#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cub n THR 18 N 0.00 0.01 -4.40 5.15 -2.24 -1.26 -4.66 114.28 106.88 1cub n THR 18 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1cub n THR 18 Cb 0.00 -0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 67.56 1cub n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cub s THR 19 N -2.89 1.48 -0.04 4.28 2.01 -1.26 -1.37 115.64 117.84 1cub s THR 19 Ca 0.18 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 1cub s THR 19 Cb 0.19 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.37 1cub s THR 19 CO 0.51 0.44 0.01 -0.13 -0.69 0.00 0.00 174.62 174.76 1cub s ARG 20 N 1.05 0.30 -0.37 4.92 1.81 -1.26 -5.00 118.95 120.40 1cub s ARG 20 Ca -0.05 0.16 0.10 0.00 -1.72 0.00 0.00 55.73 54.22 1cub s ARG 20 Cb -0.15 -0.62 0.44 0.00 -0.45 0.00 0.00 34.95 34.18 1cub s ARG 20 CO -0.03 -0.23 1.08 -0.25 -0.68 0.00 0.00 175.30 175.20 1cub n ASP 21 N 4.69 3.65 -0.21 0.23 8.00 -1.25 -2.15 116.55 129.50 1cub n ASP 21 Ca -0.16 -3.32 0.07 0.00 0.71 0.00 0.00 54.79 52.09 1cub n ASP 21 Cb 0.50 -0.46 0.34 0.00 -0.02 0.00 0.00 41.12 41.48 1cub n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1cub h ASP 22 N 2.62 0.70 -0.03 -2.24 3.32 -1.71 -0.98 116.42 118.10 1cub h ASP 22 Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1cub h ASP 22 Cb 1.12 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1cub h ASP 22 CO 0.69 0.44 -0.11 0.25 -1.72 0.00 0.00 179.24 178.79 1cub h LEU 23 N 0.79 0.14 -0.78 1.55 5.85 -1.91 0.25 115.31 121.20 1cub h LEU 23 Ca 0.34 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1cub h LEU 23 Cb 0.30 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1cub h LEU 23 CO -0.12 0.76 0.35 0.40 -0.34 0.00 0.00 178.44 179.49 1cub h ILE 24 N -0.46 1.25 0.00 4.05 2.04 -1.92 -3.04 117.51 119.43 1cub h ILE 24 Ca -0.01 -0.74 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 1cub h ILE 24 Cb 0.75 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1cub h ILE 24 CO 0.02 0.31 -0.53 0.78 0.00 0.00 0.00 178.15 178.73 1cub h ASN 25 N 1.11 0.00 -4.07 1.72 2.35 -1.24 -3.48 115.58 111.98 1cub h ASN 25 Ca 0.26 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.46 1cub h ASN 25 Cb 0.16 0.00 0.14 0.00 0.05 0.00 0.00 38.32 38.67 1cub h ASN 25 CO -0.03 0.29 0.58 -0.83 -1.65 0.00 0.00 177.43 175.79 1cub s GLY 26 N -4.41 2.88 -0.18 2.83 0.00 0.87 -4.99 107.32 104.31 1cub s GLY 26 Ca 0.03 1.30 -0.24 0.00 0.00 0.00 0.00 44.72 45.82 1cub s GLY 26 CO 0.74 1.79 0.75 -1.31 0.00 0.00 0.00 173.10 175.07 1cub s ASN 27 N -1.09 6.85 0.56 1.64 -0.87 -1.26 -4.94 114.94 115.83 1cub s ASN 27 Ca 0.75 1.04 0.25 0.00 -1.57 0.00 0.00 52.86 53.34 1cub s ASN 27 Cb -0.40 -2.41 1.49 0.00 -0.02 0.00 0.00 41.25 39.91 1cub s ASN 27 CO 0.45 -0.35 2.06 -1.28 -2.57 0.00 0.00 177.10 175.42 1cub h SER 28 N 7.38 0.00 1.11 -1.22 0.87 -1.94 0.83 113.55 120.58 1cub h SER 28 Ca -0.30 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1cub h SER 28 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1cub h SER 28 CO 0.81 0.00 -0.21 0.00 -0.53 0.00 0.00 176.83 176.90 1cub h ALA 29 N 1.78 0.97 -1.86 6.23 0.00 -1.92 -3.31 119.26 121.15 1cub h ALA 29 Ca 0.14 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 1cub h ALA 29 Cb 0.63 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.98 1cub h ALA 29 CO -0.00 0.26 -0.85 -1.13 0.00 0.00 0.00 179.25 177.53 1cub n SER 30 N -3.30 3.44 -4.77 0.00 3.41 0.28 -5.10 113.62 107.57 1cub n SER 30 Ca 0.01 -3.44 -0.41 0.00 -0.26 0.00 0.00 58.87 54.77 1cub n SER 30 Cb 0.46 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1cub n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cub s ALA 32 N -1.12 2.78 0.09 0.00 0.00 -1.26 -4.97 121.76 117.28 1cub s ALA 32 Ca 0.54 0.04 0.13 0.00 0.00 0.00 0.00 51.96 52.66 1cub s ALA 32 Cb -0.47 -3.15 0.20 0.00 0.00 0.00 0.00 23.12 19.69 1cub s ALA 32 CO 0.63 -1.09 1.50 -0.44 0.00 0.00 0.00 175.76 176.36 1cub h ASP 33 N -0.62 0.00 -3.61 0.00 3.32 -1.79 -3.43 116.42 110.29 1cub h ASP 33 Ca -0.44 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.08 1cub h ASP 33 Cb 1.21 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.43 1cub h ASP 33 CO 0.58 0.63 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.22 1cub s VAL 34 N -3.18 1.26 -0.15 -1.35 1.01 -1.09 -1.59 120.40 115.31 1cub s VAL 34 Ca 0.01 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1cub s VAL 34 Cb 0.10 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1cub s VAL 34 CO 0.75 0.38 -0.18 -0.63 0.00 0.00 0.00 175.10 175.43 1cub s ILE 35 N 0.39 1.78 -0.26 2.22 1.01 -0.67 -1.27 121.20 124.41 1cub s ILE 35 Ca -0.10 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1cub s ILE 35 Cb -0.14 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1cub s ILE 35 CO 0.03 0.50 0.04 0.12 0.00 0.00 0.00 174.94 175.62 1cub s PHE 36 N 1.19 3.07 -0.23 3.97 5.36 -0.22 -1.29 117.98 129.83 1cub s PHE 36 Ca 0.00 -0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 55.11 1cub s PHE 36 Cb -0.14 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.32 1cub s PHE 36 CO -0.08 -0.50 0.01 0.42 -1.46 0.00 0.00 175.22 173.62 1cub s ILE 37 N 1.53 3.86 -0.02 3.12 1.01 -0.56 -0.47 121.20 129.66 1cub s ILE 37 Ca 0.05 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1cub s ILE 37 Cb -0.16 -2.78 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1cub s ILE 37 CO 0.01 0.38 -0.13 -0.47 0.00 0.00 0.00 174.94 174.73 1cub s TYR 38 N 1.50 1.26 -0.18 3.97 5.04 -0.57 -2.03 117.35 126.34 1cub s TYR 38 Ca 0.06 -0.30 -0.04 0.00 -2.44 0.00 0.00 57.07 54.35 1cub s TYR 38 Cb -0.15 -0.85 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 1cub s TYR 38 CO 0.00 -0.09 -0.04 0.00 -1.34 0.00 0.00 175.55 174.09 1cub s ALA 39 N -0.05 2.93 0.92 3.97 0.00 -0.66 -1.16 121.76 127.70 1cub s ALA 39 Ca -0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1cub s ALA 39 Cb -0.08 -1.63 0.15 0.00 0.00 0.00 0.00 23.12 21.56 1cub s ALA 39 CO 0.01 -0.05 1.18 -0.98 0.00 0.00 0.00 175.76 175.91 1cub s ARG 40 N 0.84 1.09 0.83 0.00 1.70 -1.26 -2.13 118.95 120.01 1cub s ARG 40 Ca -0.01 0.07 -0.08 0.00 -0.47 0.00 0.00 55.73 55.24 1cub s ARG 40 Cb -0.15 -1.85 0.15 0.00 -0.57 0.00 0.00 34.95 32.54 1cub s ARG 40 CO 0.02 -2.19 1.14 0.20 -1.08 0.00 0.00 175.30 173.39 1cub s GLY 41 N -4.35 1.76 0.35 3.88 0.00 -1.20 -2.80 107.32 104.96 1cub s GLY 41 Ca 0.66 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 1cub s GLY 41 CO 0.52 -0.78 1.47 -0.56 0.00 0.00 0.00 173.10 173.76 1cub s SER 42 N -4.79 6.43 0.00 1.64 0.01 -1.26 -2.76 113.70 112.97 1cub s SER 42 Ca 0.69 