#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 -1.17 0.22 3.03 0.00 -2.05 -1.66 103.07 101.43 3cae h GLY 18 Ca 0.00 0.64 0.16 0.00 0.00 0.00 0.00 47.33 48.12 3cae h GLY 18 CO 0.00 -0.29 0.50 -2.00 0.00 0.00 0.00 176.54 174.75 3cae h LEU 19 N -0.65 0.63 -0.21 3.11 5.85 -2.05 0.14 115.31 122.13 3cae h LEU 19 Ca -0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3cae h LEU 19 Cb 0.66 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3cae h LEU 19 CO -0.26 0.26 0.13 -0.33 -0.34 0.00 0.00 178.44 177.90 3cae h GLU 20 N 0.69 0.29 -0.59 1.25 5.08 -1.88 0.64 114.58 120.05 3cae h GLU 20 Ca 0.50 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.77 3cae h GLU 20 Cb 0.70 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3cae h GLU 20 CO -0.36 0.22 0.13 0.22 -1.00 0.00 0.00 179.01 178.22 3cae h ASP 21 N 0.27 0.90 -0.47 1.42 1.82 -0.29 0.19 116.42 120.25 3cae h ASP 21 Ca 0.08 -0.24 -0.05 0.00 -0.39 0.00 0.00 57.03 56.43 3cae h ASP 21 Cb 0.01 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.76 3cae h ASP 21 CO -0.01 0.91 0.14 0.11 -1.61 0.00 0.00 179.24 178.77 3cae h LYS 22 N 0.85 0.80 -0.02 0.28 1.57 -0.52 -1.70 116.57 117.83 3cae h LYS 22 Ca 0.18 -0.15 -0.24 0.00 -1.87 0.00 0.00 60.65 58.57 3cae h LYS 22 Cb 0.37 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3cae h LYS 22 CO 0.00 0.71 -0.96 0.28 -0.57 0.00 0.00 179.45 178.91 3cae h VAL 23 N 0.77 1.33 -0.09 0.50 2.07 -0.50 -2.72 116.25 117.60 3cae h VAL 23 Ca 0.17 -2.28 -0.13 0.00 0.82 0.00 0.00 66.70 65.28 3cae h VAL 23 Cb 0.27 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3cae h VAL 23 CO -0.00 0.70 -0.52 0.77 0.02 0.00 0.00 177.57 178.53 3cae h SER 24 N 0.35 0.27 0.22 0.57 4.64 -0.43 -2.33 113.55 116.83 3cae h SER 24 Ca -0.10 -0.14 -0.17 0.00 -0.47 0.00 0.00 61.79 60.92 3cae h SER 24 Cb 1.60 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 3cae h SER 24 CO 0.18 0.75 -0.65 0.11 -0.87 0.00 0.00 176.83 176.35 3cae h LYS 25 N 0.20 0.41 0.13 4.77 1.57 -1.37 -1.13 116.57 121.14 3cae h LYS 25 Ca 0.00 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3cae h LYS 25 Cb 0.99 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3cae h LYS 25 CO 0.08 0.92 -0.10 0.37 -0.57 0.00 0.00 179.45 180.14 3cae h GLN 26 N 0.29 -0.24 0.52 3.15 4.15 -1.27 0.97 115.11 122.69 3cae h GLN 26 Ca -0.01 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3cae h GLN 26 Cb 1.19 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 3cae h GLN 26 CO 0.11 -0.16 -0.41 -0.07 -1.93 0.00 0.00 178.83 176.37 3cae h LEU 27 N -0.25 -1.09 -1.41 -2.39 3.38 -1.37 -2.16 115.31 110.03 3cae h LEU 27 Ca -0.00 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.21 3cae h LEU 27 Cb 0.22 0.35 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3cae h LEU 27 CO -0.01 -0.59 0.56 -0.33 0.09 0.00 0.00 178.44 178.16 3cae h GLU 28 N -0.91 0.53 0.00 1.13 5.08 -0.99 0.24 114.58 119.67 3cae h GLU 28 Ca -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3cae h GLU 28 Cb 0.78 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3cae h GLU 28 CO -0.00 0.35 0.00 -1.13 -1.00 0.00 0.00 179.01 177.23 3cae n SER 29 N -4.53 0.40 -0.17 1.42 3.41 0.33 -1.46 113.62 113.03 3cae n SER 29 Ca 0.17 0.61 0.05 0.00 -0.26 0.00 0.00 58.87 59.44 3cae n SER 29 Cb 0.54 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3cae n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cae n LYS 30 N -1.96 2.51 -2.59 4.33 5.02 0.72 -5.00 118.16 121.19 3cae n LYS 30 Ca 0.02 -0.46 -0.10 0.00 -2.02 0.00 0.00 58.31 55.75 3cae n LYS 30 Cb 0.17 -1.04 0.02 0.00 -0.02 0.00 0.00 35.03 34.16 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 0.95 0.15 3.65 0.72 0.00 -0.40 -4.98 105.19 105.28 3cae n GLY 31 Ca 0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.81 4.37 -1.10 -0.61 -1.09 -0.95 -4.94 121.20 114.07 3cae s ILE 32 Ca 0.13 1.64 -0.22 0.00 -2.23 0.00 0.00 60.65 59.97 3cae s ILE 32 Cb -0.06 -4.12 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 3cae s ILE 32 CO 0.17 -0.22 1.64 -0.75 -1.23 0.00 0.00 174.94 174.55 3cae s LYS 33 N 3.54 3.46 0.42 2.79 2.20 -1.26 -4.70 119.74 126.19 3cae s LYS 33 Ca 0.52 -1.26 0.07 0.00 -0.36 0.00 0.00 55.97 54.94 3cae s LYS 33 Cb -0.19 -5.36 -0.04 0.00 -1.51 0.00 0.00 37.83 30.74 3cae s LYS 33 CO 0.14 -2.54 0.26 -0.59 -0.36 0.00 0.00 175.35 172.26 3cae s PHE 34 N 6.00 2.60 -0.10 4.03 -0.12 -1.26 -5.13 117.98 123.99 3cae s PHE 34 Ca 0.54 -0.57 -0.00 0.00 -0.05 0.00 0.00 56.93 56.85 