#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cuo s SER 2 N 0.00 7.08 -0.31 0.00 0.15 -1.26 -4.96 113.70 114.40 1cuo s SER 2 Ca 0.00 1.29 0.08 0.00 0.70 0.00 0.00 55.95 58.02 1cuo s SER 2 Cb 0.00 -2.41 0.50 0.00 -1.71 0.00 0.00 66.02 62.40 1cuo s SER 2 CO 0.00 0.06 1.47 0.00 1.20 0.00 0.00 173.24 175.98 1cuo s GLU 4 N -3.32 0.56 0.07 0.00 2.12 -1.26 -1.31 118.70 115.56 1cuo s GLU 4 Ca 0.46 -0.26 -0.10 0.00 0.36 0.00 0.00 54.97 55.43 1cuo s GLU 4 Cb 0.41 0.24 0.01 0.00 0.26 0.00 0.00 34.13 35.05 1cuo s GLU 4 CO -0.00 -0.14 0.22 -0.08 -0.54 0.00 0.00 175.26 174.72 1cuo s THR 5 N -1.26 0.12 -0.10 -1.70 -1.32 -0.45 -4.96 115.64 105.97 1cuo s THR 5 Ca -0.13 -0.98 0.04 0.00 -1.21 0.00 0.00 61.69 59.40 1cuo s THR 5 Cb -0.06 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 1cuo s THR 5 CO 0.03 -0.54 -0.22 -0.89 -2.21 0.00 0.00 174.62 170.78 1cuo s THR 6 N -3.27 1.93 -0.12 5.08 2.01 -1.26 -0.91 115.64 119.10 1cuo s THR 6 Ca 0.00 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1cuo s THR 6 Cb 0.02 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 1cuo s THR 6 CO -0.08 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.50 1cuo s VAL 7 N 0.44 2.50 0.28 3.82 1.01 -0.16 -4.96 120.40 123.34 1cuo s VAL 7 Ca -0.17 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.05 1cuo s VAL 7 Cb -0.17 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1cuo s VAL 7 CO 0.07 0.54 -0.04 0.42 0.00 0.00 0.00 175.10 176.09 1cuo s THR 8 N 0.41 3.13 0.25 3.92 -4.23 -1.26 -1.86 115.64 115.99 1cuo s THR 8 Ca -0.14 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.33 1cuo s THR 8 Cb -0.17 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 1cuo s THR 8 CO 0.06 -0.35 0.25 -0.94 -0.54 0.00 0.00 174.62 173.10 1cuo s SER 9 N -3.65 0.47 0.00 3.99 1.04 -0.32 -1.17 113.70 114.06 1cuo s SER 9 Ca 0.32 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1cuo s SER 9 Cb -0.05 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1cuo s SER 9 CO 0.19 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1cuo n GLY 10 N -0.38 3.82 0.87 7.32 0.00 -1.26 -0.52 105.19 115.03 1cuo n GLY 10 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1cuo n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cuo n ASP 11 N 0.00 2.21 -4.52 1.61 10.43 -1.26 -4.66 116.55 120.36 1cuo n ASP 11 Ca 0.00 -2.23 -0.29 0.00 2.57 0.00 0.00 54.79 54.83 1cuo n ASP 11 Cb 0.00 -0.55 -0.05 0.00 1.84 0.00 0.00 41.12 42.36 1cuo n ASP 11 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1cuo n THR 12 N 0.14 0.00 -2.09 -3.53 -2.24 -1.26 -5.06 114.28 100.24 1cuo n THR 12 Ca 0.07 -2.20 -0.33 0.00 -2.27 0.00 0.00 64.05 59.32 1cuo n THR 12 Cb 0.50 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.12 1cuo n THR 12 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1cuo n MET 13 N -1.27 3.07 -4.30 -0.78 2.81 -1.26 -4.98 117.12 110.41 1cuo n MET 13 Ca -0.17 -3.93 -0.18 0.00 -1.81 0.00 0.00 57.70 51.62 1cuo n MET 13 Cb 0.60 -2.26 -0.14 0.00 -0.71 0.00 0.00 33.22 30.70 1cuo n MET 13 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1cuo s THR 14 N -5.20 0.78 0.48 2.03 -4.23 -1.26 -3.42 115.64 104.81 1cuo s THR 14 Ca 0.51 -0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1cuo s THR 14 Cb 0.43 -0.70 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 1cuo s THR 14 CO -0.27 0.04 0.76 -0.31 -0.54 0.00 0.00 174.62 174.31 1cuo s TYR 15 N -0.58 3.45 -0.07 3.99 2.02 -1.26 -4.48 117.35 120.42 1cuo s TYR 15 Ca 0.01 0.64 0.31 0.00 -0.37 0.00 0.00 57.07 57.65 1cuo s TYR 15 Cb -0.06 -2.32 1.11 0.00 -0.40 0.00 0.00 41.96 40.30 1cuo s TYR 15 CO 0.00 -0.33 1.88 0.66 -1.57 0.00 0.00 175.55 176.20 1cuo h SER 16 N 0.25 0.00 -4.62 2.29 4.64 -1.52 -3.43 113.55 111.16 1cuo h SER 16 Ca -0.47 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.70 1cuo h SER 16 Cb 1.22 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.09 1cuo h SER 16 CO 0.61 0.00 -0.49 0.28 -0.87 0.00 0.00 176.83 176.36 1cuo s THR 17 N -3.53 0.06 -0.76 2.95 -1.32 -1.26 -4.98 115.64 106.79 1cuo s THR 17 Ca 0.03 -0.47 0.11 0.00 -1.21 0.00 0.00 61.69 60.14 1cuo s THR 17 Cb 0.08 -0.39 0.31 0.00 -1.51 0.00 0.00 72.50 70.99 1cuo s THR 17 CO 0.56 -0.26 1.25 0.54 -2.21 0.00 0.00 174.62 174.51 1cuo n ARG 18 N 1.91 2.88 -3.72 7.08 1.74 -1.26 -4.88 116.66 