#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cvh s GLN 2 N 0.00 4.74 -0.09 9.51 -1.52 -1.26 -4.68 119.66 126.36 3cvh s GLN 2 Ca 0.00 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 54.87 3cvh s GLN 2 Cb 0.00 -3.10 0.02 0.00 -0.22 0.00 0.00 33.01 29.72 3cvh s GLN 2 CO 0.00 0.40 -0.07 0.21 -0.25 0.00 0.00 175.29 175.58 3cvh s LYS 3 N -1.52 1.31 0.11 2.91 2.20 0.19 -4.94 119.74 120.00 3cvh s LYS 3 Ca 0.45 -0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.54 3cvh s LYS 3 Cb -0.24 -1.33 -0.08 0.00 -1.51 0.00 0.00 37.83 34.67 3cvh s LYS 3 CO 0.30 -0.18 1.40 0.99 -0.36 0.00 0.00 175.35 177.50 3cvh s THR 4 N 1.39 3.29 0.43 3.43 2.01 -1.26 -2.38 115.64 122.55 3cvh s THR 4 Ca -0.02 0.91 -0.24 0.00 0.31 0.00 0.00 61.69 62.65 3cvh s THR 4 Cb -0.13 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.71 3cvh s THR 4 CO -0.04 0.06 1.18 -2.16 -0.69 0.00 0.00 174.62 172.98 3cvh s PRO 5 N 1.21 3.90 -0.03 4.92 0.04 -1.26 -4.45 135.00 139.33 3cvh s PRO 5 Ca 0.65 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.57 3cvh s PRO 5 Cb -0.37 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 3cvh s PRO 5 CO 0.30 -0.45 -0.09 -0.65 0.04 0.00 0.00 177.00 176.15 3cvh s GLN 6 N -2.47 2.58 -0.02 4.56 -1.52 -0.28 -4.97 119.66 117.53 3cvh s GLN 6 Ca 0.60 -0.67 0.06 0.00 -1.95 0.00 0.00 55.36 53.40 3cvh s GLN 6 Cb -0.31 -2.48 -0.01 0.00 -0.22 0.00 0.00 33.01 29.99 3cvh s GLN 6 CO 0.38 0.63 -0.21 0.42 -0.25 0.00 0.00 175.29 176.25 3cvh s ILE 7 N -0.86 1.71 -0.04 1.08 1.01 -1.26 -1.46 121.20 121.37 3cvh s ILE 7 Ca 0.14 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3cvh s ILE 7 Cb -0.11 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 3cvh s ILE 7 CO 0.04 0.48 -0.15 -1.10 0.00 0.00 0.00 174.94 174.21 3cvh s GLN 8 N -0.41 1.60 -0.16 2.79 -0.21 -0.69 -4.98 119.66 117.61 3cvh s GLN 8 Ca 0.06 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 54.92 3cvh s GLN 8 Cb -0.09 -1.40 0.03 0.00 1.00 0.00 0.00 33.01 32.54 3cvh s GLN 8 CO -0.00 0.20 -0.14 0.08 -2.12 0.00 0.00 175.29 173.31 3cvh s VAL 9 N 0.13 1.61 0.15 1.09 1.01 -1.26 -0.69 120.40 122.44 3cvh s VAL 9 Ca -0.05 -0.72 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 3cvh s VAL 9 Cb -0.11 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.77 3cvh s VAL 9 CO 0.02 0.40 0.52 -0.72 0.00 0.00 0.00 175.10 175.32 3cvh s TYR 10 N 1.46 -0.35 0.45 5.22 1.13 -1.12 -4.41 117.35 119.72 3cvh s TYR 10 Ca 0.04 0.08 -0.09 0.00 -1.41 0.00 0.00 57.07 55.68 3cvh s TYR 10 Cb -0.13 0.43 -0.05 0.00 -1.10 0.00 0.00 41.96 41.10 3cvh s TYR 10 CO -0.10 -0.81 0.80 -1.54 -2.51 0.00 0.00 175.55 171.38 3cvh s SER 11 N -2.79 6.42 0.04 -0.18 1.04 -1.26 -0.32 113.70 116.64 3cvh s SER 11 Ca 0.03 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.39 3cvh s SER 11 Cb -0.00 -2.31 -0.27 0.00 0.10 0.00 0.00 66.02 63.53 3cvh s SER 11 CO -0.11 -0.49 1.10 -0.09 0.98 0.00 0.00 173.24 174.63 3cvh h ARG 12 N 0.81 0.59 -6.17 4.02 2.43 -1.71 -3.47 114.38 110.89 3cvh h ARG 12 Ca -0.47 -0.74 -0.58 0.00 -0.81 0.00 0.00 59.98 57.38 3cvh h ARG 12 Cb 1.19 0.24 -0.11 0.00 -0.42 0.00 0.00 29.97 30.87 3cvh h ARG 12 CO 0.63 1.32 -0.66 -1.01 -1.51 0.00 0.00 179.97 178.74 3cvh s HIS 13 N -3.04 2.57 -0.04 2.20 3.76 -1.26 -5.06 115.29 114.41 3cvh s HIS 13 Ca -0.10 -0.29 -0.37 0.00 -0.15 0.00 0.00 55.06 54.14 3cvh s HIS 