#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 0.39 0.79 3.03 0.00 -2.05 0.12 103.07 105.35 3cae h GLY 18 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3cae h GLY 18 CO 0.00 0.27 -0.23 -2.00 0.00 0.00 0.00 176.54 174.58 3cae h LEU 19 N 0.32 0.48 -0.01 3.11 5.85 -2.05 -1.44 115.31 121.56 3cae h LEU 19 Ca 0.05 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.27 3cae h LEU 19 Cb 0.59 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 3cae h LEU 19 CO 0.04 0.90 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.86 3cae h GLU 20 N 0.07 -0.16 0.18 1.25 4.81 -1.89 -0.27 114.58 118.57 3cae h GLU 20 Ca 0.02 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3cae h GLU 20 Cb 0.79 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 3cae h GLU 20 CO 0.05 -0.11 -0.37 0.22 -0.73 0.00 0.00 179.01 178.08 3cae h ASP 21 N -0.17 -1.05 -0.35 1.04 -0.00 -0.76 -2.14 116.42 112.99 3cae h ASP 21 Ca 0.04 0.11 0.07 0.00 -0.00 0.00 0.00 57.03 57.26 3cae h ASP 21 Cb 0.22 0.39 -0.07 0.00 -0.00 0.00 0.00 39.33 39.87 3cae h ASP 21 CO -0.11 -0.46 -0.08 0.11 -0.00 0.00 0.00 179.24 178.69 3cae h LYS 22 N -0.63 0.01 -0.75 0.28 1.57 -1.06 -0.59 116.57 115.39 3cae h LYS 22 Ca 0.01 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 3cae h LYS 22 Cb 0.64 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 3cae h LYS 22 CO -0.18 0.00 0.40 0.28 -0.57 0.00 0.00 179.45 179.39 3cae h VAL 23 N 0.01 0.87 -0.31 0.50 2.07 -0.74 -1.25 116.25 117.40 3cae h VAL 23 Ca 0.17 -0.23 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 3cae h VAL 23 Cb 0.26 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3cae h VAL 23 CO -0.36 0.12 -0.46 0.77 0.02 0.00 0.00 177.57 177.66 3cae h SER 24 N 0.68 0.95 -0.05 0.57 4.64 -0.98 -2.18 113.55 117.18 3cae h SER 24 Ca 0.37 -0.51 0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3cae h SER 24 Cb 0.36 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 3cae h SER 24 CO -0.26 1.27 -0.27 0.11 -0.87 0.00 0.00 176.83 176.82 3cae h LYS 25 N 0.65 -0.37 -0.66 4.77 1.57 -0.31 0.72 116.57 122.94 3cae h LYS 25 Ca 0.03 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3cae h LYS 25 Cb 1.07 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 3cae h LYS 25 CO 0.11 -0.25 0.44 0.37 -0.57 0.00 0.00 179.45 179.55 3cae h GLN 26 N -0.38 0.68 -0.63 3.15 4.15 -1.26 0.74 115.11 121.56 3cae h GLN 26 Ca 0.08 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3cae h GLN 26 Cb 0.49 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3cae h GLN 26 CO -0.27 0.45 0.14 -0.07 -1.93 0.00 0.00 178.83 177.16 3cae h LEU 27 N 0.70 0.96 0.13 -2.39 3.38 -0.19 -2.73 115.31 115.19 3cae h LEU 27 Ca 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3cae h LEU 27 Cb 0.21 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3cae h LEU 27 CO -0.08 0.96 -0.06 -0.33 0.09 0.00 0.00 178.44 179.01 3cae h GLU 28 N 0.93 -0.17 -0.99 1.13 5.08 0.24 -0.36 114.58 120.44 3cae h GLU 28 Ca 0.20 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.70 3cae h GLU 28 Cb 0.37 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 3cae h GLU 28 CO 0.00 0.12 0.61 0.66 -1.00 0.00 0.00 179.01 179.41 3cae h SER 29 N -0.46 0.87 0.89 1.42 4.64 -0.95 0.85 113.55 120.80 3cae h SER 29 Ca -0.02 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3cae h SER 29 Cb 0.37 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3cae h SER 29 CO 0.03 0.42 0.00 0.29 -0.87 0.00 0.00 176.83 176.70 3cae n LYS 30 N -4.67 0.04 -2.82 4.77 5.02 -1.03 -4.91 118.16 114.56 3cae n LYS 30 Ca 0.20 0.12 -0.08 0.00 -2.02 0.00 0.00 58.31 56.54 3cae n LYS 30 Cb 0.41 -1.56 0.03 0.00 -0.02 0.00 0.00 35.03 33.88 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 0.94 0.44 3.66 0.72 0.00 0.29 -5.02 105.19 106.23 3cae n GLY 31 Ca 0.06 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.10 4.97 -1.05 -0.61 -1.09 -0.20 -4.98 121.20 115.14 3cae s ILE 32 Ca 0.17 1.32 -0.21 0.00 -2.23 0.00 0.00 60.65 59.70 3cae s ILE 32 Cb -0.08 -4.00 0.07 0.00 -1.58 0.00 0.00 42.46 36.87 3cae s ILE 32 CO 0.24 0.07 1.44 -0.75 -1.23 0.00 0.00 174.94 174.71 3cae s LYS 33 N 2.07 3.66 0.44 2.79 2.20 -1.26 -4.67 119.74 124.98 3cae s LYS 33 Ca 0.31 -1.39 0.08 0.00 -0.36 0.00 0.00 55.97 54.62 3cae s LYS 33 Cb -0.16 -5.31 0.02 0.00 -1.51 0.00 0.00 37.83 30.87 3cae s LYS 33 CO 0.11 -2.14 0.56 -0.59 -0.36 0.00 0.00 175.35 172.93 3cae s PHE 34 N 4.41 2.56 -0.19 