#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cae n GLY 18 N 0.00 -3.18 0.37 -5.12 0.00 -1.26 0.17 105.19 96.18 3cae n GLY 18 Ca 0.00 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3cae n GLY 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cae h LEU 19 N 0.00 0.61 0.63 0.99 5.85 -2.05 -1.45 115.31 119.88 3cae h LEU 19 Ca 0.00 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3cae h LEU 19 Cb 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3cae h LEU 19 CO 0.00 0.30 -0.34 -0.08 -0.34 0.00 0.00 178.44 177.98 3cae h GLU 20 N 0.64 -0.86 -0.37 1.25 4.81 -1.98 -2.02 114.58 116.05 3cae h GLU 20 Ca 0.44 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.77 3cae h GLU 20 Cb 0.77 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 3cae h GLU 20 CO -0.20 -0.57 -0.37 0.22 -0.73 0.00 0.00 179.01 177.36 3cae h ASP 21 N -0.89 -1.26 -0.89 1.04 1.82 0.26 0.13 116.42 116.63 3cae h ASP 21 Ca -0.08 0.17 0.24 0.00 -0.39 0.00 0.00 57.03 56.97 3cae h ASP 21 Cb 0.71 0.53 -0.15 0.00 0.68 0.00 0.00 39.33 41.09 3cae h ASP 21 CO 0.11 -0.23 0.12 0.11 -1.61 0.00 0.00 179.24 177.74 3cae h LYS 22 N -0.18 0.10 0.11 0.28 1.57 -1.25 0.24 116.57 117.44 3cae h LYS 22 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3cae h LYS 22 Cb 0.35 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3cae h LYS 22 CO -0.45 0.07 -0.05 0.28 -0.57 0.00 0.00 179.45 178.73 3cae h VAL 23 N 0.11 0.96 -0.99 0.50 2.07 -0.26 0.14 116.25 118.78 3cae h VAL 23 Ca 0.54 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.83 3cae h VAL 23 Cb 1.10 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 3cae h VAL 23 CO -0.76 0.06 0.65 0.77 0.02 0.00 0.00 177.57 178.32 3cae h SER 24 N -0.26 1.12 -0.45 0.57 4.64 0.38 0.71 113.55 120.27 3cae h SER 24 Ca -0.02 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 3cae h SER 24 Cb 0.21 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 3cae h SER 24 CO 0.02 0.81 0.04 0.11 -0.87 0.00 0.00 176.83 176.94 3cae h LYS 25 N 1.32 0.76 -0.24 4.77 1.57 -0.40 0.45 116.57 124.81 3cae h LYS 25 Ca 0.37 -0.22 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3cae h LYS 25 Cb -0.13 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 3cae h LYS 25 CO -0.09 0.81 -0.14 0.37 -0.57 0.00 0.00 179.45 179.83 3cae h GLN 26 N 0.62 -0.12 -0.64 3.15 4.15 0.36 0.44 115.11 123.07 3cae h GLN 26 Ca 0.13 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.63 3cae h GLN 26 Cb 0.44 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.10 3cae h GLN 26 CO 0.02 -0.08 0.33 -0.07 -1.93 0.00 0.00 178.83 177.09 3cae h LEU 27 N -0.12 0.45 -0.69 -2.39 3.38 -0.40 -2.00 115.31 113.54 3cae h LEU 27 Ca 0.13 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3cae h LEU 27 Cb 0.32 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3cae h LEU 27 CO -0.32 0.28 -0.04 -0.33 0.09 0.00 0.00 178.44 178.12 3cae h GLU 28 N 0.59 0.97 -0.71 1.13 5.08 0.10 -0.68 114.58 121.07 3cae h GLU 28 Ca 0.30 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3cae h GLU 28 Cb 0.24 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3cae h GLU 28 CO -0.21 0.98 0.47 0.66 -1.00 0.00 0.00 179.01 179.91 3cae h SER 29 N 0.88 0.61 -0.21 1.42 4.64 0.56 0.26 113.55 121.71 3cae h SER 29 Ca 0.15 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3cae h SER 29 Cb 0.58 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3cae h SER 29 CO 0.03 0.39 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 3cae n LYS 30 N -4.48 1.82 -1.60 4.77 5.02 -0.99 -4.92 118.16 117.78 3cae n LYS 30 Ca 0.11 -1.24 -0.16 0.00 -2.02 0.00 0.00 58.31 54.99 3cae n LYS 30 Cb 0.27 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 3cae n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cae n GLY 31 N 1.16 1.37 3.70 0.72 0.00 0.90 -4.95 105.19 108.09 3cae n GLY 31 Ca 0.16 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3cae n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cae s ILE 32 N -2.64 4.06 -0.43 -0.61 -1.09 -0.30 -4.98 121.20 115.20 3cae s ILE 32 Ca 0.00 1.45 -0.20 0.00 -2.23 0.00 0.00 60.65 59.66 3cae s ILE 32 Cb 0.00 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.97 3cae s ILE 32 CO 0.00 0.06 0.63 -0.75 -1.23 0.00 0.00 174.94 173.65 3cae s LYS 33 N 1.59 3.31 0.50 2.79 2.20 -1.26 -4.46 119.74 124.41 3cae s LYS 33 Ca 0.58 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 3cae s LYS 33 Cb -0.28 -3.94 -0.01 0.00 -1.51 0.00 0.00 37.83 32.09 3cae s LYS 33 CO 0.27 -0.97 0.11 -0.59 -0.36 0.00 0.00 175.35 173.80 3cae s PHE 34 N 2.77 1.91 -0.16 4.03 -0.12 -1.26 -5.13 117.98 120.03 3cae s PHE 34 Ca 0.22 -0.88 -0.01 0.00 -0.05 0.00 0.00 56.93 56.21 3cae s PHE 34 Cb -0.14 -1.72 -0.01 0.00 -0.63 0.00 0.00 43.02 40.52 3cae s PHE 34 CO 0.18 0.08 -0.11 -1.21 -0.05 0.00 0.00 175.22 174.12 3cae s GLU 35 N -3.96 3.38 -0.69 1.99 2.02 -1.26 -5.08 118.70 115.10 3cae s GLU 35 Ca 0.17 -0.67 -0.16 0.00 0.02 0.00 0.00 54.97 54.33 3cae s GLU 35 Cb 0.02 -2.74 0.15 0.00 0.10 0.00 0.00 34.13 31.66 3cae s GLU 35 CO 0.10 0.08 0.71 -0.47 0.02 0.00 0.00 175.26 175.69 3cae s TYR 36 N 0.71 3.35 -1.39 1.61 5.04 -1.26 -4.50 117.35 120.92 3cae s TYR 36 Ca -0.05 -1.46 -0.07 0.00 -2.44 0.00 0.00 57.07 53.04 3cae s TYR 36 Cb -0.15 -3.91 0.01 0.00 0.35 0.00 0.00 41.96 38.26 3cae s TYR 36 CO 0.02 -1.13 0.98 0.39 -1.34 0.00 0.00 175.55 174.48 3cae n GLU 37 N 5.21 -6.87 0.09 4.97 1.02 -1.26 -4.92 120.64 118.88 3cae n GLU 37 Ca 0.00 0.83 -0.20 0.00 -0.02 0.00 0.00 57.16 57.78 3cae n GLU 37 Cb 0.44 -5.77 -0.12 0.00 -0.02 0.00 0.00 31.44 25.97 3cae n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3cae h GLU 38 N -2.25 0.55 -6.84 3.49 4.57 -2.01 -3.47 114.58 108.62 3cae h GLU 38 Ca -0.54 -0.73 -0.69 0.00 -1.18 0.00 0.00 59.36 56.21 3cae h GLU 38 Cb 1.36 0.24 -0.23 0.00 -0.16 0.00 0.00 28.75 29.96 3cae h GLU 38 CO 0.55 1.32 -0.87 -1.58 -1.18 0.00 0.00 179.01 177.25 3cae s TRP 39 N -2.98 2.33 -0.10 0.92 0.52 -1.26 -5.13 118.94 113.24 3cae s TRP 39 Ca -0.08 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 3cae s TRP 39 Cb 0.06 -1.31 -0.03 0.00 -1.15 0.00 0.00 33.47 31.04 3cae s TRP 39 CO 0.92 0.27 0.01 0.15 0.02 0.00 0.00 176.95 178.32 3cae s LYS 40 N -1.77 3.10 -0.31 4.98 1.02 -1.26 -5.10 119.74 120.41 3cae s LYS 40 Ca 0.13 -0.38 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 3cae s LYS 40 Cb -0.10 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 3cae s LYS 40 CO 0.05 0.67 0.21 0.08 -0.92 0.00 0.00 175.35 175.43 3cae s VAL 41 N -0.78 5.21 0.28 3.17 1.01 -1.26 -5.07 120.40 122.97 3cae s VAL 41 Ca 0.12 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 61.74 3cae s VAL 41 Cb -0.12 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3cae s VAL 41 CO 0.02 0.11 0.99 -2.84 0.00 0.00 0.00 175.10 173.39 3cae s PRO 42 N 1.73 4.67 0.11 2.72 0.02 -1.26 -5.05 135.00 137.94 3cae s PRO 42 Ca 0.06 1.54 -0.21 0.00 0.02 0.00 0.00 61.00 62.41 3cae s PRO 42 Cb -0.17 -3.08 0.06 0.00 0.02 0.00 0.00 34.50 31.33 3cae s PRO 42 CO 0.10 0.32 0.53 1.52 -0.33 0.00 0.00 177.00 179.14 3cae s TYR 43 N -1.32 -0.43 -0.09 6.54 -0.85 -1.26 -5.15 117.35 114.80 3cae s TYR 43 Ca 0.46 0.29 0.00 0.00 -0.52 0.00 0.00 57.07 57.30 3cae s TYR 43 Cb -0.26 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 3cae s TYR 43 CO 0.32 -0.75 -0.08 -1.54 -1.52 0.00 0.00 175.55 171.99 3cae s SER 44 N -2.49 4.56 -0.37 -0.18 1.04 -1.26 -5.07 113.70 109.94 3cae s SER 44 Ca -0.01 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.13 3cae s SER 44 Cb -0.00 -1.28 0.01 0.00 0.10 0.00 0.00 66.02 64.85 3cae s SER 44 CO -0.09 0.31 0.71 0.21 0.98 0.00 0.00 173.24 175.36 3cae s ASN 45 N -0.51 6.48 -0.74 7.02 3.84 -1.26 -4.98 114.94 124.79 3cae s ASN 45 Ca 0.08 0.20 -0.26 0.00 0.21 0.00 0.00 52.86 53.09 3cae s ASN 45 Cb -0.12 -2.36 0.01 0.00 -0.55 0.00 0.00 41.25 38.23 3cae s ASN 45 CO 0.02 -0.68 1.52 0.54 -2.79 0.00 0.00 177.10 175.71 3cae s ASN 46 N 1.84 5.86 0.06 -4.21 4.22 -1.26 -4.95 114.94 116.50 3cae s ASN 46 Ca 0.28 -0.33 -0.17 0.00 -2.14 0.00 0.00 52.86 50.50 3cae s ASN 46 Cb -0.14 -2.55 -0.06 0.00 1.28 0.00 0.00 41.25 39.78 3cae s ASN 46 CO 0.16 -2.03 0.52 -1.10 -2.04 0.00 0.00 177.10 172.62 3cae s GLN 47 N 6.14 4.09 -0.39 3.55 -0.21 -1.26 -5.04 119.66 126.55 3cae s GLN 47 Ca 0.48 0.61 -0.06 0.00 0.02 0.00 0.00 55.36 56.41 3cae s GLN 47 Cb -0.08 -3.19 0.08 0.00 1.00 0.00 0.00 33.01 30.81 3cae s GLN 47 CO 0.13 0.63 0.19 -0.65 -2.12 0.00 0.00 175.29 173.47 3cae s GLN 48 N -1.23 2.43 0.08 2.91 -0.21 -1.26 -5.07 119.66 117.31 3cae s GLN 48 Ca 0.29 -1.49 -0.07 0.00 0.02 0.00 0.00 55.36 54.10 3cae s GLN 48 Cb -0.18 -3.61 -0.05 0.00 1.00 0.00 0.00 33.01 30.17 3cae s GLN 48 CO 0.18 -0.90 0.36 1.21 -2.12 0.00 0.00 175.29 174.01 3cae s ASN 49 N 1.84 6.56 -0.39 5.90 3.84 -1.26 -5.05 114.94 126.38 3cae s ASN 49 Ca 0.03 0.67 0.02 0.00 0.21 0.00 0.00 52.86 53.79 3cae s ASN 49 Cb -0.22 -2.13 0.11 0.00 -0.55 0.00 0.00 41.25 38.47 3cae s ASN 49 CO 0.00 0.15 0.14 -0.31 -2.79 0.00 0.00 177.10 174.30 3cae s TYR 50 N -1.46 2.68 0.46 0.43 1.51 -1.26 -5.10 117.35 114.61 3cae s TYR 50 Ca 0.34 -2.55 -0.03 0.00 -1.01 0.00 0.00 57.07 53.82 