#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ldp s GLN 2 N 0.00 2.95 -0.10 0.38 -0.21 -1.26 -4.39 119.66 117.03 1ldp s GLN 2 Ca 0.00 -0.46 0.03 0.00 0.02 0.00 0.00 55.36 54.95 1ldp s GLN 2 Cb 0.00 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.29 1ldp s GLN 2 CO 0.00 0.66 -0.20 0.15 -2.12 0.00 0.00 175.29 173.78 1ldp s LYS 3 N -0.78 2.65 0.19 2.91 1.02 -0.70 -4.97 119.74 120.07 1ldp s LYS 3 Ca 0.12 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 1ldp s LYS 3 Cb -0.11 -2.07 -0.08 0.00 -0.52 0.00 0.00 37.83 35.05 1ldp s LYS 3 CO 0.02 0.09 1.00 0.99 -0.92 0.00 0.00 175.35 176.53 1ldp s THR 4 N 0.55 4.07 -0.18 2.17 2.01 -1.23 -1.69 115.64 121.35 1ldp s THR 4 Ca -0.15 1.91 -0.32 0.00 0.31 0.00 0.00 61.69 63.43 1ldp s THR 4 Cb -0.17 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 1ldp s THR 4 CO 0.05 0.38 2.06 -2.65 -0.69 0.00 0.00 174.62 173.78 1ldp n PRO 5 N 2.02 1.92 -3.17 4.92 -0.02 -1.26 -4.33 135.00 135.07 1ldp n PRO 5 Ca 0.00 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.71 1ldp n PRO 5 Cb 0.47 -2.81 -0.07 0.00 -0.02 0.00 0.00 33.50 31.07 1ldp n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ldp s GLN 6 N 5.29 4.03 -0.19 -0.52 -0.21 0.52 -4.88 119.66 123.71 1ldp s GLN 6 Ca 0.99 0.37 -0.11 0.00 0.02 0.00 0.00 55.36 56.62 1ldp s GLN 6 Cb -0.60 -3.67 -0.05 0.00 1.00 0.00 0.00 33.01 29.69 1ldp s GLN 6 CO 0.45 -0.42 0.18 0.42 -2.12 0.00 0.00 175.29 173.81 1ldp s ILE 7 N 2.43 5.37 0.02 1.08 1.01 -1.26 -1.53 121.20 128.32 1ldp s ILE 7 Ca 0.23 0.31 0.07 0.00 0.00 0.00 0.00 60.65 61.26 1ldp s ILE 7 Cb -0.15 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1ldp s ILE 7 CO 0.10 0.42 -0.21 -1.10 0.00 0.00 0.00 174.94 174.15 1ldp s GLN 8 N 0.41 1.52 0.06 2.79 -0.21 -0.47 -5.04 119.66 118.72 1ldp s GLN 8 Ca 0.11 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.68 1ldp s GLN 8 Cb -0.12 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.31 1ldp s GLN 8 CO -0.00 0.41 -0.12 0.08 -2.12 0.00 0.00 175.29 173.54 1ldp s VAL 9 N -0.66 0.94 0.00 1.09 1.01 -1.26 -2.17 120.40 119.34 1ldp s VAL 9 Ca 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1ldp s VAL 9 Cb -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1ldp s VAL 9 CO 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 175.10 174.84 1ldp n TYR 10 N 1.34 0.00 -2.10 5.22 4.11 -1.24 -4.93 117.16 119.57 1ldp n TYR 10 Ca -0.22 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.40 1ldp n TYR 10 Cb 0.54 0.00 0.14 0.00 -0.00 0.00 0.00 39.34 40.03 1ldp n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1ldp s SER 11 N 0.00 3.76 0.00 9.48 1.04 -1.26 -1.33 113.70 125.38 1ldp s SER 11 Ca 0.00 0.23 0.23 0.00 0.48 0.00 0.00 55.95 56.89 1ldp s SER 11 Cb 0.00 -0.47 0.16 0.00 0.10 0.00 0.00 66.02 65.81 1ldp s SER 11 CO 0.00 -2.31 1.17 -1.14 0.98 0.00 0.00 173.24 171.95 1ldp n ARG 12 N -3.41 0.01 -3.77 4.02 0.63 -1.12 -4.83 116.66 108.19 1ldp n ARG 12 Ca 0.13 -0.01 -0.09 0.00 -0.92 0.00 0.00 57.85 56.96 1ldp n ARG 12 Cb 0.60 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.97 1ldp n ARG 12 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1ldp s HIS 13 N -2.99 -0.09 0.19 -0.14 3.76 -1.26 -5.04 115.29 109.71 1ldp s HIS 13 Ca 0.10 -0.27 -0.32 0.00 -0.15 0.00 0.00 55.06 54.42 1ldp s HIS 13 Cb 0.17 0.42 -0.11 