120.41 1cuo n ARG 18 Ca -0.20 -2.11 -0.12 0.00 -0.77 0.00 0.00 57.85 54.66 1cuo n ARG 18 Cb 0.57 -1.32 -0.12 0.00 -1.02 0.00 0.00 32.46 30.56 1cuo n ARG 18 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1cuo s SER 19 N -1.13 -0.37 -0.10 0.55 1.04 -1.26 -0.54 113.70 111.89 1cuo s SER 19 Ca 0.24 0.68 0.03 0.00 0.48 0.00 0.00 55.95 57.38 1cuo s SER 19 Cb 0.14 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.83 1cuo s SER 19 CO 0.14 -0.17 -0.19 -0.63 0.98 0.00 0.00 173.24 173.36 1cuo s ILE 20 N 1.27 1.73 -0.20 -1.02 1.01 -0.31 -4.97 121.20 118.72 1cuo s ILE 20 Ca -0.09 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 1cuo s ILE 20 Cb -0.09 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1cuo s ILE 20 CO -0.10 0.49 0.01 -0.44 0.00 0.00 0.00 174.94 174.90 1cuo s SER 21 N 0.57 4.96 -0.28 3.58 0.01 -1.26 -1.58 113.70 119.70 1cuo s SER 21 Ca -0.15 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 56.87 1cuo s SER 21 Cb -0.17 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1cuo s SER 21 CO 0.05 0.08 0.12 -0.69 0.41 0.00 0.00 173.24 173.22 1cuo s VAL 22 N 0.89 4.62 0.15 3.43 1.01 0.12 -4.92 120.40 125.70 1cuo s VAL 22 Ca 0.01 -0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 1cuo s VAL 22 Cb -0.14 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 1cuo s VAL 22 CO 0.02 0.23 1.55 -2.84 0.00 0.00 0.00 175.10 174.06 1cuo s PRO 23 N 1.65 4.23 0.23 2.72 0.02 -1.26 0.08 135.00 142.67 1cuo s PRO 23 Ca 0.06 2.32 0.21 0.00 0.02 0.00 0.00 61.00 63.60 1cuo s PRO 23 Cb -0.16 -3.21 0.93 0.00 0.02 0.00 0.00 34.50 32.08 1cuo s PRO 23 CO 0.06 -0.59 1.64 0.00 -0.33 0.00 0.00 177.00 177.78 1cuo n ALA 24 N 4.13 1.50 0.66 -1.55 0.00 0.24 -1.52 120.51 123.97 1cuo n ALA 24 Ca 0.14 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.79 1cuo n ALA 24 Cb 0.39 -1.34 0.46 0.00 0.00 0.00 0.00 19.45 18.97 1cuo n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cuo n SER 25 N -2.12 0.55 -4.74 0.00 3.41 -1.26 -4.77 113.62 104.67 1cuo n SER 25 Ca 0.01 0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 58.79 1cuo n SER 25 Cb 0.17 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 1cuo n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cuo h ALA 27 N 4.57 0.09 -2.79 0.00 0.00 -1.88 -3.42 119.26 115.83 1cuo h ALA 27 Ca -0.45 -0.98 -0.24 0.00 0.00 0.00 0.00 54.91 53.25 1cuo h ALA 27 Cb 1.21 0.18 -0.19 0.00 0.00 0.00 0.00 17.79 18.99 1cuo h ALA 27 CO 0.69 0.96 -0.72 -1.21 0.00 0.00 0.00 179.25 178.97 1cuo s GLU 28 N -2.62 0.62 -0.01 0.00 2.02 -1.26 -1.95 118.70 115.50 1cuo s GLU 28 Ca -0.08 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 53.97 1cuo s GLU 28 Cb 0.06 -0.21 -0.00 0.00 0.10 0.00 0.00 34.13 34.08 1cuo s GLU 28 CO 0.89 0.01 -0.09 0.12 0.02 0.00 0.00 175.26 176.21 1cuo s PHE 29 N -2.29 0.88 -0.11 1.61 2.19 -0.06 -4.85 117.98 115.36 1cuo s PHE 29 Ca -0.02 -0.18 0.01 0.00 0.33 0.00 0.00 56.93 57.07 1cuo s PHE 29 Cb -0.04 -0.59 -0.01 0.00 -1.31 0.00 0.00 43.02 41.07 1cuo s PHE 29 CO -0.02 -0.04 -0.15 0.99 1.83 0.00 0.00 175.22 177.83 1cuo s THR 30 N -0.08 2.91 -0.29 0.12 2.01 -0.42 -1.07 115.64 118.81 1cuo s THR 30 Ca 0.01 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 1cuo s THR 30 Cb -0.05 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.28 1cuo s THR 30 CO -0.00 0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 173.83 1cuo s VAL 31 N 0.16 3.68 0.00 3.82 1.01 0.17 -1.34 120.40 127.89 1cuo s VAL 31 Ca -0.08 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 1cuo s VAL 31 Cb -0.15 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 1cuo s VAL 31 CO 0.05 0.06 0.48 0.20 0.00 0.00 0.00 175.10 175.89 1cuo s ASN 32 N 1.44 6.88 -0.05 3.32 -0.87 -0.09 -1.33 114.94 124.23 1cuo s ASN 32 Ca 0.01 1.04 0.01 0.00 -1.57 0.00 0.00 52.86 52.35 1cuo s ASN 32 Cb -0.18 -2.30 0.02 0.00 -0.02 0.00 0.00 41.25 38.78 1cuo s ASN 32 CO 0.01 0.24 -0.06 0.12 -2.57 0.00 0.00 177.10 174.84 1cuo s PHE 33 N -0.73 0.90 0.06 2.20 5.99 0.01 -0.99 117.98 125.42 1cuo s PHE 33 Ca 0.26 -0.29 0.06 0.00 0.00 0.00 0.00 56.93 56.96 1cuo s PHE 33 Cb -0.17 -0.78 -0.03 0.00 0.00 0.00 0.00 43.02 42.05 1cuo s PHE 33 CO 0.15 -0.23 -0.16 -1.21 -0.00 0.00 0.00 175.22 173.77 1cuo s GLU 34 N 1.00 0.97 -0.29 10.12 2.02 -0.78 -0.92 118.70 130.82 1cuo s GLU 34 