3cae s PHE 34 Cb 0.00 -2.04 -0.03 0.00 -0.63 0.00 0.00 43.02 40.33 3cae s PHE 34 CO -0.02 0.04 -0.08 -1.21 -0.05 0.00 0.00 175.22 173.90 3cae s GLU 35 N -4.01 3.11 -0.22 1.99 2.02 -1.26 -5.11 118.70 115.22 3cae s GLU 35 Ca 0.43 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.79 3cae s GLU 35 Cb 0.01 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 3cae s GLU 35 CO 0.24 0.46 0.00 -0.47 0.02 0.00 0.00 175.26 175.51 3cae s TYR 36 N -0.25 3.02 -0.88 1.61 5.04 -1.26 -4.72 117.35 119.90 3cae s TYR 36 Ca 0.03 -0.63 -0.16 0.00 -2.44 0.00 0.00 57.07 53.87 3cae s TYR 36 Cb -0.13 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.07 3cae s TYR 36 CO 0.03 -0.39 0.31 0.39 -1.34 0.00 0.00 175.55 174.55 3cae n GLU 37 N 4.63 -0.63 -0.10 4.97 1.02 -1.26 -4.84 120.64 124.43 3cae n GLU 37 Ca -0.17 -0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 56.76 3cae n GLU 37 Cb 0.51 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 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 -3.62 0.62 -4.77 3.49 4.07 -1.26 -5.03 120.64 114.15 3cae n GLU 38 Ca -0.12 0.10 -0.32 0.00 -0.06 0.00 0.00 57.16 56.76 3cae n GLU 38 Cb 0.40 -1.40 -0.12 0.00 -0.06 0.00 0.00 31.44 30.25 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 -2.40 2.73 -0.32 4.31 0.52 -1.26 -5.10 118.94 117.41 3cae s TRP 39 Ca -0.25 -0.14 -0.09 0.00 0.02 0.00 0.00 56.10 55.64 3cae s TRP 39 Cb 0.07 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.78 3cae s TRP 39 CO 0.49 0.24 0.15 0.15 0.02 0.00 0.00 176.95 178.00 3cae s LYS 40 N -0.95 3.18 -0.35 4.98 1.02 -1.26 -5.08 119.74 121.28 3cae s LYS 40 Ca 0.13 -0.82 -0.25 0.00 0.02 0.00 0.00 55.97 55.05 3cae s LYS 40 Cb -0.11 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.64 3cae s LYS 40 CO 0.02 -0.48 0.87 0.08 -0.92 0.00 0.00 175.35 174.92 3cae s VAL 41 N 1.58 4.66 0.44 3.17 1.01 -1.26 -5.04 120.40 124.96 3cae s VAL 41 Ca 0.04 1.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 3cae s VAL 41 Cb -0.18 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 3cae s VAL 41 CO 0.06 -0.46 0.97 -2.84 0.00 0.00 0.00 175.10 172.83 3cae s PRO 42 N 3.29 4.12 0.25 2.72 0.02 -1.26 -5.06 135.00 139.08 3cae s PRO 42 Ca 0.36 1.19 -0.20 0.00 0.02 0.00 0.00 61.00 62.36 3cae s PRO 42 Cb -0.13 -2.17 0.07 0.00 0.02 0.00 0.00 34.50 32.29 3cae s PRO 42 CO 0.17 -0.13 0.95 1.52 -0.33 0.00 0.00 177.00 179.18 3cae s TYR 43 N -2.12 0.07 -0.12 6.54 -0.85 -1.26 -5.15 117.35 114.46 3cae s TYR 43 Ca 0.63 -0.56 -0.00 0.00 -0.52 0.00 0.00 57.07 56.62 3cae s TYR 43 Cb -0.11 0.74 0.03 0.00 0.38 0.00 0.00 41.96 43.00 3cae s TYR 43 CO 0.15 -1.13 -0.07 -1.54 -1.52 0.00 0.00 175.55 171.44 3cae s SER 44 N -3.27 2.32 0.11 -0.18 1.04 -1.26 -5.11 113.70 107.35 3cae s SER 44 Ca 0.19 -0.38 -0.25 0.00 0.48 0.00 0.00 55.95 55.99 3cae s SER 44 Cb -0.03 -0.85 -0.07 0.00 0.10 0.00 0.00 66.02 65.16 3cae s SER 44 CO 0.07 -0.13 0.76 0.21 0.98 0.00 0.00 173.24 175.13 3cae s ASN 45 N 1.69 7.31 0.04 7.02 3.84 -1.26 -5.06 114.94 128.52 3cae s ASN 45 Ca 0.04 1.55 0.07 0.00 0.21 0.00 0.00 52.86 54.73 3cae s ASN 45 Cb -0.13 -2.48 -0.03 0.00 -0.55 0.00 0.00 41.25 38.06 3cae s ASN 45 CO -0.08 0.14 -0.16 0.54 -2.79 0.00 0.00 177.10 174.75 3cae s ASN 46 N -0.73 3.93 0.41 -4.21 4.22 -1.26 -5.12 114.94 112.18 3cae s ASN 46 Ca 0.36 -0.40 0.04 0.00 -2.14 0.00 0.00 52.86 50.73 3cae s ASN 46 Cb -0.22 -0.68 -0.05 0.00 1.28 0.00 0.00 41.25 41.59 3cae s ASN 46 CO 0.25 0.25 0.04 -1.10 -2.04 0.00 0.00 177.10 174.50 3cae s GLN 47 N -1.51 1.92 -0.13 3.55 1.11 -1.26 -5.14 119.66 118.20 3cae s GLN 47 Ca 0.15 -2.13 0.00 0.00 0.01 0.00 0.00 55.36 53.39 3cae s GLN 47 Cb -0.11 -1.20 0.02 0.00 -1.01 0.00 0.00 33.01 30.72 3cae s GLN 47 CO 0.06 -0.24 -0.12 1.14 0.01 0.00 0.00 175.29 176.14 3cae s GLN 48 N -3.80 1.98 0.55 2.91 1.03 -1.26 -5.11 119.66 115.96 3cae s GLN 48 Ca 0.26 -0.43 -0.12 0.00 0.04 0.00 0.00 55.36 55.11 3cae s GLN 48 Cb 0.06 -1.88 -0.05 0.00 0.03 0.00 0.00 33.01 31.16 3cae s GLN 48 CO 0.13 -0.24 0.97 -0.80 -2.54 0.00 0.00 175.29 172.81 3cae s ASN 49 N 1.56 6.38 -0.17 12.60 0.02 -1.26 -5.05 114.94 129.01 3cae s ASN 49 Ca 0.05 1.39 -0.02 0.00 -1.02 0.00 0.00 52.86 53.26 3cae s ASN 49 Cb -0.13 -2.45 0.05 0.00 0.02 0.00 0.00 41.25 38.75 3cae s ASN 49 CO -0.09 -0.71 -0.00 -0.31 0.02 0.00 0.00 177.10 176.00 3cae s TYR 50 N -2.89 1.28 -0.24 2.20 1.51 -1.26 -5.10 117.35 112.85 3cae s TYR 50 Ca 0.55 -0.90 -0.11 0.00 -1.01 0.00 0.00 57.07 55.60 3cae s TYR 50 Cb -0.11 -1.12 -0.05 