0.00 1.11 0.00 0.00 32.58 34.17 1ldp s HIS 13 CO 0.78 -0.97 1.70 -2.14 -0.85 0.00 0.00 174.74 173.26 1ldp s PRO 14 N -3.89 4.14 0.00 8.40 0.02 -1.26 -4.93 135.00 137.48 1ldp s PRO 14 Ca 0.11 2.56 -0.25 0.00 0.02 0.00 0.00 61.00 63.44 1ldp s PRO 14 Cb -0.02 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1ldp s PRO 14 CO -0.00 -0.73 0.76 -2.14 -0.33 0.00 0.00 177.00 174.56 1ldp s PRO 15 N 1.26 4.48 -0.38 5.54 0.02 -1.26 -5.03 135.00 139.63 1ldp s PRO 15 Ca 0.74 1.03 0.01 0.00 0.02 0.00 0.00 61.00 62.80 1ldp s PRO 15 Cb -0.48 -3.40 0.12 0.00 0.02 0.00 0.00 34.50 30.76 1ldp s PRO 15 CO 0.32 0.18 0.18 -2.00 -0.33 0.00 0.00 177.00 175.35 1ldp s GLU 16 N 0.32 0.96 -0.09 5.54 2.12 -1.26 -5.07 118.70 121.21 1ldp s GLU 16 Ca 0.39 -1.55 -0.08 0.00 0.36 0.00 0.00 54.97 54.09 1ldp s GLU 16 Cb -0.20 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 1ldp s GLU 16 CO 0.22 -1.10 0.34 0.09 -0.54 0.00 0.00 175.26 174.27 1ldp n ASN 17 N 4.12 0.18 0.00 -1.70 3.02 -1.26 -3.02 115.26 116.60 1ldp n ASN 17 Ca 0.05 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1ldp n ASN 17 Cb 0.38 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1ldp n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ldp n GLY 18 N 1.06 3.27 3.66 7.41 0.00 -1.15 -4.98 105.19 114.45 1ldp n GLY 18 Ca 0.08 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1ldp n GLY 18 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ldp n LYS 19 N 0.00 2.78 -1.50 1.61 5.02 -1.17 -4.87 118.16 120.03 1ldp n LYS 19 Ca 0.00 1.01 -0.42 0.00 -2.02 0.00 0.00 58.31 56.88 1ldp n LYS 19 Cb 0.00 -3.00 -0.08 0.00 -0.02 0.00 0.00 35.03 31.93 1ldp n LYS 19 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ldp n PRO 20 N 7.54 0.74 -3.86 1.97 -0.02 -1.26 -4.76 135.00 135.35 1ldp n PRO 20 Ca 0.21 0.09 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 1ldp n PRO 20 Cb 0.40 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1ldp n PRO 20 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ldp s ASN 21 N 9.66 4.69 -0.43 2.55 3.84 -1.15 -5.05 114.94 129.05 1ldp s ASN 21 Ca 1.13 -1.09 -0.01 0.00 0.21 0.00 0.00 52.86 53.10 1ldp s ASN 21 Cb -0.73 -0.00 0.12 0.00 -0.55 0.00 0.00 41.25 40.09 1ldp s ASN 21 CO 0.41 -0.88 0.21 -0.63 -2.79 0.00 0.00 177.10 173.41 1ldp s ILE 22 N -2.67 3.09 -0.41 -5.21 1.01 -1.26 -3.07 121.20 112.69 1ldp s ILE 22 Ca 0.39 -2.32 -0.27 0.00 0.00 0.00 0.00 60.65 58.45 1ldp s ILE 22 Cb -0.01 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1ldp s ILE 22 CO 0.23 -0.71 0.99 -0.22 0.00 0.00 0.00 174.94 175.24 1ldp s LEU 23 N 0.84 3.90 0.76 2.97 2.96 -0.78 -2.80 118.68 126.54 1ldp s LEU 23 Ca 0.11 0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1ldp s LEU 23 Cb -0.22 -3.35 0.14 0.00 0.50 0.00 0.00 46.19 43.27 1ldp s LEU 23 CO -0.05 -1.00 1.05 0.20 -1.32 0.00 0.00 176.35 175.24 1ldp s ASN 24 N 2.07 4.12 -0.50 3.68 0.01 -0.44 -2.02 114.94 121.86 1ldp s ASN 24 Ca 0.41 -0.33 0.06 0.00 -0.71 0.00 0.00 52.86 52.30 1ldp s ASN 24 Cb -0.10 0.03 0.21 0.00 0.41 0.00 0.00 41.25 41.80 1ldp s ASN 24 CO 0.23 -2.03 0.80 0.00 -1.51 0.00 0.00 177.10 174.60 1ldp s TYR 26 N 0.80 3.30 0.35 0.00 5.04 -0.92 -3.54 117.35 122.38 1ldp s TYR 26 Ca 0.31 1.20 0.08 0.00 -2.44 0.00 0.00 57.07 56.22 1ldp s TYR 26 Cb 0.10 -3.57 -0.04 0.00 0.35 0.00 0.00 41.96 38.79 