13 Cb 0.05 -1.21 -0.16 0.00 1.11 0.00 0.00 32.58 32.37 3cvh s HIS 13 CO 0.91 0.61 1.55 -2.30 -0.85 0.00 0.00 174.74 174.66 3cvh n PRO 14 N -0.85 1.35 -2.02 8.40 -0.02 -1.26 -4.82 135.00 135.78 3cvh n PRO 14 Ca -0.06 0.49 -0.26 0.00 -2.02 0.00 0.00 63.50 61.65 3cvh n PRO 14 Cb 0.60 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 3cvh n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3cvh s PRO 15 N 1.87 2.46 -0.13 0.52 0.04 -1.26 -4.97 135.00 133.53 3cvh s PRO 15 Ca 0.89 -0.46 -0.16 0.00 0.04 0.00 0.00 61.00 61.32 3cvh s PRO 15 Cb -0.94 -5.09 -0.04 0.00 0.04 0.00 0.00 34.50 28.47 3cvh s PRO 15 CO 0.53 -3.62 0.39 -2.00 0.04 0.00 0.00 177.00 172.33 3cvh s GLU 16 N 7.01 4.29 0.32 4.56 2.12 -1.26 -5.05 118.70 130.69 3cvh s GLU 16 Ca 0.71 0.28 -0.29 0.00 0.36 0.00 0.00 54.97 56.03 3cvh s GLU 16 Cb -0.06 -3.42 -0.11 0.00 0.26 0.00 0.00 34.13 30.79 3cvh s GLU 16 CO 0.03 0.21 1.56 0.09 -0.54 0.00 0.00 175.26 176.62 3cvh n ASN 17 N 3.57 3.83 -0.38 -1.70 3.02 -1.26 -2.35 115.26 119.99 3cvh n ASN 17 Ca -0.09 1.17 -0.05 0.00 -0.03 0.00 0.00 54.58 55.58 3cvh n ASN 17 Cb 0.52 -1.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.07 3cvh n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cvh n GLY 18 N 1.65 0.67 3.27 7.41 0.00 0.14 -4.99 105.19 113.35 3cvh n GLY 18 Ca 0.06 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3cvh n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cvh s LYS 19 N -1.89 3.26 0.17 1.61 2.20 -0.99 -5.01 119.74 119.09 3cvh s LYS 19 Ca 0.00 -0.71 -0.33 0.00 -0.36 0.00 0.00 55.97 54.57 3cvh s LYS 19 Cb 0.00 -2.75 -0.13 0.00 -1.51 0.00 0.00 37.83 33.44 3cvh s LYS 19 CO 0.00 -0.07 1.65 -2.30 -0.36 0.00 0.00 175.35 174.27 3cvh n PRO 20 N 4.33 2.38 -3.52 4.03 -0.02 -1.26 -4.26 135.00 136.67 3cvh n PRO 20 Ca -0.19 0.86 -0.14 0.00 -2.02 0.00 0.00 63.50 62.01 3cvh n PRO 20 Cb 0.51 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 3cvh n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3cvh n ASN 21 N 3.80 0.16 -4.24 2.55 2.85 0.14 -4.98 115.26 115.54 3cvh n ASN 21 Ca 0.17 -2.45 -0.30 0.00 -0.11 0.00 0.00 54.58 51.89 3cvh n ASN 21 Cb 0.31 0.94 -0.16 0.00 1.24 0.00 0.00 39.78 42.11 3cvh n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3cvh s ILE 22 N -2.77 1.93 -0.22 -1.44 1.09 -1.26 -0.94 121.20 117.60 3cvh s ILE 22 Ca 0.21 -1.00 -0.07 0.00 -1.10 0.00 0.00 60.65 58.70 3cvh s ILE 22 Cb 0.01 -1.64 -0.03 0.00 -1.06 0.00 0.00 42.46 39.74 3cvh s ILE 22 CO 0.15 0.54 0.05 -0.22 -0.10 0.00 0.00 174.94 175.36 3cvh s LEU 23 N -0.08 3.48 0.23 2.97 2.96 0.68 -1.65 118.68 127.26 3cvh s LEU 23 Ca -0.05 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3cvh s LEU 23 Cb -0.14 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3cvh s LEU 23 CO 0.04 0.05 0.35 0.20 -1.32 0.00 0.00 176.35 175.67 3cvh s ASN 24 N 1.10 6.32 -0.29 3.68 0.01 0.56 -1.63 114.94 124.70 3cvh s ASN 24 Ca 0.04 0.08 -0.02 0.00 -0.71 0.00 0.00 52.86 52.25 3cvh s ASN 24 Cb -0.14 -1.87 0.12 0.00 0.41 0.00 0.00 41.25 39.77 3cvh s ASN 24 CO 0.03 -0.06 0.21 0.00 -1.51 0.00 0.00 177.10 175.77 3cvh s TYR 26 N 2.23 3.16 -0.38 0.00 5.04 0.14 -1.17 117.35 126.37 3cvh s TYR 26 Ca 0.09 -0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.61 3cvh s TYR 26 Cb -0.15 -2.94 0.08 0.00 0.35 0.00 0.00 41.96 39.30 3cvh s TYR 26 CO -0.35 -0.63 0.15 0.08 -1.34 0.00 0.00 175.55 173.47 3cvh s VAL 27 N 2.32 3.42 0.49 3.14 1.01 0.11 -1.70 120.40 129.20 3cvh s VAL 27 Ca 0.16 -1.68 0.05 0.00 0.00 0.00 0.00 61.98 60.51 3cvh s VAL 27 Cb -0.16 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3cvh s VAL 27 CO 0.14 -0.46 0.27 0.42 0.00 0.00 0.00 175.10 175.47 3cvh s THR 28 N 1.24 1.81 -0.70 3.92 -4.23 -0.53 -0.52 115.64 116.63 3cvh s THR 28 Ca 0.03 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 3cvh s THR 28 Cb -0.22 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3cvh s THR 28 CO -0.02 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.73 3cvh n GLN 29 N -1.52 -0.67 -3.98 3.99 -0.06 -0.45 -1.12 117.38 113.58 3cvh n GLN 29 Ca -0.04 0.66 -0.26 0.00 -2.00 0.00 0.00 57.00 55.36 3cvh n GLN 29 Cb 0.65 -4.47 -0.03 0.00 -4.06 0.00 0.00 30.24 22.32 3cvh n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 3cvh s PHE 30 N -2.14 3.41 -0.29 3.69 -0.71 -1.08 -4.24 117.98 116.62 3cvh s PHE 30 Ca 0.00 0.08 -0.15 0.00 -1.04 0.00 0.00 56.93 55.81 3cvh s PHE 30 Cb 0.00 -1.62 0.11 0.00 -1.21 0.00 0.00 43.02 40.30 3cvh s PHE 30 CO 0.00 0.51 0.78 -1.58 -1.34 0.00 0.00 175.22 173.59 3cvh s HIS 31 N -1.77 -0.94 1.17 3.49 2.46 -1.00 -1.03 115.29 117.66 3cvh s HIS 31 Ca 0.34 1.83 -0.17 0.00 0.47 0.00 0.00 55.06 57.53 3cvh s HIS 31 Cb -0.11 0.57 0.27 0.00 -0.13 0.00 0.00 32.58 33.18 3cvh s HIS 31 CO 0.27 -0.47 1.07 -2.14 -2.47 0.00 0.00 174.74 171.01 3cvh s PRO 32 N 1.77 -0.95 0.19 2.88 0.02 -1.26 -0.63 135.00 137.01 3cvh s PRO 32 Ca -0.09 0.23 0.23 0.00 0.02 0.00 0.00 61.00 61.39 3cvh s PRO 32 Cb -0.06 -1.60 0.90 0.00 0.02 0.00 0.00 34.50 33.76 3cvh s PRO 32 CO -0.18 -3.59 1.70 -0.35 -0.33 0.00 0.00 177.00 174.25 3cvh n PRO 33 N -4.73 0.16 -2.08 5.54 -0.04 -1.26 -4.75 135.00 127.85 3cvh n PRO 33 Ca 0.09 0.32 -0.42 0.00 -0.04 0.00 0.00 63.50 63.45 3cvh n PRO 33 Cb 0.58 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 3cvh n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3cvh s HIS 34 N -3.20 2.10 -0.10 0.54 2.46 -1.26 -4.98 115.29 110.86 3cvh s HIS 34 Ca 0.07 0.37 -0.15 0.00 0.47 0.00 0.00 55.06 55.82 3cvh s HIS 34 Cb 0.11 -3.88 0.03 0.00 -0.13 0.00 0.00 32.58 28.71 3cvh s HIS 34 CO 0.42 -3.40 0.37 -1.50 -2.47 0.00 0.00 174.74 168.17 3cvh s ILE 35 N 4.27 0.02 -0.17 0.89 2.07 -1.26 -4.63 121.20 122.38 3cvh s ILE 35 Ca 0.71 -0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.78 3cvh s ILE 35 Cb -0.30 -0.59 -0.00 0.00 0.13 0.00 0.00 42.46 41.70 3cvh s ILE 35 CO 0.28 -0.09 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.39 3cvh s GLU 36 N -0.37 3.24 -0.17 3.50 2.12 -0.93 -5.01 118.70 121.09 3cvh s GLU 36 Ca -0.05 -0.72 -0.02 0.00 0.36 0.00 0.00 54.97 54.54 3cvh s GLU 36 Cb -0.03 -2.72 -0.01 0.00 0.26 0.00 0.00 34.13 31.62 3cvh s GLU 36 CO 0.02 -0.06 -0.08 0.42 -0.54 0.00 0.00 175.26 175.03 3cvh s ILE 37 N 1.03 3.34 0.16 -3.70 1.09 -1.26 -0.83 121.20 121.03 3cvh s ILE 37 Ca -0.01 -0.53 0.09 0.00 -1.10 0.00 0.00 60.65 59.10 3cvh s ILE 37 Cb -0.15 -2.46 -0.04 0.00 -1.06 0.00 0.00 42.46 38.75 3cvh s ILE 37 CO -0.03 0.48 -0.14 -1.10 -0.10 0.00 0.00 174.94 174.06 3cvh s GLN 38 N 0.79 1.93 -0.08 2.79 -0.21 0.39 -5.00 119.66 120.27 3cvh s GLN 38 Ca -0.03 -1.26 0.02 0.00 0.02 0.00 0.00 55.36 54.11 3cvh s GLN 38 Cb -0.15 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.76 3cvh s GLN 38 CO 0.01 0.45 -0.12 -1.64 -2.12 0.00 0.00 175.29 171.87 3cvh s MET 39 N -2.58 1.78 0.00 2.91 -1.94 -1.26 -1.19 119.30 117.02 3cvh s MET 39 Ca 0.22 -0.