0.00 -0.11 0.00 0.00 41.96 40.58 3cae s TYR 50 CO 0.44 -0.59 0.19 -1.12 -1.11 0.00 0.00 175.55 173.36 3cae s SER 51 N 1.77 6.15 0.35 2.29 0.01 -1.26 -5.05 113.70 117.96 3cae s SER 51 Ca -0.00 0.16 -0.28 0.00 1.31 0.00 0.00 55.95 57.14 3cae s SER 51 Cb -0.16 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 63.85 3cae s SER 51 CO -0.07 0.05 1.21 -0.94 0.41 0.00 0.00 173.24 173.89 3cae s SER 52 N 1.07 6.79 0.24 2.44 1.04 -1.26 -5.01 113.70 119.01 3cae s SER 52 Ca 0.09 2.47 -0.03 0.00 0.48 0.00 0.00 55.95 58.96 3cae s SER 52 Cb -0.14 -2.63 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 3cae s SER 52 CO 0.05 -0.50 0.26 -1.00 0.98 0.00 0.00 173.24 173.03 3cae s HIS 53 N -1.24 1.01 -0.01 5.02 3.76 -1.26 -5.18 115.29 117.39 3cae s HIS 53 Ca 0.51 -1.23 -0.06 0.00 -0.15 0.00 0.00 55.06 54.13 3cae s HIS 53 Cb -0.35 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.00 3cae s HIS 53 CO 0.45 -0.80 0.12 0.95 -0.85 0.00 0.00 174.74 174.61 3cae s THR 54 N -3.96 0.06 -0.11 1.30 -4.23 -1.26 -5.14 115.64 102.30 3cae s THR 54 Ca 0.34 -0.49 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 3cae s THR 54 Cb 0.04 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.56 3cae s THR 54 CO 0.13 -0.27 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.34 3cae s TYR 55 N -0.92 1.86 -0.40 3.99 5.04 -1.26 -5.11 117.35 120.55 3cae s TYR 55 Ca -0.10 -0.89 -0.16 0.00 -2.44 0.00 0.00 57.07 53.49 3cae s TYR 55 Cb -0.06 -1.37 0.02 0.00 0.35 0.00 0.00 41.96 40.90 3cae s TYR 55 CO 0.01 -0.48 0.34 0.99 -1.34 0.00 0.00 175.55 175.07 3cae s THR 56 N 1.11 5.20 0.75 4.34 2.01 -1.26 -5.06 115.64 122.73 3cae s THR 56 Ca -0.05 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 3cae s THR 56 Cb -0.14 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.47 3cae s THR 56 CO -0.03 -0.31 1.15 -2.84 -0.69 0.00 0.00 174.62 171.90 3cae s PRO 57 N 1.84 2.13 -0.04 4.92 0.02 -1.26 -4.97 135.00 137.64 3cae s PRO 57 Ca 0.08 1.52 -0.23 0.00 0.02 0.00 0.00 61.00 62.39 3cae s PRO 57 Cb -0.18 -1.86 -0.18 0.00 0.02 0.00 0.00 34.50 32.31 3cae s PRO 57 CO 0.11 -1.79 1.02 -0.44 -0.33 0.00 0.00 177.00 175.57 3cae h ASP 58 N -0.63 -0.14 -3.62 2.53 3.32 -1.85 -3.47 116.42 112.55 3cae h ASP 58 Ca -0.46 -0.41 -0.39 0.00 0.02 0.00 0.00 57.03 55.79 3cae h ASP 58 Cb 1.27 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 40.70 3cae h ASP 58 CO 0.50 0.40 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.33 3cae s PHE 59 N -3.72 1.49 -0.31 4.55 0.40 0.28 -5.00 117.98 115.67 3cae s PHE 59 Ca -0.14 -0.65 -0.02 0.00 -0.60 0.00 0.00 56.93 55.52 3cae s PHE 59 Cb 0.01 -0.72 0.11 0.00 0.51 0.00 0.00 43.02 42.92 3cae s PHE 59 CO 0.55 0.22 0.13 -1.17 0.70 0.00 0.00 175.22 175.65 3cae s LEU 60 N -3.16 1.29 0.86 -0.37 2.96 -1.26 -0.88 118.68 118.11 3cae s LEU 60 Ca 0.19 -1.56 -0.11 0.00 -0.22 0.00 0.00 54.13 52.43 3cae s LEU 60 Cb 0.00 -0.57 0.11 0.00 0.50 0.00 0.00 46.19 46.23 3cae s LEU 60 CO 0.04 -0.41 1.10 -0.76 -1.32 0.00 0.00 176.35 175.00 3cae s LEU 61 N 1.75 2.65 0.60 -0.68 1.43 -0.51 -4.92 118.68 119.01 3cae s LEU 61 Ca 0.11 1.80 0.31 0.00 -1.03 0.00 0.00 54.13 55.31 3cae s LEU 61 Cb -0.17 -4.31 1.81 0.00 0.03 0.00 0.00 46.19 43.55 3cae s LEU 61 CO -0.28 -2.58 2.20 -0.65 0.23 0.00 0.00 176.35 175.28 3cae h PRO 62 N -1.50 0.00 -0.01 1.29 0.11 -1.94 -1.92 132.00 128.03 3cae h PRO 62 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cae h PRO 62 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3cae h PRO 62 CO 0.50 0.00 -0.17 0.27 -0.21 0.00 0.00 178.00 178.39 3cae n ASN 63 N -3.73 0.85 0.00 -2.05 0.23 -1.26 -4.80 115.26 104.49 3cae n ASN 63 Ca -0.01 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.20 3cae n ASN 63 Cb 0.18 0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 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 1.30 1.58 3.63 4.83 0.00 -0.72 -0.81 105.19 114.99 3cae n GLY 64 Ca 0.14 -0.14 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 3cae n GLY 64 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cae n ILE 65 N 0.00 0.31 -3.78 -0.61 5.41 -1.26 -4.69 119.36 114.74 3cae n ILE 65 Ca 0.00 -0.08 -0.36 0.00 1.00 0.00 0.00 62.75 63.32 3cae n ILE 65 Cb 0.00 -1.22 -0.10 0.00 -0.71 0.00 0.00 39.64 37.61 3cae n ILE 65 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3cae s PHE 66 N 0.45 3.29 -0.06 1.39 0.40 0.48 -1.42 117.98 122.50 3cae s PHE 66 Ca 0.78 0.13 0.03 0.00 -0.60 0.00 0.00 56.93 57.27 3cae s PHE 66 Cb -0.78 