4.03 -0.12 -1.26 -5.11 117.98 122.31 3cae s PHE 34 Ca 0.45 -0.48 -0.00 0.00 -0.05 0.00 0.00 56.93 56.85 3cae s PHE 34 Cb -0.00 -2.30 0.01 0.00 -0.63 0.00 0.00 43.02 40.10 3cae s PHE 34 CO -0.07 -0.46 -0.17 -1.21 -0.05 0.00 0.00 175.22 173.26 3cae s GLU 35 N -4.35 3.08 -0.18 1.99 2.02 -1.26 -5.10 118.70 114.90 3cae s GLU 35 Ca 0.54 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.57 3cae s GLU 35 Cb -0.08 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 3cae s GLU 35 CO 0.32 -0.19 0.45 -0.47 0.02 0.00 0.00 175.26 175.39 3cae s TYR 36 N 1.30 3.41 -0.85 1.61 5.04 -1.26 -4.48 117.35 122.12 3cae s TYR 36 Ca 0.04 0.73 -0.03 0.00 -2.44 0.00 0.00 57.07 55.38 3cae s TYR 36 Cb -0.13 -2.57 0.03 0.00 0.35 0.00 0.00 41.96 39.63 3cae s TYR 36 CO -0.10 0.01 0.06 0.39 -1.34 0.00 0.00 175.55 174.58 3cae n GLU 37 N 4.35 -0.94 0.01 4.97 1.02 -1.26 -4.79 120.64 123.99 3cae n GLU 37 Ca -0.07 0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 3cae n GLU 37 Cb 0.51 -2.01 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 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 -2.79 0.21 -4.19 3.49 4.07 -1.26 -4.94 120.64 115.23 3cae n GLU 38 Ca -0.13 -0.02 -0.16 0.00 -0.06 0.00 0.00 57.16 56.78 3cae n GLU 38 Cb 0.34 -1.55 -0.15 0.00 -0.06 0.00 0.00 31.44 30.03 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 -3.15 0.53 -0.06 4.31 0.52 -1.26 -5.14 118.94 114.69 3cae s TRP 39 Ca 0.04 -0.10 -0.02 0.00 0.02 0.00 0.00 56.10 56.05 3cae s TRP 39 Cb 0.15 -0.35 -0.04 0.00 -1.15 0.00 0.00 33.47 32.08 3cae s TRP 39 CO 0.82 -0.02 0.03 0.15 0.02 0.00 0.00 176.95 177.96 3cae s LYS 40 N -0.08 3.01 -0.36 4.98 1.02 -1.26 -5.09 119.74 121.96 3cae s LYS 40 Ca 0.02 -0.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 3cae s LYS 40 Cb -0.03 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3cae s LYS 40 CO -0.00 0.69 0.22 0.08 -0.92 0.00 0.00 175.35 175.42 3cae s VAL 41 N -0.98 4.85 -0.10 3.17 1.01 -1.26 -5.05 120.40 122.04 3cae s VAL 41 Ca 0.16 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3cae s VAL 41 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3cae s VAL 41 CO 0.06 -0.15 1.31 -2.84 0.00 0.00 0.00 175.10 173.48 3cae s PRO 42 N 1.62 4.26 0.18 2.72 0.02 -1.26 -5.00 135.00 137.55 3cae s PRO 42 Ca 0.04 1.77 -0.00 0.00 0.02 0.00 0.00 61.00 62.83 3cae s PRO 42 Cb -0.18 -3.71 -0.04 0.00 0.02 0.00 0.00 34.50 30.59 3cae s PRO 42 CO 0.08 -0.64 0.08 1.52 -0.33 0.00 0.00 177.00 177.71 3cae s TYR 43 N 3.06 1.12 -0.17 6.54 -0.85 -1.26 -5.14 117.35 120.66 3cae s TYR 43 Ca 0.59 -1.23 -0.01 0.00 -0.52 0.00 0.00 57.07 55.90 3cae s TYR 43 Cb -0.25 -0.61 0.04 0.00 0.38 0.00 0.00 41.96 41.52 3cae s TYR 43 CO 0.20 -0.47 -0.04 -1.54 -1.52 0.00 0.00 175.55 172.18 3cae s SER 44 N -3.15 2.84 0.13 -0.18 1.04 -1.26 -5.11 113.70 108.01 3cae s SER 44 Ca 0.31 -0.68 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 3cae s SER 44 Cb 0.07 -0.87 -0.07 0.00 0.10 0.00 0.00 66.02 65.25 3cae s SER 44 CO 0.07 -0.20 0.53 0.21 0.98 0.00 0.00 173.24 174.83 3cae s ASN 45 N 1.66 6.81 -0.11 7.02 3.84 -1.26 -5.07 114.94 127.83 3cae s ASN 45 Ca 0.00 1.04 -0.00 0.00 0.21 0.00 0.00 52.86 54.11 3cae s ASN 45 Cb -0.15 -2.27 -0.02 0.00 -0.55 0.00 0.00 41.25 38.25 3cae s ASN 45 CO -0.07 0.12 -0.10 0.54 -2.79 0.00 0.00 177.10 174.80 3cae s ASN 46 N -1.69 4.28 0.56 -4.21 4.22 -1.26 -5.11 114.94 111.73 3cae s ASN 46 Ca 0.36 -0.22 -0.00 0.00 -2.14 0.00 0.00 52.86 50.86 3cae s ASN 46 Cb -0.15 -1.46 0.03 0.00 1.28 0.00 0.00 41.25 40.95 3cae s ASN 46 CO 0.19 0.22 0.80 -1.10 -2.04 0.00 0.00 177.10 175.18 3cae s GLN 47 N 0.01 2.57 -0.07 3.55 1.11 -1.26 -5.10 119.66 120.47 3cae s GLN 47 Ca -0.02 -0.63 0.05 0.00 0.01 0.00 0.00 55.36 54.77 3cae s GLN 47 Cb -0.14 -2.44 -0.00 0.00 -1.01 0.00 0.00 33.01 29.42 3cae s GLN 47 CO 0.04 -0.74 -0.22 -1.14 0.01 0.00 0.00 175.29 173.23 3cae s GLN 48 N -4.82 2.49 0.19 2.91 0.74 -1.26 -5.13 119.66 114.78 3cae s GLN 48 Ca 0.56 -0.81 0.11 0.00 0.05 0.00 0.00 55.36 55.28 3cae s GLN 48 Cb -0.10 -2.03 -0.04 0.00 1.10 0.00 0.00 33.01 31.93 3cae s GLN 48 CO 0.40 0.28 -0.23 -0.80 -0.55 0.00 0.00 175.29 174.38 3cae s ASN 49 N 0.06 3.48 0.03 6.67 0.02 -1.26 -5.14 114.94 118.80 3cae s ASN 49 Ca -0.09 -0.86 0.06 0.00 -1.02 0.00 0.00 52.86 50.96 3cae s ASN 49 Cb -0.15 -0.28 -0.02 0.00 0.02 0.00 0.00 41.25 40.82 3cae s ASN 49 CO 0.05 0.12 -0.18 -0.31 0.02 0.00 0.00 177.10 176.79 3cae s TYR 50 N -1.69 1.60 -0.14 2.20 1.51 -1.26 -5.12 117.35 114.45 3cae s TYR 50 Ca 0.21 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 3cae s TYR 50 Cb -0.08 -0.97 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 3cae s TYR 50 CO 0.10 0.05 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.43 3cae s SER 51 N -1.02 4.72 -0.82 2.29 0.01 -1.26 -5.03 113.70 112.59 3cae s SER 51 Ca 0.06 -0.12 -0.26 0.00 1.31 0.00 0.00 55.95 56.94 3cae s SER 51 Cb -0.08 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.51 3cae s SER 51 CO 0.01 0.21 1.40 -0.94 0.41 0.00 0.00 173.24 174.33 3cae s SER 52 N 0.13 6.14 0.39 2.44 1.04 -1.26 -4.95 113.70 117.64 3cae s SER 52 Ca -0.02 -0.68 0.08 0.00 0.48 0.00 0.00 55.95 55.81 3cae s SER 52 Cb -0.14 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 3cae s SER 52 CO 0.03 -1.83 0.28 -1.00 0.98 0.00 0.00 173.24 171.70 3cae s HIS 53 N 5.98 2.72 -0.00 5.02 3.76 -1.26 -5.14 115.29 126.36 3cae s HIS 53 Ca 0.42 -0.45 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3cae s HIS 53 Cb -0.06 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3cae s HIS 53 CO 0.08 0.09 -0.01 0.95 -0.85 0.00 0.00 174.74 174.99 3cae s THR 54 N -2.46 0.11 0.39 1.30 -4.23 -1.26 -5.16 115.64 104.33 3cae s THR 54 Ca 0.43 -0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 3cae s THR 54 Cb -0.02 -0.11 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 3cae s THR 54 CO 0.25 0.04 0.26 -0.47 -0.54 0.00 0.00 174.62 174.17 3cae s TYR 55 N 0.12 2.69 -0.31 3.99 5.04 -1.26 -5.12 117.35 122.50 3cae s TYR 55 Ca -0.01 -0.48 0.03 0.00 -2.44 0.00 0.00 57.07 54.17 3cae s TYR 55 Cb -0.02 -1.96 0.16 0.00 0.35 0.00 0.00 41.96 40.49 3cae s TYR 55 CO -0.00 0.10 0.44 0.99 -1.34 0.00 0.00 175.55 175.73 3cae s THR 56 N -2.49 -0.65 0.96 4.34 2.01 -1.26 -5.09 115.64 113.46 3cae s THR 56 Ca 0.43 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 3cae s THR 56 Cb -0.01 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.69 3cae s THR 56 CO 0.25 -0.28 0.41 -2.65 -0.69 0.00 0.00 174.62 171.66 3cae n PRO 57 N 5.11 -0.39 -0.02 4.92 -0.02 -1.26 -4.95 135.00 138.39 3cae n PRO 57 Ca 0.03 -0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.38 3cae n PRO 57 Cb 0.50 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.61 -0.07 -3.85 2.55 3.32 -1.85 -3.48 116.42 111.43 3cae h ASP 58 Ca -0.44 -0.34 -0.61 0.00 0.02 0.00 0.00 57.03 55.66 3cae h ASP 58 Cb 1.29 0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.65 3cae h ASP 58 CO 0.35 0.57 -0.83 -0.36 -1.72 0.00 0.00 179.24 177.24 3cae s PHE 59 N -2.23 2.04 -0.40 4.55 0.40 0.91 -4.99 117.98 118.25 3cae s PHE 59 Ca -0.08 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 3cae s PHE 59 Cb -0.01 -1.08 0.11 0.00 0.51 0.00 0.00 43.02 42.56 3cae s PHE 59 CO 0.30 0.31 0.13 -1.17 0.70 0.00 0.00 175.22 175.49 3cae s LEU 60 N -2.19 4.21 0.63 -0.37 2.96 -1.26 -0.74 118.68 121.92 3cae s LEU 60 Ca 0.12 -2.39 -0.17 0.00 -0.22 0.00 0.00 54.13 51.47 3cae s LEU 60 Cb -0.09 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3cae s LEU 60 CO 0.06 -0.33 1.16 -0.76 -1.32 0.00 0.00 176.35 175.16 3cae s LEU 61 N 0.58 3.54 0.41 -0.68 1.43 -0.49 -4.93 118.68 118.54 3cae s LEU 61 Ca 0.13 2.23 0.17 0.00 -1.03 0.00 0.00 54.13 55.62 3cae s LEU 61 Cb -0.21 -4.58 1.05 0.00 0.03 0.00 0.00 46.19 42.48 3cae s LEU 61 CO -0.07 -1.66 1.84 -0.65 0.23 0.00 0.00 176.35 176.05 3cae h PRO 62 N 0.48 0.43 -0.01 1.29 0.11 -1.95 -0.80 132.00 131.55 3cae h PRO 62 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3cae h PRO 62 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cae h PRO 62 CO 0.54 0.28 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 3cae n ASN 63 N -4.54 0.12 0.00 -2.05 0.23 -1.26 -4.80 115.26 102.96 3cae n ASN 63 Ca 0.20 -1.52 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 3cae n ASN 63 Cb 0.69 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.77 3.10 3.41 4.83 0.00 -0.30 -1.92 105.19 115.08 3cae n GLY 64 Ca 0.12 -0.88 -0.53 0.00 0.00 0.00 0.00 46.02 44.73 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 0.86 -3.74 -0.61 5.41 -1.26 -4.58 119.36 115.44 3cae n ILE 65 Ca 0.00 -0.22 -0.37 0.00 1.00 0.00 0.00 62.75 63.16 3cae n ILE 65 Cb 0.00 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.81 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 -0.43 3.12 -0.21 1.39 0.40 0.21 -1.39 117.98 121.06 3cae s PHE 66 Ca 0.78 -0.62 -0.07 0.00 -0.60 