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.91 1cub s SER 42 Cb -0.05 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1cub s SER 42 CO 0.48 -0.82 0.00 0.41 0.41 0.00 0.00 173.24 173.72 1cub n THR 43 N 0.88 0.00 -1.92 1.44 -1.04 -0.51 -4.99 114.28 108.14 1cub n THR 43 Ca 0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 1cub n THR 43 Cb 0.39 -0.58 0.01 0.00 -1.82 0.00 0.00 70.33 68.33 1cub n THR 43 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1cub s GLU 44 N -1.17 3.39 0.53 -2.82 2.02 -1.11 -5.05 118.70 114.49 1cub s GLU 44 Ca 0.00 0.97 -0.06 0.00 0.02 0.00 0.00 54.97 55.89 1cub s GLU 44 Cb 0.00 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 1cub s GLU 44 CO 0.00 -0.74 0.86 0.95 0.02 0.00 0.00 175.26 176.35 1cub s THR 45 N -2.85 4.60 0.00 3.63 -4.23 -1.26 -4.87 115.64 110.67 1cub s THR 45 Ca 0.59 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 1cub s THR 45 Cb -0.13 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.93 1cub s THR 45 CO 0.46 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1cub n GLY 46 N -2.42 1.99 0.07 3.99 0.00 -1.26 -1.70 105.19 105.85 1cub n GLY 46 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.60 1cub n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cub n ASN 47 N -1.07 1.49 -0.01 1.61 2.04 -0.79 -4.73 115.26 113.81 1cub n ASN 47 Ca 0.00 -1.41 0.01 0.00 -0.44 0.00 0.00 54.58 52.74 1cub n ASN 47 Cb 0.00 -0.01 -0.04 0.00 -2.53 0.00 0.00 39.78 37.20 1cub n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1cub n LEU 48 N -0.08 0.00 0.00 -4.53 4.77 -0.47 -3.71 117.00 112.97 1cub n LEU 48 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1cub n LEU 48 Cb 0.12 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1cub n LEU 48 CO 0.01 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1cub n GLY 49 N 2.38 1.14 0.08 -0.72 0.00 -0.69 -2.62 105.19 104.77 1cub n GLY 49 Ca -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 1cub n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1cub h THR 50 N 0.00 1.62 0.04 2.61 1.35 -1.98 -3.39 112.91 113.16 1cub h THR 50 Ca 0.00 -3.20 -0.35 0.00 -0.55 0.00 0.00 66.41 62.31 1cub h THR 50 Cb 0.00 2.83 -0.05 0.00 -1.73 0.00 0.00 68.15 69.20 1cub h THR 50 CO 0.00 0.92 -2.09 0.18 -0.25 0.00 0.00 175.52 174.28 1cub n LEU 51 N -3.45 1.62 -0.23 3.87 4.77 -1.26 -4.60 117.00 117.72 1cub n LEU 51 Ca -0.03 0.16 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1cub n LEU 51 Cb 0.95 -0.35 0.14 0.00 -2.33 0.00 0.00 43.42 41.83 1cub n LEU 51 CO 0.49 0.66 0.87 1.23 -1.33 0.00 0.00 177.39 179.31 1cub h GLY 52 N 2.62 0.84 1.35 -0.72 0.00 -1.70 -2.64 103.07 102.82 1cub h GLY 52 Ca -0.44 0.04 0.01 0.00 0.00 0.00 0.00 47.33 46.94 1cub h GLY 52 CO 0.04 -0.22 0.43 -2.55 0.00 0.00 0.00 176.54 174.24 1cub h PRO 53 N 0.17 0.84 -0.47 4.80 0.11 -1.81 -1.13 132.00 134.53 1cub h PRO 53 Ca 0.38 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 1cub h PRO 53 Cb 0.63 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1cub h PRO 53 CO -0.55 0.56 -0.22 0.77 -0.21 0.00 0.00 178.00 178.35 1cub h SER 54 N 0.87 1.00 -0.30 -2.05 0.02 -1.75 -2.00 113.55 109.35 1cub h SER 54 Ca 0.24 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1cub h SER 54 Cb -0.09 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.16 1cub h SER 54 CO -0.05 1.18 0.07 0.40 -1.14 0.00 0.00 176.83 177.29 1cub h ILE 55 N 0.82 1.22 -0.51 3.27 2.04 -1.33 -3.15 117.51 119.86 1cub h ILE 55 Ca 0.10 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1cub h ILE 55 Cb 0.80 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1cub h ILE 55 CO 0.07 0.24 0.28 0.00 0.00 0.00 0.00 178.15 178.74 1cub h ALA 56 N 0.90 0.66 -0.11 1.87 0.00 -1.10 -2.02 119.26 119.46 1cub h ALA 56 Ca 0.09 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1cub h ALA 56 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cub h ALA 56 CO 0.00 -0.06 -0.18 0.66 0.00 0.00 0.00 179.25 179.68 1cub h SER 57 N 0.54 0.17 -0.13 0.00 4.64 -1.36 -0.72 113.55 116.67 1cub h SER 57 Ca 0.22 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.31 1cub h SER 57 Cb 0.10 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1cub h SER 57 CO -0.14 0.36 -0.62 0.78 -0.87 0.00 0.00 176.83 176.35 1cub h ASN 58 N 0.16 0.85 -0.44 4.97 2.35 -1.45 -2.47 115.58 119.55 1cub h ASN 58 Ca 0.03 -0.48 -0.09 0.00 -0.55 0.00 0.00 56.30 55.21 1cub h ASN 58 Cb 0.42 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1cub h ASN 58 CO 0.03 1.26 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.95 1cub h LEU 59 N 0.55 0.86 -1.01 1.61 3.38 -0.76 -2.73 115.31 117.21 1cub h LEU 59 Ca -0.01 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1cub h LEU 59 Cb 1.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1cub h LEU 59 CO 0.13 0.95 -0.30 -0.33 0.09 0.00 0.00 178.44 178.97 1cub h GLU 60 N 0.80 0.34 -0.58 1.13 5.08 -1.10 -0.90 114.58 119.35 1cub h GLU 60 Ca 0.14 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1cub h GLU 60 Cb 0.55 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1cub h GLU 60 CO 0.03 0.62 -0.01 0.77 -1.00 0.00 0.00 179.01 179.42 1cub h SER 61 N 0.30 1.02 0.01 1.42 0.02 -1.16 0.12 113.55 115.28 1cub h SER 61 Ca 0.04 -0.31 -0.16 0.00 -0.84 0.00 0.00 61.79 60.52 1cub h SER 61 Cb 0.69 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.97 1cub h SER 61 CO 0.05 1.08 -0.63 0.00 -1.14 0.00 0.00 176.83 176.19 1cub h ALA 62 N 0.97 0.07 0.00 3.77 0.00 -1.26 -3.37 119.26 119.45 1cub h ALA 62 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1cub h ALA 62 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cub h ALA 62 CO 0.03 0.37 -1.18 1.19 0.00 0.00 0.00 179.25 179.66 1cub n PHE 63 N -4.20 0.00 0.00 0.00 3.72 -0.36 -5.10 117.46 111.52 1cub n PHE 63 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 1cub n PHE 63 Cb 0.69 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 1cub n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cub n GLY 64 N 1.43 -0.85 0.34 1.37 0.00 0.43 -3.63 105.19 104.29 1cub n GLY 64 Ca 0.02 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.67 1cub n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cub h LYS 65 N 0.00 0.24 -0.01 1.61 1.79 -1.92 -0.99 116.57 117.30 1cub h LYS 65 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1cub h LYS 65 Cb 0.00 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1cub h LYS 65 CO 0.00 0.16 -0.19 -0.25 -1.08 0.00 0.00 179.45 178.09 1cub n ASP 66 N -4.46 1.54 0.01 0.86 8.00 -1.26 -4.09 116.55 117.14 1cub n ASP 66 Ca 0.07 -1.28 0.11 0.00 0.71 0.00 0.00 54.79 54.40 1cub n ASP 66 Cb 0.35 0.14 0.14 