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 3cae s PHE 66 CO 0.45 0.08 -0.13 0.08 0.70 0.00 0.00 175.22 176.40 3cae s VAL 67 N 0.83 3.18 -0.14 -0.44 1.01 -0.06 0.43 120.40 125.20 3cae s VAL 67 Ca 0.06 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3cae s VAL 67 Cb -0.13 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.01 3cae s VAL 67 CO 0.02 0.58 -0.09 -0.70 0.00 0.00 0.00 175.10 174.92 3cae s GLU 68 N -0.60 1.72 0.47 2.72 2.56 0.05 -0.56 118.70 125.06 3cae s GLU 68 Ca 0.09 -0.46 -0.19 0.00 0.00 0.00 0.00 54.97 54.41 3cae s GLU 68 Cb -0.11 -1.91 -0.09 0.00 2.00 0.00 0.00 34.13 34.02 3cae s GLU 68 CO 0.01 -0.32 0.99 0.95 -0.56 0.00 0.00 175.26 176.33 3cae s THR 69 N 1.61 4.23 -0.24 -1.70 -4.23 -1.26 -1.15 115.64 112.89 3cae s THR 69 Ca 0.03 1.29 -0.18 0.00 -1.18 0.00 0.00 61.69 61.65 3cae s THR 69 Cb -0.14 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.20 3cae s THR 69 CO -0.09 -0.39 0.62 -0.75 -0.54 0.00 0.00 174.62 173.47 3cae s LYS 70 N -3.45 0.67 0.00 3.99 2.47 -0.15 -4.85 119.74 118.41 3cae s LYS 70 Ca 0.63 1.00 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 3cae s LYS 70 Cb -0.12 0.22 0.00 0.00 -1.46 0.00 0.00 37.83 36.47 3cae s LYS 70 CO 0.20 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 176.00 3cae n GLY 71 N 3.57 -0.09 3.74 5.54 0.00 -1.26 -0.88 105.19 115.81 3cae n GLY 71 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 3.07 -0.47 0.99 2.96 -1.26 -4.67 118.68 119.30 3cae s LEU 72 Ca 0.00 2.00 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 3cae s LEU 72 Cb 0.00 -4.55 0.21 0.00 0.50 0.00 0.00 46.19 42.36 3cae s LEU 72 CO 0.00 -2.26 0.86 1.87 -1.32 0.00 0.00 176.35 175.49 3cae n TRP 73 N -3.43 -3.05 -1.63 5.38 -0.00 -1.26 -5.11 117.44 108.33 3cae n TRP 73 Ca 0.10 -1.30 -0.30 0.00 -0.00 0.00 0.00 57.50 56.00 3cae n TRP 73 Cb 0.52 1.42 0.09 0.00 -0.00 0.00 0.00 31.31 33.35 3cae n TRP 73 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3cae s GLU 74 N 0.80 2.08 0.45 5.87 2.02 -1.26 -4.71 118.70 123.94 3cae s GLU 74 Ca 0.29 0.52 0.30 0.00 0.02 0.00 0.00 54.97 56.10 3cae s GLU 74 Cb 0.09 -1.93 1.41 0.00 0.10 0.00 0.00 34.13 33.80 3cae s GLU 74 CO -0.11 -1.60 1.65 1.03 0.02 0.00 0.00 175.26 176.25 3cae h SER 75 N -1.07 0.24 0.03 -0.19 0.87 -1.99 0.81 113.55 112.27 3cae h SER 75 Ca -0.47 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.20 3cae h SER 75 Cb 1.28 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 3cae h SER 75 CO 0.61 -0.13 -0.02 0.44 -0.53 0.00 0.00 176.83 177.20 3cae h ASP 76 N 0.11 -0.04 0.30 6.23 3.32 -2.00 0.07 116.42 124.42 3cae h ASP 76 Ca 0.79 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.49 3cae h ASP 76 Cb 2.50 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 42.05 3cae h ASP 76 CO -0.36 0.22 -0.47 -0.78 -1.72 0.00 0.00 179.24 176.13 3cae h ASP 77 N -0.30 0.22 0.08 6.45 -0.00 -1.27 -2.56 116.42 119.04 3cae h ASP 77 Ca -0.00 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.03 56.92 3cae h ASP 77 Cb 0.27 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.54 3cae h ASP 77 CO 0.01 0.66 -0.04 0.03 -0.00 0.00 0.00 179.24 179.90 3cae h ARG 78 N 0.17 -0.10 -0.17 0.28 3.08 -0.87 -2.12 114.38 114.66 3cae h ARG 78 Ca 0.01 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3cae h ARG 78 Cb 0.89 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 3cae h ARG 78 CO 0.07 0.09 -0.15 0.87 -1.07 0.00 0.00 179.97 179.78 3cae h LYS 79 N -0.28 -0.16 -0.99 0.04 1.57 -0.88 -0.65 116.57 115.22 3cae h LYS 79 Ca -0.01 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 3cae h LYS 79 Cb 0.24 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 32.49 3cae h LYS 79 CO 0.02 -0.10 0.62 -0.22 -0.57 0.00 0.00 179.45 179.19 3cae h LYS 80 N -0.16 0.79 -0.07 3.15 3.64 -1.42 0.21 116.57 122.71 3cae h LYS 80 Ca 0.11 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3cae h LYS 80 Cb 0.32 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3cae h LYS 80 CO -0.26 0.53 0.01 1.25 -2.27 0.00 0.00 179.45 178.71 3cae h HIS 81 N 0.82 0.13 -0.75 1.91 2.76 -0.45 -0.83 115.15 118.74 3cae h HIS 81 Ca 0.54 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.68 3cae h HIS 81 Cb 0.78 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 3cae h HIS 81 CO -0.00 0.33 0.40 -0.07 -1.30 0.00 0.00 177.93 177.28 3cae h LEU 82 N -0.11 0.93 0.66 0.26 3.38 -0.33 -0.90 115.31 119.21 3cae h LEU 82 Ca 0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3cae h LEU 82 