0.00 0.00 56.93 56.42 3cae s PHE 66 Cb -1.11 -2.26 -0.03 0.00 0.51 0.00 0.00 43.02 40.12 3cae s PHE 66 CO 0.56 -0.45 0.06 0.08 0.70 0.00 0.00 175.22 176.17 3cae s VAL 67 N 1.58 4.53 -0.16 -0.44 1.01 0.08 0.55 120.40 127.54 3cae s VAL 67 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3cae s VAL 67 Cb -0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3cae s VAL 67 CO 0.04 0.40 -0.12 -0.70 0.00 0.00 0.00 175.10 174.72 3cae s GLU 68 N 0.96 3.31 0.18 2.72 2.56 0.18 -0.06 118.70 128.54 3cae s GLU 68 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 54.97 54.15 3cae s GLU 68 Cb -0.14 -2.72 -0.07 0.00 2.00 0.00 0.00 34.13 33.19 3cae s GLU 68 CO 0.03 0.02 0.62 0.95 -0.56 0.00 0.00 175.26 176.32 3cae s THR 69 N 0.83 4.75 -0.10 -1.70 -4.23 -1.26 -0.75 115.64 113.18 3cae s THR 69 Ca -0.04 1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.43 3cae s THR 69 Cb -0.15 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 69.96 3cae s THR 69 CO 0.00 0.22 0.20 -0.75 -0.54 0.00 0.00 174.62 173.76 3cae s LYS 70 N -1.98 0.10 0.00 3.99 2.47 0.33 -4.88 119.74 119.78 3cae s LYS 70 Ca 0.40 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 55.39 3cae s LYS 70 Cb -0.16 -0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.05 3cae s LYS 70 CO 0.20 -0.26 0.00 0.41 0.16 0.00 0.00 175.35 175.86 3cae n GLY 71 N 4.98 1.69 3.63 5.54 0.00 -1.26 -2.13 105.19 117.64 3cae n GLY 71 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 3.96 -0.82 0.99 2.96 -1.26 -4.60 118.68 119.91 3cae s LEU 72 Ca 0.00 0.97 -0.16 0.00 -0.22 0.00 0.00 54.13 54.72 3cae s LEU 72 Cb 0.00 -3.46 0.18 0.00 0.50 0.00 0.00 46.19 43.41 3cae s LEU 72 CO 0.00 -0.84 0.85 0.86 -1.32 0.00 0.00 176.35 175.90 3cae s TRP 73 N 3.54 3.49 0.56 5.38 -0.00 -1.26 -5.04 118.94 125.60 3cae s TRP 73 Ca 0.43 -1.70 -0.21 0.00 -0.00 0.00 0.00 56.10 54.62 3cae s TRP 73 Cb -0.12 -3.97 -0.04 0.00 -0.00 0.00 0.00 33.47 29.33 3cae s TRP 73 CO 0.15 -1.16 1.33 -1.21 -0.00 0.00 0.00 176.95 176.06 3cae s GLU 74 N 1.17 3.09 0.59 5.86 0.41 -1.26 -4.85 118.70 123.71 3cae s GLU 74 Ca 0.21 2.16 0.33 0.00 -0.41 0.00 0.00 54.97 57.26 3cae s GLU 74 Cb -0.11 -2.19 1.86 0.00 -1.78 0.00 0.00 34.13 31.91 3cae s GLU 74 CO -0.07 -1.20 2.22 1.03 -0.49 0.00 0.00 175.26 176.75 3cae h SER 75 N 1.34 0.00 0.64 -0.19 0.87 -1.97 -1.63 113.55 112.61 3cae h SER 75 Ca -0.51 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.02 3cae h SER 75 Cb 1.30 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.27 3cae h SER 75 CO 0.57 0.03 -0.31 0.44 -0.53 0.00 0.00 176.83 177.04 3cae h ASP 76 N 0.00 -0.73 -0.65 6.23 3.32 -2.00 -1.22 116.42 121.38 3cae h ASP 76 Ca -0.00 0.03 0.15 0.00 0.02 0.00 0.00 57.03 57.22 3cae h ASP 76 Cb 0.13 0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3cae h ASP 76 CO 0.00 -0.51 0.45 -0.78 -1.72 0.00 0.00 179.24 176.68 3cae h ASP 77 N -0.88 0.23 -0.86 6.45 -0.00 -1.85 0.41 116.42 119.93 3cae h ASP 77 Ca -0.09 0.01 0.03 0.00 -0.00 0.00 0.00 57.03 56.98 3cae h ASP 77 Cb 0.66 -0.03 -0.05 0.00 -0.00 0.00 0.00 39.33 39.91 3cae h ASP 77 CO 0.14 0.12 0.56 0.03 -0.00 0.00 0.00 179.24 180.10 3cae h ARG 78 N 0.25 1.06 -0.04 0.28 3.08 -0.81 -1.13 114.38 117.07 3cae h ARG 78 Ca 0.31 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3cae h ARG 78 Cb 0.89 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3cae h ARG 78 CO -0.07 0.70 0.00 0.87 -1.07 0.00 0.00 179.97 180.41 3cae h LYS 79 N 1.10 0.07 -0.34 0.04 1.57 0.10 -2.71 116.57 116.40 3cae h LYS 79 Ca 0.33 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.16 3cae h LYS 79 Cb -0.03 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.20 3cae h LYS 79 CO -0.09 0.34 -0.18 0.87 -0.57 0.00 0.00 179.45 179.81 3cae h LYS 80 N -0.21 -0.13 -0.91 3.15 1.57 -0.78 0.12 116.57 119.39 3cae h LYS 80 Ca 0.01 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 3cae h LYS 80 Cb 0.30 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 3cae h LYS 80 CO 0.00 -0.09 0.58 0.45 -0.57 0.00 0.00 179.45 179.83 3cae h HIS 81 N -0.13 0.89 -0.05 -1.35 3.86 -1.17 0.21 115.15 117.41 3cae h HIS 81 Ca 0.17 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 3cae h HIS 81 Cb 0.40 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3cae h HIS 81 CO -0.40 0.34 0.02 -0.07 0.86 0.00 0.00 177.93 178.69 3cae h LEU 82 N 0.76 0.06 0.35 2.43 3.38 -0.53 -1.04 115.31 120.72 3cae h LEU 82 Ca 0.45 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 