Ca -0.10 -0.88 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 1cuo s GLU 34 Cb -0.14 -1.02 0.05 0.00 0.10 0.00 0.00 34.13 33.12 1cuo s GLU 34 CO -0.00 0.24 -0.03 -1.58 0.02 0.00 0.00 175.26 173.91 1cuo s HIS 35 N -1.00 3.26 -2.04 1.61 5.65 -0.72 -1.17 115.29 120.88 1cuo s HIS 35 Ca 0.02 -1.98 0.19 0.00 0.25 0.00 0.00 55.06 53.53 1cuo s HIS 35 Cb -0.09 -2.06 0.53 0.00 -1.18 0.00 0.00 32.58 29.79 1cuo s HIS 35 CO 0.02 -0.82 1.45 1.63 -0.65 0.00 0.00 174.74 176.36 1cuo n LYS 36 N 4.57 2.39 -1.02 2.88 5.02 0.32 -1.00 118.16 131.32 1cuo n LYS 36 Ca -0.13 -2.15 -0.13 0.00 -2.02 0.00 0.00 58.31 53.88 1cuo n LYS 36 Cb 0.43 -1.47 0.09 0.00 -0.02 0.00 0.00 35.03 34.06 1cuo n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1cuo n GLY 37 N 1.45 -0.89 0.39 0.72 0.00 -1.26 -4.81 105.19 100.81 1cuo n GLY 37 Ca 0.20 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.52 1cuo n GLY 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cuo n HIS 38 N -2.69 0.04 -3.43 1.61 1.44 -1.26 -3.41 115.22 107.52 1cuo n HIS 38 Ca 0.08 -0.05 -0.36 0.00 -2.01 0.00 0.00 57.72 55.38 1cuo n HIS 38 Cb 0.27 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.32 1cuo n HIS 38 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1cuo s MET 39 N -0.81 3.93 0.92 -1.40 -1.94 -1.26 -4.82 119.30 113.91 1cuo s MET 39 Ca 0.12 0.41 -0.14 0.00 -1.71 0.00 0.00 55.69 54.37 1cuo s MET 39 Cb 0.08 -3.01 0.17 0.00 2.01 0.00 0.00 34.83 34.09 1cuo s MET 39 CO 0.12 0.54 1.27 -1.25 -0.01 0.00 0.00 175.02 175.69 1cuo s PRO 40 N -1.78 0.97 0.58 2.03 0.04 -1.26 -0.63 135.00 134.95 1cuo s PRO 40 Ca 0.34 -0.35 0.36 0.00 0.04 0.00 0.00 61.00 61.39 1cuo s PRO 40 Cb -0.15 -1.90 1.65 0.00 0.04 0.00 0.00 34.50 34.13 1cuo s PRO 40 CO 0.18 -2.19 2.09 1.57 0.04 0.00 0.00 177.00 178.69 1cuo h LYS 41 N -1.45 0.00 -5.52 4.56 2.10 -1.83 -1.34 116.57 113.09 1cuo h LYS 41 Ca -0.44 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.54 1cuo h LYS 41 Cb 1.25 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.45 1cuo h LYS 41 CO 0.44 0.01 1.42 0.95 -2.00 0.00 0.00 179.45 180.26 1cuo s THR 42 N -3.81 4.38 0.00 0.07 -4.23 -1.26 -2.69 115.64 108.10 1cuo s THR 42 Ca -0.01 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1cuo s THR 42 Cb 0.10 -4.98 0.00 0.00 1.34 0.00 0.00 72.50 68.96 1cuo s THR 42 CO 0.51 -1.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.42 1cuo n GLY 43 N 5.73 0.86 2.67 3.99 0.00 -1.25 -4.91 105.19 112.28 1cuo n GLY 43 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1cuo n GLY 43 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1cuo n MET 44 N 0.00 1.51 -2.31 1.61 0.00 -0.50 -5.05 117.12 112.38 1cuo n MET 44 Ca 0.00 -3.22 -0.33 0.00 -0.00 0.00 0.00 57.70 54.15 1cuo n MET 44 Cb 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 33.22 31.88 1cuo n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1cuo s GLY 45 N -3.47 2.19 0.03 -5.12 0.00 -1.10 -4.61 107.32 95.24 1cuo s GLY 45 Ca 0.27 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.32 1cuo s GLY 45 CO -0.06 0.66 0.03 0.30 0.00 0.00 0.00 173.10 174.04 1cuo s HIS 46 N -2.41 0.25 0.25 1.90 3.76 -0.33 -4.78 115.29 113.94 1cuo s HIS 46 Ca 0.63 -0.55 0.04 0.00 -0.15 0.00 0.00 55.06 55.03 1cuo s HIS 46 Cb -0.14 -0.19 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 1cuo s HIS 46 CO 0.30 -0.29 0.24 0.27 -0.85 0.00 0.00 174.74 174.42 1cuo n ASN 47 N 1.10 -0.62 -3.74 1.40 0.23 -1.26 -1.08 115.26 111.29 1cuo n ASN 47 Ca -0.21 -2.56 -0.26 0.00 -0.53 0.00 0.00 54.58 51.01 1cuo n ASN 47 Cb 0.57 1.36 -0.17 0.00 -2.08 0.00 0.00 39.78 39.46 1cuo n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 1cuo s TRP 48 N -3.08 0.90 -0.07 -2.53 -0.00 -1.26 -4.25 118.94 108.65 1cuo s TRP 48 Ca 0.28 -0.66 0.06 0.00 -0.00 0.00 0.00 56.10 55.77 1cuo s TRP 48 Cb 0.01 -0.96 -0.01 0.00 -0.00 0.00 0.00 33.47 32.51 1cuo s TRP 48 CO 0.20 -0.54 -0.25 0.08 -0.00 0.00 0.00 176.95 176.44 1cuo s VAL 49 N 1.90 2.08 -0.13 5.86 1.01 0.15 -1.06 120.40 130.22 1cuo s VAL 49 Ca 0.01 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 1cuo s VAL 49 Cb -0.16 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1cuo s VAL 49 CO -0.07 0.57 -0.12 -0.22 0.00 0.00 0.00 175.10 175.25 1cuo s LEU 50 N -0.07 2.78 0.13 3.92 2.96 0.14 -1.00 118.68 127.54 1cuo s LEU 