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3cae h LEU 82 CO 0.00 0.76 -0.42 0.25 0.09 0.00 0.00 178.44 179.12 3cae h LEU 83 N 1.04 -1.06 -1.39 1.67 6.46 -0.39 -0.52 115.31 121.12 3cae h LEU 83 Ca 0.26 0.06 0.20 0.00 -0.12 0.00 0.00 57.88 58.28 3cae h LEU 83 Cb 0.04 0.31 -0.07 0.00 -0.73 0.00 0.00 40.66 40.21 3cae h LEU 83 CO -0.04 -0.64 0.60 0.40 -0.62 0.00 0.00 178.44 178.14 3cae h ILE 84 N -1.02 0.70 -0.20 4.05 2.04 -0.89 0.85 117.51 123.03 3cae h ILE 84 Ca -0.08 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3cae h ILE 84 Cb 0.83 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3cae h ILE 84 CO 0.08 0.09 0.10 -0.09 0.00 0.00 0.00 178.15 178.33 3cae h ARG 85 N 0.50 0.29 0.62 2.37 2.43 -0.31 -0.11 114.38 120.17 3cae h ARG 85 Ca 0.49 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 3cae h ARG 85 Cb 1.08 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3cae h ARG 85 CO -0.22 0.31 -0.30 0.93 -1.51 0.00 0.00 179.97 179.18 3cae h GLU 86 N 0.20 -0.80 0.00 0.20 5.08 0.72 -2.79 114.58 117.18 3cae h GLU 86 Ca 0.07 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3cae h GLU 86 Cb 0.11 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3cae h GLU 86 CO -0.01 -0.53 -0.14 1.96 -1.00 0.00 0.00 179.01 179.29 3cae h GLN 87 N -0.85 0.00 -2.11 2.33 4.20 -1.32 -3.32 115.11 114.03 3cae h GLN 87 Ca -0.09 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.05 3cae h GLN 87 Cb 0.65 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.02 3cae h GLN 87 CO 0.14 0.14 -0.83 0.72 -0.67 0.00 0.00 178.83 178.34 3cae n HIS 88 N -3.91 1.93 0.23 2.96 8.25 -0.06 -4.91 115.22 119.72 3cae n HIS 88 Ca -0.02 -3.90 0.08 0.00 -0.26 0.00 0.00 57.72 53.63 3cae n HIS 88 Cb 0.24 -0.47 0.56 0.00 1.12 0.00 0.00 29.99 31.44 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 3.97 0.00 0.00 -0.41 0.13 -1.61 -2.59 132.00 131.50 3cae h PRO 89 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3cae h PRO 89 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3cae h PRO 89 CO 0.67 0.21 0.00 -0.85 -0.23 0.00 0.00 178.00 177.80 3cae n GLU 90 N -3.86 0.37 -4.17 0.86 0.00 -1.26 -4.75 120.64 107.84 3cae n GLU 90 Ca -0.02 0.07 -0.34 0.00 0.00 0.00 0.00 57.16 56.87 3cae n GLU 90 Cb 0.30 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.13 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 -2.27 3.50 -0.55 -1.84 1.43 -0.98 -4.91 118.68 113.07 3cae s LEU 91 Ca 0.20 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 3cae s LEU 91 Cb 0.11 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.51 3cae s LEU 91 CO 0.21 0.15 0.80 -0.62 0.23 0.00 0.00 176.35 177.12 3cae s ASP 92 N 0.49 6.26 -0.22 2.29 -1.08 -1.26 -5.01 116.67 118.13 3cae s ASP 92 Ca -0.00 -0.75 0.01 0.00 -0.52 0.00 0.00 52.55 51.29 3cae s ASP 92 Cb -0.13 -2.37 0.05 0.00 -1.46 0.00 0.00 42.92 39.01 3cae s ASP 92 CO 0.02 -1.12 -0.08 -0.63 0.52 0.00 0.00 175.17 173.88 3cae s ILE 93 N 3.36 1.63 0.40 4.11 1.01 -1.26 -0.39 121.20 130.06 3cae s ILE 93 Ca 0.22 -1.17 0.08 0.00 0.00 0.00 0.00 60.65 59.77 3cae s ILE 93 Cb -0.17 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3cae s ILE 93 CO 0.14 0.01 0.33 -0.13 0.00 0.00 0.00 174.94 175.29 3cae s ARG 94 N 1.37 2.52 -0.02 2.79 0.52 0.17 -4.58 118.95 121.72 3cae s ARG 94 Ca -0.04 -1.53 0.06 0.00 -0.52 0.00 0.00 55.73 53.69 3cae s ARG 94 Cb -0.18 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.94 3cae s ARG 94 CO -0.07 -0.13 -0.19 0.42 0.02 0.00 0.00 175.30 175.35 3cae s ILE 95 N -2.46 1.55 -0.37 1.52 1.01 -0.72 -0.77 121.20 120.95 3cae s ILE 95 Ca 0.46 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3cae s ILE 95 Cb -0.03 -1.29 0.10 0.00 0.01 0.00 0.00 42.46 41.25 3cae s ILE 95 CO 0.27 0.44 0.13 -0.69 0.00 0.00 0.00 174.94 175.09 3cae s VAL 96 N -0.37 3.02 0.43 2.92 1.01 -0.30 -0.79 120.40 126.32 3cae s VAL 96 Ca 0.05 -1.98 -0.12 0.00 0.00 0.00 0.00 61.98 59.93 3cae s VAL 96 Cb -0.08 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 3cae s VAL 96 CO -0.00 -0.56 0.82 -0.36 0.00 0.00 0.00 175.10 175.01 3cae s PHE 97 N 1.11 3.46 0.28 5.22 0.40 -0.38 -0.98 117.98 127.09 3cae s PHE 97 Ca 0.06 1.17 0.03 0.00 -0.60 0.00 0.00 56.93 57.59 3cae s PHE 97 Cb -0.21 -2.54 0.40 0.00 0.51 0.00 0.00 43.02 41.17 3cae s PHE 97 CO -0.04 -0.16 1.70 0.77 0.70 0.00 0.00 175.22 178.19 3cae h SER 98 N 1.23 0.45 -0.98 1.36 0.02 -1.28 0.19 113.55 114.56 3cae h SER 98 Ca -0.47 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.35 3cae