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.82 3cvh s MET 39 Cb -0.09 -1.50 -0.03 0.00 2.01 0.00 0.00 34.83 35.21 3cvh s MET 39 CO 0.13 -0.01 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.52 3cvh s LEU 40 N 0.80 2.98 -0.20 -0.03 1.43 -0.23 -0.19 118.68 123.24 3cvh s LEU 40 Ca -0.12 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3cvh s LEU 40 Cb -0.15 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.37 3cvh s LEU 40 CO 0.02 0.29 -0.13 -0.75 0.23 0.00 0.00 176.35 176.01 3cvh s LYS 41 N -1.29 3.12 -1.52 1.70 2.20 0.12 -1.78 119.74 122.29 3cvh s LYS 41 Ca 0.15 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 54.86 3cvh s LYS 41 Cb -0.11 -2.78 0.10 0.00 -1.51 0.00 0.00 37.83 33.53 3cvh s LYS 41 CO 0.06 -0.22 0.81 0.09 -0.36 0.00 0.00 175.35 175.72 3cvh n ASN 42 N 4.69 -4.27 0.00 1.43 3.02 0.37 -1.42 115.26 119.08 3cvh n ASN 42 Ca -0.19 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3cvh n ASN 42 Cb 0.50 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.21 3cvh n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cvh n GLY 43 N -1.49 0.79 3.47 7.41 0.00 -1.26 -5.01 105.19 109.10 3cvh n GLY 43 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3cvh n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cvh s LYS 44 N -0.11 3.66 -0.03 1.61 2.36 -0.51 -5.00 119.74 121.72 3cvh s LYS 44 Ca 0.00 -0.50 -0.34 0.00 -2.55 0.00 0.00 55.97 52.58 3cvh s LYS 44 Cb 0.00 -3.09 -0.12 0.00 -1.05 0.00 0.00 37.83 33.56 3cvh s LYS 44 CO 0.00 0.04 1.82 1.17 1.55 0.00 0.00 175.35 179.93 3cvh n LYS 45 N 4.16 2.19 -2.60 4.03 4.81 -1.26 0.15 118.16 129.64 3cvh n LYS 45 Ca -0.17 0.80 -0.43 0.00 -0.87 0.00 0.00 58.31 57.64 3cvh n LYS 45 Cb 0.52 -2.63 -0.02 0.00 0.02 0.00 0.00 35.03 32.92 3cvh n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3cvh s ILE 46 N 3.40 4.38 0.57 3.15 1.01 0.73 -4.87 121.20 129.56 3cvh s ILE 46 Ca 0.90 1.54 -0.17 0.00 0.00 0.00 0.00 60.65 62.92 3cvh s ILE 46 Cb -0.68 -4.43 -0.05 0.00 0.01 0.00 0.00 42.46 37.31 3cvh s ILE 46 CO 0.48 -0.62 1.06 -2.16 0.00 0.00 0.00 174.94 173.70 3cvh s PRO 47 N 3.94 3.41 -0.50 2.79 0.04 -1.26 -4.28 135.00 139.14 3cvh s PRO 47 Ca 0.48 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 3cvh s PRO 47 Cb -0.11 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3cvh s PRO 47 CO 0.21 -0.74 0.42 1.63 0.04 0.00 0.00 177.00 178.56 3cvh n LYS 48 N -1.82 -1.79 -3.47 4.56 5.02 -1.26 -5.03 118.16 114.37 3cvh n LYS 48 Ca 0.09 0.38 -0.39 0.00 -2.02 0.00 0.00 58.31 56.38 3cvh n LYS 48 Cb 0.53 -3.66 -0.10 0.00 -0.02 0.00 0.00 35.03 31.77 3cvh n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cvh s VAL 49 N -3.17 5.23 0.59 -0.18 1.01 -1.26 -4.85 120.40 117.76 3cvh s VAL 49 Ca 0.12 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 3cvh s VAL 49 Cb -0.02 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3cvh s VAL 49 CO 0.33 0.18 1.12 -1.61 0.00 0.00 0.00 175.10 175.12 3cvh s GLU 50 N 1.94 3.15 -0.08 2.72 0.41 0.17 -4.86 118.70 122.16 3cvh s GLU 50 Ca 0.12 1.52 0.01 0.00 -0.41 0.00 0.00 54.97 56.21 3cvh s GLU 50 Cb -0.16 -1.99 0.02 0.00 -1.78 0.00 0.00 34.13 30.22 3cvh s GLU 50 CO 0.10 -0.99 -0.10 -1.64 -0.49 0.00 0.00 175.26 172.15 3cvh s MET 51 N -3.60 1.55 1.11 1.61 -1.94 -1.26 -1.74 119.30 115.04 3cvh s MET 51 Ca 0.70 -0.32 -0.13 0.00 -1.71 0.00 0.00 55.69 54.24 3cvh s MET 51 Cb -0.22 -1.43 0.26 0.00 2.01 0.00 0.00 34.83 35.44 3cvh s MET 51 CO 0.32 -0.11 1.05 -1.54 -0.01 0.00 0.00 175.02 174.74 3cvh s SER 52 N 1.13 1.49 0.66 3.03 1.04 -0.60 -5.01 113.70 115.44 3cvh s SER 52 Ca -0.06 1.35 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 3cvh s SER 52 Cb -0.14 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.88 3cvh s SER 52 CO -0.02 -3.86 1.13 -1.81 0.98 0.00 0.00 173.24 169.66 3cvh s ASP 53 N -2.89 5.00 0.22 7.02 1.01 -1.26 -4.78 116.67 121.00 3cvh s ASP 53 Ca 0.67 2.09 -0.17 0.00 0.71 0.00 0.00 52.55 55.85 3cvh s ASP 53 Cb -0.23 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.06 3cvh s ASP 53 CO 0.62 -1.71 0.67 -0.32 0.21 0.00 0.00 175.17 174.64 3cvh s MET 54 N -3.97 4.11 0.28 8.23 -2.45 -1.26 -4.71 119.30 119.52 3cvh s MET 54 Ca 0.69 0.70 0.02 0.00 -1.25 0.00 0.00 55.69 55.85 3cvh s MET 54 Cb -0.22 -2.80 -0.04 0.00 1.25 0.00 0.00 34.83 33.02 3cvh s MET 54 CO 0.41 0.37 0.14 -1.12 1.05 0.00 0.00 175.02 175.87 3cvh s SER 55 N -1.82 1.24 0.06 1.11 0.01 -0.84 -5.01 113.70 108.45 3cvh s SER 55 Ca 0.44 -1.49 -0.02 0.00 1.31 0.00 0.00 55.95 56.19 3cvh s SER 55 Cb -0.15 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 3cvh s SER 55 CO 0.20 -0.85 -0.00 0.72 0.41 0.00 0.00 173.24 173.72 3cvh s PHE 56 N -3.72 0.49 0.30 2.43 -0.71 -1.26 -0.31 117.98 115.20 3cvh s PHE 56 Ca 0.37 -1.03 0.02 0.00 -1.04 0.00 0.00 56.93 55.26 3cvh s PHE 56 Cb 0.06 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.53 3cvh s PHE 56 CO 0.16 -0.40 0.20 -1.13 -1.34 0.00 0.00 175.22 172.71 3cvh n SER 57 N 0.09 2.08 0.24 1.98 3.41 -0.16 -4.95 113.62 116.31 3cvh n SER 57 Ca -0.14 -2.08 0.16 0.00 -0.26 0.00 0.00 58.87 56.55 3cvh n SER 57 Cb 0.61 0.01 0.87 0.00 -0.26 0.00 0.00 64.21 65.44 3cvh n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3cvh h LYS 58 N 0.00 0.00 -0.70 4.33 1.57 -2.03 0.11 116.57 119.85 3cvh h LYS 58 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3cvh h LYS 58 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 3cvh h LYS 58 CO 0.32 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.80 3cvh n ASP 59 N -2.63 4.38 0.00 0.86 5.75 -1.26 -4.96 116.55 118.69 3cvh n ASP 59 Ca -0.02 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 3cvh n ASP 59 Cb 0.05 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 3cvh n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3cvh n TRP 60 N 1.39 0.00 -2.52 2.11 5.03 0.39 -5.02 117.44 118.82 3cvh n TRP 60 Ca 0.25 0.00 -0.35 0.00 3.03 0.00 0.00 57.50 60.43 3cvh n TRP 60 Cb 0.76 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 31.01 3cvh n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 3cvh s SER 61 N -3.28 6.42 0.23 -0.99 1.04 -1.26 -4.65 113.70 111.21 3cvh s SER 61 Ca 0.00 1.98 -0.07 0.00 0.48 0.00 0.00 55.95 58.34 3cvh s SER 61 Cb 0.00 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 3cvh s SER 61 CO 0.00 -0.73 0.52 -0.36 0.98 0.00 0.00 173.24 173.65 3cvh s PHE 62 N -1.87 3.45 -0.02 5.02 0.40 -0.20 -0.99 117.98 123.78 3cvh s PHE 62 Ca 0.65 0.74 -0.05 0.00 -0.60 0.00 0.00 56.93 57.66 3cvh s PHE 62 Cb -0.19 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.19 