50 Ca -0.06 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 1cuo s LEU 50 Cb -0.15 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1cuo s LEU 50 CO 0.05 0.18 0.24 0.00 -1.32 0.00 0.00 176.35 175.50 1cuo s ALA 51 N 0.25 -0.06 0.57 5.97 0.00 -0.77 -0.95 121.76 126.77 1cuo s ALA 51 Ca -0.08 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 1cuo s ALA 51 Cb -0.15 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1cuo s ALA 51 CO 0.05 -0.59 1.25 0.15 0.00 0.00 0.00 175.76 176.62 1cuo s LYS 52 N -3.93 3.09 0.45 0.00 1.02 -1.26 -1.26 119.74 117.85 1cuo s LYS 52 Ca 0.13 1.95 0.14 0.00 0.02 0.00 0.00 55.97 58.21 1cuo s LYS 52 Cb 0.04 -2.08 1.07 0.00 -0.52 0.00 0.00 37.83 36.34 1cuo s LYS 52 CO -0.04 -1.14 2.00 0.77 -0.92 0.00 0.00 175.35 176.02 1cuo h SER 53 N 1.18 0.31 1.00 2.83 0.02 -1.40 -1.03 113.55 116.46 1cuo h SER 53 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1cuo h SER 53 Cb 1.30 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1cuo h SER 53 CO 0.56 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.45 1cuo h ALA 54 N 1.73 1.00 -0.00 3.77 0.00 -1.90 -3.01 119.26 120.84 1cuo h ALA 54 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cuo h ALA 54 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1cuo h ALA 54 CO -0.06 0.00 -0.79 -0.25 0.00 0.00 0.00 179.25 178.15 1cuo n ASP 55 N -2.79 0.99 -0.09 0.00 8.00 -0.40 -4.60 116.55 117.66 1cuo n ASP 55 Ca 0.01 -0.87 -0.06 0.00 0.71 0.00 0.00 54.79 54.58 1cuo n ASP 55 Cb 0.30 0.73 0.01 0.00 -0.02 0.00 0.00 41.12 42.13 1cuo n ASP 55 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1cuo h VAL 56 N 0.31 0.75 -0.32 2.53 2.07 -1.47 -1.51 116.25 118.61 1cuo h VAL 56 Ca 0.00 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1cuo h VAL 56 Cb 0.53 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1cuo h VAL 56 CO 0.00 0.02 -0.12 1.23 0.02 0.00 0.00 177.57 178.72 1cuo h GLY 57 N 0.08 0.17 1.22 2.17 0.00 -1.82 0.25 103.07 105.14 1cuo h GLY 57 Ca 0.16 0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.49 1cuo h GLY 57 CO -0.28 -0.15 -0.35 -0.55 0.00 0.00 0.00 176.54 175.21 1cuo h ASP 58 N -0.06 0.91 -0.62 0.19 3.32 -1.82 -0.68 116.42 117.67 1cuo h ASP 58 Ca 0.16 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1cuo h ASP 58 Cb 0.30 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1cuo h ASP 58 CO -0.36 1.17 0.33 0.58 -1.72 0.00 0.00 179.24 179.23 1cuo h VAL 59 N 0.72 1.20 -0.41 -1.35 2.07 -0.86 -1.77 116.25 115.85 1cuo h VAL 59 Ca 0.07 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1cuo h VAL 59 Cb 0.92 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1cuo h VAL 59 CO 0.09 0.22 0.10 0.00 0.02 0.00 0.00 177.57 178.00 1cuo h ALA 60 N 1.15 0.55 -0.01 1.67 0.00 -0.88 0.91 119.26 122.65 1cuo h ALA 60 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cuo h ALA 60 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1cuo h ALA 60 CO -0.03 0.23 -0.01 0.87 0.00 0.00 0.00 179.25 180.31 1cuo h LYS 61 N 0.53 -0.01 -0.27 0.00 1.57 -0.89 -1.59 116.57 115.91 1cuo h LYS 61 Ca 0.13 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.72 1cuo h LYS 61 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1cuo h LYS 61 CO 0.00 -0.01 -0.58 0.93 -0.57 0.00 0.00 179.45 179.23 1cuo h GLU 62 N -0.01 0.85 -0.64 3.15 5.08 -1.33 -3.22 114.58 118.47 1cuo h GLU 62 Ca 0.01 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1cuo h GLU 62 Cb 0.02 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1cuo h GLU 62 CO -0.02 1.19 0.39 0.78 -1.00 0.00 0.00 179.01 180.35 1cuo h GLY 63 N 0.70 0.91 1.99 -3.84 0.00 -0.74 -2.30 103.07 99.78 1cuo h GLY 63 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1cuo h GLY 63 CO 0.13 0.35 -0.10 0.00 0.00 0.00 0.00 176.54 176.92 1cuo h ALA 64 N 1.56 1.82 -0.01 3.60 0.00 -1.29 -1.15 119.26 123.79 1cuo h ALA 64 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1cuo h ALA 64 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1cuo h ALA 64 CO -0.04 0.14 -0.05 0.72 0.00 0.00 0.00 179.25 180.01 1cuo n HIS 65 N -4.41 0.00 0.37 0.00 -0.00 -0.89 -4.04 115.22 106.25 1cuo n HIS 65 Ca -0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.82 1cuo n HIS 65 Cb 0.18 -0.03 0.30 0.00 -0.00 0.00 0.00 29.99 30.44 1cuo n HIS 65 