1ldp s TYR 26 CO -0.13 -1.81 0.14 0.08 -1.34 0.00 0.00 175.55 172.48 1ldp s VAL 27 N 0.42 2.88 -0.28 3.14 1.01 -0.92 -1.37 120.40 125.28 1ldp s VAL 27 Ca 0.58 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 1ldp s VAL 27 Cb -0.35 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.19 1ldp s VAL 27 CO 0.35 -0.16 0.99 -0.89 0.00 0.00 0.00 175.10 175.40 1ldp s THR 28 N -2.46 0.00 -0.09 3.92 2.01 -0.58 -4.18 115.64 114.26 1ldp s THR 28 Ca 0.38 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1ldp s THR 28 Cb -0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1ldp s THR 28 CO 0.22 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.15 1ldp n GLN 29 N 2.54 -0.23 -3.01 4.92 3.00 -1.26 -0.35 117.38 122.99 1ldp n GLN 29 Ca -0.14 0.23 -0.33 0.00 -0.01 0.00 0.00 57.00 56.75 1ldp n GLN 29 Cb 0.56 -3.55 -0.06 0.00 0.00 0.00 0.00 30.24 27.19 1ldp n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1ldp s PHE 30 N -1.94 3.40 -0.30 1.08 -0.12 -1.25 -3.47 117.98 115.38 1ldp s PHE 30 Ca 0.00 1.39 -0.17 0.00 -0.05 0.00 0.00 56.93 58.11 1ldp s PHE 30 Cb 0.00 -2.67 0.21 0.00 -0.63 0.00 0.00 43.02 39.93 1ldp s PHE 30 CO 0.00 0.06 1.28 -1.58 -0.05 0.00 0.00 175.22 174.93 1ldp s HIS 31 N -1.98 -0.06 0.56 3.49 2.46 -0.68 -2.56 115.29 116.52 1ldp s HIS 31 Ca 0.55 0.12 -0.21 0.00 0.47 0.00 0.00 55.06 55.99 1ldp s HIS 31 Cb -0.11 0.07 -0.05 0.00 -0.13 0.00 0.00 32.58 32.37 1ldp s HIS 31 CO 0.17 -0.03 1.27 -2.30 -2.47 0.00 0.00 174.74 171.38 1ldp n PRO 32 N 2.95 1.46 0.18 2.88 -0.02 -1.26 -1.73 135.00 139.46 1ldp n PRO 32 Ca -0.17 0.54 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 1ldp n PRO 32 Cb 0.56 -2.47 0.11 0.00 -0.02 0.00 0.00 33.50 31.68 1ldp n PRO 32 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ldp h PRO 33 N 1.15 0.00 -6.24 0.52 0.11 -1.93 -3.41 132.00 122.20 1ldp h PRO 33 Ca -0.50 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.07 1ldp h PRO 33 Cb 1.32 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 1ldp h PRO 33 CO 0.55 0.00 1.18 -1.58 -0.21 0.00 0.00 178.00 177.94 1ldp s HIS 34 N -3.16 2.26 0.02 0.65 2.46 -1.26 -4.95 115.29 111.31 1ldp s HIS 34 Ca -0.00 -0.12 0.06 0.00 0.47 0.00 0.00 55.06 55.47 1ldp s HIS 34 Cb 0.01 -4.57 -0.02 0.00 -0.13 0.00 0.00 32.58 27.87 1ldp s HIS 34 CO 0.04 -2.06 -0.17 -1.50 -2.47 0.00 0.00 174.74 168.57 1ldp s ILE 35 N 6.07 1.39 -0.17 0.89 2.07 -1.26 -4.47 121.20 125.72 1ldp s ILE 35 Ca 0.42 -0.93 -0.07 0.00 -1.41 0.00 0.00 60.65 58.66 1ldp s ILE 35 Cb -0.07 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.29 1ldp s ILE 35 CO 0.09 0.24 0.07 -0.70 -1.91 0.00 0.00 174.94 172.74 1ldp s GLU 36 N -0.81 3.85 0.08 3.50 -6.30 0.37 -4.97 118.70 114.42 1ldp s GLU 36 Ca 0.06 -0.31 0.10 0.00 -2.50 0.00 0.00 54.97 52.31 1ldp s GLU 36 Cb -0.07 -3.19 -0.03 0.00 0.00 0.00 0.00 34.13 30.83 1ldp s GLU 36 CO 0.01 0.38 -0.26 0.42 0.02 0.00 0.00 175.26 175.82 1ldp s ILE 37 N 0.08 2.15 -0.07 -3.70 -1.09 -1.26 -0.38 121.20 116.93 1ldp s ILE 37 Ca 0.06 -1.53 -0.03 0.00 -2.23 0.00 0.00 60.65 56.92 1ldp s ILE 37 Cb -0.12 -1.87 0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1ldp s ILE 37 CO 0.00 0.24 0.14 -1.58 -1.23 0.00 0.00 174.94 172.51 1ldp s GLN 38 N -1.58 0.04 -0.05 2.79 0.74 0.65 -4.93 119.66 117.31 1ldp s GLN 38 Ca 0.12 0.46 -0.18 0.00 0.05 0.00 