0.00 -0.02 0.00 0.00 41.12 41.72 1cub n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cub n GLY 67 N 1.31 -1.20 2.93 0.44 0.00 -0.38 -4.65 105.19 103.65 1cub n GLY 67 Ca 0.14 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1cub n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cub s VAL 68 N -3.03 -0.01 -0.17 1.61 0.11 -1.22 -2.68 120.40 115.01 1cub s VAL 68 Ca 0.09 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.14 1cub s VAL 68 Cb 0.17 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.85 1cub s VAL 68 CO 0.75 0.02 -0.01 0.26 -3.33 0.00 0.00 175.10 172.79 1cub s TRP 69 N 0.31 3.08 -0.21 1.54 0.51 -0.40 -4.92 118.94 118.86 1cub s TRP 69 Ca -0.02 -0.23 -0.08 0.00 -2.12 0.00 0.00 56.10 53.65 1cub s TRP 69 Cb -0.03 -2.00 -0.04 0.00 -0.81 0.00 0.00 33.47 30.59 1cub s TRP 69 CO -0.01 -0.01 0.07 0.42 -0.51 0.00 0.00 176.95 176.91 1cub s ILE 70 N 0.43 4.70 -0.12 2.03 -1.09 -1.26 -1.06 121.20 124.84 1cub s ILE 70 Ca -0.02 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.33 1cub s ILE 70 Cb -0.14 -3.15 0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1cub s ILE 70 CO 0.02 0.41 0.01 -1.58 -1.23 0.00 0.00 174.94 172.57 1cub s GLN 71 N 0.81 0.69 0.43 2.79 2.00 0.38 -1.70 119.66 125.06 1cub s GLN 71 Ca 0.04 -0.10 -0.06 0.00 -2.00 0.00 0.00 55.36 53.25 1cub s GLN 71 Cb -0.13 -1.41 -0.04 0.00 0.80 0.00 0.00 33.01 32.23 1cub s GLN 71 CO 0.02 -0.42 0.74 0.20 -0.50 0.00 0.00 175.29 175.33 1cub s GLY 72 N 1.92 1.60 -0.56 2.59 0.00 -0.91 -1.51 107.32 110.45 1cub s GLY 72 Ca 0.03 -0.49 -0.22 0.00 0.00 0.00 0.00 44.72 44.04 1cub s GLY 72 CO -0.06 -0.34 0.84 0.14 0.00 0.00 0.00 173.10 173.68 1cub s VAL 73 N -2.56 4.55 0.00 1.40 1.01 -0.31 -4.85 120.40 119.63 1cub s VAL 73 Ca 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1cub s VAL 73 Cb -0.10 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.79 1cub s VAL 73 CO 0.40 -1.09 0.00 0.61 0.00 0.00 0.00 175.10 175.02 1cub n GLY 74 N 5.18 1.10 7.00 4.51 0.00 -1.26 -4.78 105.19 116.94 1cub n GLY 74 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1cub n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cub n GLY 75 N 5.00 3.38 0.05 -0.02 0.00 -1.26 -1.75 105.19 110.59 1cub n GLY 75 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1cub n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cub n ALA 76 N 11.08 1.56 -2.65 4.61 0.00 -1.26 -4.55 120.51 129.30 1cub n ALA 76 Ca 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1cub n ALA 76 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1cub n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1cub s TYR 77 N -3.13 2.47 -0.77 0.00 5.04 -0.72 -4.43 117.35 115.82 1cub s TYR 77 Ca 0.05 -0.14 0.25 0.00 -2.44 0.00 0.00 57.07 54.79 1cub s TYR 77 Cb 0.08 -4.47 0.49 0.00 0.35 0.00 0.00 41.96 38.41 1cub s TYR 77 CO 0.28 -1.84 1.42 0.54 -1.34 0.00 0.00 175.55 174.61 1cub n ARG 78 N 8.63 0.19 -3.65 4.97 5.12 -1.26 -4.78 116.66 125.88 1cub n ARG 78 Ca 0.02 0.07 -0.22 0.00 -1.93 0.00 0.00 57.85 55.78 1cub n ARG 78 Cb 0.48 -1.63 0.06 0.00 -1.16 0.00 0.00 32.46 30.20 1cub n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cub n ALA 79 N -1.72 -1.75 -2.64 7.54 0.00 -1.26 -4.74 120.51 115.94 1cub n ALA 79 Ca 0.04 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1cub n ALA 79 Cb 0.40 -3.21 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 1cub n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1cub s THR 80 N -3.45 4.65 0.26 0.00 2.01 -1.26 -1.42 115.64 116.42 1cub s THR 80 Ca 0.23 1.97 -0.03 0.00 0.31 0.00 0.00 61.69 64.17 1cub s THR 80 Cb -0.11 -4.27 0.26 0.00 0.01 0.00 0.00 72.50 68.39 1cub s THR 80 CO 0.78 -0.11 1.67 0.25 -0.69 0.00 0.00 174.62 176.52 1cub h LEU 81 N 8.93 -0.03 -2.39 4.42 5.85 -1.94 -1.89 115.31 128.26 1cub h LEU 81 Ca -0.24 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1cub h LEU 81 Cb 1.10 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1cub h LEU 81 CO 0.93 -0.08 -0.03 1.23 -0.34 0.00 0.00 178.44 180.15 1cub h GLY 82 N 0.24 0.00 2.00 3.75 0.00 -2.02 -2.18 103.07 104.85 1cub h GLY 82 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1cub h GLY 82 CO -0.56 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.20 1cub n ASP 83 N -3.56 0.37 0.32 0.19 8.00 -0.71 -2.34 116.55 118.80 1cub n ASP 83 Ca -0.02 0.60 0.19 0.00 0.71 0.00 0.00 54.79 56.26 1cub n ASP 83 Cb 0.13 -0.67 1.06 0.00 -0.02 0.00 0.00 41.12 41.62 1cub n ASP 83 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1cub h ASN 84 N 0.00 0.00 0.40 -2.24 2.35 -1.55 -2.38 115.58 112.17 1cub h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cub h ASN 84 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1cub h ASN 84 CO 0.00 0.01 -0.34 0.00 -1.65 0.00 0.00 177.43 175.45 1cub n ALA 85 N -2.19 3.22 -1.37 -0.83 0.00 -0.99 -4.39 120.51 113.96 1cub n ALA 85 Ca -0.03 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.73 1cub n ALA 85 Cb 0.09 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.45 1cub n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cub s LEU 86 N -2.74 3.25 0.26 0.00 1.43 -0.91 -4.89 118.68 115.08 1cub s LEU 86 Ca 0.18 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1cub s LEU 86 Cb 0.19 -4.55 0.36 0.00 0.03 0.00 0.00 46.19 42.22 1cub s LEU 86 CO 0.59 -1.92 1.56 -0.65 0.23 0.00 0.00 176.35 176.16 1cub h PRO 87 N -0.45 -0.01 -0.09 1.29 0.11 -1.90 0.05 132.00 131.02 1cub h PRO 87 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1cub h PRO 87 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1cub h PRO 87 CO 0.52 -0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.84 1cub n ARG 88 N -5.56 1.62 -0.66 1.05 1.74 -1.26 -4.92 116.66 108.67 1cub n ARG 88 Ca 0.13 -0.91 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 1cub n ARG 88 Cb 0.45 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1cub n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cub n GLY 89 N 1.12 0.71 3.84 -0.13 0.00 0.00 -4.84 105.19 105.90 1cub n GLY 89 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 1cub n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1cub s THR 90 N -2.35 0.00 0.45 2.61 -1.32 -1.16 -4.26 115.64 109.62 1cub s THR 90 Ca 0.00 -0.65 -0.14 0.00 -1.21 0.00 0.00 61.69 59.69 1cub s THR 90 Cb 0.00 -2.66 -0.07 0.00 -1.51 0.00 0.00 72.50 68.26 1cub s THR 90 CO 0.00 0.00 0.87 -0.94 -2.21 0.00 0.00 174.62 172.34 1cub s SER 91 N -3.25 6.59 0.39 8.08 1.04 -1.26 -4.80 113.70 120.48 1cub s SER 91 Ca 0.19 1.36 0.16 0.00 0.48 0.00 0.00 55.95 58.14 1cub s SER 91 Cb -0.03 -2.42 0.81 0.00 0.10 0.00 0.00 66.02 64.49 1cub s SER 91 CO 0.05 -0.48 