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1cuo h ALA 66 N 4.16 1.00 0.00 -1.41 0.00 -0.95 -3.50 119.26 118.56 1cuo h ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cuo h ALA 66 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1cuo h ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1cuo n GLY 67 N 1.05 -0.11 0.26 0.00 0.00 -1.26 -4.17 105.19 100.97 1cuo n GLY 67 Ca 0.04 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.45 1cuo n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cuo h ALA 68 N 0.00 1.58 0.00 4.61 0.00 -1.93 -1.06 119.26 122.46 1cuo h ALA 68 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1cuo h ALA 68 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1cuo h ALA 68 CO 0.00 0.31 0.00 -0.44 0.00 0.00 0.00 179.25 179.12 1cuo h ASP 69 N 0.31 0.00 -0.47 0.00 5.19 -2.02 -1.45 116.42 117.98 1cuo h ASP 69 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1cuo h ASP 69 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1cuo h ASP 69 CO 0.01 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.72 1cuo n ASN 70 N -2.90 4.92 -2.14 6.45 3.02 -0.47 -4.95 115.26 119.20 1cuo n ASN 70 Ca 0.00 -2.87 -0.17 0.00 -0.03 0.00 0.00 54.58 51.51 1cuo n ASN 70 Cb 0.26 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 1cuo n ASN 70 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cuo n ASN 71 N 0.31 -4.94 -3.73 6.41 4.13 -0.55 -1.66 115.26 115.24 1cuo n ASN 71 Ca 0.25 0.18 -0.28 0.00 1.68 0.00 0.00 54.58 56.42 1cuo n ASN 71 Cb 1.04 -4.23 0.04 0.00 -1.54 0.00 0.00 39.78 35.09 1cuo n ASN 71 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1cuo n PHE 72 N -3.26 -2.44 -4.11 3.10 3.72 -0.80 -4.68 117.46 108.99 1cuo n PHE 72 Ca -0.20 0.89 -0.20 0.00 -0.05 0.00 0.00 57.45 57.90 1cuo n PHE 72 Cb 0.63 -4.28 -0.16 0.00 -0.94 0.00 0.00 39.48 34.73 1cuo n PHE 72 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1cuo s VAL 73 N -3.28 0.49 0.22 -4.37 1.01 -0.66 -4.32 120.40 109.49 1cuo s VAL 73 Ca 0.61 -0.08 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1cuo s VAL 73 Cb -0.29 -0.53 -0.12 0.00 0.00 0.00 0.00 36.38 35.44 1cuo s VAL 73 CO 0.75 0.22 1.71 -0.89 0.00 0.00 0.00 175.10 176.89 1cuo s THR 74 N 0.99 2.00 0.13 3.92 2.01 -1.26 -4.84 115.64 118.59 1cuo s THR 74 Ca -0.10 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.57 1cuo s THR 74 Cb -0.14 -3.00 -0.12 0.00 0.01 0.00 0.00 72.50 69.24 1cuo s THR 74 CO -0.00 0.00 1.72 -2.65 -0.69 0.00 0.00 174.62 172.99 1cuo n PRO 75 N 3.72 2.45 -1.44 4.92 -0.02 -1.26 -1.54 135.00 141.83 1cuo n PRO 75 Ca 0.15 0.89 -0.09 0.00 -2.02 0.00 0.00 63.50 62.42 1cuo n PRO 75 Cb 0.35 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.09 1cuo n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cuo n GLY 76 N 3.87 0.87 3.61 -1.23 0.00 -1.26 -4.94 105.19 106.11 1cuo n GLY 76 Ca 0.18 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1cuo n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cuo s ASP 77 N -2.85 5.70 0.14 1.61 -1.08 -0.59 -4.82 116.67 114.79 1cuo s ASP 77 Ca 0.00 1.76 0.19 0.00 -0.52 0.00 0.00 52.55 53.98 1cuo s ASP 77 Cb 0.00 -2.52 0.82 0.00 -1.46 0.00 0.00 42.92 39.76 1cuo s ASP 77 CO 0.00 -1.79 1.60 2.29 0.52 0.00 0.00 175.17 177.79 1cuo n LYS 78 N 8.52 0.11 0.06 4.34 0.00 -1.26 -2.29 118.16 127.64 1cuo n LYS 78 Ca 0.26 0.34 0.13 0.00 -0.00 0.00 0.00 58.31 59.04 1cuo n LYS 78 Cb 0.45 -1.70 0.34 0.00 -0.00 0.00 0.00 35.03 34.13 1cuo n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1cuo n ARG 79 N -1.90 0.21 -2.96 -1.58 1.74 -1.26 -4.73 116.66 106.18 1cuo n ARG 79 Ca 0.03 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 1cuo n ARG 79 Cb 0.20 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 29.91 1cuo n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1cuo s VAL 80 N -3.10 4.77 0.03 1.55 1.01 -0.97 -4.33 120.40 119.37 1cuo s VAL 80 Ca 0.10 1.