#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cae h GLY 18 N 0.00 -0.47 1.00 3.03 0.00 -2.04 0.73 103.07 105.32 3cae h GLY 18 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3cae h GLY 18 CO 0.00 -0.17 0.39 -2.00 0.00 0.00 0.00 176.54 174.76 3cae h LEU 19 N -0.81 0.71 -0.63 3.11 5.85 -2.05 0.16 115.31 121.65 3cae h LEU 19 Ca -0.05 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3cae h LEU 19 Cb 0.52 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3cae h LEU 19 CO 0.07 0.53 0.40 -0.33 -0.34 0.00 0.00 178.44 178.78 3cae h GLU 20 N 0.83 0.79 -0.13 1.25 5.08 -1.97 -0.63 114.58 119.78 3cae h GLU 20 Ca 0.22 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 3cae h GLU 20 Cb -0.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3cae h GLU 20 CO -0.05 0.52 -0.59 0.22 -1.00 0.00 0.00 179.01 178.12 3cae h ASP 21 N 0.81 0.49 0.24 1.42 1.82 0.98 -1.17 116.42 121.02 3cae h ASP 21 Ca 0.24 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 3cae h ASP 21 Cb -0.05 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 39.82 3cae h ASP 21 CO -0.07 0.97 -0.12 0.11 -1.61 0.00 0.00 179.24 178.52 3cae h LYS 22 N 0.33 -0.32 -0.88 0.28 1.57 -0.28 0.20 116.57 117.46 3cae h LYS 22 Ca -0.00 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3cae h LYS 22 Cb 1.12 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 3cae h LYS 22 CO 0.10 -0.19 0.56 0.28 -0.57 0.00 0.00 179.45 179.63 3cae h VAL 23 N -0.36 1.09 0.00 0.50 2.07 -1.05 0.91 116.25 119.40 3cae h VAL 23 Ca -0.03 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 3cae h VAL 23 Cb 0.27 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3cae h VAL 23 CO 0.06 0.19 -0.46 0.77 0.02 0.00 0.00 177.57 178.14 3cae h SER 24 N 1.04 0.00 0.46 0.57 4.64 -0.99 -2.74 113.55 116.53 3cae h SER 24 Ca 0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 3cae h SER 24 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3cae h SER 24 CO -0.15 0.46 -0.22 0.11 -0.87 0.00 0.00 176.83 176.16 3cae h LYS 25 N 0.00 -0.59 -0.68 4.77 1.57 0.12 -1.12 116.57 120.63 3cae h LYS 25 Ca -0.00 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 3cae h LYS 25 Cb 0.96 0.14 -0.13 0.00 0.08 0.00 0.00 32.23 33.28 3cae h LYS 25 CO 0.06 -0.32 -0.10 0.37 -0.57 0.00 0.00 179.45 178.88 3cae h GLN 26 N -1.08 0.04 -0.61 3.15 4.15 -0.94 0.28 115.11 120.09 3cae h GLN 26 Ca -0.06 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 3cae h GLN 26 Cb 0.54 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3cae h GLN 26 CO 0.10 0.02 0.38 -0.07 -1.93 0.00 0.00 178.83 177.34 3cae h LEU 27 N 0.04 0.73 0.20 -2.39 3.38 -1.49 -0.49 115.31 115.28 3cae h LEU 27 Ca 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 3cae h LEU 27 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3cae h LEU 27 CO -0.66 0.56 -0.10 -0.08 0.09 0.00 0.00 178.44 178.25 3cae h GLU 28 N 0.83 -0.26 0.20 1.13 4.57 0.18 0.15 114.58 121.38 3cae h GLU 28 Ca 0.22 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 3cae h GLU 28 Cb -0.04 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3cae h GLU 28 CO -0.04 -0.09 -0.25 0.66 -1.18 0.00 0.00 179.01 178.11 3cae h SER 29 N -0.37 -0.67 0.00 1.04 4.64 -0.90 -0.75 113.55 116.53 3cae h SER 29 Ca -0.03 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3cae h SER 29 Cb 0.29 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3cae h SER 29 CO 0.04 -0.35 0.11 0.29 -0.87 0.00 0.00 176.83 176.06 3cae n LYS 30 N -5.37 0.09 -1.28 4.77 5.02 -0.20 -4.80 118.16 116.38 3cae n LYS 30 Ca -0.08 0.56 -0.00 0.00 -2.02 0.00 0.00 58.31 56.77 3cae n LYS 30 Cb 0.28 -1.90 -0.00 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.32 0.38 3.58 0.72 0.00 -0.29 -4.99 105.19 103.27 3cae n GLY 31 Ca -0.01 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.01 4.01 -0.22 -0.61 -1.09 0.45 -4.97 121.20 116.77 3cae s ILE 32 Ca 0.00 0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 59.04 3cae s ILE 32 Cb 0.00 -4.