0.00 55.36 55.81 1ldp s GLN 38 Cb -0.10 -0.26 -0.05 0.00 1.10 0.00 0.00 33.01 33.70 1ldp s GLN 38 CO 0.04 -0.25 0.50 -1.64 -0.55 0.00 0.00 175.29 173.38 1ldp s MET 39 N 1.84 4.23 0.33 1.67 -1.94 -1.26 0.67 119.30 124.84 1ldp s MET 39 Ca -0.01 0.54 0.04 0.00 -1.71 0.00 0.00 55.69 54.54 1ldp s MET 39 Cb -0.12 -3.35 -0.06 0.00 2.01 0.00 0.00 34.83 33.31 1ldp s MET 39 CO -0.05 0.36 0.07 -0.51 -0.01 0.00 0.00 175.02 174.87 1ldp s LEU 40 N -0.07 2.12 -0.30 -0.03 1.43 -1.15 -0.58 118.68 120.10 1ldp s LEU 40 Ca 0.27 -1.41 -0.08 0.00 -1.03 0.00 0.00 54.13 51.88 1ldp s LEU 40 Cb -0.17 -0.33 0.18 0.00 0.03 0.00 0.00 46.19 45.91 1ldp s LEU 40 CO 0.13 -0.65 0.85 -0.75 0.23 0.00 0.00 176.35 176.16 1ldp s LYS 41 N -3.88 0.36 -1.39 1.70 2.20 -1.23 -2.96 119.74 114.53 1ldp s LYS 41 Ca 0.35 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1ldp s LYS 41 Cb 0.08 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 1ldp s LYS 41 CO 0.15 -0.38 0.00 0.09 -0.36 0.00 0.00 175.35 174.85 1ldp n ASN 42 N 5.45 -3.50 0.00 1.43 3.02 -0.97 -1.27 115.26 119.42 1ldp n ASN 42 Ca -0.04 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1ldp n ASN 42 Cb 0.52 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.43 1ldp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ldp n GLY 43 N -0.27 1.81 3.58 7.41 0.00 -1.26 -5.05 105.19 111.41 1ldp n GLY 43 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1ldp n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ldp s LYS 44 N -0.78 3.64 -0.03 1.61 -0.14 -0.40 -4.99 119.74 118.65 1ldp s LYS 44 Ca 0.00 0.26 -0.33 0.00 -1.36 0.00 0.00 55.97 54.54 1ldp s LYS 44 Cb 0.00 -3.87 -0.11 0.00 -1.68 0.00 0.00 37.83 32.17 1ldp s LYS 44 CO 0.00 -1.05 1.90 0.36 -0.76 0.00 0.00 175.35 175.80 1ldp n LYS 45 N 6.83 2.43 -1.92 1.68 -0.00 -1.26 -3.51 118.16 122.40 1ldp n LYS 45 Ca 0.05 0.89 -0.42 0.00 -0.00 0.00 0.00 58.31 58.83 1ldp n LYS 45 Cb 0.48 -2.77 -0.03 0.00 -0.00 0.00 0.00 35.03 32.71 1ldp n LYS 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1ldp s ILE 46 N 4.08 3.15 0.02 0.58 1.01 0.25 -4.92 121.20 125.37 1ldp s ILE 46 Ca 0.91 0.49 -0.26 0.00 0.00 0.00 0.00 60.65 61.79 1ldp s ILE 46 Cb -0.60 -3.32 -0.17 0.00 0.01 0.00 0.00 42.46 38.39 1ldp s ILE 46 CO 0.48 -0.01 1.32 -0.65 0.00 0.00 0.00 174.94 176.07 1ldp h PRO 47 N 8.79 -0.37 -6.01 2.79 0.11 -1.89 -3.43 132.00 131.98 1ldp h PRO 47 Ca -0.43 0.03 -0.57 0.00 0.11 0.00 0.00 66.00 65.14 1ldp h PRO 47 Cb 1.20 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 1ldp h PRO 47 CO 0.94 -0.07 0.33 0.15 -0.21 0.00 0.00 178.00 179.14 1ldp s LYS 48 N -4.89 4.35 0.00 1.05 1.02 -1.26 -5.03 119.74 114.98 1ldp s LYS 48 Ca -0.15 1.04 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1ldp s LYS 48 Cb 0.03 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1ldp s LYS 48 CO 0.57 -0.23 0.00 0.28 -0.92 0.00 0.00 175.35 175.05 1ldp n VAL 49 N 4.47 0.00 -3.93 3.17 0.31 -1.26 -4.52 118.33 116.57 1ldp n VAL 49 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 1ldp n VAL 49 Cb 0.49 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.36 1ldp n VAL 49 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ldp s GLU 50 N -0.34 1.20 -0.36 5.55 0.41 -1.24 -4.88 118.70 119.05 1ldp s GLU 50 Ca 0.00 -1.13 0.04 0.00 -0.41 0.00 0.00 54.97 53.47 1ldp s GLU 