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.93 1cuo s VAL 80 Cb 0.14 -4.17 -0.27 0.00 0.00 0.00 0.00 36.38 32.08 1cuo s VAL 80 CO 0.64 -0.33 1.09 0.40 0.00 0.00 0.00 175.10 176.89 1cuo h ILE 81 N 5.67 1.35 -2.11 2.22 1.08 -1.33 -3.47 117.51 120.92 1cuo h ILE 81 Ca -0.25 -2.33 -0.07 0.00 -0.39 0.00 0.00 64.86 61.83 1cuo h ILE 81 Cb 1.10 2.69 -0.19 0.00 -3.07 0.00 0.00 36.82 37.34 1cuo h ILE 81 CO 0.89 0.70 0.14 0.00 -0.69 0.00 0.00 178.15 179.19 1cuo s ALA 82 N -3.02 -1.67 0.17 1.87 0.00 -1.24 -5.01 121.76 112.86 1cuo s ALA 82 Ca -0.11 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1cuo s ALA 82 Cb 0.05 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.17 1cuo s ALA 82 CO 0.89 -0.36 0.44 -0.59 0.00 0.00 0.00 175.76 176.14 1cuo s PHE 83 N -1.17 -0.03 0.23 0.00 -0.12 -1.26 -0.68 117.98 114.94 1cuo s PHE 83 Ca -0.11 -0.31 0.09 0.00 -0.05 0.00 0.00 56.93 56.55 1cuo s PHE 83 Cb -0.01 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1cuo s PHE 83 CO 0.09 -0.81 -0.00 0.95 -0.05 0.00 0.00 175.22 175.40 1cuo s THR 84 N -3.87 3.55 0.89 -4.49 -4.23 -0.22 -4.83 115.64 102.44 1cuo s THR 84 Ca 0.09 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 58.78 1cuo s THR 84 Cb 0.01 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 71.12 1cuo s THR 84 CO -0.05 -0.27 1.11 -2.84 -0.54 0.00 0.00 174.62 172.03 1cuo s PRO 85 N -3.38 1.23 0.29 3.99 0.02 -1.26 -4.28 135.00 131.61 1cuo s PRO 85 Ca 0.30 1.29 -0.29 0.00 0.02 0.00 0.00 61.00 62.31 1cuo s PRO 85 Cb -0.08 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 1cuo s PRO 85 CO 0.19 -2.40 1.31 0.42 -0.33 0.00 0.00 177.00 176.20 1cuo s ILE 86 N -2.74 2.85 0.05 2.83 -1.09 -1.26 -4.57 121.20 117.27 1cuo s ILE 86 Ca 0.65 0.80 0.05 0.00 -2.23 0.00 0.00 60.65 59.92 1cuo s ILE 86 Cb -0.21 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1cuo s ILE 86 CO 0.58 0.17 -0.14 0.27 -1.23 0.00 0.00 174.94 174.59 1cuo s ILE 87 N -0.74 1.06 0.55 2.92 -4.36 -0.24 -4.91 121.20 115.48 1cuo s ILE 87 Ca 0.52 -1.06 0.05 0.00 -0.26 0.00 0.00 60.65 59.89 1cuo s ILE 87 Cb -0.39 -0.98 0.05 0.00 1.25 0.00 0.00 42.46 42.38 1cuo s ILE 87 CO 0.48 -0.07 0.38 0.61 0.24 0.00 0.00 174.94 176.58 1cuo n GLY 88 N 1.75 2.81 3.58 6.27 0.00 -1.26 -1.18 105.19 117.15 1cuo n GLY 88 Ca -0.19 -2.31 -0.52 0.00 0.00 0.00 0.00 46.02 43.01 1cuo n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cuo n GLY 89 N -1.65 0.31 2.31 -0.02 0.00 0.20 -1.60 105.19 104.75 1cuo n GLY 89 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1cuo n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cuo n GLY 90 N 2.34 0.78 3.80 -0.02 0.00 -0.17 -4.91 105.19 107.02 1cuo n GLY 90 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1cuo n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cuo s GLU 91 N -0.11 2.88 0.06 1.61 2.02 -0.63 -4.98 118.70 119.56 1cuo s GLU 91 Ca 0.00 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.09 1cuo s GLU 91 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 1cuo s GLU 91 CO 0.00 0.46 -0.09 0.15 0.02 0.00 0.00 175.26 175.80 1cuo s LYS 92 N -3.30 0.64 0.26 1.61 1.02 -1.26 -1.76 119.74 116.95 1cuo s LYS 92 Ca 0.31 -0.89 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 1cuo s LYS 92 Cb -0.09 -0.41 0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1cuo s LYS 92 CO 0.24 0.07 0.45 -2.37 -0.92 0.00 0.00 175.35 172.81 1cuo n THR 93 N 1.20 0.00 -3.82 2.17 5.66 -0.10 -5.01 114.28 114.38 1cuo n THR 93 Ca -0.21 -0.96 -0.06 0.00 -3.05 0.00 0.00 64.05 59.77 1cuo n THR 93 Cb 0.55 0.72 -0.01 0.00 -1.55 0.00 0.00 70.33 70.05 1cuo n THR 93 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1cuo s SER 94 N -2.47 -0.19 -0.13 1.09 1.04 -1.26 -0.81 113.70 110.97 1cuo s SER 94 Ca 0.16 -0.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 1cuo s SER 94 Cb -0.02 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.79 1cuo s SER 94 CO 0.11 -1.22 0.37 0.54 0.98 0.00 0.00 173.24 174.02 1cuo s VAL 95 N -3.47 0.01 -0.05 5.02 0.11 -0.44 -4.85 120.40 116.72 1cuo s VAL 95 Ca 0.12 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1cuo s VAL 95 Cb -0.04 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1cuo s VAL 95 CO 0.06 -0.03 -0.24 -0.75 -3.33 0.00 0.00 175.10 170.81 1cuo s LYS 96 N 0.02 2.40 0.07 1.54 2.20 -1.26 -0.66 119.74 124.05 1cuo s LYS 96 Ca -0.02 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1cuo s LYS 96 Cb -0.03 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 1cuo s LYS 96 CO 0.01 0.36 -0.05 -0.59 -0.36 0.00 0.00 175.35 174.73 1cuo s PHE 97 N -0.15 0.69 0.03 4.03 -0.71 -0.23 -4.94 117.98 116.70 1cuo s PHE 97 Ca -0.03 -0.97 -0.27 0.00 -1.04 0.00 0.00 56.93 54.61 1cuo s PHE 97 Cb -0.13 -0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 