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.13 3cae s ILE 32 CO 0.00 -1.34 1.68 -0.75 -1.23 0.00 0.00 174.94 173.30 3cae s LYS 33 N 4.96 3.73 0.10 2.79 2.20 -1.26 -4.59 119.74 127.67 3cae s LYS 33 Ca 0.43 1.69 -0.03 0.00 -0.36 0.00 0.00 55.97 57.70 3cae s LYS 33 Cb -0.07 -4.07 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 3cae s LYS 33 CO 0.26 -1.38 0.07 -0.59 -0.36 0.00 0.00 175.35 173.35 3cae s PHE 34 N 5.48 0.59 -0.23 4.03 -0.12 -1.26 -5.15 117.98 121.32 3cae s PHE 34 Ca 0.74 -1.04 -0.07 0.00 -0.05 0.00 0.00 56.93 56.52 3cae s PHE 34 Cb -0.26 -0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 41.76 3cae s PHE 34 CO 0.30 -0.50 0.05 -1.21 -0.05 0.00 0.00 175.22 173.82 3cae s GLU 35 N -3.97 3.67 -0.25 1.99 2.02 -1.26 -5.09 118.70 115.81 3cae s GLU 35 Ca 0.15 -0.48 -0.12 0.00 0.02 0.00 0.00 54.97 54.54 3cae s GLU 35 Cb 0.07 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 31.01 3cae s GLU 35 CO -0.04 -0.08 0.22 -0.47 0.02 0.00 0.00 175.26 174.91 3cae s TYR 36 N 1.30 3.28 -1.27 1.61 5.04 -1.26 -4.60 117.35 121.45 3cae s TYR 36 Ca 0.05 0.25 -0.05 0.00 -2.44 0.00 0.00 57.07 54.87 3cae s TYR 36 Cb -0.15 -2.37 0.01 0.00 0.35 0.00 0.00 41.96 39.80 3cae s TYR 36 CO 0.03 -0.06 0.09 0.39 -1.34 0.00 0.00 175.55 174.66 3cae n GLU 37 N 4.72 -0.85 -0.10 4.97 1.02 -1.26 -4.85 120.64 124.29 3cae n GLU 37 Ca -0.13 0.06 -0.18 0.00 -0.02 0.00 0.00 57.16 56.89 3cae n GLU 37 Cb 0.52 -2.85 -0.13 0.00 -0.02 0.00 0.00 31.44 28.96 3cae n GLU 37 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3cae n GLU 38 N -4.11 0.67 -4.28 3.49 4.07 -1.26 -4.98 120.64 114.24 3cae n GLU 38 Ca -0.25 0.16 -0.31 0.00 -0.06 0.00 0.00 57.16 56.70 3cae n GLU 38 Cb 0.57 -1.56 -0.09 0.00 -0.06 0.00 0.00 31.44 30.30 3cae n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 3cae s TRP 39 N -2.53 2.92 -0.07 4.31 0.52 -1.26 -5.11 118.94 117.72 3cae s TRP 39 Ca -0.30 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 55.80 3cae s TRP 39 Cb 0.08 -1.56 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 3cae s TRP 39 CO 0.66 0.43 -0.13 0.15 0.02 0.00 0.00 176.95 178.08 3cae s LYS 40 N -1.90 2.78 -0.46 4.98 1.02 -1.26 -5.09 119.74 119.81 3cae s LYS 40 Ca 0.21 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.34 3cae s LYS 40 Cb -0.11 -2.47 0.04 0.00 -0.52 0.00 0.00 37.83 34.77 3cae s LYS 40 CO 0.13 0.51 0.50 0.08 -0.92 0.00 0.00 175.35 175.65 3cae s VAL 41 N -0.42 5.03 -0.12 3.17 1.01 -1.26 -5.02 120.40 122.79 3cae s VAL 41 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 3cae s VAL 41 Cb -0.12 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 3cae s VAL 41 CO 0.02 -0.58 1.88 -2.84 0.00 0.00 0.00 175.10 173.58 3cae s PRO 42 N 2.26 3.80 0.37 2.72 0.02 -1.26 -4.95 135.00 137.97 3cae s PRO 42 Ca 0.12 2.13 0.06 0.00 0.02 0.00 0.00 61.00 63.33 3cae s PRO 42 Cb -0.19 -4.15 -0.02 0.00 0.02 0.00 0.00 34.50 30.16 3cae s PRO 42 CO 0.12 -1.32 0.21 2.48 -0.33 0.00 0.00 177.00 178.16 3cae n TYR 43 N 8.76 -0.29 -3.79 6.54 0.18 -1.26 -5.18 117.16 122.12 3cae n TYR 43 Ca 0.22 -2.70 -0.12 0.00 1.88 0.00 0.00 57.90 57.17 3cae n TYR 43 Cb 0.43 0.13 -0.09 0.00 -0.38 0.00 0.00 39.34 39.44 3cae n TYR 43 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3cae s SER 44 N -3.42 -0.12 0.05 9.48 0.15 -1.26 -5.17 113.70 113.41 3cae s SER 44 Ca 0.30 -0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 3cae s SER 44 Cb 0.01 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 3cae s SER 44 CO 0.21 -0.47 0.20 0.21 1.20 0.00 0.00 173.24 174.59 3cae s ASN 45 N -1.52 0.04 -0.13 5.45 3.84 -1.26 -5.04 114.94 116.32 3cae s ASN 45 Ca -0.12 -0.42 0.19 0.00 0.21 0.00 0.00 52.86 52.72 3cae s ASN 45 Cb -0.05 0.30 0.31 0.00 -0.55 0.00 0.00 41.25 41.26 3cae s ASN 45 CO 0.02 -0.60 1.17 -0.46 -2.79 0.00 0.00 177.10 174.44 3cae n ASN 46 N 0.52 2.47 -0.05 -4.21 0.23 -1.26 -4.88 115.26 108.07 3cae n ASN 46 Ca -0.18 -3.07 -0.03 0.00 -0.53 0.00 0.00 54.58 50.77 3cae n ASN 46 Cb 0.60 -0.43 -0.02 0.00 -2.08 0.00 0.00 39.78 37.84 3cae n ASN 46 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 3cae h GLN 47 N 0.15 -0.06 -3.28 -3.83 -0.00 -2.07 -3.17 115.11 102.85 3cae h GLN 47 Ca 0.00 0.00 -0.72 0.00 -0.00 0.00 0.00 58.65 57.93 3cae h GLN 47 Cb 1.03 0.01 -0.34 0.00 0.00 0.00 0.00 27.48 28.18 3cae h GLN 47 CO 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 178.83 178.86 3cae n GLN 48 N -3.36 2.93 -2.95 1.69 10.64 -1.26 -4.82 117.38 120.25 3cae n GLN 48 Ca -0.00 -4.49 -0.01 0.00 -1.83 0.00 0.00 57.00 50.66 3cae n GLN 48 Cb 0.07 -2.44 0.00 0.00 -0.86 0.00 0.00 30.24 27.02 3cae n GLN 48 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3cae s ASN 49 N -0.10 -1.38 -0.26 2.61 0.01 -1.20 -5.12 114.94 109.51 3cae s ASN 49 Ca 0.29 -1.18 0.02 0.00 -0.71 0.00 0.00 52.86 51.29 3cae s ASN 49 Cb -0.06 1.78 0.05 0.00 0.41 0.00 0.00 41.25 43.44 3cae s ASN 49 CO -0.10 -0.10 -0.10 -0.31 -1.51 0.00 0.00 177.10 