3cae s TYR 50 Cb -0.13 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 3cae s TYR 50 CO 0.20 -0.85 0.73 -1.12 -1.11 0.00 0.00 175.55 173.39 3cae s SER 51 N 0.76 6.13 0.03 2.29 0.01 -1.26 -5.09 113.70 116.58 3cae s SER 51 Ca 0.13 0.70 0.07 0.00 1.31 0.00 0.00 55.95 58.17 3cae s SER 51 Cb -0.21 -2.04 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 3cae s SER 51 CO -0.09 -0.59 -0.20 -0.94 0.41 0.00 0.00 173.24 171.82 3cae s SER 52 N -4.13 2.44 0.31 2.44 1.04 -1.26 -5.13 113.70 109.41 3cae s SER 52 Ca 0.47 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3cae s SER 52 Cb -0.10 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3cae s SER 52 CO 0.42 0.17 0.35 -1.00 0.98 0.00 0.00 173.24 174.16 3cae s HIS 53 N -0.75 1.25 0.19 5.02 3.76 -1.26 -5.18 115.29 118.32 3cae s HIS 53 Ca 0.07 -1.38 0.10 0.00 -0.15 0.00 0.00 55.06 53.71 3cae s HIS 53 Cb -0.09 -0.35 -0.04 0.00 1.11 0.00 0.00 32.58 33.21 3cae s HIS 53 CO 0.01 -0.96 -0.17 0.95 -0.85 0.00 0.00 174.74 173.72 3cae s THR 54 N -3.45 2.72 -0.11 1.30 -4.23 -1.26 -5.13 115.64 105.49 3cae s THR 54 Ca 0.35 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 3cae s THR 54 Cb 0.02 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.54 3cae s THR 54 CO 0.20 -0.13 -0.12 -0.47 -0.54 0.00 0.00 174.62 173.56 3cae s TYR 55 N -1.74 1.74 -0.44 3.99 5.04 -1.26 -5.11 117.35 119.56 3cae s TYR 55 Ca 0.23 -0.83 -0.06 0.00 -2.44 0.00 0.00 57.07 53.97 3cae s TYR 55 Cb -0.08 -1.32 0.12 0.00 0.35 0.00 0.00 41.96 41.03 3cae s TYR 55 CO 0.12 -0.48 0.27 0.99 -1.34 0.00 0.00 175.55 175.11 3cae s THR 56 N 1.25 3.72 0.56 4.34 2.01 -1.26 -5.08 115.64 121.18 3cae s THR 56 Ca -0.02 -1.94 -0.21 0.00 0.31 0.00 0.00 61.69 59.82 3cae s THR 56 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3cae s THR 56 CO -0.04 -0.73 1.35 -2.65 -0.69 0.00 0.00 174.62 171.85 3cae n PRO 57 N 4.73 1.61 -0.09 4.92 -0.02 -1.26 -4.94 135.00 139.96 3cae n PRO 57 Ca -0.05 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3cae n PRO 57 Cb 0.41 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3cae n PRO 57 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3cae h ASP 58 N 1.31 0.40 -4.73 2.55 3.32 -1.70 -3.46 116.42 114.12 3cae h ASP 58 Ca -0.51 -0.17 -0.28 0.00 0.02 0.00 0.00 57.03 56.09 3cae h ASP 58 Cb 1.31 -0.10 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 3cae h ASP 58 CO 0.56 0.47 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.45 3cae s PHE 59 N -5.53 0.74 -0.24 4.55 0.40 -0.36 -5.00 117.98 112.54 3cae s PHE 59 Ca -0.13 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 3cae s PHE 59 Cb 0.09 -0.44 0.06 0.00 0.51 0.00 0.00 43.02 43.24 3cae s PHE 59 CO 0.73 -0.07 -0.06 -1.17 0.70 0.00 0.00 175.22 175.35 3cae s LEU 60 N -1.70 2.73 0.52 -0.37 2.96 -1.26 -0.95 118.68 120.61 3cae s LEU 60 Ca -0.08 -1.23 -0.18 0.00 -0.22 0.00 0.00 54.13 52.42 3cae s LEU 60 Cb -0.09 -1.23 -0.07 0.00 0.50 0.00 0.00 46.19 45.29 3cae s LEU 60 CO 0.00 -0.23 1.03 -0.76 -1.32 0.00 0.00 176.35 175.06 3cae s LEU 61 N 1.35 3.71 0.41 -0.68 1.43 -0.08 -4.94 118.68 119.89 3cae s LEU 61 Ca -0.06 1.81 0.22 0.00 -1.03 0.00 0.00 54.13 55.08 3cae s LEU 61 Cb -0.19 -4.54 1.21 0.00 0.03 0.00 0.00 46.19 42.69 3cae s LEU 61 CO -0.06 -0.82 1.64 -0.65 0.23 0.00 0.00 176.35 176.69 3cae h PRO 62 N 1.15 0.00 -0.01 1.29 0.11 -1.96 0.13 132.00 132.71 3cae h PRO 62 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3cae h PRO 62 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cae h PRO 62 CO 0.59 0.00 -0.43 0.27 -0.21 0.00 0.00 178.00 178.22 3cae n ASN 63 N -2.36 1.20 0.00 -2.05 0.23 -1.26 -4.83 115.26 106.19 3cae n ASN 63 Ca -0.01 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 53.07 3cae n ASN 63 Cb 0.19 0.33 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 3cae n ASN 63 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cae n GLY 64 N 1.40 0.62 3.71 4.83 0.00 0.45 0.53 105.19 116.73 3cae n GLY 64 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3cae n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cae s ILE 65 N -2.00 4.65 -0.06 -0.61 1.01 -1.25 -4.58 121.20 118.36 3cae s ILE 65 Ca 0.00 1.91 -0.11 0.00 0.00 0.00 0.00 60.65 62.45 3cae s ILE 65 Cb 0.00 -4.22 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 3cae s ILE 65 CO 0.00 0.15 0.28 -0.36 0.00 0.00 0.00 174.94 175.01 3cae s PHE 66 N 1.01 3.66 -0.01 3.97 0.40 0.44 -0.90 117.98 126.55 3cae s PHE 66 Ca 0.54 0.76 0.04 0.00 -0.60 0.00 0.00 56.93 57.66 3cae s PHE 66 Cb -0.23 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.16 