50 Cb 0.00 0.40 0.16 0.00 -1.78 0.00 0.00 34.13 32.91 1ldp s GLU 50 CO 0.00 -0.45 0.44 -1.64 -0.49 0.00 0.00 175.26 173.12 1ldp s MET 51 N -3.95 0.61 0.12 1.61 -1.94 -1.26 -4.35 119.30 110.14 1ldp s MET 51 Ca 0.16 -0.46 0.06 0.00 -1.71 0.00 0.00 55.69 53.74 1ldp s MET 51 Cb 0.03 -0.44 -0.04 0.00 2.01 0.00 0.00 34.83 36.39 1ldp s MET 51 CO -0.00 -1.15 -0.15 -1.12 -0.01 0.00 0.00 175.02 172.59 1ldp s SER 52 N 1.83 2.07 -1.28 3.03 0.01 -0.97 -4.80 113.70 113.59 1ldp s SER 52 Ca 0.15 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1ldp s SER 52 Cb -0.12 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1ldp s SER 52 CO -0.12 -0.12 0.00 -0.67 0.41 0.00 0.00 173.24 172.74 1ldp n ASP 53 N 0.57 -4.46 -4.55 2.44 2.03 -1.26 -2.54 116.55 108.78 1ldp n ASP 53 Ca -0.16 0.05 -0.13 0.00 0.52 0.00 0.00 54.79 55.07 1ldp n ASP 53 Cb 0.57 -3.55 -0.09 0.00 -0.72 0.00 0.00 41.12 37.32 1ldp n ASP 53 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1ldp n MET 54 N -2.42 0.34 -0.75 -0.67 0.00 -1.25 -4.71 117.12 107.65 1ldp n MET 54 Ca -0.17 -1.16 0.00 0.00 -0.00 0.00 0.00 57.70 56.37 1ldp n MET 54 Cb 0.60 -3.66 0.00 0.00 0.00 0.00 0.00 33.22 30.16 1ldp n MET 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ldp n SER 55 N 18.60 0.67 -3.76 6.12 2.88 -1.24 -4.93 113.62 131.96 1ldp n SER 55 Ca 0.44 -0.38 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 1ldp n SER 55 Cb 0.44 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.79 1ldp n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ldp s PHE 56 N -0.84 -0.37 0.80 0.66 -0.12 -1.26 -1.37 117.98 115.48 1ldp s PHE 56 Ca 0.00 0.89 -0.12 0.00 -0.05 0.00 0.00 56.93 57.65 1ldp s PHE 56 Cb 0.00 0.13 0.07 0.00 -0.63 0.00 0.00 43.02 42.59 1ldp s PHE 56 CO 0.00 -0.18 1.17 -1.54 -0.05 0.00 0.00 175.22 174.62 1ldp s SER 57 N 0.26 4.62 0.57 1.98 1.04 -1.15 -4.91 113.70 116.10 1ldp s SER 57 Ca -0.01 0.83 0.27 0.00 0.48 0.00 0.00 55.95 57.53 1ldp s SER 57 Cb -0.03 -1.37 1.51 0.00 0.10 0.00 0.00 66.02 66.24 1ldp s SER 57 CO -0.00 -1.84 2.00 0.07 0.98 0.00 0.00 173.24 174.45 1ldp h LYS 58 N -1.01 0.00 0.00 4.02 5.09 -2.02 -0.90 116.57 121.75 1ldp h LYS 58 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1ldp h LYS 58 Cb 1.32 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.65 1ldp h LYS 58 CO 0.66 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.77 1ldp n ASP 59 N -3.97 0.00 -2.76 7.07 9.92 -1.26 -4.79 116.55 120.76 1ldp n ASP 59 Ca 0.06 -0.85 -0.19 0.00 -0.53 0.00 0.00 54.79 53.28 1ldp n ASP 59 Cb 0.53 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.01 1ldp n ASP 59 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1ldp n TRP 60 N -0.55 -1.54 -3.69 1.24 7.02 -0.35 -4.97 117.44 114.60 1ldp n TRP 60 Ca 0.01 0.24 -0.37 0.00 -1.02 0.00 0.00 57.50 56.35 1ldp n TRP 60 Cb 0.01 -3.62 -0.12 0.00 -2.42 0.00 0.00 31.31 25.16 1ldp n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1ldp s SER 61 N -2.35 5.41 0.18 -0.99 0.01 -1.23 -4.95 113.70 109.78 1ldp s SER 61 Ca 0.16 -0.29 -0.27 0.00 1.31 0.00 0.00 55.95 56.87 1ldp s SER 61 Cb -0.08 -1.98 -0.08 0.00 0.21 0.00 0.00 66.02 64.09 1ldp s SER 61 CO 0.20 -0.09 0.82 -0.36 0.41 0.00 0.00 173.24 174.22 1ldp s PHE 62 N 1.64 3.92 0.33 2.43 0.40 -1.06 -2.95 117.98 122.68 1ldp s PHE 62 Ca 0.06 1.70 0.04 0.00 -0.60 