1.84 0.77 0.98 0.00 0.00 173.24 176.40 1cub h SER 92 N 1.15 0.00 -0.37 7.02 4.64 -2.00 -2.41 113.55 121.59 1cub h SER 92 Ca -0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 1cub h SER 92 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1cub h SER 92 CO 0.63 0.34 -0.28 0.00 -0.87 0.00 0.00 176.83 176.65 1cub h ALA 93 N 1.66 0.72 -0.57 5.18 0.00 -1.93 -2.25 119.26 122.06 1cub h ALA 93 Ca -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1cub h ALA 93 Cb 0.68 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1cub h ALA 93 CO 0.04 0.66 -0.03 0.00 0.00 0.00 0.00 179.25 179.93 1cub h ALA 94 N 0.92 0.87 -0.42 0.00 0.00 -1.66 -1.86 119.26 117.10 1cub h ALA 94 Ca 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1cub h ALA 94 Cb 0.85 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1cub h ALA 94 CO 0.07 0.66 0.21 0.82 0.00 0.00 0.00 179.25 181.01 1cub h ILE 95 N 0.92 1.17 -0.75 0.00 2.04 -1.37 -1.46 117.51 118.06 1cub h ILE 95 Ca 0.16 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1cub h ILE 95 Cb 0.57 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1cub h ILE 95 CO 0.03 0.18 0.49 0.03 0.00 0.00 0.00 178.15 178.89 1cub h ARG 96 N 0.54 0.96 -0.04 2.37 -0.00 -1.24 -0.51 114.38 116.46 1cub h ARG 96 Ca 0.15 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.56 1cub h ARG 96 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 29.97 29.84 1cub h ARG 96 CO -0.02 0.64 -0.00 1.49 0.00 0.00 0.00 179.97 182.08 1cub h GLU 97 N 0.99 0.07 -0.32 0.04 4.57 -0.79 -1.56 114.58 117.59 1cub h GLU 97 Ca 0.28 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.31 1cub h GLU 97 Cb -0.08 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1cub h GLU 97 CO -0.06 0.36 -0.30 1.98 -1.18 0.00 0.00 179.01 179.80 1cub h MET 98 N -0.23 0.68 -0.62 1.92 4.05 -1.08 -2.27 114.93 117.38 1cub h MET 98 Ca 0.01 -0.30 0.03 0.00 -0.28 0.00 0.00 59.70 59.16 1cub h MET 98 Cb 0.33 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 1cub h MET 98 CO 0.00 0.90 0.37 -0.07 0.23 0.00 0.00 176.91 178.34 1cub h LEU 99 N 0.58 0.60 -1.44 3.39 3.38 -1.06 -1.80 115.31 118.95 1cub h LEU 99 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1cub h LEU 99 Cb 0.80 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1cub h LEU 99 CO 0.07 0.41 0.18 1.23 0.09 0.00 0.00 178.44 180.42 1cub h GLY 100 N 0.73 0.59 1.21 0.83 0.00 -0.94 -1.96 103.07 103.53 1cub h GLY 100 Ca 0.26 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 1cub h GLY 100 CO -0.12 0.26 -0.35 1.41 0.00 0.00 0.00 176.54 177.74 1cub h LEU 101 N 0.56 0.92 -0.48 3.11 3.38 -0.77 -0.28 115.31 121.74 1cub h LEU 101 Ca 0.14 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1cub h LEU 101 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1cub h LEU 101 CO -0.02 1.18 0.04 -0.26 0.09 0.00 0.00 178.44 179.47 1cub h PHE 102 N 0.73 0.89 -0.76 1.13 0.04 -1.13 -1.14 116.94 116.70 1cub h PHE 102 Ca 0.07 -0.14 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 1cub h PHE 102 Cb 0.92 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.80 1cub h PHE 102 CO 0.05 0.83 0.30 1.96 -0.60 0.00 0.00 178.31 180.85 1cub h GLN 103 N 0.69 1.13 -0.61 1.51 4.20 -1.25 -1.88 115.11 118.91 1cub h GLN 103 Ca 0.14 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 1cub h GLN 103 Cb 0.45 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1cub h GLN 103 CO 0.02 0.92 0.06 0.37 -0.67 0.00 0.00 178.83 179.52 1cub h GLN 104 N 1.10 1.01 -0.58 1.46 4.15 -0.77 -1.32 115.11 120.17 1cub h GLN 104 Ca 0.25 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 1cub h GLN 104 Cb 0.22 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1cub h GLN 104 CO -0.02 0.96 0.01 0.00 -1.93 0.00 0.00 178.83 177.85 1cub h ALA 105 N 1.11 0.78 -0.47 3.38 0.00 -0.89 -0.21 119.26 122.97 1cub h ALA 105 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1cub h ALA 105 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1cub h ALA 105 CO 0.02 0.61 -0.08 -0.97 0.00 0.00 0.00 179.25 178.83 1cub h ASN 106 N 0.91 0.81 0.02 0.00 -1.24 -1.14 -0.06 115.58 114.89 1cub h ASN 106 Ca 0.17 -0.23 -0.12 0.00 0.71 0.00 0.00 56.30 56.83 1cub h ASN 106 Cb 0.54 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 39.38 1cub h ASN 106 CO 0.03 0.92 -0.47 0.74 -1.29 0.00 0.00 177.43 177.35 1cub h THR 107 N 0.75 1.50 -0.05 -3.57 2.02 -1.10 -3.19 112.91 109.27 1cub h THR 107 Ca 0.13 -2.11 -0.22 0.00 0.77 0.00 0.00 66.41 64.98 1cub h THR 107 Cb 0.56 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1cub h THR 107 CO 0.03 0.60 -0.87 0.50 0.37 0.00 0.00 175.52 176.15 1cub h LYS 108 N -0.34 0.52 -2.28 6.66 3.64 -1.04 -3.39 116.57 120.35 1cub h LYS 108 Ca -0.07 -0.49 -0.58 0.00 -1.27 0.00 0.00 60.65 58.24 1cub h LYS 108 Cb 1.23 0.13 -0.39 0.00 -0.41 0.00 0.00 32.23 32.79 1cub h LYS 108 CO 0.09 1.13 -0.93 0.00 -2.27 0.00 0.00 179.45 177.47 1cub h PRO 110 N 4.75 0.00 -0.02 0.00 0.13 -1.71 -2.31 132.00 132.84 1cub h PRO 110 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1cub h PRO 110 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1cub h PRO 110 CO 0.51 0.00 -0.16 -0.25 -0.23 0.00 0.00 178.00 177.87 1cub n ASP 111 N -3.32 2.48 -4.79 1.44 8.00 -1.26 -4.97 116.55 114.12 1cub n ASP 111 Ca -0.01 -1.75 -0.36 0.00 0.71 0.00 0.00 54.79 53.38 1cub n ASP 111 Cb 0.27 0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.47 1cub n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cub s ALA 112 N -2.17 3.12 -0.05 2.24 0.00 -0.87 -5.02 121.76 119.01 1cub s ALA 112 Ca 0.26 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.65 1cub s ALA 112 Cb 0.19 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 1cub s ALA 112 CO 0.40 -0.07 0.55 0.99 0.00 0.00 0.00 175.76 177.63 1cub s THR 113 N -1.69 5.04 0.11 0.00 2.01 -0.62 -4.94 115.64 115.54 1cub s THR 113 Ca 0.56 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.70 1cub s THR 113 Cb -0.20 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1cub s THR 113 CO 0.25 0.37 0.27 -0.76 -0.69 0.00 0.00 174.62 174.06 1cub s LEU 114 N 0.18 4.33 0.01 4.42 1.43 -0.91 -1.67 118.68 126.47 1cub s LEU 114 Ca 0.30 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1cub s LEU 114 Cb -0.17 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.04 1cub s LEU 114 CO 0.15 0.10 0.04 0.27 0.23 0.00 0.00 176.35 177.14 1cub s ILE 115 N -1.63 0.08 0.15 -0.59 -4.36 -0.41 -0.86 121.20 113.58 1cub s ILE 115 Ca 0.36 -0.69 -0.02 0.00 -0.26 0.00 0.00 60.65 60.04 1cub s ILE 115 Cb -0.12 -0.30 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 1cub s ILE 115 CO 0.28 -0.38 0.09 0.00 