3cae s PHE 66 CO 0.28 0.67 -0.12 0.08 0.70 0.00 0.00 175.22 176.84 3cae s VAL 67 N -0.99 0.92 -0.12 -0.44 1.01 -0.12 -0.64 120.40 120.01 3cae s VAL 67 Ca 0.19 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3cae s VAL 67 Cb -0.14 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.48 3cae s VAL 67 CO 0.09 0.26 -0.16 -0.70 0.00 0.00 0.00 175.10 174.58 3cae s GLU 68 N -0.25 2.41 0.44 2.72 2.56 0.34 -1.23 118.70 125.69 3cae s GLU 68 Ca 0.04 -0.62 -0.16 0.00 0.00 0.00 0.00 54.97 54.23 3cae s GLU 68 Cb -0.05 -2.05 -0.09 0.00 2.00 0.00 0.00 34.13 33.95 3cae s GLU 68 CO -0.00 -0.09 0.89 0.95 -0.56 0.00 0.00 175.26 176.44 3cae s THR 69 N 1.05 4.58 -0.28 -1.70 -4.23 -1.26 -1.48 115.64 112.31 3cae s THR 69 Ca -0.04 1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 61.54 3cae s THR 69 Cb -0.15 -3.67 0.16 0.00 1.34 0.00 0.00 72.50 70.18 3cae s THR 69 CO -0.03 -0.47 0.55 -0.75 -0.54 0.00 0.00 174.62 173.38 3cae s LYS 70 N -3.61 0.51 0.00 3.99 2.47 -0.34 -4.86 119.74 117.90 3cae s LYS 70 Ca 0.57 0.99 0.00 0.00 -1.56 0.00 0.00 55.97 55.97 3cae s LYS 70 Cb -0.10 0.39 0.00 0.00 -1.46 0.00 0.00 37.83 36.66 3cae s LYS 70 CO 0.24 -0.54 0.04 0.41 0.16 0.00 0.00 175.35 175.66 3cae n GLY 71 N 5.42 1.02 3.73 5.54 0.00 -1.26 -2.75 105.19 116.89 3cae n GLY 71 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3cae n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cae s LEU 72 N -1.66 4.27 -0.30 0.99 2.96 -1.26 -4.44 118.68 119.24 3cae s LEU 72 Ca 0.00 0.73 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 3cae s LEU 72 Cb 0.00 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 44.12 3cae s LEU 72 CO 0.00 0.04 0.05 0.86 -1.32 0.00 0.00 176.35 175.98 3cae s TRP 73 N 0.52 3.18 0.89 5.38 -0.00 -1.26 -5.10 118.94 122.55 3cae s TRP 73 Ca 0.23 -1.35 -0.12 0.00 -0.00 0.00 0.00 56.10 54.86 3cae s TRP 73 Cb -0.15 -2.20 0.18 0.00 -0.00 0.00 0.00 33.47 31.30 3cae s TRP 73 CO 0.08 -0.68 1.23 -1.21 -0.00 0.00 0.00 176.95 176.37 3cae s GLU 74 N 1.40 0.96 -0.03 5.86 0.41 -1.26 -4.95 118.70 121.09 3cae s GLU 74 Ca -0.00 -0.57 -0.25 0.00 -0.41 0.00 0.00 54.97 53.73 3cae s GLU 74 Cb -0.18 -1.98 -0.20 0.00 -1.78 0.00 0.00 34.13 29.99 3cae s GLU 74 CO 0.01 -2.13 1.19 1.03 -0.49 0.00 0.00 175.26 174.87 3cae h SER 75 N -1.33 0.10 -0.10 -0.19 0.87 -1.99 -2.71 113.55 108.21 3cae h SER 75 Ca -0.42 -0.58 0.04 0.00 -1.23 0.00 0.00 61.79 59.60 3cae h SER 75 Cb 1.25 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.12 3cae h SER 75 CO 0.40 0.67 -0.25 0.44 -0.53 0.00 0.00 176.83 177.55 3cae h ASP 76 N -0.46 -0.77 -0.80 6.23 3.32 -2.00 -1.23 116.42 120.71 3cae h ASP 76 Ca 0.00 0.12 0.19 0.00 0.02 0.00 0.00 57.03 57.36 3cae h ASP 76 Cb 0.65 0.33 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 3cae h ASP 76 CO 0.01 -0.31 0.02 -0.78 -1.72 0.00 0.00 179.24 176.47 3cae h ASP 77 N -0.34 -0.35 0.88 6.45 -0.00 -1.95 0.16 116.42 121.26 3cae h ASP 77 Ca 0.09 0.21 -0.04 0.00 -0.00 0.00 0.00 57.03 57.29 3cae h ASP 77 Cb 0.47 0.36 0.01 0.00 -0.00 0.00 0.00 39.33 40.17 3cae h ASP 77 CO -0.29 -0.20 -0.42 0.03 -0.00 0.00 0.00 179.24 178.36 3cae h ARG 78 N 0.10 -1.14 -0.65 0.28 3.08 -0.91 0.16 114.38 115.30 3cae h ARG 78 Ca 0.45 0.08 0.14 0.00 0.07 0.00 0.00 59.98 60.71 3cae h ARG 78 Cb 0.82 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 31.02 3cae h ARG 78 CO -0.71 -0.75 0.05 0.87 -1.07 0.00 0.00 179.97 178.36 3cae h LYS 79 N -1.27 0.16 -0.17 0.04 1.57 -0.62 0.49 116.57 116.76 3cae h LYS 79 Ca -0.12 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3cae h LYS 79 Cb 0.91 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3cae h LYS 79 CO 0.20 0.10 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.86 3cae h LYS 80 N 0.16 -0.09 -0.20 3.15 3.64 -0.60 0.14 116.57 122.77 3cae h LYS 80 Ca 0.35 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 3cae h LYS 80 Cb 0.57 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3cae h LYS 80 CO -0.52 -0.06 0.14 1.25 -2.27 0.00 0.00 179.45 177.99 3cae h HIS 81 N -0.09 0.03 0.04 1.91 2.76 0.11 -1.83 115.15 118.08 3cae h HIS 81 Ca 0.10 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 58.04 3cae h HIS 81 Cb 0.24 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 3cae h HIS 81 CO -0.24 0.02 -1.01 -0.07 -1.30 0.00 0.00 177.93 175.32 3cae h LEU 82 N 0.03 0.40 -0.11 0.26 3.38 0.44 -2.72 115.31 116.99 3cae h LEU 82 Ca 0.09 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3cae h LEU 82 Cb 0.34 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3cae h LEU 82 CO -0.00 1.19 0.05 -0.07 0.09 0.00 0.00 178.44 179.70 3cae h LEU 83 N 0.14 0.14 -0.92 1.67 3.38 0.02 -2.87 115.31 116.86 3cae h LEU 83 Ca -0.08 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3cae h LEU 83 Cb 1.68 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.33 3cae h LEU 83 CO 0.17 0.23 0.59 0.40 0.09 0.00 0.00 178.44 179.91 3cae h ILE 84 N 0.04 1.09 -0.80 1.22 2.04 -1.52 0.21 117.51 119.79 3cae h ILE 84 Ca 0.04 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3cae h ILE 84 Cb 0.13 -0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.07 3cae h ILE 84 CO -0.00 0.20 0.53 0.03 0.00 0.00 0.00 178.15 178.90 3cae h ARG 85 N 1.10 0.97 0.00 2.37 3.08 -1.32 0.38 114.38 120.96 3cae h ARG 85 Ca 0.39 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 3cae h ARG 85 Cb 0.11 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3cae h ARG 85 CO -0.15 0.64 -0.01 0.93 -1.07 0.00 0.00 179.97 180.31 3cae h GLU 86 N 1.00 0.00 0.00 0.04 5.08 -1.02 -3.20 114.58 116.49 3cae h GLU 86 Ca 0.32 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3cae h GLU 86 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3cae h GLU 86 CO -0.09 0.83 0.00 1.96 -1.00 0.00 0.00 179.01 180.71 3cae h GLN 87 N -0.82 0.00 -1.85 2.33 4.20 -0.53 -3.37 115.11 115.07 3cae h GLN 87 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3cae h GLN 87 Cb 0.83 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.24 3cae h GLN 87 CO 0.00 0.00 -1.04 0.72 -0.67 0.00 0.00 178.83 177.84 3cae n HIS 88 N -2.82 -0.72 -0.02 2.96 8.25 0.13 -4.97 115.22 118.03 3cae n HIS 88 Ca 0.02 -3.36 0.00 0.00 -0.26 0.00 0.00 57.72 54.13 3cae n HIS 88 Cb 0.32 -0.11 0.31 0.00 1.12 0.00 0.00 29.99 31.64 3cae n HIS 88 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3cae h PRO 89 N 4.17 0.57 -0.56 -0.41 0.13 -1.73 -2.95 132.00 131.23 3cae h PRO 89 Ca 0.07 -0.10 0.05 0.00 -0.87 0.00 0.00 66.00 65.16 3cae h PRO 89 Cb 0.90 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 3cae h PRO 89 CO 0.44 0.54 0.37 1.05 -0.23 0.00 0.00 178.00 180.16 3cae h GLU 90 N 0.56 0.53 -6.54 0.86 9.09 -1.93 -3.42 114.58 113.73 3cae h GLU 90 Ca 0.13 -0.03 -0.53 0.00 0.05 0.00 0.00 59.36 58.98 3cae h GLU 90 Cb 0.23 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.21 3cae h GLU 90 CO -0.00 0.35 0.47 -0.51 0.05 0.00 0.00 179.01 179.37 3cae s LEU 91 N -9.49 4.43 -0.60 3.06 1.43 -1.12 -5.01 118.68 111.39 3cae s LEU 91 Ca -0.08 1.95 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 3cae s LEU 91 Cb 0.19 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.96 3cae s LEU 91 CO 0.75 -0.30 0.56 -0.62 0.23 0.00 0.00 176.35 176.97 3cae s ASP 92 N 0.53 6.30 -0.18 2.29 -1.08 -1.26 -5.03 116.67 118.22 3cae s ASP 92 Ca 0.53 -1.94 -0.03 0.00 -0.52 0.00 0.00 52.55 50.59 3cae s ASP 92 Cb -0.27 -2.22 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 3cae s ASP 92 CO 0.31 -0.82 -0.06 -0.63 0.52 0.00 0.00 175.17 174.49 3cae s ILE 93 N 1.40 3.45 0.11 4.11 1.01 -1.26 -0.42 121.20 129.59 3cae s ILE 93 Ca 0.06 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.30 3cae s ILE 93 Cb -0.26 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3cae s ILE 93 CO 0.01 0.46 -0.20 -0.13 0.00 0.00 0.00 174.94 175.09 3cae s ARG 94 N 0.93 1.11 0.03 2.79 0.52 0.18 -4.68 118.95 119.83 3cae s ARG 94 Ca -0.01 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.04 3cae s ARG 94 Cb -0.15 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 3cae s ARG 94 CO 0.01 0.30 0.06 0.42 0.02 0.00 0.00 175.30 176.11 3cae s ILE 95 N -1.32 4.52 -0.22 1.52 1.01 -1.04 -0.50 121.20 125.18 3cae s ILE 95 Ca 0.07 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3cae s ILE 95 Cb -0.09 -3.10 0.05 0.00 0.01 0.00 0.00 42.46 39.33 3cae s ILE 95 CO 0.04 0.27 -0.07 -0.69 0.00 0.00 0.00 174.94 174.50 3cae s VAL 96 N -1.24 1.50 0.23 2.92 1.01 -0.55 -1.53 120.40 122.73 3cae s VAL 96 Ca 0.24 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 3cae s VAL 96 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3cae s VAL 96 CO 0.16 -0.00 0.43 -0.36 0.00 0.00 0.00 175.10 175.32 3cae s PHE 97 N 1.43 3.48 0.27 5.22 0.40 0.12 -1.20 117.98 127.69 3cae s PHE 97 Ca -0.04 0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.67 3cae s PHE 97 Cb -0.18 -1.87 0.36 0.00 0.51 0.00 0.00 43.02 41.85 3cae s PHE 97 CO -0.07 0.33 1.69 0.77 0.70 0.00 0.00 175.22 178.64 3cae h SER 98 N 1.78 0.50 -1.30 1.36 0.02 -1.73 0.28 113.55 114.46 3cae h SER 98 Ca -0.48 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.28 3cae h SER 98 Cb 1.20 -0.14 -0.24 0.00 0.14 0.00 