41.19 1cuo s PHE 97 CO 0.03 -0.26 0.86 0.15 -1.34 0.00 0.00 175.22 174.66 1cuo s LYS 98 N -3.76 4.55 0.56 1.99 1.02 -1.26 -0.88 119.74 121.96 1cuo s LYS 98 Ca 0.08 1.23 0.33 0.00 0.02 0.00 0.00 55.97 57.63 1cuo s LYS 98 Cb 0.06 -3.41 1.60 0.00 -0.52 0.00 0.00 37.83 35.56 1cuo s LYS 98 CO -0.07 0.13 2.09 0.28 -0.92 0.00 0.00 175.35 176.86 1cuo h VAL 99 N 4.40 0.27 0.00 3.17 2.07 -1.64 -1.95 116.25 122.57 1cuo h VAL 99 Ca -0.42 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1cuo h VAL 99 Cb 1.21 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1cuo h VAL 99 CO 0.73 0.07 0.00 -1.54 0.02 0.00 0.00 177.57 176.85 1cuo n SER 100 N -3.33 0.66 0.09 0.57 3.41 -1.26 -1.66 113.62 112.10 1cuo n SER 100 Ca -0.01 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1cuo n SER 100 Cb 0.24 -0.81 0.45 0.00 -0.26 0.00 0.00 64.21 63.84 1cuo n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cuo n ALA 101 N -1.77 1.95 -2.89 7.33 0.00 -0.73 -4.78 120.51 119.61 1cuo n ALA 101 Ca 0.02 0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 1cuo n ALA 101 Cb 0.21 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 1cuo n ALA 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cuo s LEU 102 N -4.19 4.34 0.16 0.00 1.43 -0.66 -5.11 118.68 114.66 1cuo s LEU 102 Ca 0.08 0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.57 1cuo s LEU 102 Cb 0.11 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1cuo s LEU 102 CO 0.47 0.14 -0.18 -0.55 0.23 0.00 0.00 176.35 176.46 1cuo s SER 103 N -2.58 3.84 0.01 2.29 0.15 -1.26 -5.01 113.70 111.14 1cuo s SER 103 Ca 0.36 -0.66 0.28 0.00 0.70 0.00 0.00 55.95 56.62 1cuo s SER 103 Cb -0.13 -0.50 1.17 0.00 -1.71 0.00 0.00 66.02 64.86 1cuo s SER 103 CO 0.28 0.14 1.89 0.29 1.20 0.00 0.00 173.24 177.04 1cuo n LYS 104 N 0.42 0.02 0.00 5.44 5.02 -1.26 -3.50 118.16 124.29 1cuo n LYS 104 Ca -0.13 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1cuo n LYS 104 Cb 0.54 -1.52 0.31 0.00 -0.02 0.00 0.00 35.03 34.35 1cuo n LYS 104 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1cuo n ASP 105 N -1.55 0.56 -4.58 4.39 8.00 -1.26 -4.96 116.55 117.15 1cuo n ASP 105 Ca 0.07 -0.33 -0.24 0.00 0.71 0.00 0.00 54.79 55.00 1cuo n ASP 105 Cb 0.33 0.17 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 1cuo n ASP 105 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1cuo s GLU 106 N -2.89 2.05 -0.03 -1.24 0.41 -1.23 -5.14 118.70 110.63 1cuo s GLU 106 Ca 0.14 -1.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 1cuo s GLU 106 Cb 0.18 -1.99 -0.04 0.00 -1.78 0.00 0.00 34.13 30.51 1cuo s GLU 106 CO 0.65 0.32 0.02 0.00 -0.49 0.00 0.00 175.26 175.75 1cuo s ALA 107 N -2.42 3.34 0.12 5.21 0.00 -1.26 -4.91 121.76 121.83 1cuo s ALA 107 Ca 0.31 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1cuo s ALA 107 Cb -0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1cuo s ALA 107 CO 0.18 0.64 -0.20 0.71 0.00 0.00 0.00 175.76 177.08 1cuo s TYR 108 N -1.04 1.80 -0.01 0.00 2.02 -1.25 -1.12 117.35 117.76 1cuo s TYR 108 Ca 0.18 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 1cuo s TYR 108 Cb -0.12 -0.97 -0.00 0.00 -0.40 0.00 0.00 41.96 40.48 1cuo s TYR 108 CO 0.08 0.24 -0.06 0.99 -1.57 0.00 0.00 175.55 175.23 1cuo s THR 109 N -1.38 0.48 0.05 -0.71 2.01 -0.39 -2.55 115.64 113.14 1cuo s THR 109 Ca 0.09 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1cuo s THR 109 Cb -0.09 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1cuo s THR 109 CO 0.05 0.14 -0.06 -0.72 -0.69 0.00 0.00 174.62 173.34 1cuo s TYR 110 N -0.01 2.87 0.19 4.92 1.13 -0.49 -1.85 117.35 124.11 1cuo s TYR 110 Ca 0.01 -0.06 -0.23 0.00 -1.41 0.00 0.00 57.07 55.37 1cuo s TYR 110 Cb -0.04 -1.55 0.05 0.00 -1.10 0.00 0.00 41.96 39.33 1cuo s TYR 110 CO -0.00 0.41 0.71 -0.59 -2.51 0.00 0.00 175.55 173.57 1cuo s PHE 111 N -1.12 -0.35 -0.15 -3.49 -0.71 -0.17 -0.93 117.98 111.06 1cuo s PHE 111 Ca 0.20 0.04 -0.12 0.00 -1.04 0.00 0.00 56.93 56.01 1cuo s PHE 111 Cb -0.11 0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 42.27 1cuo s PHE 111 CO 0.12 -0.97 0.26 0.00 -1.34 0.00 0.00 175.22 173.28 1cuo n SER 113 N 3.23 3.47 -4.75 0.00 3.41 -1.26 -2.92 113.62 114.81 1cuo n SER 113 Ca -0.14 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.08 1cuo n SER 113 