174.98 3cae s TYR 50 N 1.36 3.23 -0.08 2.20 1.51 -1.26 -5.01 117.35 119.29 3cae s TYR 50 Ca 0.23 -2.19 -0.22 0.00 -1.01 0.00 0.00 57.07 53.87 3cae s TYR 50 Cb -0.01 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 3cae s TYR 50 CO -0.07 -0.86 0.64 -1.54 -1.11 0.00 0.00 175.55 172.62 3cae s SER 51 N 1.14 6.91 0.11 2.29 1.04 -1.26 -5.03 113.70 118.90 3cae s SER 51 Ca -0.07 1.09 -0.30 0.00 0.48 0.00 0.00 55.95 57.15 3cae s SER 51 Cb -0.19 -2.38 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 3cae s SER 51 CO -0.05 -0.09 1.15 -0.94 0.98 0.00 0.00 173.24 174.29 3cae s SER 52 N 0.75 7.16 0.37 7.02 1.04 -1.26 -5.03 113.70 123.76 3cae s SER 52 Ca 0.34 2.04 0.05 0.00 0.48 0.00 0.00 55.95 58.86 3cae s SER 52 Cb -0.17 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.34 3cae s SER 52 CO 0.16 -0.36 0.17 1.41 0.98 0.00 0.00 173.24 175.60 3cae n HIS 53 N 3.26 -0.08 -3.92 5.02 8.25 -1.26 -5.18 115.22 121.31 3cae n HIS 53 Ca 0.06 -2.56 -0.10 0.00 -0.26 0.00 0.00 57.72 54.86 3cae n HIS 53 Cb 0.46 0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.52 3cae n HIS 53 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3cae s THR 54 N -3.09 0.07 -0.16 1.59 -4.23 -1.26 -5.14 115.64 103.42 3cae s THR 54 Ca 0.24 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 3cae s THR 54 Cb 0.01 -0.21 0.04 0.00 1.34 0.00 0.00 72.50 73.68 3cae s THR 54 CO 0.17 -0.30 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.44 3cae s TYR 55 N -0.92 1.51 -0.53 3.99 5.04 -1.26 -5.10 117.35 120.08 3cae s TYR 55 Ca -0.10 -0.94 -0.16 0.00 -2.44 0.00 0.00 57.07 53.42 3cae s TYR 55 Cb -0.06 -1.23 0.11 0.00 0.35 0.00 0.00 41.96 41.13 3cae s TYR 55 CO -0.00 -0.58 0.50 0.99 -1.34 0.00 0.00 175.55 175.12 3cae s THR 56 N 1.70 5.15 0.90 4.34 2.01 -1.26 -5.06 115.64 123.41 3cae s THR 56 Ca 0.01 -1.28 -0.11 0.00 0.31 0.00 0.00 61.69 60.63 3cae s THR 56 Cb -0.15 -4.30 0.13 0.00 0.01 0.00 0.00 72.50 68.19 3cae s THR 56 CO -0.07 -0.82 1.15 -2.65 -0.69 0.00 0.00 174.62 171.54 3cae n PRO 57 N 5.41 -0.33 -0.03 4.92 -0.02 -1.26 -4.94 135.00 138.76 3cae n PRO 57 Ca -0.13 -0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.20 3cae n PRO 57 Cb 0.41 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.70 0.09 -4.33 2.55 3.32 -1.65 -3.46 116.42 111.25 3cae h ASP 58 Ca -0.44 -0.53 -0.49 0.00 0.02 0.00 0.00 57.03 55.60 3cae h ASP 58 Cb 1.28 -0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.57 3cae h ASP 58 CO 0.42 0.60 -0.80 -0.36 -1.72 0.00 0.00 179.24 177.38 3cae s PHE 59 N -4.09 1.47 -0.23 4.55 0.40 0.71 -4.96 117.98 115.83 3cae s PHE 59 Ca -0.16 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 3cae s PHE 59 Cb 0.02 -0.84 0.06 0.00 0.51 0.00 0.00 43.02 42.78 3cae s PHE 59 CO 0.70 0.10 -0.04 -1.17 0.70 0.00 0.00 175.22 175.51 3cae s LEU 60 N -1.60 2.41 0.45 -0.37 2.96 -1.26 0.11 118.68 121.38 3cae s LEU 60 Ca 0.03 -1.15 -0.19 0.00 -0.22 0.00 0.00 54.13 52.60 3cae s LEU 60 Cb -0.09 -1.10 -0.10 0.00 0.50 0.00 0.00 46.19 45.40 3cae s LEU 60 CO 0.03 -0.25 0.94 -0.76 -1.32 0.00 0.00 176.35 174.99 3cae s LEU 61 N 1.45 3.84 0.26 -0.68 1.43 0.25 -4.94 118.68 120.29 3cae s LEU 61 Ca -0.05 1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.63 3cae s LEU 61 Cb -0.19 -4.48 0.51 0.00 0.03 0.00 0.00 46.19 42.07 3cae s LEU 61 CO -0.07 -0.43 1.74 -0.65 0.23 0.00 0.00 176.35 177.18 3cae h PRO 62 N 1.58 0.49 0.00 1.29 0.11 -1.95 0.63 132.00 134.16 3cae h PRO 62 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3cae h PRO 62 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cae h PRO 62 CO 0.62 0.33 0.00 0.27 -0.21 0.00 0.00 178.00 179.00 3cae n ASN 63 N -4.96 0.00 0.00 -2.05 0.23 -1.26 -4.75 115.26 102.47 3cae n ASN 63 Ca 0.16 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.46 3cae n ASN 63 Cb 0.44 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 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 -0.75 0.42 3.71 4.83 0.00 0.22 -1.66 105.19 111.96 3cae n GLY 64 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.92 -0.05 -0.61 1.01 -1.22 -4.56 121.20 117.69 3cae s ILE 65 Ca 0.00 1.37 -0.13 0.00 0.00 0.00 0.00 60.65 61.90 3cae s ILE 65 Cb 0.00 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3cae s ILE 65 CO 0.00 0.10 0.33 -0.36 0.00 0.00 0.00 174.94 175.00 3cae s PHE 66 N 1.16 3.67 -0.05 3.97 0.40 0.13 -0.58 117.98 126.67 3cae s PHE 66 Ca 0.60 0.83 0.04 0.00 -0.60 0.00 0.00 56.93 57.80 3cae s PHE 66 Cb -0.30 -2.20 -0.00 0.00 0.51 0.00 0.00 43.02 41.02 3cae s PHE 66 CO 0.29 0.63 -0.17 0.08 0.70 0.00 0.00 175.22 176.75 3cae s VAL 67 N -0.91 1.44 -0.29 -0.44 1.01 0.12 -0.52 120.40 120.81 3cae s VAL 67 Ca 0.21 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3cae s VAL 67 Cb -0.15 -1.25 0.08 0.00 0.00 0.00 0.00 36.38 35.06 3cae s VAL 67 CO 0.10 0.42 0.00 -0.70 0.00 0.00 0.00 175.10 174.92 3cae s GLU 68 N 0.17 1.47 -0.09 2.72 2.56 -0.06 -0.21 118.70 125.26 3cae s GLU 68 Ca -0.07 -1.36 -0.30 0.00 0.00 0.00 0.00 54.97 53.24 3cae s GLU 68 Cb -0.13 -2.73 -0.02 0.00 2.00 0.00 0.00 34.13 33.25 3cae s GLU 68 CO 0.03 -0.79 1.10 0.95 -0.56 0.00 0.00 175.26 175.99 3cae s THR 69 N 1.23 4.54 -0.05 -1.70 -4.23 -1.26 -1.88 115.64 112.29 3cae s THR 69 Ca 0.03 1.83 0.01 0.00 -1.18 0.00 0.00 61.69 62.38 3cae s THR 69 Cb -0.19 -4.18 0.02 0.00 1.34 0.00 0.00 72.50 69.49 3cae s THR 69 CO -0.10 -0.01 -0.06 -0.75 -0.54 0.00 0.00 174.62 173.16 3cae s LYS 70 N 2.16 1.03 0.00 3.99 2.47 -0.80 -4.94 119.74 123.66 3cae s LYS 70 Ca 0.52 -0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.75 3cae s LYS 70 Cb -0.21 -0.98 0.00 0.00 -1.46 0.00 0.00 37.83 35.18 3cae s LYS 70 CO 0.19 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 176.05 3cae n GLY 71 N 4.03 1.66 3.74 5.54 0.00 -1.26 -2.42 105.19 116.49 3cae n GLY 71 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 4.57 -0.46 0.99 2.96 -1.26 -4.46 118.68 121.02 3cae s LEU 72 Ca 0.00 2.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.95 3cae s LEU 72 Cb 0.00 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 43.22 3cae s LEU 72 CO 0.00 -0.03 0.24 0.86 -1.32 0.00 0.00 176.35 176.11 3cae s TRP 73 N -0.74 2.31 1.10 5.38 -0.00 -1.26 -5.10 118.94 120.63 3cae s TRP 73 Ca 0.45 -2.63 -0.15 0.00 -0.00 0.00 0.00 56.10 53.76 3cae s TRP 73 Cb -0.27 -2.15 0.24 0.00 -0.00 0.00 0.00 33.47 31.29 3cae s TRP 73 CO 0.34 -0.77 1.10 -1.21 -0.00 0.00 0.00 176.95 176.41 3cae s GLU 74 N 0.17 -0.36 0.00 5.86 0.41 -1.26 -4.89 118.70 118.64 3cae s GLU 74 Ca 0.17 0.23 0.12 0.00 -0.41 0.00 0.00 54.97 55.09 3cae s GLU 74 Cb -0.25 -1.67 0.58 0.00 -1.78 0.00 0.00 34.13 31.01 3cae s GLU 74 CO 0.00 -3.20 1.36 0.45 -0.49 0.00 0.00 175.26 173.38 3cae n SER 75 N -4.45 0.00 -0.11 -0.19 2.88 -1.26 -2.81 113.62 107.68 3cae n SER 75 Ca 0.09 0.32 -0.14 0.00 -1.33 0.00 0.00 58.87 57.81 3cae n SER 75 Cb 0.58 -0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 63.50 3cae n SER 75 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3cae n ASP 76 N -1.40 0.93 0.26 -3.46 8.00 -1.26 -3.54 116.55 116.08 3cae n ASP 76 Ca 0.04 -0.04 0.14 0.00 0.71 0.00 0.00 54.79 55.64 3cae n ASP 76 Cb 0.12 0.31 0.66 0.00 -0.02 0.00 0.00 41.12 42.19 3cae n ASP 76 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3cae h ASP 77 N 0.00 0.00 0.05 -2.24 -0.00 -1.89 -1.91 116.42 110.43 3cae h ASP 77 Ca -0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.48 3cae h ASP 77 Cb 2.09 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.42 3cae h ASP 77 CO -0.02 0.12 -0.03 0.03 -0.00 0.00 0.00 179.24 179.35 3cae h ARG 78 N 0.00 -0.07 -0.66 0.28 3.08 -1.65 -2.44 114.38 112.92 3cae h ARG 78 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3cae h ARG 78 Cb 0.50 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.52 3cae h ARG 78 CO 0.02 0.38 0.38 0.87 -1.07 0.00 0.00 179.97 180.55 3cae h LYS 79 N -0.55 0.69 -0.98 0.04 1.57 -1.50 -1.68 116.57 114.16 3cae h LYS 79 Ca -0.01 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3cae h LYS 79 Cb 0.49 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 3cae h LYS 79 CO 0.01 0.46 0.64 -0.22 -0.57 0.00 0.00 179.45 179.77 3cae h LYS 80 N 0.71 1.21 0.51 3.15 3.64 -1.36 -1.24 116.57 123.19 3cae h LYS 80 Ca 0.29 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3cae h LYS 80 Cb 0.14 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3cae h LYS 80 CO -0.16 0.80 -0.24 1.25 -2.27 0.00 0.00 179.45 178.83 3cae h HIS 81 N 1.25 -0.63 -0.83 1.91 2.76 -0.81 0.19 115.15 118.98 3cae h HIS 81 Ca 0.39 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.68 3cae h HIS 81 Cb -0.01 0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.10 3cae h HIS 81 CO -0.00 -0.33 0.54 -0.07 -1.30 0.00 0.00 177.93 176.77 3cae h LEU 82 N -0.83 0.59 0.65 0.26 3.38 -1.32 -0.67 115.31 117.37 3cae h LEU 82 Ca -0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3cae h LEU 82 Cb 0.58 