3cvh s PHE 62 CO 0.23 0.27 0.12 1.52 0.70 0.00 0.00 175.22 178.06 3cvh s TYR 63 N -1.87 -0.02 -0.12 0.36 -0.85 0.57 -1.34 117.35 114.08 3cvh s TYR 63 Ca 0.45 0.06 -0.20 0.00 -0.52 0.00 0.00 57.07 56.86 3cvh s TYR 63 Cb -0.11 -0.02 0.05 0.00 0.38 0.00 0.00 41.96 42.26 3cvh s TYR 63 CO 0.25 -0.17 0.51 -1.50 -1.52 0.00 0.00 175.55 173.11 3cvh s ILE 64 N -0.68 0.01 -0.25 -3.49 2.07 0.32 -1.98 121.20 117.21 3cvh s ILE 64 Ca -0.08 -0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.03 3cvh s ILE 64 Cb -0.05 -0.76 0.02 0.00 0.13 0.00 0.00 42.46 41.80 3cvh s ILE 64 CO 0.01 -0.06 -0.05 -0.22 -1.91 0.00 0.00 174.94 172.70 3cvh s LEU 65 N -0.44 3.21 -0.01 8.50 2.96 -1.26 0.08 118.68 131.74 3cvh s LEU 65 Ca -0.06 -0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 53.00 3cvh s LEU 65 Cb -0.03 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3cvh s LEU 65 CO 0.04 -0.12 0.20 0.00 -1.32 0.00 0.00 176.35 175.14 3cvh s ALA 66 N 1.35 3.93 0.10 5.97 0.00 -0.32 -1.56 121.76 131.24 3cvh s ALA 66 Ca 0.01 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 3cvh s ALA 66 Cb -0.16 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.06 3cvh s ALA 66 CO -0.04 0.73 0.37 -3.38 0.00 0.00 0.00 175.76 173.44 3cvh s HIS 67 N -1.32 -0.16 -0.05 0.00 -3.43 -0.71 0.37 115.29 109.99 3cvh s HIS 67 Ca 0.27 -0.11 -0.16 0.00 -0.80 0.00 0.00 55.06 54.26 3cvh s HIS 67 Cb -0.13 0.20 0.03 0.00 -1.43 0.00 0.00 32.58 31.26 3cvh s HIS 67 CO 0.18 -0.65 0.36 -0.08 -2.00 0.00 0.00 174.74 172.55 3cvh s THR 68 N -3.52 0.04 0.24 -5.38 -1.32 -0.64 -0.65 115.64 104.40 3cvh s THR 68 Ca 0.01 -0.32 -0.31 0.00 -1.21 0.00 0.00 61.69 59.86 3cvh s THR 68 Cb 0.02 -0.63 -0.12 0.00 -1.51 0.00 0.00 72.50 70.26 3cvh s THR 68 CO -0.10 -0.17 1.68 -0.62 -2.21 0.00 0.00 174.62 173.20 3cvh n GLU 69 N 1.64 2.74 -3.79 7.08 1.02 -1.26 -0.23 120.64 127.84 3cvh n GLU 69 Ca -0.19 0.98 -0.13 0.00 -0.02 0.00 0.00 57.16 57.80 3cvh n GLU 69 Cb 0.56 -2.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.08 3cvh n GLU 69 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3cvh s PHE 70 N 0.76 -0.20 -0.40 -0.32 -0.71 -0.12 -4.85 117.98 112.15 3cvh s PHE 70 Ca 0.71 0.41 -0.04 0.00 -1.04 0.00 0.00 56.93 56.97 3cvh s PHE 70 Cb -0.51 0.07 0.10 0.00 -1.21 0.00 0.00 43.02 41.48 3cvh s PHE 70 CO 0.38 -0.27 0.20 0.99 -1.34 0.00 0.00 175.22 175.18 3cvh s THR 71 N -0.71 3.50 0.36 -4.49 2.01 -1.26 0.26 115.64 115.31 3cvh s THR 71 Ca -0.08 -1.85 -0.27 0.00 0.31 0.00 0.00 61.69 59.80 3cvh s THR 71 Cb -0.04 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 3cvh s THR 71 CO 0.02 -0.60 1.26 -2.16 -0.69 0.00 0.00 174.62 172.45 3cvh s PRO 72 N 1.22 4.19 0.50 4.92 0.04 -1.26 -4.76 135.00 139.85 3cvh s PRO 72 Ca 0.06 2.09 0.02 0.00 0.04 0.00 0.00 61.00 63.21 3cvh s PRO 72 Cb -0.23 -2.90 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 3cvh s PRO 72 CO -0.03 -0.28 0.00 0.95 0.04 0.00 0.00 177.00 177.69 3cvh s THR 73 N -1.23 1.21 0.49 1.26 -4.23 -1.26 0.28 115.64 112.15 3cvh s THR 73 Ca 0.53 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 3cvh s THR 73 Cb -0.37 -2.22 0.26 0.00 1.34 0.00 0.00 72.50 71.51 3cvh s THR 73 CO 0.48 0.00 2.11 -0.08 -0.54 0.00 0.00 174.62 176.59 3cvh h GLU 74 N 1.39 0.12 0.00 3.99 4.81 -1.96 -3.37 114.58 119.56 3cvh h GLU 74 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3cvh