h SER 98 Cb 1.19 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 63.39 3cae h SER 98 CO 0.63 0.74 -0.37 -0.55 -1.14 0.00 0.00 176.83 176.14 3cae s SER 99 N -6.83 -1.60 0.44 3.07 0.15 -1.26 -4.06 113.70 103.61 3cae s SER 99 Ca -0.06 0.18 0.30 0.00 0.70 0.00 0.00 55.95 57.06 3cae s SER 99 Cb 0.14 2.01 1.59 0.00 -1.71 0.00 0.00 66.02 68.05 3cae s SER 99 CO 0.79 -0.29 1.91 0.77 1.20 0.00 0.00 173.24 177.61 3cae h SER 100 N 7.97 0.00 0.61 5.45 4.64 -1.84 0.43 113.55 130.80 3cae h SER 100 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3cae h SER 100 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3cae h SER 100 CO 0.14 0.00 -0.05 0.03 -0.87 0.00 0.00 176.83 176.09 3cae h ARG 101 N 0.00 0.00 -6.40 4.77 3.08 -1.96 -2.04 114.38 111.83 3cae h ARG 101 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3cae h ARG 101 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.09 3cae h ARG 101 CO 0.00 0.05 1.09 0.99 -1.07 0.00 0.00 179.97 181.02 3cae s THR 102 N -3.91 3.07 0.76 2.04 2.01 0.14 -4.76 115.64 114.99 3cae s THR 102 Ca -0.01 0.36 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 3cae s THR 102 Cb 0.11 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.44 3cae s THR 102 CO 0.53 -0.01 1.21 -0.54 -0.69 0.00 0.00 174.62 175.11 3cae s LYS 103 N 3.36 1.97 0.30 4.92 -0.14 -1.26 -1.03 119.74 127.87 3cae s LYS 103 Ca 0.78 1.75 0.07 0.00 -1.36 0.00 0.00 55.97 57.21 3cae s LYS 103 Cb -0.40 -1.81 0.79 0.00 -1.68 0.00 0.00 37.83 34.73 3cae s LYS 103 CO 0.34 -1.96 1.73 -0.07 -0.76 0.00 0.00 175.35 174.63 3cae h LEU 104 N -0.51 0.60 -7.00 3.17 3.38 -1.34 -3.43 115.31 110.18 3cae h LEU 104 Ca -0.47 0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.68 3cae h LEU 104 Cb 1.30 0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.90 3cae h LEU 104 CO 0.49 0.11 0.41 -0.72 0.09 0.00 0.00 178.44 178.82 3cae s TYR 105 N -5.83 -0.45 -0.06 1.13 -0.85 -1.26 -4.77 117.35 105.27 3cae s TYR 105 Ca -0.11 0.59 -0.37 0.00 -0.52 0.00 0.00 57.07 56.66 3cae s TYR 105 Cb 0.26 0.48 -0.15 0.00 0.38 0.00 0.00 41.96 42.92 3cae s TYR 105 CO 0.79 -0.51 1.60 1.63 -1.52 0.00 0.00 175.55 177.53 3cae n LYS 106 N 0.37 1.44 0.00 -3.49 4.76 -1.26 -1.18 118.16 118.80 3cae n LYS 106 Ca -0.12 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 3cae n LYS 106 Cb 0.60 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 3cae n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cae n GLY 107 N 3.51 2.78 3.74 0.72 0.00 -1.26 -5.06 105.19 109.63 3cae n GLY 107 Ca 0.22 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3cae n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cae n SER 108 N 0.37 3.32 -0.05 1.61 2.88 -0.33 -4.86 113.62 116.56 3cae n SER 108 Ca 0.00 1.20 0.14 0.00 -1.33 0.00 0.00 58.87 58.88 3cae n SER 108 Cb 0.00 -1.57 0.68 0.00 -0.75 0.00 0.00 64.21 62.57 3cae n SER 108 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3cae n PRO 109 N 0.36 0.52 -3.89 -1.46 -0.04 -1.26 -4.83 135.00 124.40 3cae n PRO 109 Ca 0.03 -0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 3cae n PRO 109 Cb 0.38 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 3cae n PRO 109 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3cae s THR 110 N -2.55 5.30 0.34 0.52 2.01 -1.26 -5.05 115.64 114.95 3cae s THR 110 Ca 0.28 -0.62 0.04 0.00 0.31 0.00 0.00 61.69 61.71 3cae s THR 110 Cb 0.20 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 3cae s THR 110 CO 0.48 -0.11 0.05 -0.94 -0.69 0.00 0.00 174.62 173.41 3cae s SER 111 N -3.21 2.62 0.25 3.53 1.04 -1.26 -1.07 113.70 115.60 3cae s SER 111 Ca 0.35 -1.38 -0.03 0.00 0.48 0.00 0.00 55.95 55.37 3cae s SER 111 Cb -0.11 -0.13 0.42 0.00 0.10 0.00 0.00 66.02 66.29 3cae s SER 111 CO 0.29 -0.58 1.82 1.88 0.98 0.00 0.00 173.24 177.62 3cae h TYR 112 N 2.06 0.93 0.67 5.02 0.99 -0.82 0.00 116.97 125.81 3cae h TYR 112 Ca -0.41 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.31 3cae h TYR 112 Cb 1.24 -0.29 0.01 0.00 1.00 0.00 0.00 36.73 38.69 3cae h TYR 112 CO 0.60 0.39 -0.32 0.78 -0.00 0.00 0.00 178.16 179.61 3cae h GLY 113 N 0.85 -0.93 0.80 3.88 0.00 -1.65 -0.96 103.07 105.07 3cae h GLY 113 Ca 0.41 0.35 0.04 0.00 0.00 0.00 0.00 47.33 48.13 3cae h GLY 113 CO -0.24 -0.34 0.40 0.83 0.00 0.00 0.00 176.54 177.19 3cae h GLU 114 N -0.95 0.75 0.04 4.80 5.08 -1.78 0.26 114.58 122.78 3cae h GLU 114 Ca -0.09 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3cae h GLU 114 Cb 0.70 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3cae