0.00 62.40 63.36 3cae h SER 98 CO 0.67 0.78 -0.36 -0.55 -1.14 0.00 0.00 176.83 176.22 3cae s SER 99 N -6.82 -0.83 0.09 3.07 0.15 -1.26 -4.30 113.70 103.81 3cae s SER 99 Ca -0.07 0.54 0.23 0.00 0.70 0.00 0.00 55.95 57.35 3cae s SER 99 Cb 0.13 1.78 0.92 0.00 -1.71 0.00 0.00 66.02 67.14 3cae s SER 99 CO 0.80 -0.28 1.72 -1.54 1.20 0.00 0.00 173.24 175.13 3cae n SER 100 N 5.40 0.30 0.00 5.45 3.41 -1.26 -2.47 113.62 124.45 3cae n SER 100 Ca -0.01 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 3cae n SER 100 Cb 0.51 -0.62 0.78 0.00 -0.26 0.00 0.00 64.21 64.62 3cae n SER 100 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cae n ARG 101 N -1.80 0.89 -2.59 4.33 1.74 -1.26 -1.72 116.66 116.25 3cae n ARG 101 Ca 0.05 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.76 3cae n ARG 101 Cb 0.28 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 3cae n ARG 101 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cae s THR 102 N -2.00 3.80 0.30 0.55 2.01 -1.03 -4.82 115.64 114.45 3cae s THR 102 Ca 0.40 1.44 -0.15 0.00 0.31 0.00 0.00 61.69 63.68 3cae s THR 102 Cb 0.18 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 3cae s THR 102 CO 0.31 0.06 0.72 -0.54 -0.69 0.00 0.00 174.62 174.48 3cae s LYS 103 N -2.32 4.01 0.32 4.92 -0.14 -1.26 0.25 119.74 125.51 3cae s LYS 103 Ca 0.55 0.65 0.04 0.00 -1.36 0.00 0.00 55.97 55.85 3cae s LYS 103 Cb -0.22 -2.49 0.54 0.00 -1.68 0.00 0.00 37.83 33.97 3cae s LYS 103 CO 0.28 0.19 1.83 -0.07 -0.76 0.00 0.00 175.35 176.82 3cae h LEU 104 N 2.39 0.50 -7.79 3.17 3.38 -1.71 -3.45 115.31 111.79 3cae h LEU 104 Ca -0.48 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.27 3cae h LEU 104 Cb 1.18 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.63 3cae h LEU 104 CO 0.66 0.62 -0.41 -0.31 0.09 0.00 0.00 178.44 179.09 3cae s TYR 105 N -4.83 0.11 0.10 1.13 1.51 -1.26 -5.00 117.35 109.12 3cae s TYR 105 Ca -0.07 -0.42 -0.35 0.00 -1.01 0.00 0.00 57.07 55.22 3cae s TYR 105 Cb 0.15 -0.06 -0.14 0.00 -0.11 0.00 0.00 41.96 41.80 3cae s TYR 105 CO 0.77 -0.46 1.58 1.17 -1.11 0.00 0.00 175.55 177.51 3cae n LYS 106 N 0.42 1.96 0.00 -0.62 4.81 -1.26 -0.64 118.16 122.83 3cae n LYS 106 Ca -0.17 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 3cae n LYS 106 Cb 0.60 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.19 3cae n LYS 106 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cae n GLY 107 N 3.42 2.97 3.72 3.14 0.00 -1.26 -4.98 105.19 112.19 3cae n GLY 107 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3cae n GLY 107 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cae s SER 108 N -2.50 6.38 0.28 1.61 0.15 0.19 -4.89 113.70 114.92 3cae s SER 108 Ca 0.00 2.86 0.09 0.00 0.70 0.00 0.00 55.95 59.61 3cae s SER 108 Cb 0.00 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 62.12 3cae s SER 108 CO 0.00 -0.98 1.64 1.55 1.20 0.00 0.00 173.24 176.65 3cae h PRO 109 N 7.05 0.06 -6.61 5.44 0.13 -1.94 -3.45 132.00 132.68 3cae h PRO 109 Ca -0.43 -0.04 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 3cae h PRO 109 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 3cae h PRO 109 CO 0.96 0.61 0.66 0.99 -0.23 0.00 0.00 178.00 180.99 3cae s THR 110 N -3.77 3.34 0.28 1.56 2.01 -1.26 -4.99 115.64 112.80 3cae s THR 110 Ca -0.02 1.03 0.10 0.00 0.31 0.00 0.00 61.69 63.11 3cae s THR 110 Cb 0.13 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 3cae s THR 110 CO 0.76 0.12 -0.00 -0.94 -0.69 0.00 0.00 174.62 173.87 3cae s SER 111 N 0.67 4.46 0.09 3.53 1.04 -1.26 -2.04 113.70 120.19 3cae s SER 111 Ca 0.60 -0.72 -0.21 0.00 0.48 0.00 0.00 55.95 56.10 3cae s SER 111 Cb -0.36 -0.76 -0.06 0.00 0.10 0.00 0.00 66.02 64.93 3cae s SER 111 CO 0.34 -0.05 1.35 1.88 0.98 0.00 0.00 173.24 177.74 3cae h TYR 112 N 1.87 -1.12 -0.71 5.02 0.99 -0.16 0.29 116.97 123.14 3cae h TYR 112 Ca -0.44 0.06 0.14 0.00 2.00 0.00 0.00 58.73 60.49 3cae h TYR 112 Cb 1.25 0.54 -0.10 0.00 1.00 0.00 0.00 36.73 39.42 3cae h TYR 112 CO 0.69 -0.30 0.22 0.78 -0.00 0.00 0.00 178.16 179.55 3cae h GLY 113 N -0.20 1.01 0.75 3.88 0.00 -1.60 0.17 103.07 107.08 3cae h GLY 113 Ca 0.06 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.35 3cae h GLY 113 CO -0.43 -0.13 0.29 0.83 0.00 0.00 0.00 176.54 177.10 3cae h GLU 114 N 0.34 0.55 -0.03 4.80 5.08 -1.34 0.28 114.58 124.27 3cae h GLU 114 Ca 0.39 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.73 3cae h GLU 114 Cb 0.61 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3cae h GLU 114 CO -0.44 0.36 -0.08 0.35 -1.00 0.00 0.00 179.01 178.20 3cae h PHE 115 N 0.57 -0.21 -0.18 4.33 3.57 0.22 0.44 116.94 125.68 3cae h PHE 115 Ca 0.24 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3cae h PHE 115 Cb 0.12 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3cae h PHE 115 CO -0.09 -0.13 -0.15 0.00 -2.23 0.00 0.00 178.31 175.71 3cae h GLU 117 N 0.27 0.53 0.00 0.00 4.57 0.18 0.68 114.58 120.81 3cae h GLU 117 Ca 0.05 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3cae h GLU 117 Cb 0.44 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3cae h GLU 117 CO 0.03 0.75 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.38 3cae h LYS 118 N 0.27 0.00 -0.14 1.92 3.64 0.94 -2.39 116.57 120.82 3cae h LYS 118 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3cae h LYS 118 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3cae h LYS 118 CO 0.03 0.01 0.00 0.72 -2.27 0.00 0.00 179.45 177.94 3cae n HIS 119 N -3.34 0.18 -2.30 1.91 8.25 -0.50 -5.00 115.22 114.42 3cae n HIS 119 Ca -0.03 -0.32 -0.06 0.00 -0.26 0.00 0.00 57.72 57.05 3cae n HIS 119 Cb 0.10 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3cae n HIS 119 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cae n GLY 120 N 0.23 0.23 3.43 -1.41 0.00 0.64 -5.01 105.19 103.30 3cae n GLY 120 Ca 0.06 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 3cae n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cae s ILE 121 N -2.51 5.25 0.31 -0.61 1.01 0.21 -5.01 121.20 119.84 3cae s ILE 121 Ca 0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 3cae s ILE 121 Cb -0.02 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3cae s ILE 121 CO 0.06 -0.42 1.43 -0.54 0.00 0.00 0.00 174.94 175.46 3cae s LYS 122 N 1.67 4.24 0.37 2.79 1.02 -1.26 -4.39 119.74 124.18 3cae s LYS 122 Ca 0.05 2.37 -0.04 0.00 0.02 0.00 0.00 55.97 58.36 3cae s LYS 122 Cb -0.21 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 3cae s LYS 122 CO 0.09 -0.40 0.56 1.97 -0.92 0.00 0.00 175.35 176.65 3cae n PHE 123 N 1.39 -1.66 -3.85 3.18 1.16 -1.26 -2.50 117.46 113.93 3cae n PHE 123 Ca 0.03 -2.31 -0.03 0.00 -1.87 0.00 0.00 57.45 53.27 3cae n PHE 123 Cb 0.40 0.64 0.01 0.00 -1.61 0.00 0.00 39.48 38.92 3cae n PHE 123 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3cae s ALA 124 N -2.67 -1.60 -0.05 1.98 0.00 -0.58 -4.96 121.76 113.87 3cae s ALA 124 Ca 0.27 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.03 3cae s ALA 124 Cb -0.02 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 3cae s ALA 124 CO 0.20 -1.06 -0.14 -0.51 0.00 0.00 0.00 175.76 174.24 3cae s ASP 125 N -3.30 4.03 0.00 0.00 1.01 -1.26 0.13 116.67 117.28 3cae s ASP 125 Ca 0.20 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.26 3cae s ASP 125 Cb -0.02 -0.89 0.00 0.00 1.01 0.00 0.00 42.92 43.02 3cae s ASP 125 CO 0.05 0.34 0.00 0.29 0.21 0.00 0.00 175.17 176.05 3cae n LYS 126 N 2.37 0.00 -3.89 8.23 5.02 0.97 -4.73 118.16 126.13 3cae n LYS 126 Ca -0.17 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.03 3cae n LYS 126 Cb 0.52 -0.14 -0.08 0.00 -0.02 0.00 0.00 35.03 35.31 3cae n LYS 126 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cae s LEU 127 N 0.00 1.57 -0.15 -0.35 1.02 -1.26 -4.97 118.68 114.54 3cae s LEU 127 Ca 0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 54.13 53.26 3cae s LEU 127 Cb 0.00 0.87 -0.04 0.00 0.02 0.00 0.00 46.19 47.03 3cae s LEU 127 CO 0.00 -0.64 1.74 -0.63 0.02 0.00 0.00 176.35 176.84 3cae s ILE 128 N -3.35 3.50 0.08 -0.59 1.01 -1.26 -4.91 121.20 115.67 3cae s ILE 128 Ca 0.01 0.58 -0.36 0.00 0.00 0.00 0.00 60.65 60.88 3cae s ILE 128 Cb 0.03 -3.48 -0.16 0.00 0.01 0.00 0.00 42.46 38.86 3cae s ILE 128 CO -0.08 -0.18 1.44 -2.65 0.00 0.00 0.00 174.94 173.47 3cae n PRO 129 N 7.68 1.43 0.21 2.79 -0.02 -1.26 -4.79 135.00 141.04 3cae n PRO 129 Ca 0.20 0.52 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 3cae n PRO 129 Cb 0.44 -2.20 0.78 0.00 -0.02 0.00 0.00 33.50 32.50 3cae n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cae h ALA 130 N 5.17 1.89 -0.88 3.55 0.00 -2.00 0.89 119.26 127.88 3cae h ALA 130 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3cae h ALA 130 Cb 1.31 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3cae h ALA 130 CO 0.82 -0.21 0.53 0.93 0.00 0.00 0.00 179.25 181.32 3cae h GLU 131 N 0.00 1.20 0.59 0.00 4.39 -1.98 -1.37 114.58 117.40 3cae h GLU 131 Ca 0.07 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3cae h GLU 131 Cb 0.33 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3cae h GLU 131 CO -0.00 0.84 -0.30 -1.49 -1.16 0.00 0.00 179.01 176.90 3cae h TRP 132 N 1.22 -0.78 -0.21 4.33 