h GLU 74 Cb 1.31 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3cvh h GLU 74 CO 0.74 0.10 0.00 -2.37 -0.73 0.00 0.00 179.01 176.76 3cvh n THR 75 N -4.50 0.00 -2.53 0.32 5.66 -1.26 -5.05 114.28 106.91 3cvh n THR 75 Ca -0.02 -0.24 -0.33 0.00 -3.05 0.00 0.00 64.05 60.42 3cvh n THR 75 Cb 0.10 1.45 -0.04 0.00 -1.55 0.00 0.00 70.33 70.29 3cvh n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3cvh s ASP 76 N -0.07 6.61 -0.09 1.09 1.01 -1.26 -5.07 116.67 118.89 3cvh s ASP 76 Ca 0.00 1.69 -0.02 0.00 0.71 0.00 0.00 52.55 54.93 3cvh s ASP 76 Cb 0.00 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 3cvh s ASP 76 CO 0.00 -0.59 0.01 -0.89 0.21 0.00 0.00 175.17 173.90 3cvh s THR 77 N -2.36 4.35 -0.03 -1.27 2.01 -1.26 -4.87 115.64 112.22 3cvh s THR 77 Ca 0.62 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3cvh s THR 77 Cb -0.11 -2.83 0.03 0.00 0.01 0.00 0.00 72.50 69.59 3cvh s THR 77 CO 0.24 0.60 0.01 -0.31 -0.69 0.00 0.00 174.62 174.47 3cvh s TYR 78 N -0.86 0.24 0.11 4.92 1.51 -1.26 -0.48 117.35 121.53 3cvh s TYR 78 Ca 0.13 0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.25 3cvh s TYR 78 Cb -0.11 -0.35 -0.04 0.00 -0.11 0.00 0.00 41.96 41.35 3cvh s TYR 78 CO 0.02 -0.11 -0.09 0.00 -1.11 0.00 0.00 175.55 174.26 3cvh s ALA 79 N 0.96 1.18 -0.11 3.71 0.00 -0.74 0.18 121.76 126.94 3cvh s ALA 79 Ca -0.09 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.56 3cvh s ALA 79 Cb -0.13 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3cvh s ALA 79 CO -0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 175.76 175.43 3cvh s ARG 81 N 0.36 3.27 -0.12 0.00 3.52 -0.33 -1.32 118.95 124.33 3cvh s ARG 81 Ca -0.16 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.75 3cvh s ARG 81 Cb -0.17 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 3cvh s ARG 81 CO 0.07 -0.06 -0.14 0.08 -0.81 0.00 0.00 175.30 174.44 3cvh s VAL 82 N 1.06 3.01 -0.15 7.11 1.01 0.13 -0.46 120.40 132.10 3cvh s VAL 82 Ca -0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 3cvh s VAL 82 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3cvh s VAL 82 CO -0.02 0.53 -0.01 -0.54 0.00 0.00 0.00 175.10 175.05 3cvh s LYS 83 N 0.26 3.63 -0.15 2.72 1.02 -0.01 -1.14 119.74 126.07 3cvh s LYS 83 Ca -0.10 -0.47 -0.24 0.00 0.02 0.00 0.00 55.97 55.19 3cvh s LYS 83 Cb -0.16 -2.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.26 3cvh s LYS 83 CO 0.05 0.32 0.60 -1.58 -0.92 0.00 0.00 175.35 173.82 3cvh s HIS 84 N 0.17 -0.62 0.47 3.18 2.46 -1.26 -2.18 115.29 117.51 3cvh s HIS 84 Ca -0.00 1.34 0.19 0.00 0.47 0.00 0.00 55.06 57.06 3cvh s HIS 84 Cb -0.13 0.27 1.22 0.00 -0.13 0.00 0.00 32.58 33.81 3cvh s HIS 84 CO 0.02 -0.42 2.06 -0.44 -2.47 0.00 0.00 174.74 173.49 3cvh h ASP 85 N 4.38 0.00 0.47 9.88 3.32 -1.95 -1.68 116.42 130.85 3cvh h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3cvh h ASP 85 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3cvh h ASP 85 CO 0.23 0.13 0.00 0.77 -1.72 0.00 0.00 179.24 178.64 3cvh h SER 86 N 0.00 0.00 -3.66 6.45 4.64 -1.88 -3.43 113.55 115.66 3cvh h SER 86 Ca -0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 3cvh h SER 86 Cb 0.