0.24 0.00 0.00 174.94 175.17 1cub s ALA 116 N -1.20 0.86 0.12 2.27 0.00 -0.78 -1.49 121.76 121.54 1cub s ALA 116 Ca -0.13 -1.47 -0.26 0.00 0.00 0.00 0.00 51.96 50.10 1cub s ALA 116 Cb -0.08 0.98 0.07 0.00 0.00 0.00 0.00 23.12 24.10 1cub s ALA 116 CO 0.00 -0.52 0.93 0.20 0.00 0.00 0.00 175.76 176.37 1cub s GLY 117 N -3.07 -0.29 -0.11 0.00 0.00 -0.86 -1.48 107.32 101.52 1cub s GLY 117 Ca 0.27 0.31 -0.30 0.00 0.00 0.00 0.00 44.72 45.00 1cub s GLY 117 CO 0.04 0.08 0.96 -0.32 0.00 0.00 0.00 173.10 173.86 1cub s GLY 118 N -2.84 -0.34 -0.07 0.20 0.00 -0.77 -1.65 107.32 101.85 1cub s GLY 118 Ca 0.10 1.65 0.04 0.00 0.00 0.00 0.00 44.72 46.51 1cub s GLY 118 CO -0.00 0.77 -0.19 -0.47 0.00 0.00 0.00 173.10 173.21 1cub s TYR 119 N -1.84 1.99 0.00 1.90 5.04 -0.90 -1.22 117.35 122.32 1cub s TYR 119 Ca 0.01 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 1cub s TYR 119 Cb -0.01 -1.35 0.00 0.00 0.35 0.00 0.00 41.96 40.95 1cub s TYR 119 CO -0.02 -0.27 0.00 0.45 -1.34 0.00 0.00 175.55 174.37 1cub n SER 120 N 3.39 0.00 -0.10 4.32 2.88 -0.34 -0.85 113.62 122.91 1cub n SER 120 Ca -0.19 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.52 1cub n SER 120 Cb 0.53 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.56 1cub n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1cub h GLN 121 N 0.00 0.25 0.00 -1.46 4.15 -1.85 0.18 115.11 116.38 1cub h GLN 121 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1cub h GLN 121 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1cub h GLN 121 CO 0.00 0.17 -0.20 0.78 -1.93 0.00 0.00 178.83 177.65 1cub h GLY 122 N 0.26 0.00 1.16 2.39 0.00 -0.82 -0.09 103.07 105.96 1cub h GLY 122 Ca 0.33 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.47 1cub h GLY 122 CO -0.07 0.00 -0.53 0.00 0.00 0.00 0.00 176.54 175.94 1cub h ALA 123 N 1.80 0.48 -0.41 3.60 0.00 -0.62 -1.09 119.26 123.02 1cub h ALA 123 Ca -0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1cub h ALA 123 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1cub h ALA 123 CO 0.03 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.76 1cub h ALA 124 N 0.70 0.88 -0.31 0.00 0.00 -1.09 -2.05 119.26 117.39 1cub h ALA 124 Ca 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1cub h ALA 124 Cb 1.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1cub h ALA 124 CO 0.12 0.63 0.11 1.25 0.00 0.00 0.00 179.25 181.36 1cub h LEU 125 N 0.70 0.44 -0.74 0.00 5.85 -0.96 -1.49 115.31 119.11 1cub h LEU 125 Ca 0.10 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1cub h LEU 125 Cb 0.71 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1cub h LEU 125 CO 0.05 0.51 0.48 0.00 -0.34 0.00 0.00 178.44 179.15 1cub h ALA 126 N 0.95 0.95 -0.43 1.25 0.00 -1.04 -1.59 119.26 119.35 1cub h ALA 126 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1cub h ALA 126 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1cub h ALA 126 CO -0.01 0.33 0.07 0.00 0.00 0.00 0.00 179.25 179.64 1cub h ALA 127 N 1.28 0.57 -0.47 0.00 0.00 -1.15 -1.82 119.26 117.67 1cub h ALA 127 Ca 0.28 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1cub h ALA 127 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1cub h ALA 127 CO -0.07 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.44 1cub h ALA 128 N 0.94 0.64 -0.30 0.00 0.00 -1.03 -2.14 119.26 117.37 1cub h ALA 128 Ca 0.13 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1cub h ALA 128 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1cub h ALA 128 CO 0.01 0.45 -0.02 0.77 0.00 0.00 0.00 179.25 180.46 1cub h SER 129 N 0.69 0.54 -0.48 0.00 0.02 -1.29 -2.41 113.55 110.62 1cub h SER 129 Ca 0.13 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1cub h SER 129 Cb 0.53 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1cub h SER 129 CO 0.03 0.73 0.20 0.40 -1.14 0.00 0.00 176.83 177.05 1cub h ILE 130 N 0.33 1.20 -0.41 3.27 2.04 -1.29 -2.19 117.51 120.46 1cub h ILE 130 Ca 0.08 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 1cub h ILE 130 Cb 0.47 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1cub h ILE 130 CO 0.02 0.25 -0.10 -0.08 0.00 0.00 0.00 178.15 178.24 1cub h GLU 131 N 0.76 0.79 0.00 2.37 4.81 -1.22 -3.13 114.58 118.95 1cub h GLU 131 Ca 0.18 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1cub h GLU 131 Cb 0.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1cub h GLU 131 CO -0.01 0.92 0.00 -0.25 -0.73 0.00 0.00 179.01 178.93 1cub n ASP 132 N -4.32 0.57 -4.72 1.04 9.92 -0.92 -4.88 116.55 113.23 1cub n ASP 132 Ca -0.01 0.57 -0.35 0.00 -0.53 0.00 0.00 54.79 54.47 1cub n ASP 132 Cb 0.36 -0.72 0.09 0.00 -0.64 0.00 0.00 41.12 40.21 1cub n ASP 132 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1cub s LEU 133 N -4.11 3.38 0.36 0.64 1.43 -0.84 -4.97 118.68 114.56 1cub s LEU 133 Ca 0.10 2.40 -0.27 0.00 -1.03 0.00 0.00 54.13 55.33 1cub s LEU 133 Cb 0.13 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.67 1cub s LEU 133 CO 0.53 -2.18 1.19 -0.62 0.23 0.00 0.00 176.35 175.49 1cub s ASP 134 N -1.91 6.71 0.30 2.29 2.15 -1.26 -4.87 116.67 120.09 1cub s ASP 134 Ca 0.76 2.42 0.06 0.00 0.43 0.00 0.00 52.55 56.21 1cub s ASP 134 Cb -0.30 -2.63 0.75 0.00 -0.30 0.00 0.00 42.92 40.44 1cub s ASP 134 CO 0.44 -0.55 1.75 0.28 -0.17 0.00 0.00 175.17 176.92 1cub h SER 135 N 3.03 0.67 -0.65 -0.34 0.02 -1.96 -2.35 113.55 111.96 1cub h SER 135 Ca -0.48 0.11 0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1cub h SER 135 Cb 1.23 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 1cub h SER 135 CO 0.64 0.19 0.43 0.00 -1.14 0.00 0.00 176.83 176.95 1cub h ALA 136 N 1.66 1.73 0.16 3.77 0.00 -2.01 -2.36 119.26 122.21 1cub h ALA 136 Ca 0.58 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.15 1cub h ALA 136 Cb 0.97 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1cub h ALA 136 CO -0.42 0.18 -1.55 0.82 0.00 0.00 0.00 179.25 178.28 1cub h ILE 137 N 0.70 1.02 -1.00 0.00 2.04 -1.82 -3.35 117.51 115.10 1cub h ILE 137 Ca 0.27 -2.47 0.15 0.00 1.00 0.00 0.00 64.86 63.81 1cub h ILE 137 Cb 0.21 2.78 -0.09 0.00 -0.74 0.00 0.00 36.82 38.97 1cub h ILE 137 CO -0.08 0.78 0.62 -0.09 0.00 0.00 0.00 178.15 179.38 1cub h ARG 138 N -0.09 0.86 0.00 2.37 2.43 -1.32 -0.89 114.38 117.74 1cub h ARG 138 Ca -0.31 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1cub h ARG 138 Cb 1.93 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 1cub h ARG 138 CO 0.13 0.57 0.00 -0.25 -1.51 0.00 0.00 179.97 178.91 1cub n ASP 139 N -4.67 0.00 -0.09 -3.80 8.00 -0.90 -2.09 116.55 113.00 1cub n ASP 139 Ca 0.21 0.50 0.13 0.00 0.71 0.00 0.00 54.79 56.33 1cub n ASP 139 Cb 0.45 -0.50 0.36 0.00 -0.02 0.00 0.00 41.12 41.42 1cub n ASP 139 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cub n LYS 140 N -1.50 0.34 -2.70 -1.24 5.02 -0.34 -4.74 118.16 113.01 1cub n LYS 140 Ca 0.03 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.72 1cub n LYS 140 Cb 0.13 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1cub n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1cub s ILE 141 N -2.79 4.11 0.31 -0.18 1.01 -0.89 -2.14 121.20 120.64 1cub s ILE 141 Ca 0.17 0.37 0.17 0.00 0.00 0.00 0.00 60.65 61.37 1cub s ILE 141 Cb 0.18 -4.71 0.14 0.00 0.01 0.00 0.00 42.46 38.08 1cub s ILE 141 CO 0.60 -1.42 1.84 0.00 0.00 0.00 0.00 174.94 175.96 1cub h ALA 142 N 9.60 1.23 -1.75 9.38 0.00 -1.29 -3.46 119.26 132.96 1cub h ALA 142 Ca -0.27 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1cub h ALA 142 Cb 1.06 -0.05 -0.22 0.00 0.00 0.00 0.00 17.79 18.58 1cub h ALA 142 CO 1.18 0.42 0.38 0.20 0.00 0.00 0.00 179.25 181.42 1cub s GLY 143 N -4.31 -0.38 -0.03 0.00 0.00 -1.26 -4.79 107.32 96.55 1cub s GLY 143 Ca -0.02 1.86 0.01 0.00 0.00 0.00 0.00 44.72 46.57 1cub s GLY 143 CO 0.69 1.16 -0.02 -1.59 0.00 0.00 0.00 173.10 173.34 1cub s THR 144 N -0.85 0.32 -0.11 0.90 2.01 -0.18 -1.86 115.64 115.86 1cub s THR 144 Ca -0.04 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 1cub s THR 144 Cb -0.01 -0.37 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 1cub s THR 144 CO 0.04 0.17 -0.08 0.68 -0.69 0.00 0.00 174.62 174.73 1cub s VAL 145 N 0.87 3.51 -0.10 3.82 -7.23 -0.55 -1.67 120.40 119.04 1cub s VAL 145 Ca -0.10 -0.52 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1cub s VAL 145 Cb -0.13 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.35 1cub s VAL 145 CO -0.01 0.54 -0.16 -0.76 -0.31 0.00 0.00 175.10 174.41 1cub s LEU 146 N -0.11 1.76 -0.10 1.32 1.43 -0.54 -1.85 118.68 120.59 1cub s LEU 146 Ca 0.00 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1cub s LEU 146 Cb -0.13 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 1cub s LEU 146 CO 0.03 0.03 -0.07 -0.36 0.23 0.00 0.00 176.35 176.21 1cub s PHE 147 N 0.88 2.94 -1.33 0.29 0.40 -0.35 -0.80 117.98 120.00 1cub s PHE 147 Ca -0.09 -0.18 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1cub s PHE 147 Cb -0.15 -1.81 -0.00 0.00 0.51 0.00 0.00 43.02 41.57 1cub s PHE 147 CO 0.00 0.13 0.55 0.41 0.70 0.00 0.00 175.22 177.01 1cub n GLY 148 N 2.84 -0.37 3.60 4.36 0.00 -0.37 -1.20 105.19 114.04 1cub n GLY 148 Ca -0.18 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 1cub n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cub s TYR 149 N -3.80 1.51 0.18 1.61 5.04 -1.26 -3.27 117.35 117.37 1cub s TYR 149 Ca 0.08 0.60 0.35 0.00 -2.44 0.00 0.00 57.07 55.66 1cub s TYR 149 Cb -0.03 -4.03 1.57 0.00 0.35 0.00 0.00 41.96 39.82 1cub s TYR 149 CO 0.86 -3.45 2.05 1.79 -1.34 0.00 0.00 175.55 175.46 1cub h THR 150 N 6.97 0.00 -0.31 4.34 1.35 -1.76 -2.51 112.91 120.99 1cub h THR 150 Ca -0.37 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.06 1cub h THR 150 Cb 1.20 1.35 -0.03 0.00 -1.73 0.00 0.00 68.15 68.94 1cub h THR 150 CO 1.00 0.00 0.01 0.29 -0.25 0.00 0.00 175.52 176.57 1cub n LYS 151 N -3.02 2.74 -0.01 4.72 4.76 -1.26 -4.75 118.16 121.33 1cub n LYS 151 Ca -0.00 -2.93 -0.09 0.00 -2.87 0.00 0.00 58.31 52.42 1cub n LYS 151 Cb 0.25 -1.87 -0.03 0.00 -1.84 0.00 0.00 35.03 31.55 1cub n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1cub h ASN 152 N 1.68 -0.54 -0.07 4.39 -0.73 -1.70 -0.41 115.58 118.19 1cub h ASN 152 Ca 0.07 0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 1cub h ASN 152 Cb 1.56 0.26 -0.00 0.00 0.27 0.00 0.00 38.32 40.40 1cub h ASN 152 CO 0.30 -0.22 -0.05 0.25 -0.37 0.00 0.00 177.43 177.34 1cub h LEU 153 N -0.20 0.17 -1.26 0.34 5.85 -1.85 0.28 115.31 118.64 1cub h LEU 153 Ca 0.11 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1cub h LEU 153 Cb 0.36 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1cub h LEU 153 CO -0.28 0.57 0.51 1.56 -0.34 0.00 0.00 178.44 180.47 1cub h GLN 154 N -0.23 0.95 -0.60 1.25 7.50 -1.87 -2.28 115.11 119.82 1cub h GLN 154 Ca 0.02 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1cub h GLN 154 Cb 0.51 -0.21 0.00 0.00 0.05 0.00 0.00 27.48 27.83 1cub h GLN 154 CO 0.01 0.63 0.00 0.09 -1.50 0.00 0.00 178.83 178.06 1cub n ASN 155 N -4.44 3.74 -3.72 1.46 3.02 -0.17 -4.98 115.26 110.17 1cub n ASN 155 Ca 0.09 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.40 1cub n ASN 155 Cb 0.09 -0.40 0.05 0.00 -0.61 0.00 0.00 39.78 38.92 1cub n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cub n ARG 156 N 1.58 -6.49 -1.13 3.52 5.12 -0.61 -2.40 116.66 116.25 1cub n ARG 156 Ca 0.23 0.72 -0.05 0.00 -1.93 0.00 0.00 57.85 56.82 1cub n ARG 156 Cb 0.61 -5.64 -0.02 0.00 -1.16 0.00 0.00 32.46 26.25 1cub n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1cub n GLY 157 N -1.74 0.67 3.59 -0.13 0.00 0.89 -5.01 105.19 103.48 1cub n GLY 157 Ca -0.05 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1cub n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cub s ARG 158 N -1.82 1.92 -0.19 1.61 1.81 -1.01 -4.94 118.95 116.32 1cub s ARG 158 Ca 0.00 -2.11 -0.03 0.00 -1.72 0.00 0.00 55.73 51.87 1cub s ARG 158 Cb 0.00 -1.38 -0.01 0.00 -0.45 0.00 0.00 34.95 33.11 1cub s ARG 158 CO 0.00 -0.15 -0.05 0.42 -0.68 0.00 0.00 175.30 174.83 1cub s ILE 159 N -2.91 3.43 0.20 1.52 1.01 -1.26 -4.81 121.20 118.38 1cub s ILE 159 Ca 0.31 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 60.14 1cub s ILE 159 Cb 0.08 -2.53 -0.14 0.00 0.01 0.00 0.00 42.46 39.88 1cub s ILE 159 CO 0.15 0.45 1.48 -2.65 0.00 0.00 0.00 174.94 174.37 1cub n PRO 160 N 4.36 2.06 -1.64 2.79 -0.02 -1.26 -2.36 135.00 138.94 1cub n PRO 160 Ca -0.18 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1cub n PRO 160 Cb 0.51 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 1cub n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cub n ASN 161 N 2.69 -4.64 -3.95 2.55 3.02 -1.26 -4.36 115.26 109.32 1cub n ASN 161 Ca 0.14 0.26 -0.19 0.00 -0.03 0.00 0.00 54.58 54.76 1cub n ASN 161 Cb 0.30 -3.50 -0.15 0.00 -0.61 0.00 0.00 39.78 35.81 1cub n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1cub s TYR 162 N -2.58 0.72 0.36 3.10 5.04 -0.99 -5.01 117.35 117.99 1cub s TYR 162 Ca 0.00 -0.17 -0.28 0.00 -2.44 0.00 0.00 57.07 54.18 1cub s TYR 162 Cb 0.00 -0.55 -0.11 0.00 0.35 0.00 0.00 41.96 41.65 1cub s TYR 162 CO 0.00 -0.10 1.49 -1.25 -1.34 0.00 0.00 175.55 174.35 1cub s PRO 163 N 0.33 4.13 0.30 4.97 0.04 -1.26 -4.55 135.00 138.96 1cub s PRO 163 Ca -0.04 2.