Cb 0.52 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.17 1cuo n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cuo n TYR 114 N 1.42 2.83 -1.69 7.33 4.19 -1.26 -4.52 117.16 125.46 1cuo n TYR 114 Ca 0.19 0.30 -0.61 0.00 3.31 0.00 0.00 57.90 61.09 1cuo n TYR 114 Cb 0.58 -2.58 -0.08 0.00 0.49 0.00 0.00 39.34 37.75 1cuo n TYR 114 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 1cuo n PRO 115 N 1.86 0.62 -0.71 2.98 -0.02 -1.26 -1.55 135.00 136.92 1cuo n PRO 115 Ca 0.08 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1cuo n PRO 115 Cb 0.37 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1cuo n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cuo n GLY 116 N 3.68 0.84 0.06 -1.23 0.00 -1.26 -4.91 105.19 102.37 1cuo n GLY 116 Ca 0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.34 1cuo n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cuo n HIS 117 N -2.05 0.29 0.04 1.61 8.25 -0.59 -4.61 115.22 118.16 1cuo n HIS 117 Ca 0.00 0.09 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 1cuo n HIS 117 Cb 0.00 -0.76 0.43 0.00 1.12 0.00 0.00 29.99 30.78 1cuo n HIS 117 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1cuo h PHE 118 N 0.00 0.43 -0.06 4.41 -0.00 -1.72 -1.13 116.94 118.88 1cuo h PHE 118 Ca -0.13 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.82 1cuo h PHE 118 Cb 1.33 -0.14 -0.00 0.00 -0.00 0.00 0.00 35.95 37.14 1cuo h PHE 118 CO 0.00 0.32 -0.03 0.66 -0.00 0.00 0.00 178.31 179.26 1cuo h SER 119 N 0.45 0.07 0.00 -0.68 4.64 -1.90 -3.26 113.55 112.88 1cuo h SER 119 Ca 0.12 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.21 1cuo h SER 119 Cb 0.03 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 1cuo h SER 119 CO -0.02 0.12 -1.82 0.23 -0.87 0.00 0.00 176.83 174.47 1cuo n MET 120 N -4.45 1.88 -3.15 4.77 2.81 -1.09 -4.84 117.12 113.05 1cuo n MET 120 Ca -0.02 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.42 1cuo n MET 120 Cb 0.14 -1.30 -0.01 0.00 -0.71 0.00 0.00 33.22 31.33 1cuo n MET 120 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1cuo s MET 121 N -2.29 3.80 0.14 0.03 -2.45 -0.45 -4.76 119.30 113.33 1cuo s MET 121 Ca -0.07 -2.43 -0.23 0.00 -1.25 0.00 0.00 55.69 51.71 1cuo s MET 121 Cb 0.04 -4.71 0.07 0.00 1.25 0.00 0.00 34.83 31.48 1cuo s MET 121 CO 0.47 -1.50 0.59 -0.98 1.05 0.00 0.00 175.02 174.65 1cuo s ARG 122 N 0.87 1.25 0.34 4.11 1.70 -1.26 -2.06 118.95 123.90 1cuo s ARG 122 Ca 0.29 -0.44 -0.13 0.00 -0.47 0.00 0.00 55.73 54.98 1cuo s ARG 122 Cb -0.07 0.57 0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1cuo s ARG 122 CO -0.07 -0.53 0.66 0.20 -1.08 0.00 0.00 175.30 174.47 1cuo s GLY 123 N -2.65 0.63 -0.03 3.88 0.00 -0.11 -4.85 107.32 104.19 1cuo s GLY 123 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.83 1cuo s GLY 123 CO -0.11 -0.50 -0.06 -1.08 0.00 0.00 0.00 173.10 171.34 1cuo s THR 124 N -2.93 3.71 -0.06 0.90 -1.32 0.30 -1.40 115.64 114.84 1cuo s THR 124 Ca 0.20 -0.63 0.05 0.00 -1.21 0.00 0.00 61.69 60.10 1cuo s THR 124 Cb -0.03 -2.57 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 1cuo s THR 124 CO 0.13 0.49 -0.23 -0.22 -2.21 0.00 0.00 174.62 172.58 1cuo s LEU 125 N -1.15 2.03 0.02 9.08 0.20 -1.06 -1.16 118.68 126.64 1cuo s LEU 125 Ca 0.15 -0.47 -0.03 0.00 0.69 0.00 0.00 54.13 54.47 1cuo s LEU 125 Cb -0.11 -1.27 -0.01 0.00 -0.43 0.00 0.00 46.19 44.37 1cuo s LEU 125 CO 0.05 0.21 0.04 -1.59 -0.29 0.00 0.00 176.35 174.77 1cuo s LYS 126 N -0.06 0.41 -0.18 1.98 0.00 -0.61 -3.81 119.74 117.47 1cuo s LYS 126 Ca -0.05 -0.59 -0.27 0.00 0.00 0.00 0.00 55.97 55.06 1cuo s LYS 126 Cb -0.14 0.16 -0.01 0.00 0.00 0.00 0.00 37.83 37.85 1cuo s LYS 126 CO 0.04 -0.09 0.91 -1.17 0.00 0.00 0.00 175.35 175.04 1cuo s LEU 127 N -1.60 4.16 -0.26 2.77 2.96 -1.26 -0.70 118.68 124.74 1cuo s LEU 127 Ca -0.13 1.26 -0.13 0.00 -0.22 0.00 0.00 54.13 54.91 1cuo s LEU 127 Cb -0.07 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1cuo s LEU 127 CO -0.01 -0.48 0.28 -1.61 -1.32 0.00 0.00 176.35 173.21 1cuo s GLU 128 N 2.45 4.02 0.00 1.98 2.02 0.11 -4.88 118.70 124.40 1cuo s GLU 128 Ca 0.41 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.29 1cuo s GLU 128 Cb -0.16 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1cuo s GLU 128 CO 0.11 -0.17 0.18 0.39 0.02 0.00 0.00 175.26 175.79