h GLU 114 CO 0.15 0.50 -0.38 0.35 -1.00 0.00 0.00 179.01 178.63 3cae h PHE 115 N 0.77 -1.06 -1.00 4.33 3.57 -0.89 0.13 116.94 122.79 3cae h PHE 115 Ca 0.28 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.88 3cae h PHE 115 Cb 0.08 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 39.22 3cae h PHE 115 CO -0.06 -0.47 0.64 0.00 -2.23 0.00 0.00 178.31 176.20 3cae h GLU 117 N 1.16 0.28 -0.46 0.00 5.08 0.48 -0.34 114.58 120.77 3cae h GLU 117 Ca 0.43 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 3cae h GLU 117 Cb 0.19 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3cae h GLU 117 CO -0.17 0.18 0.11 -0.22 -1.00 0.00 0.00 179.01 177.91 3cae h LYS 118 N 0.28 0.70 -0.28 2.33 3.64 0.12 -2.95 116.57 120.41 3cae h LYS 118 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3cae h LYS 118 Cb 0.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3cae h LYS 118 CO -0.06 0.64 0.00 0.72 -2.27 0.00 0.00 179.45 178.47 3cae n HIS 119 N -4.30 0.37 -0.51 1.91 8.25 -0.50 -4.93 115.22 115.52 3cae n HIS 119 Ca 0.03 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3cae n HIS 119 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.21 1.91 3.66 -1.41 0.00 -0.35 -4.99 105.19 105.22 3cae n GLY 120 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.48 3.57 -0.32 -0.61 1.01 -0.28 -4.95 121.20 116.14 3cae s ILE 121 Ca 0.00 0.73 -0.28 0.00 0.00 0.00 0.00 60.65 61.11 3cae s ILE 121 Cb 0.00 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 39.01 3cae s ILE 121 CO 0.00 -0.06 1.00 -0.54 0.00 0.00 0.00 174.94 175.35 3cae s LYS 122 N 3.82 4.02 0.38 2.79 1.02 -1.26 -4.25 119.74 126.26 3cae s LYS 122 Ca 0.72 0.93 0.07 0.00 0.02 0.00 0.00 55.97 57.71 3cae s LYS 122 Cb -0.33 -3.74 -0.07 0.00 -0.52 0.00 0.00 37.83 33.16 3cae s LYS 122 CO 0.29 -0.86 -0.02 -0.59 -0.92 0.00 0.00 175.35 173.26 3cae s PHE 123 N 3.49 2.41 0.29 3.18 -0.12 -1.26 -1.76 117.98 124.21 3cae s PHE 123 Ca 0.42 -0.66 -0.12 0.00 -0.05 0.00 0.00 56.93 56.52 3cae s PHE 123 Cb -0.13 -1.60 0.01 0.00 -0.63 0.00 0.00 43.02 40.68 3cae s PHE 123 CO 0.15 0.43 0.54 0.00 -0.05 0.00 0.00 175.22 176.29 3cae s ALA 124 N -2.76 -0.20 -0.05 1.99 0.00 0.03 -4.93 121.76 115.85 3cae s ALA 124 Ca 0.34 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.40 3cae s ALA 124 Cb 0.08 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 24.19 3cae s ALA 124 CO 0.17 -0.88 -0.15 -0.51 0.00 0.00 0.00 175.76 174.40 3cae s ASP 125 N -3.06 3.98 0.00 0.00 1.01 -1.26 -1.25 116.67 116.09 3cae s ASP 125 Ca 0.22 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.27 3cae s ASP 125 Cb -0.02 -0.85 0.00 0.00 1.01 0.00 0.00 42.92 43.07 3cae s ASP 125 CO 0.11 0.34 0.00 0.29 0.21 0.00 0.00 175.17 176.12 3cae n LYS 126 N 2.35 0.00 -4.11 8.23 5.02 0.68 -4.74 118.16 125.59 3cae n LYS 126 Ca -0.17 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.04 3cae n LYS 126 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.43 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 2.11 -0.50 -0.35 2.01 -1.26 -4.95 118.68 115.74 3cae s LEU 127 Ca 0.00 -1.10 -0.28 0.00 0.01 0.00 0.00 54.13 52.77 3cae s LEU 127 Cb 0.00 0.27 -0.00 0.00 0.01 0.00 0.00 46.19 46.47 3cae s LEU 127 CO 0.00 -0.67 1.60 -0.63 1.01 0.00 0.00 176.35 177.66 3cae s ILE 128 N -3.98 3.64 0.19 -0.59 1.01 -1.26 -4.94 121.20 115.26 3cae s ILE 128 Ca 0.15 0.56 -0.26 0.00 0.00 0.00 0.00 60.65 61.09 3cae s ILE 128 Cb 0.08 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 38.27 3cae s ILE 128 CO -0.04 -0.89 0.48 -2.65 0.00 0.00 0.00 174.94 171.84 3cae n PRO 129 N 8.65 0.00 0.22 2.79 -0.02 -1.26 -4.84 135.00 140.54 3cae n PRO 129 Ca 0.17 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.73 3cae n PRO 129 Cb 0.49 -0.95 0.53 0.00 -0.02 0.00 0.00 33.50 33.55 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 0.94 1.31 0.13 3.55 0.00 -1.99 -2.90 119.26 120.28 3cae h ALA 130 Ca -0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3cae h ALA 130 Cb 1.