3cae h LEU 82 Cb 0.64 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3cae h LEU 82 CO -0.21 0.14 -0.35 -0.07 0.09 0.00 0.00 178.44 178.04 3cae h LEU 83 N -0.03 -0.94 -0.94 1.67 3.38 0.14 -2.83 115.31 115.76 3cae h LEU 83 Ca 0.02 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3cae h LEU 83 Cb 0.09 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 3cae h LEU 83 CO -0.00 -0.49 0.57 0.40 0.09 0.00 0.00 178.44 179.01 3cae h ILE 84 N -0.72 0.93 -0.11 1.22 2.04 -0.67 0.57 117.51 120.76 3cae h ILE 84 Ca -0.02 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3cae h ILE 84 Cb 0.65 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 3cae h ILE 84 CO -0.06 0.17 -0.42 0.03 0.00 0.00 0.00 178.15 177.87 3cae h ARG 85 N 0.93 -0.49 0.74 2.37 3.08 -0.96 0.19 114.38 120.26 3cae h ARG 85 Ca 0.45 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.50 3cae h ARG 85 Cb 0.41 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.58 3cae h ARG 85 CO -0.25 -0.32 -0.36 0.93 -1.07 0.00 0.00 179.97 178.90 3cae h GLU 86 N -0.50 -0.96 -0.09 0.04 5.08 -1.07 -2.15 114.58 114.94 3cae h GLU 86 Ca 0.07 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3cae h GLU 86 Cb 0.63 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3cae h GLU 86 CO -0.38 -0.64 0.11 1.96 -1.00 0.00 0.00 179.01 179.06 3cae h GLN 87 N -1.03 0.00 -2.04 2.33 4.20 0.17 -3.23 115.11 115.51 3cae h GLN 87 Ca -0.10 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.08 3cae h GLN 87 Cb 0.76 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.14 3cae h GLN 87 CO 0.17 0.00 -1.07 0.72 -0.67 0.00 0.00 178.83 177.98 3cae n HIS 88 N -3.68 0.61 0.25 2.96 8.25 0.67 -4.91 115.22 119.37 3cae n HIS 88 Ca -0.01 -3.77 0.04 0.00 -0.26 0.00 0.00 57.72 53.73 3cae n HIS 88 Cb 0.21 -0.41 0.18 0.00 1.12 0.00 0.00 29.99 31.09 3cae n HIS 88 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3cae n PRO 89 N 0.68 0.01 0.00 -0.41 -0.04 -0.81 -1.40 135.00 133.03 3cae n PRO 89 Ca 0.24 0.39 0.15 0.00 -0.04 0.00 0.00 63.50 64.24 3cae n PRO 89 Cb 0.57 -1.53 0.71 0.00 -0.04 0.00 0.00 33.50 33.20 3cae n PRO 89 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3cae n GLU 90 N -1.56 0.28 -4.28 0.54 0.00 -1.26 -4.82 120.64 109.55 3cae n GLU 90 Ca 0.02 -0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.86 3cae n GLU 90 Cb 0.09 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 29.94 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 -2.72 3.32 -0.31 -1.84 1.43 -0.50 -4.89 118.68 113.17 3cae s LEU 91 Ca 0.23 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 3cae s LEU 91 Cb 0.20 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3cae s LEU 91 CO 0.49 0.23 0.10 -0.62 0.23 0.00 0.00 176.35 176.78 3cae s ASP 92 N -1.87 5.24 -0.17 2.29 -1.08 -1.26 -5.03 116.67 114.80 3cae s ASP 92 Ca 0.21 -0.82 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 3cae s ASP 92 Cb -0.11 -1.90 0.04 0.00 -1.46 0.00 0.00 42.92 39.49 3cae s ASP 92 CO 0.13 -0.24 -0.08 -0.63 0.52 0.00 0.00 175.17 174.87 3cae s ILE 93 N 1.49 1.35 0.37 4.11 1.01 -1.26 0.67 121.20 128.93 3cae s ILE 93 Ca 0.02 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3cae s ILE 93 Cb -0.18 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3cae s ILE 93 CO 0.03 0.19 0.16 -0.13 0.00 0.00 0.00 174.94 175.19 3cae s ARG 94 N 1.54 2.31 0.02 2.79 0.52 0.19 -4.68 118.95 121.63 3cae s ARG 94 Ca 0.01 -1.66 0.06 0.00 -0.52 0.00 0.00 55.73 53.62 3cae s ARG 94 Cb -0.15 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 3cae s ARG 94 CO -0.08 0.02 -0.18 0.42 0.02 0.00 0.00 175.30 175.50 3cae s ILE 95 N -2.49 1.44 -0.14 1.52 1.01 -0.17 -0.65 121.20 121.72 3cae s ILE 95 Ca 0.39 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 3cae s ILE 95 Cb -0.00 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.26 3cae s ILE 95 CO 0.23 0.26 -0.10 -0.69 0.00 0.00 0.00 174.94 174.64 3cae s VAL 96 N -0.63 1.28 0.40 2.92 1.01 0.07 0.12 120.40 125.56 3cae s VAL 96 Ca 0.06 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3cae s VAL 96 Cb -0.08 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3cae s VAL 96 CO 0.01 0.35 0.37 -0.36 0.00 0.00 0.00 175.10 175.47 3cae s PHE 97 N 1.59 2.77 -0.87 5.22 0.40 0.13 0.12 117.98 127.35 3cae s PHE 97 Ca 0.04 -0.43 0.25 0.00 -0.60 0.00 0.00 56.93 56.19 3cae s PHE 97 Cb -0.13 -2.09 0.99 0.00 0.51 0.00 0.00 43.02 42.30 3cae