0.00 0.00 56.93 58.13 1ldp s PHE 62 Cb -0.16 -2.83 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1ldp s PHE 62 CO 0.06 0.48 0.19 1.52 0.70 0.00 0.00 175.22 178.16 1ldp s TYR 63 N -1.06 1.65 0.33 0.36 -0.85 -0.47 -3.77 117.35 113.54 1ldp s TYR 63 Ca 0.38 -1.44 -0.11 0.00 -0.52 0.00 0.00 57.07 55.38 1ldp s TYR 63 Cb -0.24 -0.86 0.02 0.00 0.38 0.00 0.00 41.96 41.26 1ldp s TYR 63 CO 0.28 -0.58 0.60 0.96 -1.52 0.00 0.00 175.55 175.28 1ldp s ILE 64 N -3.52 0.00 -0.18 -3.49 -4.36 -1.26 -3.60 121.20 104.79 1ldp s ILE 64 Ca 0.35 -1.31 -0.04 0.00 -0.26 0.00 0.00 60.65 59.39 1ldp s ILE 64 Cb 0.04 -2.54 0.09 0.00 1.25 0.00 0.00 42.46 41.30 1ldp s ILE 64 CO 0.19 0.00 0.27 -0.22 0.24 0.00 0.00 174.94 175.43 1ldp s LEU 65 N -3.10 -0.30 0.01 0.37 2.96 -1.05 -2.15 118.68 115.41 1ldp s LEU 65 Ca 0.22 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.43 1ldp s LEU 65 Cb -0.02 0.68 -0.03 0.00 0.50 0.00 0.00 46.19 47.32 1ldp s LEU 65 CO 0.13 -0.28 -0.23 0.00 -1.32 0.00 0.00 176.35 174.65 1ldp s ALA 66 N 2.41 2.35 -0.19 5.97 0.00 -1.23 -2.28 121.76 128.79 1ldp s ALA 66 Ca 0.05 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 1ldp s ALA 66 Cb -0.14 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.40 1ldp s ALA 66 CO -0.11 0.54 0.54 -3.38 0.00 0.00 0.00 175.76 173.35 1ldp s HIS 67 N -0.75 -0.58 0.51 0.00 -3.43 -1.26 -0.02 115.29 109.77 1ldp s HIS 67 Ca 0.12 1.38 0.05 0.00 -0.80 0.00 0.00 55.06 55.80 1ldp s HIS 67 Cb -0.10 0.21 0.01 0.00 -1.43 0.00 0.00 32.58 31.27 1ldp s HIS 67 CO 0.01 -0.31 0.28 -0.08 -2.00 0.00 0.00 174.74 172.64 1ldp s THR 68 N 0.13 1.70 -1.09 -5.38 -1.32 -0.85 -3.61 115.64 105.22 1ldp s THR 68 Ca -0.01 -1.63 -0.10 0.00 -1.21 0.00 0.00 61.69 58.74 1ldp s THR 68 Cb -0.04 -2.32 0.27 0.00 -1.51 0.00 0.00 72.50 68.90 1ldp s THR 68 CO 0.01 0.00 1.08 -0.70 -2.21 0.00 0.00 174.62 172.81 1ldp s GLU 69 N -4.13 4.15 0.55 7.08 2.56 -1.26 -1.86 118.70 125.78 1ldp s GLU 69 Ca 0.30 -3.14 -0.07 0.00 0.00 0.00 0.00 54.97 52.06 1ldp s GLU 69 Cb -0.00 -4.55 -0.02 0.00 2.00 0.00 0.00 34.13 31.55 1ldp s GLU 69 CO 0.18 -1.25 0.87 -0.59 -0.56 0.00 0.00 175.26 173.91 1ldp s PHE 70 N -1.10 3.47 -0.16 5.30 -0.71 -1.17 -4.93 117.98 118.67 1ldp s PHE 70 Ca 0.30 0.84 -0.05 0.00 -1.04 0.00 0.00 56.93 56.98 1ldp s PHE 70 Cb -0.10 -2.53 0.06 0.00 -1.21 0.00 0.00 43.02 39.23 1ldp s PHE 70 CO -0.08 -0.55 0.08 0.99 -1.34 0.00 0.00 175.22 174.32 1ldp s THR 71 N -2.91 -0.05 0.24 -4.49 2.01 -1.26 -2.91 115.64 106.27 1ldp s THR 71 Ca 0.51 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 1ldp s THR 71 Cb -0.10 -0.57 -0.14 0.00 0.01 0.00 0.00 72.50 71.69 1ldp s THR 71 CO 0.47 -0.24 1.34 -0.81 -0.69 0.00 0.00 174.62 174.68 1ldp n PRO 72 N 5.27 1.88 -3.26 4.92 -0.04 -1.26 -4.86 135.00 137.65 1ldp n PRO 72 Ca -0.07 0.67 -0.04 0.00 -0.04 0.00 0.00 63.50 64.02 1ldp n PRO 72 Cb 0.49 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.63 1ldp n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ldp s THR 73 N -0.23 -0.78 0.55 0.52 2.01 -1.26 -2.94 115.64 113.51 1ldp s THR 73 Ca 0.67 -0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.68 1ldp s THR 73 Cb -0.67 -0.93 0.13 0.00 0.01 0.00 0.00 72.50 71.04 1ldp s THR 73 CO 0.52 -0.10 0.95 -0.62 -0.69 0.00 0.00 174.62 174.68 1ldp n GLU 74 N 5.39 0.02 -0.02 4.92 1.02 -1.26 -0.40 120.64 130.31 1ldp n GLU 74 Ca -0.01 0.84 -0.11 0.00 -0.02 0.00 0.00 57.16 57.86 1ldp n GLU 74 Cb 0.51 -2.19 -0.14 0.00 -0.02 0.00 0.00 31.44 29.60 1ldp n GLU 74 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ldp n THR 75 N -2.50 1.63 -1.79 2.62 -1.04 -1.26 -4.97 114.28 106.97 1ldp n THR 75 Ca 0.08 -0.77 -0.25 0.00 -2.04 0.00 0.00 64.05 61.06 1ldp n THR 75 Cb 1.04 -1.14 0.18 0.00 -1.82 0.00 0.00 70.33 68.58 1ldp n THR 75 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ldp n ASP 76 N -3.11 0.09 -3.64 8.00 8.00 0.47 -5.11 116.55 121.24 1ldp n ASP 76 Ca -0.20 -1.42 -0.04 0.00 0.71 0.00 0.00 54.79 53.85 1ldp n ASP 76 Cb 1.05 -0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1ldp n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ldp s THR 77 N -3.49 -0.50 0.57 -3.53 2.01 -1.26 -4.90 115.64 104.54 1ldp s THR 77 Ca 0.65 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.68 1ldp s THR 77 Cb -0.02 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.56 1ldp s THR 77 CO 0.45 0.00 0.79 -0.31 -0.69 0.00 0.00 174.62 174.86 1ldp s TYR 78 N 2.27 2.24 0.20 4.92 2.02 -1.26 -2.29 117.35 125.44 1ldp s TYR 78 Ca -0.08 -0.30 -0.21 0.00 -0.37 0.00 0.00 57.07 56.11 1ldp s TYR 78 Cb -0.08 -2.63 0.07 0.00 -0.40 0.00 0.00 41.96 38.92 1ldp s TYR 78 CO -0.19 -1.04 0.99 0.00 -1.57 0.00 0.00 175.55 173.74 1ldp n ALA 79 N -2.34 -2.57 -3.67 3.71 0.00 -1.15 -1.99 120.51 112.48 1ldp n ALA 79 Ca 0.11 -1.03 -0.14 0.00 0.00 0.00 0.00 53.44 52.39 1ldp n ALA 79 Cb 0.60 0.60 -0.14 0.00 0.00 0.00 0.00 19.45 20.51 1ldp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ldp s ARG 81 N 2.21 3.41 -0.28 0.00 6.06 0.21 -1.81 118.95 128.76 1ldp s ARG 81 Ca 0.00 -0.69 -0.18 0.00 -2.50 0.00 0.00 55.73 52.36 1ldp s ARG 81 Cb -0.12 -2.91 0.11 0.00 0.06 0.00 0.00 34.95 32.08 1ldp s ARG 81 CO -0.08 0.48 0.82 0.54 -2.50 0.00 0.00 175.30 174.56 1ldp s VAL 82 N -1.86 0.00 -0.05 7.11 0.11 -1.03 -0.26 120.40 124.43 1ldp s VAL 82 Ca 0.34 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 1ldp s VAL 82 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1ldp s VAL 82 CO 0.29 0.00 -0.05 -0.54 -3.33 0.00 0.00 175.10 171.46 1ldp s LYS 83 N 1.29 2.74 -0.30 1.54 1.02 0.49 -2.38 119.74 124.14 1ldp s LYS 83 Ca -0.08 -0.58 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 1ldp s LYS 83 Cb -0.05 -2.61 0.14 0.00 -0.52 0.00 0.00 37.83 34.80 1ldp s LYS 83 CO -0.15 0.65 0.72 -1.58 -0.92 0.00 0.00 175.35 174.07 1ldp s HIS 84 N -0.90 -1.22 0.11 3.18 2.46 -1.26 -0.48 115.29 117.18 1ldp s HIS 84 Ca 0.14 2.08 0.06 0.00 0.47 0.00 0.00 55.06 57.81 1ldp s HIS 84 Cb -0.11 0.72 0.39 0.00 -0.13 0.00 0.00 32.58 33.45 1ldp s HIS 84 CO 0.04 -0.61 0.48 -0.25 -2.47 0.00 0.00 174.74 171.93 1ldp n ASP 85 N 5.35 0.09 -1.79 9.88 8.00 -1.26 -2.50 116.55 134.33 1ldp n ASP 85 Ca -0.11 0.50 -0.01 0.00 0.71 0.00 0.00 54.79 55.88 1ldp n ASP 85 Cb 0.50 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1ldp n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ldp n SER 86 N -3.73 3.31 -3.64 -2.24 3.41 -1.26 -4.71 113.62 104.75 1ldp n SER 86 Ca 0.11 -1.92 -0.04 0.00 -0.26 0.00 0.00 58.87 56.76 1ldp n SER 86 Cb 0.37 -0.74 -0.07 0.00 -0.26 0.00 0.00 64.21 63.52 1ldp n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ldp s MET 87 N 0.95 0.15 0.08 4.33 0.23 -1.04 -4.79 119.30 119.21 1ldp s MET 87 Ca 0.08 0.15 -0.25 0.00 -1.03 0.00 0.00 55.69 54.64 1ldp s MET 87 Cb 0.04 0.07 -0.10 0.00 -1.53 0.00 0.00 34.83 33.31 1ldp s MET 87 CO 0.00 -0.02 1.40 0.00 -2.03 0.00 0.00 175.02 174.37 1ldp h ALA 88 N 3.15 -0.84 -2.76 3.16 0.00 -1.89 -3.45 119.26 116.64 1ldp h ALA 88 Ca -0.25 -0.07 -0.42 0.00 0.00 0.00 0.00 54.91 54.18 1ldp h ALA 88 Cb 1.19 0.83 -0.17 0.00 0.00 0.00 0.00 17.79 19.63 1ldp h ALA 88 CO 0.18 -0.95 -0.75 -1.21 0.00 0.00 0.00 179.25 176.51 1ldp s GLU 89 N -4.99 1.09 0.23 0.00 0.41 -1.26 -5.09 118.70 109.09 1ldp s GLU 89 Ca -0.12 -1.32 -0.31 0.00 -0.41 0.00 0.00 54.97 52.82 1ldp s GLU 89 Cb 0.05 -0.94 -0.14 0.00 -1.78 0.00 0.00 34.13 31.32 1ldp s GLU 89 CO 0.44 0.17 1.34 -0.35 -0.49 0.00 0.00 175.26 176.37 1ldp n PRO 90 N 0.34 1.83 -3.55 0.39 -0.04 -1.26 -5.00 135.00 127.71 1ldp n PRO 90 Ca -0.14 0.65 -0.32 0.00 -0.04 0.00 0.00 63.50 63.65 1ldp n PRO 90 Cb 0.58 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 1ldp n PRO 90 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ldp s LYS 91 N -0.50 3.73 -0.11 0.54 1.02 -1.00 -4.91 119.74 118.51 1ldp s LYS 91 Ca 0.68 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.80 1ldp s LYS 91 Cb -0.69 -2.81 0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1ldp s LYS 91 CO 0.51 0.43 -0.11 0.99 -0.92 0.00 0.00 175.35 176.25 1ldp s THR 92 N -1.66 1.23 -0.40 2.17 2.01 -1.26 -2.46 115.64 115.27 1ldp s THR 92 Ca 0.42 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1ldp s THR 92 Cb -0.12 -1.17 0.10 0.00 0.01 0.00 0.00 72.50 71.31 1ldp s THR 92 CO 0.22 0.39 0.18 -0.69 -0.69 0.00 0.00 174.62 174.04 1ldp s VAL 93 N 1.29 3.33 -0.09 3.82 1.01 -0.75 -4.96 120.40 124.05 1ldp s VAL 93 Ca -0.02 -1.92 -0.27 0.00 0.00 0.00 0.00 61.98 59.78 1ldp s VAL 93 Cb -0.14 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1ldp s VAL 93 CO -0.05 -0.60 0.87 -0.31 0.00 0.00 0.00 175.10 175.01 1ldp s TYR 94 N 1.18 3.54 0.17 5.22 2.02 -1.26 -0.60 117.35 127.62 1ldp s TYR 94 Ca 0.06 1.43 -0.31 0.00 -0.37 0.00 0.00 57.07 57.88 1ldp s TYR 94 Cb -0.22 -3.02 -0.09 0.00 -0.40 0.00 0.00 41.96 38.22 1ldp s TYR 94 CO -0.03 -0.09 1.45 -0.46 -1.57 0.00 0.00 175.55 174.84 1ldp s TRP 95 N 1.48 3.14 -0.36 2.71 -0.00 -0.84 -4.93 118.94 120.14 1ldp s TRP 95 Ca 0.43 0.90 -0.10 0.00 -0.00 0.00 0.00 56.10 57.33 1ldp s TRP 95 Cb -0.18 -3.78 0.02 0.00 -0.00 0.00 0.00 33.47 29.53 1ldp s TRP 95 CO 0.19 -2.71 0.18 0.34 -0.00 0.00 0.00 176.95 174.95 1ldp s ASP 96 N 0.85 5.64 0.01 5.86 2.15 -1.26 -4.75 116.67 125.18 1ldp s ASP 96 Ca 0.64 -0.94 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 1ldp s ASP 96 Cb -0.40 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1ldp s ASP 96 CO 0.34 -0.35 0.09 0.54 -0.17 0.00 0.00 175.17 175.63 1ldp n ARG 97 N 4.97 -0.02 -0.46 4.34 5.12 -1.26 -0.78 116.66 128.56 1ldp n ARG 97 Ca -0.12 0.09 0.04 0.00 -1.93 0.00 0.00 57.85 55.93 1ldp n ARG 97 Cb 0.46 -0.13 0.22 0.00 -1.16 0.00 0.00 32.46 31.85 1ldp n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1ldp n ASP 98 N -4.07 3.45 -0.47 0.55 8.00 -1.26 -4.85 116.55 117.90 1ldp n ASP 98 Ca 0.00 -2.46 0.06 0.00 0.71 0.00 0.00 54.79 53.10 1ldp n ASP 98 Cb 0.02 -0.57 0.05 0.00 -0.02 0.00 0.00 41.12 40.60 1ldp n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61