0.23 0.00 0.00 178.00 179.97 1cuj h GLU 201 N 0.51 0.47 -0.24 0.86 4.81 -1.00 -0.42 114.58 119.56 1cuj h GLU 201 Ca 0.12 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1cuj h GLU 201 Cb 0.16 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1cuj h GLU 201 CO -0.01 0.31 0.12 0.35 -0.73 0.00 0.00 179.01 179.05 1cuj h PHE 202 N 0.48 0.34 -0.67 0.92 3.57 -0.68 -1.27 116.94 119.64 1cuj h PHE 202 Ca 0.16 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1cuj h PHE 202 Cb 0.01 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1cuj h PHE 202 CO -0.07 0.33 0.43 -0.07 -2.23 0.00 0.00 178.31 176.69 1cuj h LEU 203 N 0.26 0.78 -0.47 0.59 3.38 -1.08 -0.50 115.31 118.27 1cuj h LEU 203 Ca 0.08 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1cuj h LEU 203 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1cuj h LEU 203 CO -0.01 0.58 0.05 0.40 0.09 0.00 0.00 178.44 179.54 1cuj h ILE 204 N 0.90 1.25 -0.78 1.22 2.04 -0.99 -1.29 117.51 119.87 1cuj h ILE 204 Ca 0.24 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1cuj h ILE 204 Cb -0.08 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1cuj h ILE 204 CO -0.05 0.34 0.33 -0.08 0.00 0.00 0.00 178.15 178.69 1cuj h GLU 205 N 0.66 1.15 -0.10 2.37 4.81 -0.84 -0.99 114.58 121.64 1cuj h GLU 205 Ca 0.14 -0.19 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 1cuj h GLU 205 Cb 0.44 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1cuj h GLU 205 CO 0.02 0.92 -0.61 0.87 -0.73 0.00 0.00 179.01 179.48 1cuj h LYS 206 N 1.13 0.36 -0.21 1.92 1.79 -0.79 -0.55 116.57 120.22 1cuj h LYS 206 Ca 0.26 -0.25 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 1cuj h LYS 206 Cb 0.18 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1cuj h LYS 206 CO -0.03 0.86 -0.09 0.28 -1.08 0.00 0.00 179.45 179.39 1cuj h VAL 207 N 0.27 1.30 0.00 0.50 2.07 -0.98 -3.08 116.25 116.33 1cuj h VAL 207 Ca -0.01 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 1cuj h VAL 207 Cb 1.14 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1cuj h VAL 207 CO 0.10 0.35 -0.31 0.03 0.02 0.00 0.00 177.57 177.77 1cuj h ARG 208 N 0.15 0.00 -0.41 1.57 3.08 -1.05 0.29 114.38 118.01 1cuj h ARG 208 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1cuj h ARG 208 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1cuj h ARG 208 CO 0.03 0.31 0.22 0.00 -1.07 0.00 0.00 179.97 179.45 1cuj h ALA 209 N 1.69 1.62 0.00 0.04 0.00 -1.01 -3.18 119.26 118.42 1cuj h ALA 209 Ca -0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 1cuj h ALA 209 Cb 0.65 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1cuj h ALA 209 CO 0.04 0.32 -2.12 1.33 0.00 0.00 0.00 179.25 178.82 1cuj n VAL 210 N -4.43 1.06 0.00 0.00 0.24 -0.91 -5.11 118.33 109.18 1cuj n VAL 210 Ca 0.03 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1cuj n VAL 210 Cb 0.10 -0.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 1cuj n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1cuj n ARG 211 N -2.58 0.00 0.00 7.34 3.00 0.98 -5.07 116.66 120.33 1cuj n ARG 211 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.59 1cuj n ARG 211 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.46 1cuj n ARG 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1cuj n GLY 212 N -0.44 0.83 0.00 -0.13 0.00 -1.26 -4.74 105.19 99.44 1cuj n GLY 212 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1cuj n GLY 212 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06