s PHE 97 CO -0.09 -0.07 1.79 0.43 0.70 0.00 0.00 175.22 177.98 3cae n SER 98 N -1.53 0.31 -3.21 1.36 7.64 -0.90 -1.13 113.62 116.16 3cae n SER 98 Ca 0.03 0.54 0.04 0.00 1.01 0.00 0.00 58.87 60.49 3cae n SER 98 Cb 0.61 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 3cae n SER 98 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3cae s SER 99 N -3.57 -0.45 0.00 6.43 0.15 -1.26 -4.66 113.70 110.33 3cae s SER 99 Ca 0.11 0.39 0.12 0.00 0.70 0.00 0.00 55.95 57.26 3cae s SER 99 Cb 0.15 1.42 0.51 0.00 -1.71 0.00 0.00 66.02 66.39 3cae s SER 99 CO 0.50 -0.09 1.36 -1.54 1.20 0.00 0.00 173.24 174.66 3cae n SER 100 N 5.26 0.80 -0.05 5.45 3.41 -1.26 -3.20 113.62 124.02 3cae n SER 100 Ca -0.07 -1.79 -0.14 0.00 -0.26 0.00 0.00 58.87 56.60 3cae n SER 100 Cb 0.54 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.15 0.68 -1.38 4.33 5.12 -1.26 -1.83 116.66 122.16 3cae n ARG 101 Ca 0.10 0.20 -0.45 0.00 -1.93 0.00 0.00 57.85 55.76 3cae n ARG 101 Cb 0.16 -1.67 -0.02 0.00 -1.16 0.00 0.00 32.46 29.77 3cae n ARG 101 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3cae n THR 102 N -3.13 1.56 -3.14 0.55 -1.04 -1.19 -4.40 114.28 103.48 3cae n THR 102 Ca -0.29 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 60.86 3cae n THR 102 Cb 1.06 -0.09 -0.06 0.00 -1.82 0.00 0.00 70.33 69.43 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 -1.07 4.21 0.36 -2.82 -0.14 -1.26 0.04 119.74 119.06 3cae s LYS 103 Ca 0.62 0.81 0.18 0.00 -1.36 0.00 0.00 55.97 56.22 3cae s LYS 103 Cb -0.80 -2.90 1.18 0.00 -1.68 0.00 0.00 37.83 33.63 3cae s LYS 103 CO 0.58 0.41 1.65 -0.07 -0.76 0.00 0.00 175.35 177.17 3cae h LEU 104 N 3.47 0.45 -7.97 3.17 3.38 -1.07 -3.44 115.31 113.29 3cae h LEU 104 Ca -0.48 0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.72 3cae h LEU 104 Cb 1.19 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3cae h LEU 104 CO 0.65 -0.17 0.30 -0.72 0.09 0.00 0.00 178.44 178.59 3cae s TYR 105 N -5.58 -0.00 0.23 1.13 -0.85 -1.26 -4.77 117.35 106.24 3cae s TYR 105 Ca -0.09 -0.56 -0.32 0.00 -0.52 0.00 0.00 57.07 55.58 3cae s TYR 105 Cb 0.30 0.77 -0.14 0.00 0.38 0.00 0.00 41.96 43.28 3cae s TYR 105 CO 0.79 -1.36 1.38 1.63 -1.52 0.00 0.00 175.55 176.48 3cae n LYS 106 N -0.52 1.91 -0.93 -3.49 4.76 -1.26 -0.61 118.16 118.02 3cae n LYS 106 Ca -0.06 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 3cae n LYS 106 Cb 0.60 -2.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 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 2.20 0.10 3.69 0.72 0.00 -1.26 -4.94 105.19 105.70 3cae n GLY 107 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.03 6.85 -0.02 1.61 0.15 0.22 -4.88 113.70 115.61 3cae s SER 108 Ca 0.00 2.10 0.02 0.00 0.70 0.00 0.00 55.95 58.77 3cae s SER 108 Cb 0.00 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 61.86 3cae s SER 108 CO 0.00 -0.73 0.77 -0.81 1.20 0.00 0.00 173.24 173.68 3cae n PRO 109 N 5.50 1.46 -4.37 5.44 -0.04 -1.26 -4.77 135.00 136.95 3cae n PRO 109 Ca 0.13 -0.41 -0.21 0.00 -0.04 0.00 0.00 63.50 62.96 3cae n PRO 109 Cb 0.44 -1.47 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.40 0.80 0.09 0.52 2.01 -1.26 -5.10 115.64 111.30 3cae s THR 110 Ca 0.07 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 3cae s THR 110 Cb 0.05 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 3cae s THR 110 CO 0.03 0.27 0.32 -0.94 -0.69 0.00 0.00 174.62 173.61 3cae s SER 111 N 0.60 6.48 0.32 3.53 1.04 -1.26 -0.46 113.70 123.95 3cae s SER 111 Ca -0.10 0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.93 3cae s SER 111 Cb -0.13 -2.08 0.88 0.00 0.10 0.00 0.00 66.02 64.79 3cae s SER 111 CO 0.01 0.14 1.56 -1.22 0.98 0.00 0.00 173.24 174.71 3cae n TYR 112 N 0.46 0.74 -0.08 5.02 0.53 0.11 0.67 117.16 124.61 3cae n TYR 112 Ca -0.06 1.20 -0.07 0.00 -1.02 0.00 0.00 57.90 57.95 3cae n TYR 112 Cb 0.52 -1.31 -0.00 0.00 -1.03 0.00 0.00 39.34 37.51 3cae n TYR 112 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3cae h GLY 113 N 0.00 0.34 0.43 2.72 0.00 -1.62 -1.64 103.07 103.30 3cae h GLY 113 Ca 0.65 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 48.02 3cae h GLY 113 CO -0.90 0.00 0.05 0.83 0.00 0.00 0.00 176.54 176.52 3cae h GLU 114 N 0.18 0.17 -0.48 4.80 5.08 -0.03 -1.50 114.58 122.81 3cae h GLU 114 Ca 0.13 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3cae h GLU 114 Cb 0.13 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 3cae h GLU 