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.25 3cae h LEU 82 CO 0.11 0.31 -0.31 0.25 0.09 0.00 0.00 178.44 178.89 3cae h LEU 83 N 0.63 -0.74 -2.01 1.67 6.46 -0.90 -2.35 115.31 118.07 3cae h LEU 83 Ca 0.41 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.33 3cae h LEU 83 Cb 0.69 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 3cae h LEU 83 CO -0.17 -0.50 0.43 0.40 -0.62 0.00 0.00 178.44 177.99 3cae h ILE 84 N -0.95 0.51 0.45 4.05 2.04 -0.54 -1.58 117.51 121.50 3cae h ILE 84 Ca -0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3cae h ILE 84 Cb 0.67 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3cae h ILE 84 CO 0.15 0.00 -0.22 -0.09 0.00 0.00 0.00 178.15 177.99 3cae h ARG 85 N 0.00 -0.59 -0.57 2.37 2.43 -0.95 -0.12 114.38 116.96 3cae h ARG 85 Ca 0.23 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.53 3cae h ARG 85 Cb 1.09 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.70 3cae h ARG 85 CO -0.00 -0.28 0.18 0.93 -1.51 0.00 0.00 179.97 179.28 3cae h GLU 86 N -0.96 0.33 0.00 0.20 5.08 -0.77 -1.74 114.58 116.72 3cae h GLU 86 Ca -0.06 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3cae h GLU 86 Cb 0.58 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3cae h GLU 86 CO 0.10 0.22 -0.24 1.96 -1.00 0.00 0.00 179.01 180.05 3cae h GLN 87 N 0.34 0.00 -2.05 2.33 4.20 -1.41 -3.35 115.11 115.17 3cae h GLN 87 Ca 0.29 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.43 3cae h GLN 87 Cb 0.37 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.75 3cae h GLN 87 CO -0.32 0.24 -0.97 0.72 -0.67 0.00 0.00 178.83 177.83 3cae n HIS 88 N -3.34 0.77 0.34 2.96 8.25 -0.06 -4.89 115.22 119.24 3cae n HIS 88 Ca 0.01 -3.73 0.15 0.00 -0.26 0.00 0.00 57.72 53.88 3cae n HIS 88 Cb 0.47 -0.41 0.57 0.00 1.12 0.00 0.00 29.99 31.73 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 4.01 0.00 0.00 -0.41 0.13 -1.53 -2.78 132.00 131.42 3cae h PRO 89 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3cae h PRO 89 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3cae h PRO 89 CO 0.57 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.49 3cae n GLU 90 N -2.76 0.10 -4.02 0.86 0.00 -1.26 -4.82 120.64 108.74 3cae n GLU 90 Ca 0.02 0.04 -0.31 0.00 0.00 0.00 0.00 57.16 56.91 3cae n GLU 90 Cb 0.30 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.19 3cae n GLU 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3cae s LEU 91 N -2.89 3.94 -0.37 -1.84 1.43 -1.05 -4.93 118.68 112.96 3cae s LEU 91 Ca 0.16 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3cae s LEU 91 Cb 0.18 -2.60 0.05 0.00 0.03 0.00 0.00 46.19 43.85 3cae s LEU 91 CO 0.47 0.17 0.18 -0.62 0.23 0.00 0.00 176.35 176.78 3cae s ASP 92 N -2.43 5.53 -0.13 2.29 -1.08 -1.26 -5.06 116.67 114.53 3cae s ASP 92 Ca 0.31 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3cae s ASP 92 Cb -0.12 -1.95 0.02 0.00 -1.46 0.00 0.00 42.92 39.41 3cae s ASP 92 CO 0.23 -0.41 -0.11 -0.63 0.52 0.00 0.00 175.17 174.77 3cae s ILE 93 N 1.45 1.31 0.36 4.11 1.01 -1.26 0.17 121.20 128.34 3cae s ILE 93 Ca 0.01 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.26 3cae s ILE 93 Cb -0.20 -1.26 -0.07 0.00 0.01 0.00 0.00 42.46 40.94 3cae s ILE 93 CO 0.04 0.41 -0.04 -0.13 0.00 0.00 0.00 174.94 175.22 3cae s ARG 94 N 1.50 1.84 -0.07 2.79 0.52 0.33 -4.59 118.95 121.27 3cae s ARG 94 Ca 0.03 -1.99 0.05 0.00 -0.52 0.00 0.00 55.73 53.29 3cae s ARG 94 Cb -0.13 -1.56 -0.00 0.00 0.52 0.00 0.00 34.95 33.77 3cae s ARG 94 CO -0.08 0.03 -0.22 0.42 0.02 0.00 0.00 175.30 175.46 3cae s ILE 95 N -2.74 1.89 -0.50 1.52 1.01 -0.16 -0.89 121.20 121.34 3cae s ILE 95 Ca 0.34 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 3cae s ILE 95 Cb 0.06 -1.62 0.12 0.00 0.01 0.00 0.00 42.46 41.03 3cae s ILE 95 CO 0.17 0.53 0.41 -0.69 0.00 0.00 0.00 174.94 175.35 3cae s VAL 96 N 0.15 4.59 0.57 2.92 1.01 -0.79 -0.82 120.40 128.03 3cae s VAL 96 Ca -0.11 -1.69 -0.15 0.00 0.00 0.00 0.00 61.98 60.02 3cae s VAL 96 Cb -0.15 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 3cae s VAL 96 CO 0.06 -0.81 1.03 -0.36 0.00 0.00 0.00 175.10 175.01 3cae s PHE 97 N 1.43 3.24 -0.30 5.22 2.99 0.30 -1.90 117.98 128.97 3cae s PHE 97 Ca 0.05 1.47 0.19 0.00 0.00 0.00 0.00 56.93 58.64 3cae s PHE 97 Cb -0.27 -2.89 0.20 0.00 0.00 0.00 0.00 43.02 40.06 3cae s PHE 97 CO 0.01 -0.77 1.51 0.77 -0.00 0.00 0.00 175.22 176.73 3cae h SER 98 N 0.50 0.00 -0.63 1.36 0.02 -1.69 0.34 113.55 113.45 3cae h SER 98 Ca -0.46 