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.53 1cub s PRO 163 Cb -0.09 -2.99 0.46 0.00 0.04 0.00 0.00 34.50 31.93 1cub s PRO 163 CO 0.00 -0.53 1.92 0.00 0.04 0.00 0.00 177.00 178.43 1cub h ALA 164 N 3.34 1.35 0.00 8.56 0.00 -1.94 -2.57 119.26 128.01 1cub h ALA 164 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1cub h ALA 164 Cb 1.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1cub h ALA 164 CO 0.67 0.52 0.00 0.38 0.00 0.00 0.00 179.25 180.82 1cub h ASP 165 N 0.94 0.00 -0.39 0.00 2.03 -2.01 -1.62 116.42 115.37 1cub h ASP 165 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1cub h ASP 165 Cb 0.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1cub h ASP 165 CO -0.04 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.71 1cub n ARG 166 N -2.93 2.50 -4.76 4.15 1.74 -0.97 -4.94 116.66 111.45 1cub n ARG 166 Ca -0.01 -2.27 -0.33 0.00 -0.77 0.00 0.00 57.85 54.47 1cub n ARG 166 Cb 0.18 -1.52 -0.12 0.00 -1.02 0.00 0.00 32.46 29.98 1cub n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1cub s THR 167 N -1.50 3.29 -0.11 0.55 2.01 -0.61 -1.02 115.64 118.25 1cub s THR 167 Ca 0.39 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 1cub s THR 167 Cb 0.23 -2.33 0.04 0.00 0.01 0.00 0.00 72.50 70.46 1cub s THR 167 CO 0.32 0.56 0.05 -0.75 -0.69 0.00 0.00 174.62 174.11 1cub s LYS 168 N -0.87 0.22 -0.15 4.92 2.47 -0.67 -4.97 119.74 120.70 1cub s LYS 168 Ca 0.12 0.04 -0.05 0.00 -1.56 0.00 0.00 55.97 54.53 1cub s LYS 168 Cb -0.11 -1.30 -0.03 0.00 -1.46 0.00 0.00 37.83 34.93 1cub s LYS 168 CO 0.02 -0.49 0.00 0.08 0.16 0.00 0.00 175.35 175.12 1cub s VAL 169 N 2.07 4.28 -0.35 4.02 1.01 -1.26 -1.47 120.40 128.70 1cub s VAL 169 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1cub s VAL 169 Cb -0.14 -2.88 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1cub s VAL 169 CO -0.06 0.51 0.09 -0.36 0.00 0.00 0.00 175.10 175.27 1cub s PHE 170 N 0.09 3.42 -0.20 5.22 0.08 0.02 -4.98 117.98 121.63 1cub s PHE 170 Ca 0.02 -2.13 -0.01 0.00 0.12 0.00 0.00 56.93 54.93 1cub s PHE 170 Cb -0.13 -2.60 0.06 0.00 -0.57 0.00 0.00 43.02 39.78 1cub s PHE 170 CO 0.02 -0.87 -0.01 0.00 -0.10 0.00 0.00 175.22 174.26 1cub s LYS 172 N 1.67 4.11 0.17 0.00 1.02 -1.26 -5.00 119.74 120.44 1cub s LYS 172 Ca -0.02 0.96 -0.32 0.00 0.02 0.00 0.00 55.97 56.60 1cub s LYS 172 Cb -0.17 -2.24 -0.12 0.00 -0.52 0.00 0.00 37.83 34.78 1cub s LYS 172 CO -0.07 -0.03 1.75 2.41 -0.92 0.00 0.00 175.35 178.49 1cub n THR 173 N -0.77 0.13 -0.06 2.17 -1.04 -1.26 -1.49 114.28 111.96 1cub n THR 173 Ca 0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1cub n THR 173 Cb 0.54 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 1cub n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cub n GLY 174 N 3.99 0.67 3.51 3.41 0.00 -1.26 -4.86 105.19 110.66 1cub n GLY 174 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1cub n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cub s ASP 175 N -2.61 6.24 0.59 1.61 -1.08 -0.56 -4.62 116.67 116.25 1cub s ASP 175 Ca 0.00 -0.54 0.30 0.00 -0.52 0.00 0.00 52.55 51.79 1cub s ASP 175 Cb 0.00 -2.48 1.82 0.00 -1.46 0.00 0.00 42.92 40.80 1cub s ASP 175 CO 0.00 -1.52 2.24 -0.07 0.52 0.00 0.00 175.17 176.35 1cub h LEU 176 N 11.85 0.00 -1.35 -1.34 3.38 -1.89 -2.54 115.31 123.41 1cub h LEU 176 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1cub h LEU 176 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1cub h LEU 176 CO 1.19 0.00 0.00 -0.37 0.09 0.00 0.00 178.44 179.35 1cub h VAL 177 N 0.00 0.00 -0.00 1.22 -1.51 -1.72 -2.05 116.25 112.18 1cub h VAL 177 Ca 0.01 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1cub h VAL 177 Cb 0.05 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1cub h VAL 177 CO -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 177.57 176.26 1cub n THR 179 N -0.91 1.95 -0.41 0.00 -1.04 -0.79 -3.67 114.28 109.42 1cub n THR 179 Ca 0.16 -2.56 0.00 0.00 -2.04 0.00 0.00 64.05 59.61 1cub n THR 179 Cb 0.26 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1cub n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1cub n GLY 180 N -1.29 0.72 3.90 3.41 0.00 -1.24 -4.98 105.19 105.72 1cub n GLY 180 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1cub n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cub s SER 181 N -2.77 5.05 -0.14 1.61 0.15 -1.09 -5.05 113.70 111.45 1cub s SER 181 Ca 0.00 -0.78 0.18 0.00 0.70 0.00 0.00 55.95 56.05 1cub s SER 181 Cb 0.00 -0.42 0.32 0.00 -1.71 0.00 0.00 66.02 64.21 1cub s SER 181 CO 0.00 -0.75 1.19 0.18 1.20 0.00 0.00 173.24 175.06 1cub n LEU 182 N -1.63 2.55 -4.78 3.45 4.77 -1.26 -4.15 117.00 115.95 1cub n LEU 182 Ca 0.04 -3.14 -0.39 0.00 -0.03 0.00 0.00 56.01 52.49 1cub n LEU 182 Cb 0.62 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1cub n LEU 182 CO 0.42 0.75 0.33 -0.63 -1.33 0.00 0.00 177.39 176.93 1cub s ILE 183 N -2.90 4.77 -0.32 -0.08 1.01 -1.26 -5.00 121.20 117.42 1cub s ILE 183 Ca 0.34 1.34 -0.13 0.00 0.00 0.00 0.00 60.65 62.20 1cub s ILE 183 Cb 0.29 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1cub s ILE 183 CO 0.03 0.47 0.24 -0.69 0.00 0.00 0.00 174.94 174.99 1cub s VAL 184 N -0.57 5.28 0.42 2.92 1.01 -1.26 -4.08 120.40 124.13 1cub s VAL 184 Ca 0.32 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1cub s VAL 184 Cb -0.19 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1cub s VAL 184 CO 0.20 0.06 0.08 0.00 0.00 0.00 0.00 175.10 175.44 1cub s ALA 185 N 1.77 3.42 0.26 5.51 0.00 -1.26 -5.04 121.76 126.42 1cub s ALA 185 Ca 0.07 -2.06 -0.01 0.00 0.00 0.00 0.00 51.96 49.95 1cub s ALA 185 Cb -0.17 -0.06 0.56 0.00 0.00 0.00 0.00 23.12 23.45 1cub s ALA 185 CO 0.11 -0.14 1.70 0.00 0.00 0.00 0.00 175.76 177.43 1cub h ALA 186 N 1.59 1.17 0.00 0.00 0.00 -1.98 -1.20 119.26 118.83 1cub h ALA 186 Ca -0.43 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1cub h ALA 186 Cb 1.25 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1cub h ALA 186 CO 0.76 -0.30 -0.00 -1.35 0.00 0.00 0.00 179.25 178.36 1cub h PRO 187 N 0.37 0.00 0.00 0.00 0.11 -1.89 -1.19 132.00 129.40 1cub h PRO 187 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1cub h PRO 187 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1cub h PRO 187 CO -0.49 0.00 0.00 1.25 -0.21 0.00 0.00 178.00 178.55 1cub h HIS 188 N 0.00 0.00 -0.40 0.65 2.76 -1.52 -2.74 115.15 113.91 1cub h HIS 188 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1cub h HIS 188 Cb 0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1cub h HIS 188 CO 0.00 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.91 1cub n LEU 189 N -2.94 4.22 -1.03 0.26 4.32 -0.45 -4.64 117.00 116.73 1cub n LEU 189 