114 CO -0.16 0.11 -0.36 0.35 -1.00 0.00 0.00 179.01 177.95 3cae h PHE 115 N 0.17 -1.01 -0.05 4.33 3.57 -0.50 0.53 116.94 123.99 3cae h PHE 115 Ca 0.20 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 3cae h PHE 115 Cb 0.27 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 3cae h PHE 115 CO -0.23 -0.40 -0.11 0.00 -2.23 0.00 0.00 178.31 175.35 3cae h GLU 117 N 0.07 0.29 0.00 0.00 5.08 -0.08 1.01 114.58 120.96 3cae h GLU 117 Ca 0.02 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3cae h GLU 117 Cb 0.24 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3cae h GLU 117 CO 0.02 1.01 -0.15 -0.22 -1.00 0.00 0.00 179.01 178.67 3cae h LYS 118 N 0.16 0.00 -0.15 2.33 3.64 -0.34 -2.92 116.57 119.30 3cae h LYS 118 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3cae h LYS 118 Cb 1.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3cae h LYS 118 CO 0.15 0.15 0.00 0.72 -2.27 0.00 0.00 179.45 178.19 3cae n HIS 119 N -3.76 0.20 -2.43 1.91 8.25 -1.04 -5.01 115.22 113.34 3cae n HIS 119 Ca -0.02 -0.51 -0.13 0.00 -0.26 0.00 0.00 57.72 56.81 3cae n HIS 119 Cb 0.26 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.08 -0.08 3.64 -1.41 0.00 -0.14 -5.01 105.19 102.09 3cae n GLY 120 Ca 0.05 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.74 5.24 -0.04 -0.61 1.01 0.33 -5.00 121.20 119.39 3cae s ILE 121 Ca 0.08 0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 3cae s ILE 121 Cb -0.03 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 3cae s ILE 121 CO 0.09 0.24 1.08 -0.54 0.00 0.00 0.00 174.94 175.81 3cae s LYS 122 N 1.58 4.44 0.35 2.79 1.02 -1.26 -4.39 119.74 124.27 3cae s LYS 122 Ca 0.14 1.53 0.03 0.00 0.02 0.00 0.00 55.97 57.69 3cae s LYS 122 Cb -0.15 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 3cae s LYS 122 CO 0.08 -0.27 0.09 -0.59 -0.92 0.00 0.00 175.35 173.74 3cae s PHE 123 N 1.64 1.85 0.08 3.18 -0.12 -1.25 -1.00 117.98 122.35 3cae s PHE 123 Ca 0.53 -1.10 -0.26 0.00 -0.05 0.00 0.00 56.93 56.05 3cae s PHE 123 Cb -0.22 -1.20 0.08 0.00 -0.63 0.00 0.00 43.02 41.05 3cae s PHE 123 CO 0.23 -0.14 0.73 0.00 -0.05 0.00 0.00 175.22 176.00 3cae s ALA 124 N -3.31 -1.71 -0.10 1.99 0.00 0.12 -4.90 121.76 113.85 3cae s ALA 124 Ca 0.31 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 3cae s ALA 124 Cb 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 3cae s ALA 124 CO 0.15 -0.70 0.00 -0.51 0.00 0.00 0.00 175.76 174.70 3cae s ASP 125 N -2.52 5.23 0.00 0.00 -0.00 -1.26 -0.69 116.67 117.42 3cae s ASP 125 Ca 0.02 0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.69 3cae s ASP 125 Cb -0.01 -1.52 0.00 0.00 -0.00 0.00 0.00 42.92 41.39 3cae s ASP 125 CO -0.10 0.35 0.00 0.29 -0.00 0.00 0.00 175.17 175.72 3cae n LYS 126 N 2.31 0.00 -4.32 8.23 5.02 -0.28 -4.75 118.16 124.36 3cae n LYS 126 Ca -0.18 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.94 3cae n LYS 126 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.44 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 2.35 -0.21 -0.35 2.01 -1.26 -4.92 118.68 116.29 3cae s LEU 127 Ca 0.00 -1.14 -0.29 0.00 0.01 0.00 0.00 54.13 52.71 3cae s LEU 127 Cb 0.00 -0.37 -0.03 0.00 0.01 0.00 0.00 46.19 45.81 3cae s LEU 127 CO 0.00 -0.42 1.60 -0.63 1.01 0.00 0.00 176.35 177.92 3cae s ILE 128 N -3.31 3.71 0.43 -0.59 1.01 -1.26 -4.94 121.20 116.25 3cae s ILE 128 Ca 0.25 0.81 -0.23 0.00 0.00 0.00 0.00 60.65 61.48 3cae s ILE 128 Cb 0.04 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.68 3cae s ILE 128 CO 0.07 -0.29 0.71 -2.65 0.00 0.00 0.00 174.94 172.78 3cae n PRO 129 N 7.61 0.81 0.12 2.79 -0.02 -1.26 -4.84 135.00 140.20 3cae n PRO 129 Ca 0.18 0.30 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 3cae n PRO 129 Cb 0.45 -1.70 0.24 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.00 1.14 -0.81 3.55 0.00 -1.99 -2.65 119.26 119.50 3cae h ALA 130 Ca -0.42 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.17 3cae h ALA 130 Cb 1.38 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 3cae h ALA 130 CO 0.53 0.59 0.46 0.93 0.00 0.00 0.00 179.25 181.76 3cae h GLU 131 N 0.14 0.75 -0.20 0.00 4.39 -1.97 0.17 114.58 117.85 3cae h GLU 131 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3cae h GLU 131 Cb 0.82 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3cae h GLU 131 CO 0.06 0.50 0.07 -1.49 -1.16 0.00 0.00 179.01 176.99 3cae h TRP 132 N 0.77 0.32 -0.85 4.33 4.06 -1.84 -0.90 115.95 121.84 