4.06 -1.16 -1.91 115.95 121.49 3cae h TRP 132 Ca 0.32 -0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.31 3cae h TRP 132 Cb -0.04 0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 3cae h TRP 132 CO 0.01 -0.48 0.29 0.82 -3.56 0.00 0.00 178.44 175.52 3cae h ILE 133 N -0.82 0.34 0.00 1.49 2.04 -1.39 -0.09 117.51 119.09 3cae h ILE 133 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3cae h ILE 133 Cb 0.63 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3cae h ILE 133 CO 0.12 0.00 -0.52 0.29 0.00 0.00 0.00 178.15 178.05 3cae n LYS 134 N -3.59 0.11 -1.97 2.37 5.02 -0.54 -4.92 118.16 114.65 3cae n LYS 134 Ca 0.03 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.96 3cae n LYS 134 Cb 0.41 -1.57 0.02 0.00 -0.02 0.00 0.00 35.03 33.87 3cae n LYS 134 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3cae s GLU 135 N -3.06 3.48 0.21 1.97 2.02 -0.05 -4.93 118.70 118.34 3cae s GLU 135 Ca 0.09 2.10 -0.32 0.00 0.02 0.00 0.00 54.97 56.86 3cae s GLU 135 Cb 0.16 -2.40 -0.13 0.00 0.10 0.00 0.00 34.13 31.86 3cae s GLU 135 CO 0.70 -0.87 1.65 -0.35 0.02 0.00 0.00 175.26 176.41 3cae n PRO 136 N -0.64 2.56 -1.55 0.39 -0.04 -1.26 -4.85 135.00 129.60 3cae n PRO 136 Ca 0.08 0.92 -0.44 0.00 -0.04 0.00 0.00 63.50 64.02 3cae n PRO 136 Cb 0.45 -2.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.17 3cae n PRO 136 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cae n LYS 137 N 3.53 1.10 -4.12 0.54 4.81 -1.26 -4.95 118.16 117.80 3cae n LYS 137 Ca 0.15 0.39 -0.15 0.00 -0.87 0.00 0.00 58.31 57.83 3cae n LYS 137 Cb 0.33 -1.73 -0.11 0.00 0.02 0.00 0.00 35.03 33.54 3cae n LYS 137 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3cae s LYS 138 N -1.54 0.69 0.67 1.64 -2.85 0.19 -5.01 119.74 113.52 3cae s LYS 138 Ca 0.60 -0.90 -0.16 0.00 -1.00 0.00 0.00 55.97 54.51 3cae s LYS 138 Cb -0.70 -0.53 0.01 0.00 -2.06 0.00 0.00 37.83 34.55 3cae s LYS 138 CO 0.59 0.10 1.17 -1.21 0.10 0.00 0.00 175.35 176.11 3cae s GLU 139 N -1.86 2.59 -0.07 1.78 0.41 -1.26 -4.27 118.70 116.01 3cae s GLU 139 Ca -0.04 1.66 0.01 0.00 -0.41 0.00 0.00 54.97 56.19 3cae s GLU 139 Cb -0.09 -1.90 0.02 0.00 -1.78 0.00 0.00 34.13 30.38 3cae s GLU 139 CO 0.01 -1.47 -0.10 0.08 -0.49 0.00 0.00 175.26 173.30 3cae s VAL 140 N -1.99 1.02 -1.25 2.63 1.01 -1.26 -4.99 120.40 115.58 3cae s VAL 140 Ca 0.73 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 3cae s VAL 140 Cb -0.27 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3cae s VAL 140 CO 0.40 0.34 2.08 -0.81 0.00 0.00 0.00 175.10 177.11 3cae n PRO 141 N 4.13 2.48 0.10 2.72 -0.04 -1.26 -4.77 135.00 138.35 3cae n PRO 141 Ca -0.21 -2.48 0.19 0.00 -0.04 0.00 0.00 63.50 60.97 3cae n PRO 141 Cb 0.51 -3.24 0.75 0.00 -0.04 0.00 0.00 33.50 31.48 3cae n PRO 141 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3cae h PHE 142 N 6.86 0.00 0.33 0.54 -1.00 -1.97 -1.21 116.94 120.49 3cae h PHE 142 Ca 0.50 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.28 3cae h PHE 142 Cb 0.69 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 3cae h PHE 142 CO 1.39 0.00 -0.32 -0.44 -1.61 0.00 0.00 178.31 177.33 3cae h ASP 143 N 0.00 -0.85 0.10 2.17 3.32 -2.02 -0.10 116.42 119.04 3cae h ASP 143 Ca 0.18 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3cae h ASP 143 Cb 0.84 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3cae h ASP 143 CO -0.00 -0.45 0.00 0.54 -1.72 0.00 0.00 179.24 177.61 3cae n ARG 144 N -5.43 0.15 -3.98 3.56 5.12 -0.48 -4.71 116.66 110.90 3cae n ARG 144 Ca -0.09 0.61 -0.24 0.00 -1.93 0.00 0.00 57.85 56.20 3cae n ARG 144 Cb 0.34 -1.96 -0.03 0.00 -1.16 0.00 0.00 32.46 29.65 3cae n ARG 144 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3cae s LEU 145 N -4.53 4.25 0.33 0.55 1.43 -0.05 -5.12 118.68 115.54 3cae s LEU 145 Ca -0.02 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3cae s LEU 145 Cb 0.07 -2.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 3cae s LEU 145 CO 0.23 0.01 0.02 -0.54 0.23 0.00 0.00 176.35 176.29 3cae s LYS 146 N -3.51 2.14 0.49 1.70 1.02 -1.26 -4.92 119.74 115.39 3cae s LYS 146 Ca 0.34 -1.67 0.05 0.00 0.02 0.00 0.00 55.97 54.71 3cae s LYS 146 Cb -0.10 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.20 3cae s LYS 146 CO 0.28 0.18 0.17 -0.98 -0.92 0.00 0.00 175.35 174.07 3cae s ARG 147 N -3.72 2.20 0.00 1.68 1.70 -1.26 -5.15 118.95 114.40 3cae s ARG 147 Ca 0.34 -2.12 0.26 0.00 -0.47 0.00 0.00 55.73 53.74 3cae s ARG 147 Cb -0.02 -1.83 0.56 0.00 -0.57 0.00 0.00 34.95 33.10 3cae s ARG 147 CO 0.20 -0.35 1.47 0.36 -1.08 0.00 0.00 175.30 175.90