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.59 3cae h SER 98 Cb 1.20 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.55 3cae h SER 98 CO 0.59 0.25 -0.22 -0.55 -1.14 0.00 0.00 176.83 175.76 3cae s SER 99 N -6.31 -1.02 0.03 3.07 0.15 -1.26 -4.47 113.70 103.88 3cae s SER 99 Ca 0.05 -0.02 0.12 0.00 0.70 0.00 0.00 55.95 56.80 3cae s SER 99 Cb 0.06 1.56 0.51 0.00 -1.71 0.00 0.00 66.02 66.45 3cae s SER 99 CO 0.71 -0.17 1.38 -1.54 1.20 0.00 0.00 173.24 174.82 3cae n SER 100 N 4.99 0.06 0.23 5.45 3.41 -1.26 -2.10 113.62 124.40 3cae n SER 100 Ca 0.07 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 3cae n SER 100 Cb 0.57 -0.53 0.47 0.00 -0.26 0.00 0.00 64.21 64.46 3cae n SER 100 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3cae h ARG 101 N 0.00 0.00 -6.77 4.33 2.47 -1.96 0.17 114.38 112.62 3cae h ARG 101 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 3cae h ARG 101 Cb 0.19 0.00 0.10 0.00 -1.65 0.00 0.00 29.97 28.62 3cae h ARG 101 CO 0.00 0.17 0.61 2.41 0.56 0.00 0.00 179.97 183.72 3cae n THR 102 N -3.30 1.80 -2.55 2.04 -1.04 -0.89 -4.67 114.28 105.67 3cae n THR 102 Ca 0.01 -0.45 -0.32 0.00 -2.04 0.00 0.00 64.05 61.25 3cae n THR 102 Cb 0.42 -1.68 -0.04 0.00 -1.82 0.00 0.00 70.33 67.22 3cae n THR 102 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3cae s LYS 103 N -1.65 3.91 0.57 -2.82 -0.14 -1.26 0.18 119.74 118.53 3cae s LYS 103 Ca 0.57 0.82 0.35 0.00 -1.36 0.00 0.00 55.97 56.35 3cae s LYS 103 Cb -0.55 -2.21 1.43 0.00 -1.68 0.00 0.00 37.83 34.81 3cae s LYS 103 CO 0.60 -0.19 1.68 -0.07 -0.76 0.00 0.00 175.35 176.61 3cae h LEU 104 N 1.07 0.00 -7.00 3.17 3.38 -0.53 -3.41 115.31 111.99 3cae h LEU 104 Ca -0.47 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.72 3cae h LEU 104 Cb 1.18 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.63 3cae h LEU 104 CO 0.62 0.00 0.93 -0.72 0.09 0.00 0.00 178.44 179.36 3cae s TYR 105 N -4.74 -0.04 -0.02 1.13 -0.85 -1.26 -4.74 117.35 106.83 3cae s TYR 105 Ca -0.04 0.08 -0.37 0.00 -0.52 0.00 0.00 57.07 56.22 3cae s TYR 105 Cb 0.20 0.49 -0.15 0.00 0.38 0.00 0.00 41.96 42.88 3cae s TYR 105 CO 0.69 -0.02 1.58 1.17 -1.52 0.00 0.00 175.55 177.44 3cae n LYS 106 N 1.13 1.52 0.00 -3.49 4.81 -1.26 -1.33 118.16 119.54 3cae n LYS 106 Ca -0.06 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3cae n LYS 106 Cb 0.58 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.36 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 3.43 1.06 3.54 3.14 0.00 -1.26 -5.11 105.19 110.00 3cae n GLY 107 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.86 4.20 0.33 1.61 0.15 -0.44 -5.00 113.70 112.69 3cae s SER 108 Ca 0.00 -0.43 0.23 0.00 0.70 0.00 0.00 55.95 56.45 3cae s SER 108 Cb 0.00 -0.74 0.19 0.00 -1.71 0.00 0.00 66.02 63.76 3cae s SER 108 CO 0.00 0.19 1.36 1.55 1.20 0.00 0.00 173.24 177.54 3cae h PRO 109 N 3.80 0.00 -6.40 5.44 0.13 -1.99 -3.45 132.00 129.53 3cae h PRO 109 Ca -0.49 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 3cae h PRO 109 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3cae h PRO 109 CO 0.50 0.00 -0.00 0.99 -0.23 0.00 0.00 178.00 179.26 3cae s THR 110 N -3.28 4.72 0.35 1.56 2.01 -1.26 -5.01 115.64 114.73 3cae s THR 110 Ca 0.04 1.09 0.08 0.00 0.31 0.00 0.00 61.69 63.21 3cae s THR 110 Cb 0.07 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 3cae s THR 110 CO 0.72 0.30 0.10 -0.94 -0.69 0.00 0.00 174.62 174.12 3cae s SER 111 N -1.56 4.47 0.14 3.53 1.04 -1.26 0.18 113.70 120.25 3cae s SER 111 Ca 0.38 -0.89 -0.26 0.00 0.48 0.00 0.00 55.95 55.65 3cae s SER 111 Cb -0.17 -0.62 -0.01 0.00 0.10 0.00 0.00 66.02 65.32 3cae s SER 111 CO 0.20 -0.31 1.60 1.88 0.98 0.00 0.00 173.24 177.58 3cae h TYR 112 N 1.62 -1.02 0.09 5.02 0.99 0.19 -1.06 116.97 122.80 3cae h TYR 112 Ca -0.43 0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.37 3cae h TYR 112 Cb 1.25 0.48 -0.04 0.00 1.00 0.00 0.00 36.73 39.42 3cae h TYR 112 CO 0.65 -0.42 -0.35 0.78 -0.00 0.00 0.00 178.16 178.82 3cae h GLY 113 N -0.38 -0.67 0.51 3.88 0.00 -1.20 -0.97 103.07 104.24 3cae h GLY 113 Ca 0.11 0.42 0.19 0.00 0.00 0.00 0.00 47.33 48.05 3cae h GLY 113 CO -0.43 -0.25 0.54 0.83 0.00 0.00 0.00 176.54 177.23 3cae h GLU 114 N -0.57 0.26 0.63 4.80 5.08 -1.67 0.25 114.58 123.36 3cae h GLU 114 Ca 0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3cae h GLU 114 Cb 0.61 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3cae h GLU 114 CO -0.23 0.17 -0.30 