3cae h TRP 132 Ca 0.39 -0.03 0.09 0.00 2.06 0.00 0.00 58.89 61.40 3cae h TRP 132 Cb 0.36 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 28.37 3cae h TRP 132 CO -0.06 0.39 0.55 0.82 -3.56 0.00 0.00 178.44 176.57 3cae h ILE 133 N 0.16 0.97 -0.01 1.49 2.04 -0.92 -1.35 117.51 119.89 3cae h ILE 133 Ca 0.07 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3cae h ILE 133 Cb 0.21 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3cae h ILE 133 CO -0.00 0.15 -0.22 0.29 0.00 0.00 0.00 178.15 178.37 3cae n LYS 134 N -4.52 1.06 -1.74 2.37 5.02 0.48 -4.89 118.16 115.95 3cae n LYS 134 Ca 0.14 -0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 55.36 3cae n LYS 134 Cb 0.30 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 3cae n LYS 134 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3cae n GLU 135 N -0.40 2.64 -1.63 1.97 1.02 -0.37 -4.90 120.64 118.98 3cae n GLU 135 Ca 0.13 0.94 -0.46 0.00 -0.02 0.00 0.00 57.16 57.75 3cae n GLU 135 Cb 0.36 -2.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.05 3cae n GLU 135 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3cae n PRO 136 N 1.99 1.65 -0.71 3.49 -0.04 -1.26 -4.72 135.00 135.41 3cae n PRO 136 Ca 0.08 0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 63.81 3cae n PRO 136 Cb 0.36 -2.17 0.16 0.00 -0.04 0.00 0.00 33.50 31.81 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 1.85 -0.67 -3.63 0.54 4.81 -1.26 -4.91 118.16 114.89 3cae n LYS 137 Ca 0.13 -0.15 -0.05 0.00 -0.87 0.00 0.00 58.31 57.37 3cae n LYS 137 Cb 0.29 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.19 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 -4.09 0.61 0.39 1.64 -2.85 -0.81 -5.00 119.74 109.64 3cae s LYS 138 Ca 0.62 1.14 -0.22 0.00 -1.00 0.00 0.00 55.97 56.51 3cae s LYS 138 Cb -0.22 0.26 -0.14 0.00 -2.06 0.00 0.00 37.83 35.67 3cae s LYS 138 CO 0.63 -0.14 0.35 0.39 0.10 0.00 0.00 175.35 176.68 3cae n GLU 139 N 4.42 0.28 -3.93 1.78 -0.58 -1.26 -4.34 120.64 117.01 3cae n GLU 139 Ca -0.18 0.10 -0.29 0.00 -0.42 0.00 0.00 57.16 56.38 3cae n GLU 139 Cb 0.57 -1.25 -0.16 0.00 -0.57 0.00 0.00 31.44 30.03 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 -1.52 1.28 -0.79 2.62 1.01 -1.26 -5.00 120.40 116.74 3cae s VAL 140 Ca 0.62 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 3cae s VAL 140 Cb -0.65 -1.36 -0.16 0.00 0.00 0.00 0.00 36.38 34.22 3cae s VAL 140 CO 0.60 0.24 1.91 -0.81 0.00 0.00 0.00 175.10 177.03 3cae n PRO 141 N 4.83 1.42 0.20 2.72 -0.04 -1.26 -4.76 135.00 138.11 3cae n PRO 141 Ca -0.13 -1.89 0.10 0.00 -0.04 0.00 0.00 63.50 61.53 3cae n PRO 141 Cb 0.48 -3.03 0.54 0.00 -0.04 0.00 0.00 33.50 31.45 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 8.33 0.00 -0.15 0.54 -1.00 -1.97 0.13 116.94 122.82 3cae h PHE 142 Ca 0.38 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.93 3cae h PHE 142 Cb 0.71 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.29 3cae h PHE 142 CO 1.22 0.00 -0.79 -0.44 -1.61 0.00 0.00 178.31 176.69 3cae h ASP 143 N 0.00 0.94 0.00 2.17 3.32 -2.03 -2.78 116.42 118.05 3cae h ASP 143 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.41 3cae h ASP 143 Cb 0.43 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3cae h ASP 143 CO 0.00 1.43 0.00 0.54 -1.72 0.00 0.00 179.24 179.49 3cae n ARG 144 N -3.94 0.69 -4.60 3.56 5.12 0.03 -4.79 116.66 112.73 3cae n ARG 144 Ca -0.08 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.57 3cae n ARG 144 Cb 0.75 -1.16 -0.09 0.00 -1.16 0.00 0.00 32.46 30.80 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 -1.32 2.29 0.06 0.55 1.43 -1.05 -5.12 118.68 115.53 3cae s LEU 145 Ca 0.11 -1.55 0.06 0.00 -1.03 0.00 0.00 54.13 51.72 3cae s LEU 145 Cb 0.05 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 3cae s LEU 145 CO 0.08 -0.75 -0.17 -0.54 0.23 0.00 0.00 176.35 175.20 3cae s LYS 146 N -3.80 1.07 0.09 1.70 1.02 -1.26 -5.00 119.74 113.56 3cae s LYS 146 Ca 0.23 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 55.14 3cae s LYS 146 Cb 0.05 -1.17 -0.06 0.00 -0.52 0.00 0.00 37.83 36.12 3cae s LYS 146 CO 0.12 0.28 0.50 0.50 -0.92 0.00 0.00 175.35 175.83 3cae s ARG 147 N -1.43 3.97 0.00 1.68 3.52 -1.26 -5.17 118.95 120.27 3cae s ARG 147 Ca 0.04 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 3cae s ARG 147 Cb -0.09 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 3cae s ARG 147 CO 0.02 0.57 0.45 0.36 -0.81 0.00 0.00 175.30 175.89