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3cae h ALA 130 CO 0.54 0.30 -0.06 0.93 0.00 0.00 0.00 179.25 180.95 3cae h GLU 131 N 0.00 -0.17 0.20 0.00 4.39 -2.00 -2.13 114.58 114.88 3cae h GLU 131 Ca -0.00 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.72 3cae h GLU 131 Cb 0.52 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 3cae h GLU 131 CO 0.03 0.04 -0.45 -1.49 -1.16 0.00 0.00 179.01 175.98 3cae h TRP 132 N -0.35 -1.28 -0.89 4.33 4.06 -1.87 -0.88 115.95 119.07 3cae h TRP 132 Ca -0.02 0.03 0.26 0.00 2.06 0.00 0.00 58.89 61.22 3cae h TRP 132 Cb 0.29 0.53 -0.04 0.00 -1.00 0.00 0.00 29.16 28.94 3cae h TRP 132 CO -0.01 -0.56 0.70 0.82 -3.56 0.00 0.00 178.44 175.82 3cae h ILE 133 N -0.74 0.45 0.01 1.49 2.04 -1.46 -0.11 117.51 119.18 3cae h ILE 133 Ca -0.00 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.60 3cae h ILE 133 Cb 0.73 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3cae h ILE 133 CO -0.21 0.00 -1.41 0.11 0.00 0.00 0.00 178.15 176.64 3cae h LYS 134 N 0.00 0.01 -5.95 2.37 1.57 -0.50 -3.47 116.57 110.60 3cae h LYS 134 Ca 0.42 -0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 58.52 3cae h LYS 134 Cb 1.81 0.01 0.11 0.00 0.08 0.00 0.00 32.23 34.24 3cae h LYS 134 CO -0.00 0.73 -0.51 0.39 -0.57 0.00 0.00 179.45 179.49 3cae n GLU 135 N -3.19 0.00 -1.72 3.15 1.02 -0.06 -4.78 120.64 115.06 3cae n GLU 135 Ca -0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 3cae n GLU 135 Cb 1.01 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3cae n GLU 135 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3cae s PRO 136 N -0.96 4.14 0.60 3.49 0.04 -1.26 -4.81 135.00 136.24 3cae s PRO 136 Ca 0.64 2.59 -0.18 0.00 0.04 0.00 0.00 61.00 64.09 3cae s PRO 136 Cb -0.93 -3.72 -0.08 0.00 0.04 0.00 0.00 34.50 29.80 3cae s PRO 136 CO 0.56 -0.86 0.47 1.17 0.04 0.00 0.00 177.00 178.37 3cae n LYS 137 N 6.09 0.44 -3.85 4.56 4.81 -1.26 -4.98 118.16 123.97 3cae n LYS 137 Ca 0.18 0.18 -0.12 0.00 -0.87 0.00 0.00 58.31 57.68 3cae n LYS 137 Cb 0.39 -1.67 -0.12 0.00 0.02 0.00 0.00 35.03 33.65 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 -2.14 0.28 0.67 1.64 -2.85 0.01 -5.02 119.74 112.33 3cae s LYS 138 Ca 0.67 -0.05 -0.17 0.00 -1.00 0.00 0.00 55.97 55.42 3cae s LYS 138 Cb -0.43 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.46 3cae s LYS 138 CO 0.56 -0.05 1.23 0.39 0.10 0.00 0.00 175.35 177.58 3cae n GLU 139 N 2.40 0.92 -5.15 1.78 -0.58 -1.26 -4.33 120.64 114.43 3cae n GLU 139 Ca -0.17 0.37 -0.32 0.00 -0.42 0.00 0.00 57.16 56.63 3cae n GLU 139 Cb 0.58 -2.47 -0.16 0.00 -0.57 0.00 0.00 31.44 28.82 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 -1.53 2.30 -1.48 2.62 1.01 -1.26 -5.02 120.40 117.04 3cae s VAL 140 Ca 0.80 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 3cae s VAL 140 Cb -0.37 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3cae s VAL 140 CO 0.43 0.56 2.46 -0.81 0.00 0.00 0.00 175.10 177.74 3cae n PRO 141 N 3.13 3.43 0.30 2.72 -0.04 -1.26 -4.75 135.00 138.52 3cae n PRO 141 Ca -0.18 -2.67 0.16 0.00 -0.04 0.00 0.00 63.50 60.77 3cae n PRO 141 Cb 0.52 -3.00 0.79 0.00 -0.04 0.00 0.00 33.50 31.77 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 5.47 0.00 0.72 0.54 -1.00 -1.96 0.13 116.94 120.84 3cae h PHE 142 Ca 0.67 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.42 3cae h PHE 142 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3cae h PHE 142 CO 1.60 0.00 -0.46 -0.44 -1.61 0.00 0.00 178.31 177.40 3cae h ASP 143 N 0.00 -1.16 -0.49 2.17 3.32 -2.04 -1.84 116.42 116.38 3cae h ASP 143 Ca 0.03 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.29 3cae h ASP 143 Cb 0.77 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3cae h ASP 143 CO -0.00 -0.70 0.46 0.03 -1.72 0.00 0.00 179.24 177.31 3cae h ARG 144 N -1.11 0.00 -5.97 3.56 2.47 -1.15 -3.42 114.38 108.75 3cae h ARG 144 Ca -0.09 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.01 3cae h ARG 144 Cb 0.90 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.18 3cae h ARG 144 CO 0.09 0.00 -0.41 -0.51 0.56 0.00 0.00 179.97 179.70 3cae s LEU 145 N -7.79 4.34 -0.11 3.04 1.43 -0.69 -5.10 118.68 113.80 3cae s LEU 145 Ca -0.04 0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3cae s LEU 145 Cb 0.17 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 3cae s LEU 145 CO 0.61 0.17 0.08 -0.54 0.23 0.00 0.00 176.35 176.90 3cae s LYS 146 N -2.27 3.26 0.43 1.70 1.02 -1.26 -4.89 119.74 117.74 3cae s LYS 146 Ca 0.34 -0.25 -0.09 0.00 0.02 0.00 0.00 55.97 55.99 3cae s LYS 146 Cb -0.13 -3.03 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 3cae s LYS 146 CO 0.23 0.74 0.78 -0.98 -0.92 0.00 0.00 175.35 175.20 3cae s ARG 147 N -0.94 3.72 0.00 1.68 1.70 -1.26 -5.14 118.95 118.71 3cae s ARG 147 Ca 0.14 0.42 0.13 0.00 -0.47 0.00 0.00 55.73 55.95 3cae s ARG 147 Cb -0.12 -2.37 0.77 0.00 -0.57 0.00 0.00 34.95 32.66 3cae s ARG 147 CO 0.03 -0.10 1.20 0.36 -1.08 0.00 0.00 175.30 175.71