0.35 -1.00 0.00 0.00 179.01 178.00 3cae h PHE 115 N 0.26 -0.79 -0.99 4.33 3.57 -0.42 -1.43 116.94 121.48 3cae h PHE 115 Ca 0.39 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 62.10 3cae h PHE 115 Cb 1.15 0.26 -0.12 0.00 2.79 0.00 0.00 35.95 40.03 3cae h PHE 115 CO -0.00 -0.44 0.58 0.00 -2.23 0.00 0.00 178.31 176.22 3cae h GLU 117 N 0.61 0.35 -0.68 0.00 5.08 -0.61 1.09 114.58 120.43 3cae h GLU 117 Ca 0.62 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.84 3cae h GLU 117 Cb 1.12 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3cae h GLU 117 CO -0.46 0.67 0.44 -0.22 -1.00 0.00 0.00 179.01 178.44 3cae h LYS 118 N 0.02 0.85 -0.18 2.33 3.64 -0.18 -2.03 116.57 121.02 3cae h LYS 118 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3cae h LYS 118 Cb 0.57 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3cae h LYS 118 CO 0.03 0.56 0.00 0.72 -2.27 0.00 0.00 179.45 178.49 3cae n HIS 119 N -4.64 0.24 -3.42 1.91 8.25 -0.01 -4.93 115.22 112.61 3cae n HIS 119 Ca 0.06 -0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 57.21 3cae n HIS 119 Cb 0.05 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.23 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 1.04 -0.36 3.55 -1.41 0.00 0.17 -5.00 105.19 103.18 3cae n GLY 120 Ca 0.14 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.30 4.42 0.11 -0.61 1.01 0.35 -5.01 121.20 118.18 3cae s ILE 121 Ca 0.34 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 3cae s ILE 121 Cb -0.15 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 3cae s ILE 121 CO 0.66 0.44 1.10 -0.54 0.00 0.00 0.00 174.94 176.60 3cae s LYS 122 N 0.69 4.55 0.06 2.79 1.02 -1.26 -4.37 119.74 123.21 3cae s LYS 122 Ca 0.02 1.67 -0.12 0.00 0.02 0.00 0.00 55.97 57.56 3cae s LYS 122 Cb -0.14 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 3cae s LYS 122 CO 0.02 -0.03 0.25 -0.59 -0.92 0.00 0.00 175.35 174.09 3cae s PHE 123 N 0.32 -0.01 0.33 3.18 -0.12 -1.26 -0.98 117.98 119.43 3cae s PHE 123 Ca 0.52 -0.22 0.06 0.00 -0.05 0.00 0.00 56.93 57.24 3cae s PHE 123 Cb -0.28 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3cae s PHE 123 CO 0.32 -0.50 0.24 0.00 -0.05 0.00 0.00 175.22 175.22 3cae s ALA 124 N -2.88 1.94 -0.04 1.99 0.00 0.00 -4.96 121.76 117.81 3cae s ALA 124 Ca -0.03 -1.90 0.07 0.00 0.00 0.00 0.00 51.96 50.10 3cae s ALA 124 Cb 0.00 1.36 -0.01 0.00 0.00 0.00 0.00 23.12 24.47 3cae s ALA 124 CO -0.05 -0.60 -0.25 -0.51 0.00 0.00 0.00 175.76 174.34 3cae s ASP 125 N -3.38 2.99 0.00 0.00 1.01 -1.26 -0.54 116.67 115.49 3cae s ASP 125 Ca 0.38 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.15 3cae s ASP 125 Cb 0.03 -0.66 0.00 0.00 1.01 0.00 0.00 42.92 43.30 3cae s ASP 125 CO 0.24 0.26 0.00 0.29 0.21 0.00 0.00 175.17 176.17 3cae n LYS 126 N 2.79 0.00 -4.28 8.23 5.02 0.12 -4.71 118.16 125.34 3cae n LYS 126 Ca -0.17 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.94 3cae n LYS 126 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.42 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 2.46 -0.38 -0.35 1.02 -1.26 -4.98 118.68 115.20 3cae s LEU 127 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 54.13 52.97 3cae s LEU 127 Cb 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 46.19 45.63 3cae s LEU 127 CO 0.00 -0.17 1.50 -0.63 0.02 0.00 0.00 176.35 177.07 3cae s ILE 128 N -2.48 3.82 0.42 -0.59 1.01 -1.26 -4.86 121.20 117.25 3cae s ILE 128 Ca 0.14 0.85 -0.22 0.00 0.00 0.00 0.00 60.65 61.41 3cae s ILE 128 Cb -0.03 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 3cae s ILE 128 CO 0.04 -0.64 0.43 -2.65 0.00 0.00 0.00 174.94 172.12 3cae n PRO 129 N 8.07 0.41 0.00 2.79 -0.02 -1.26 -4.88 135.00 140.12 3cae n PRO 129 Ca 0.18 0.15 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 3cae n PRO 129 Cb 0.47 -1.38 0.07 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.65 0.75 -0.54 3.55 0.00 -2.00 -3.05 119.26 118.62 3cae h ALA 130 Ca -0.39 -0.49 0.11 0.00 0.00 0.00 0.00 54.91 54.13 3cae h ALA 130 Cb 1.41 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 3cae h ALA 130 CO 0.50 0.68 0.03 0.93 0.00 0.00 0.00 179.25 181.39 3cae h GLU 131 N 0.43 0.14 -0.08 0.00 4.39 -1.97 -0.38 114.58 117.12 3cae h GLU 131 Ca 0.02 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3cae h GLU 131 Cb 1.04 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 3cae h GLU 131 CO 0.10 0.09 -0.18 -1.49 -1.16 0.00 0.00 179.01 176.37 3cae h TRP 132 N 0.15 -0.46 -1.00 4.33 4.06 -1.90 -1.90 115.95 119.23 3cae h TRP 132 Ca 0.28 0.02 0.10 0.00 2.06 0.00 0.00 58.89 61.35 3cae h TRP 132 Cb 0.42 0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.72 3cae h TRP 132 CO -0.31 -0.25 0.64 0.82 -3.56 0.00 0.00 178.44 175.78 3cae h ILE 133 N -0.25 0.99 -0.19 1.49 2.04 -1.16 -1.93 117.51 118.51 3cae h ILE 133 Ca 0.08 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3cae h ILE 133 Cb 0.36 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3cae h ILE 133 CO -0.22 0.19 0.00 0.29 0.00 0.00 0.00 178.15 178.41 3cae n LYS 134 N -4.56 1.77 -2.27 2.37 5.02 -0.29 -4.86 118.16 115.34 3cae n LYS 134 Ca 0.17 -0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 55.32 3cae n LYS 134 Cb 0.28 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.62 3.71 0.17 1.97 2.02 -0.73 -4.98 118.70 119.24 3cae s GLU 135 Ca 0.15 1.06 -0.31 0.00 0.02 0.00 0.00 54.97 55.88 3cae s GLU 135 Cb 0.09 -2.10 -0.10 0.00 0.10 0.00 0.00 34.13 32.13 3cae s GLU 135 CO 0.07 -0.48 1.54 -1.25 0.02 0.00 0.00 175.26 175.17 3cae s PRO 136 N -4.05 4.23 0.40 0.39 0.04 -1.26 -4.81 135.00 129.94 3cae s PRO 136 Ca 0.61 2.33 -0.27 0.00 0.04 0.00 0.00 61.00 63.71 3cae s PRO 136 Cb -0.12 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 3cae s PRO 136 CO 0.33 -0.58 1.47 1.17 0.04 0.00 0.00 177.00 179.44 3cae n LYS 137 N 3.85 2.55 -4.08 4.56 4.81 -1.26 -4.95 118.16 123.64 3cae n LYS 137 Ca 0.13 0.90 -0.14 0.00 -0.87 0.00 0.00 58.31 58.33 3cae n LYS 137 Cb 0.39 -2.66 -0.12 0.00 0.02 0.00 0.00 35.03 32.66 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 -2.22 0.55 0.97 1.64 -2.85 -0.67 -5.04 119.74 112.12 3cae s LYS 138 Ca 0.56 -0.73 -0.11 0.00 -1.00 0.00 0.00 55.97 54.68 3cae s LYS 138 Cb -0.47 -0.35 0.13 0.00 -2.06 0.00 0.00 37.83 35.09 3cae s LYS 138 CO 0.62 0.07 0.86 0.39 0.10 0.00 0.00 175.35 177.38 3cae n GLU 139 N 1.55 -0.68 -3.72 1.78 -0.58 -1.26 -4.34 120.64 113.40 3cae n GLU 139 Ca -0.22 -0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.20 3cae n GLU 139 Cb 0.55 -2.17 -0.17 0.00 -0.57 0.00 0.00 31.44 29.08 3cae n GLU 139 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3cae s VAL 140 N -2.52 -0.09 -1.39 2.62 1.01 -1.26 -4.96 120.40 113.81 3cae s VAL 140 Ca 0.64 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.80 3cae s VAL 140 Cb -0.22 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.04 3cae s VAL 140 CO 0.62 0.14 2.27 -0.81 0.00 0.00 0.00 175.10 177.32 3cae n PRO 141 N 4.78 2.77 0.28 2.72 -0.04 -1.26 -4.79 135.00 139.46 3cae n PRO 141 Ca -0.15 -2.45 0.16 0.00 -0.04 0.00 0.00 63.50 61.02 3cae n PRO 141 Cb 0.50 -3.18 0.76 0.00 -0.04 0.00 0.00 33.50 31.54 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 6.12 0.00 -0.50 0.54 -1.00 -1.98 -0.64 116.94 119.49 3cae h PHE 142 Ca 0.58 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.34 3cae h PHE 142 Cb 0.60 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.14 3cae h PHE 142 CO 1.49 0.00 0.21 -0.44 -1.61 0.00 0.00 178.31 177.96 3cae h ASP 143 N 0.00 0.68 0.00 2.17 3.32 -2.04 -1.31 116.42 119.24 3cae h ASP 143 Ca 0.04 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3cae h ASP 143 Cb 0.83 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3cae h ASP 143 CO -0.00 0.65 0.00 0.54 -1.72 0.00 0.00 179.24 178.71 3cae n ARG 144 N -4.57 0.48 -4.26 3.56 5.12 -0.25 -4.72 116.66 112.03 3cae n ARG 144 Ca 0.02 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.74 3cae n ARG 144 Cb 0.15 -1.15 -0.13 0.00 -1.16 0.00 0.00 32.46 30.17 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 -1.30 2.23 -0.16 0.55 1.43 -0.50 -5.13 118.68 115.80 3cae s LEU 145 Ca 0.07 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 3cae s LEU 145 Cb 0.03 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 3cae s LEU 145 CO 0.05 -0.02 0.03 -0.54 0.23 0.00 0.00 176.35 176.10 3cae s LYS 146 N -1.49 3.77 -0.26 1.70 1.02 -1.26 -4.96 119.74 118.26 3cae s LYS 146 Ca -0.00 -0.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 3cae s LYS 146 Cb -0.09 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 3cae s LYS 146 CO 0.02 0.32 0.34 -0.98 -0.92 0.00 0.00 175.35 174.14 3cae s ARG 147 N 0.20 4.04 0.00 1.68 1.70 -1.26 -5.11 118.95 120.20 3cae s ARG 147 Ca 0.02 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 3cae s ARG 147 Cb -0.13 -3.63 0.00 0.00 -0.57 0.00 0.00 34.95 30.62 3cae s ARG 147 CO 0.01 -0.21 0.34 0.36 -1.08 0.00 0.00 175.30 174.72