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.16 3cvh h SER 86 CO 0.02 0.00 -0.72 -0.04 -0.87 0.00 0.00 176.83 175.22 3cvh s MET 87 N -3.51 2.47 0.04 4.77 -1.94 -0.63 -4.87 119.30 115.63 3cvh s MET 87 Ca 0.01 -0.77 -0.22 0.00 -1.71 0.00 0.00 55.69 53.01 3cvh s MET 87 Cb 0.09 -2.45 -0.15 0.00 2.01 0.00 0.00 34.83 34.33 3cvh s MET 87 CO 0.35 0.59 1.39 0.00 -0.01 0.00 0.00 175.02 177.34 3cvh h ALA 88 N 4.50 0.17 -1.95 3.03 0.00 -1.84 -3.45 119.26 119.72 3cvh h ALA 88 Ca -0.48 -0.26 -0.49 0.00 0.00 0.00 0.00 54.91 53.68 3cvh h ALA 88 Cb 1.17 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 3cvh h ALA 88 CO 0.53 -0.04 -0.60 -1.83 0.00 0.00 0.00 179.25 177.31 3cvh s GLU 89 N -4.55 1.69 0.74 0.00 -1.05 -1.26 -5.11 118.70 109.17 3cvh s GLU 89 Ca -0.14 -1.96 -0.14 0.00 -0.15 0.00 0.00 54.97 52.58 3cvh s GLU 89 Cb 0.05 -0.85 0.05 0.00 -0.44 0.00 0.00 34.13 32.93 3cvh s GLU 89 CO 0.72 -0.22 1.17 -2.14 0.95 0.00 0.00 175.26 175.74 3cvh s PRO 90 N -3.87 2.14 -0.09 -4.83 0.02 -1.26 -4.86 135.00 122.25 3cvh s PRO 90 Ca 0.34 1.62 -0.02 0.00 0.02 0.00 0.00 61.00 62.96 3cvh s PRO 90 Cb 0.08 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 3cvh s PRO 90 CO 0.15 -1.80 0.01 0.21 -0.33 0.00 0.00 177.00 175.24 3cvh s LYS 91 N -4.10 3.06 -0.02 5.54 2.20 -0.29 -4.92 119.74 121.21 3cvh s LYS 91 Ca 0.71 -0.40 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3cvh s LYS 91 Cb -0.26 -2.82 -0.01 0.00 -1.51 0.00 0.00 37.83 33.23 3cvh s LYS 91 CO 0.47 0.67 -0.13 0.99 -0.36 0.00 0.00 175.35 176.99 3cvh s THR 92 N -0.79 1.02 -0.07 3.43 2.01 -1.26 0.21 115.64 120.18 3cvh s THR 92 Ca 0.12 -0.53 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3cvh s THR 92 Cb -0.11 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.56 3cvh s THR 92 CO 0.02 0.29 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.53 3cvh s VAL 93 N -0.16 0.54 0.38 3.82 1.01 -0.43 -4.98 120.40 120.58 3cvh s VAL 93 Ca 0.02 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 3cvh s VAL 93 Cb -0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 3cvh s VAL 93 CO -0.00 0.27 0.89 -0.31 0.00 0.00 0.00 175.10 175.96 3cvh s TYR 94 N 1.69 3.38 0.00 5.22 1.51 -1.26 -1.50 117.35 126.40 3cvh s TYR 94 Ca 0.02 1.54 -0.30 0.00 -1.01 0.00 0.00 57.07 57.31 3cvh s TYR 94 Cb -0.13 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 3cvh s TYR 94 CO -0.05 -0.01 1.36 -0.46 -1.11 0.00 0.00 175.55 175.29 3cvh s TRP 95 N -2.04 2.96 -0.33 2.71 -0.00 0.47 -4.87 118.94 117.84 3cvh s TRP 95 Ca 0.58 0.91 -0.01 0.00 -0.00 0.00 0.00 56.10 57.58 3cvh s TRP 95 Cb -0.11 -3.62 0.07 0.00 -0.00 0.00 0.00 33.47 29.82 3cvh s TRP 95 CO 0.16 -2.21 0.05 0.34 -0.00 0.00 0.00 176.95 175.29 3cvh s ASP 96 N 1.72 4.93 0.45 5.86 -1.08 -1.26 -4.77 116.67 122.52 3cvh s ASP 96 Ca 0.62 -1.62 0.16 0.00 -0.52 0.00 0.00 52.55 51.19 3cvh s ASP 96 Cb -0.31 -1.72 0.85 0.00 -1.46 0.00 0.00 42.92 40.29 3cvh s ASP 96 CO 0.26 -0.35 1.40 0.08 0.52 0.00 0.00 175.17 177.08 3cvh h ARG 97 N 7.94 0.00 0.00 4.34 0.11 -1.95 0.26 114.38 125.08 3cvh h ARG 97 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 3cvh h ARG 97 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 3cvh h ARG 97 CO 0.57 0.00 -1.12 -0.25 0.10 0.00 0.00 179.97 179.27 3cvh n ASP 98 N -2.29 0.92 -0.93 0.08 8.00 -1.26 -4.86 116.55 116.20 3cvh n ASP 98 Ca -0.01 -0.56 0.12 0.00 0.71 0.00 0.00 54.79 55.04 3cvh n ASP 98 Cb 0.43 1.28 0.10 0.00 -0.02 0.00 0.00 41.12 42.90 3cvh n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04