Ca -0.00 -2.73 -0.00 0.00 -0.02 0.00 0.00 56.01 53.25 1cub n LEU 189 Cb 0.21 -0.52 0.21 0.00 -1.62 0.00 0.00 43.42 41.70 1cub n LEU 189 CO 0.23 0.70 0.69 0.00 -1.22 0.00 0.00 177.39 177.79 1cub n ALA 190 N 0.15 3.84 1.58 -1.18 0.00 -1.03 -4.69 120.51 119.18 1cub n ALA 190 Ca 0.22 -2.88 0.11 0.00 0.00 0.00 0.00 53.44 50.88 1cub n ALA 190 Cb 0.87 -0.71 0.50 0.00 0.00 0.00 0.00 19.45 20.10 1cub n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cub n TYR 191 N -0.98 0.10 -0.06 0.00 4.01 -1.26 -4.40 117.16 114.57 1cub n TYR 191 Ca 0.29 -0.05 -0.07 0.00 -0.16 0.00 0.00 57.90 57.91 1cub n TYR 191 Cb 0.98 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.00 1cub n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1cub h GLY 192 N 5.13 0.03 1.55 2.72 0.00 -1.97 -1.78 103.07 108.76 1cub h GLY 192 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1cub h GLY 192 CO 0.00 -0.16 0.21 -2.55 0.00 0.00 0.00 176.54 174.03 1cub h PRO 193 N -0.13 0.59 -0.54 4.80 0.11 -2.00 -2.20 132.00 132.63 1cub h PRO 193 Ca 0.14 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 1cub h PRO 193 Cb 0.35 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1cub h PRO 193 CO -0.34 0.45 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.36 1cub h ASP 194 N 0.59 1.01 1.03 -2.05 3.32 -1.70 -2.66 116.42 115.97 1cub h ASP 194 Ca 0.15 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1cub h ASP 194 Cb 0.06 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1cub h ASP 194 CO -0.02 1.12 -0.05 0.00 -1.72 0.00 0.00 179.24 178.56 1cub h ALA 195 N 0.97 1.01 0.00 3.45 0.00 -0.86 -1.29 119.26 122.54 1cub h ALA 195 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cub h ALA 195 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1cub h ALA 195 CO 0.05 0.07 -0.86 0.93 0.00 0.00 0.00 179.25 179.44 1cub h GLU 196 N 0.00 0.00 0.00 0.00 5.08 -1.15 -3.28 114.58 115.23 1cub h GLU 196 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cub h GLU 196 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1cub h GLU 196 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 1cub n GLY 197 N 1.22 0.01 0.25 -3.84 0.00 -1.02 -4.91 105.19 96.89 1cub n GLY 197 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 1cub n GLY 197 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1cub h PRO 198 N 0.00 0.58 0.31 1.61 0.11 -1.77 -2.40 132.00 130.45 1cub h PRO 198 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1cub h PRO 198 Cb 0.00 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1cub h PRO 198 CO 0.00 0.38 -0.15 0.00 -0.21 0.00 0.00 178.00 178.02 1cub h ALA 199 N 1.38 -0.42 -0.37 -0.75 0.00 -1.52 -1.74 119.26 115.85 1cub h ALA 199 Ca 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1cub h ALA 199 Cb 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1cub h ALA 199 CO -0.23 -0.65 -0.04 -1.00 0.00 0.00 0.00 179.25 177.33 1cub h PRO 200 N -0.58 0.59 -0.39 0.00 0.13 -1.76 -2.24 132.00 127.75 1cub h PRO 200 Ca -0.04 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1cub h PRO 200 Cb 0.42 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 1cub h PRO 200 CO 0.07 0.64 0.14 0.93 -0.23 0.00 0.00 178.00 179.55 1cub h GLU 201 N 0.56 0.55 -0.09 0.86 4.39 -1.36 -0.06 114.58 119.43 1cub h GLU 201 Ca 0.11 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1cub h GLU 201 Cb 0.41 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1cub h GLU 201 CO 0.02 0.47 -0.02 0.35 -1.16 0.00 0.00 179.01 178.68 1cub h PHE 202 N 0.55 0.18 -0.70 4.33 3.57 -0.77 -1.60 116.94 122.50 1cub h PHE 202 Ca 0.13 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1cub h PHE 202 Cb 0.14 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1cub h PHE 202 CO 0.01 0.47 0.41 -0.07 -2.23 0.00 0.00 178.31 176.90 1cub h LEU 203 N -0.16 0.84 -0.78 0.59 3.38 -1.04 -0.77 115.31 117.38 1cub h LEU 203 Ca 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1cub h LEU 203 Cb 0.41 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1cub h LEU 203 CO 0.01 0.67 0.48 0.40 0.09 0.00 0.00 178.44 180.08 1cub h ILE 204 N 0.95 1.21 -0.28 1.22 2.04 -0.98 -1.22 117.51 120.46 1cub h ILE 204 Ca 0.25 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1cub h ILE 204 Cb -0.02 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1cub h ILE 204 CO -0.05 0.22 0.10 -0.08 0.00 0.00 0.00 178.15 178.35 1cub h GLU 205 N 1.06 0.43 -0.06 2.37 4.81 -0.90 -1.31 114.58 120.99 1cub h GLU 205 Ca 0.28 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 1cub h GLU 205 Cb -0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1cub h GLU 205 CO -0.05 0.47 -0.31 0.87 -0.73 0.00 0.00 179.01 179.26 1cub h LYS 206 N 0.31 0.10 -0.04 1.92 1.79 -0.89 -0.96 116.57 118.80 1cub h LYS 206 Ca 0.09 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1cub h LYS 206 Cb 0.20 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1cub h LYS 206 CO -0.01 0.40 -0.16 0.28 -1.08 0.00 0.00 179.45 178.89 1cub h VAL 207 N 0.09 1.47 -0.14 0.50 2.07 -1.12 -3.25 116.25 115.87 1cub h VAL 207 Ca 0.01 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1cub h VAL 207 Cb 0.59 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1cub h VAL 207 CO 0.04 0.44 0.05 0.03 0.02 0.00 0.00 177.57 178.16 1cub h ARG 208 N -0.39 0.19 -0.95 1.57 3.08 -1.03 -0.40 114.38 116.44 1cub h ARG 208 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1cub h ARG 208 Cb 0.80 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1cub h ARG 208 CO 0.03 0.17 0.61 0.00 -1.07 0.00 0.00 179.97 179.71 1cub h ALA 209 N 1.87 1.28 0.00 0.04 0.00 -1.21 0.22 119.26 121.46 1cub h ALA 209 Ca 0.05 -0.08 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1cub h ALA 209 Cb 0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1cub h ALA 209 CO -0.01 0.65 -2.13 1.33 0.00 0.00 0.00 179.25 179.09 1cub n VAL 210 N -4.37 1.48 -0.01 0.00 0.24 -0.93 -4.52 118.33 110.21 1cub n VAL 210 Ca 0.11 -0.82 -0.02 0.00 -2.04 0.00 0.00 64.34 61.57 1cub n VAL 210 Cb 0.03 -0.74 -0.12 0.00 -1.47 0.00 0.00 33.84 31.54 1cub n VAL 210 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1cub n ARG 211 N -2.89 0.65 0.00 7.34 1.74 -0.20 -5.07 116.66 118.22 1cub n ARG 211 Ca -0.27 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1cub n ARG 211 Cb 1.11 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1cub n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cub n GLY 212 N 1.48 0.17 0.00 -0.13 0.00 0.77 -5.03 105.19 102.45 1cub n GLY 212 Ca -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1cub n GLY 212 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18