#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ilp s GLN 2 N 0.00 4.54 -0.04 6.28 -0.21 -1.26 -4.74 119.66 124.24 3ilp s GLN 2 Ca 0.00 1.80 0.04 0.00 0.02 0.00 0.00 55.36 57.22 3ilp s GLN 2 Cb 0.00 -3.25 -0.00 0.00 1.00 0.00 0.00 33.01 30.76 3ilp s GLN 2 CO 0.00 0.00 -0.15 0.15 -2.12 0.00 0.00 175.29 173.18 3ilp s LYS 3 N -0.38 1.51 0.07 2.91 1.02 -0.13 -4.92 119.74 119.82 3ilp s LYS 3 Ca 0.51 -0.51 -0.28 0.00 0.02 0.00 0.00 55.97 55.70 3ilp s LYS 3 Cb -0.31 -1.34 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 3ilp s LYS 3 CO 0.36 0.20 0.90 0.99 -0.92 0.00 0.00 175.35 176.89 3ilp s THR 4 N 0.08 4.65 0.36 2.17 2.01 -1.26 -1.81 115.64 121.84 3ilp s THR 4 Ca -0.03 1.93 -0.28 0.00 0.31 0.00 0.00 61.69 63.62 3ilp s THR 4 Cb -0.10 -4.26 -0.10 0.00 0.01 0.00 0.00 72.50 68.05 3ilp s THR 4 CO 0.02 0.30 1.36 -2.16 -0.69 0.00 0.00 174.62 173.44 3ilp s PRO 5 N 0.21 4.21 0.08 4.92 0.04 -1.26 -4.40 135.00 138.79 3ilp s PRO 5 Ca 0.45 2.31 0.02 0.00 0.04 0.00 0.00 61.00 63.81 3ilp s PRO 5 Cb -0.22 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 3ilp s PRO 5 CO 0.27 -0.35 0.16 -0.65 0.04 0.00 0.00 177.00 176.48 3ilp s GLN 6 N -1.97 3.20 -0.05 4.56 -1.52 -0.22 -4.93 119.66 118.73 3ilp s GLN 6 Ca 0.52 -0.57 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 3ilp s GLN 6 Cb -0.41 -2.90 0.02 0.00 -0.22 0.00 0.00 33.01 29.50 3ilp s GLN 6 CO 0.55 0.58 -0.04 0.42 -0.25 0.00 0.00 175.29 176.55 3ilp s ILE 7 N -1.50 0.52 -0.08 1.08 1.01 -1.26 -1.40 121.20 119.58 3ilp s ILE 7 Ca 0.33 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.93 3ilp s ILE 7 Cb -0.12 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.78 3ilp s ILE 7 CO 0.26 0.24 -0.15 -1.10 0.00 0.00 0.00 174.94 174.18 3ilp s GLN 8 N 1.17 2.06 -0.12 2.79 -0.21 -0.04 -4.98 119.66 120.33 3ilp s GLN 8 Ca -0.07 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 54.81 3ilp s GLN 8 Cb -0.14 -1.66 0.01 0.00 1.00 0.00 0.00 33.01 32.22 3ilp s GLN 8 CO -0.01 0.05 -0.23 0.08 -2.12 0.00 0.00 175.29 173.06 3ilp s VAL 9 N 0.63 2.03 0.06 1.09 1.01 -1.26 -0.30 120.40 123.66 3ilp s VAL 9 Ca -0.15 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 3ilp s VAL 9 Cb -0.16 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.50 3ilp s VAL 9 CO 0.04 0.55 0.55 -0.72 0.00 0.00 0.00 175.10 175.52 3ilp s TYR 10 N 0.59 -0.46 0.17 5.22 1.13 -0.74 -4.72 117.35 118.54 3ilp s TYR 10 Ca -0.13 0.49 -0.05 0.00 -1.41 0.00 0.00 57.07 55.97 3ilp s TYR 10 Cb -0.17 0.39 -0.06 0.00 -1.10 0.00 0.00 41.96 41.03 3ilp s TYR 10 CO 0.03 -0.68 0.41 -1.54 -2.51 0.00 0.00 175.55 171.26 3ilp s SER 11 N -2.09 6.50 0.15 -0.18 1.04 -1.26 -0.63 113.70 117.23 3ilp s SER 11 Ca -0.04 0.63 -0.12 0.00 0.48 0.00 0.00 55.95 56.90 3ilp s SER 11 Cb -0.00 -2.11 0.02 0.00 0.10 0.00 0.00 66.02 64.03 3ilp s SER 11 CO -0.03 0.01 1.59 -0.09 0.98 0.00 0.00 173.24 175.70 3ilp h ARG 12 N 2.64 0.92 -6.23 4.02 9.65 -1.30 -3.45 114.38 120.62 3ilp h ARG 12 Ca -0.46 -0.31 -0.59 0.00 -1.10 0.00 0.00 59.98 57.51 3ilp h ARG 12 Cb 1.17 -0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 29.56 3ilp h ARG 12 CO 0.71 0.97 -0.71 -1.01 2.80 0.00 0.00 179.97 182.73 3ilp s HIS 13 N -4.94 2.48 0.10 2.20 3.76 -1.26 -5.03 115.29 112.60 3ilp s HIS 13 Ca -0.12 -0.28 -0.35 0.00 -0.15 0.00 0.00 55.06 54.16 3ilp s HIS 13 Cb 0.12 -1.10 -0.15 0.00 1.11 0.00 0.00 32.58 32.56 3ilp s HIS 13 CO 0.84 0.66 1.50 -2.30 -0.85 0.00 0.00 174.74 174.58 3ilp n PRO 14 N -0.67 1.67 -2.27 8.40 -0.02 -1.26 -4.88 135.00 135.97 3ilp n PRO 14 Ca -0.06 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 3ilp n PRO 14 Cb 0.59 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3ilp n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ilp s PRO 15 N 1.01 4.40 -0.05 0.52 0.04 -1.26 -5.02 135.00 134.63 3ilp s PRO 15 Ca 0.83 1.98 -0.02 0.00 0.04 0.00 0.00 61.00 63.83 3ilp s PRO 15 Cb -0.82 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 30.51 3ilp s PRO 15 CO 0.44 -0.27 0.05 -1.21 0.04 0.00 0.00 177.00 176.04 3ilp s GLU 16 N 0.40 0.07 0.17 4.56 2.02 -1.26 -5.11 118.70 119.54 3ilp s GLU 16 Ca 0.58 0.31 -0.33 0.00 0.02 0.00 0.00 54.97 55.55 3ilp s GLU 16 Cb -0.35 -0.59 -0.14 0.00 0.10 0.00 0.00 34.13 33.15 3ilp s GLU 16 CO 0.34 -0.31 1.42 0.09 0.02 0.00 0.00 175.26 176.82 3ilp n ASN 17 N 5.19 2.47 0.00 -0.19 3.02 -1.26 -1.47 115.26 123.02 3ilp n ASN 17 Ca -0.06 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3ilp n ASN 17 Cb 0.50 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3ilp n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ilp n GLY 18 N 2.65 1.67 3.54 7.41 0.00 0.01 -4.98 105.19 115.49 3ilp n GLY 18 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3ilp n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ilp s LYS 19 N -0.41 3.79 0.44 1.61 -0.14 -0.54 -4.99 119.74 119.50 3ilp s LYS 19 Ca 0.00 -0.43 -0.26 0.00 -1.36 0.00 0.00 55.97 53.92 3ilp s LYS 19 Cb 0.00 -3.16 -0.09 0.00 -1.68 0.00 0.00 37.83 32.90 3ilp s LYS 19 CO 0.00 0.13 1.42 -2.30 -0.76 0.00 0.00 175.35 173.83 3ilp n PRO 20 N 3.94 2.24 -3.39 -1.68 -0.02 -1.26 -4.27 135.00 130.56 3ilp n PRO 20 Ca -0.17 0.80 -0.11 0.00 -2.02 0.00 0.00 63.50 62.00 3ilp n PRO 20 Cb 0.52 -2.60 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 3ilp n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ilp n ASN 21 N -0.08 -1.00 -4.03 2.55 2.85 0.16 -4.99 115.26 110.71 3ilp n ASN 21 Ca 0.05 -2.43 -0.27 0.00 -0.11 0.00 0.00 54.58 51.82 3ilp n ASN 21 Cb 0.41 1.88 -0.17 0.00 1.24 0.00 0.00 39.78 43.14 3ilp n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3ilp s ILE 22 N -2.73 1.31 -0.18 -1.44 1.01 -1.26 -1.43 121.20 116.47 3ilp s ILE 22 Ca 0.22 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3ilp s ILE 22 Cb -0.01 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 3ilp s ILE 22 CO 0.16 0.40 0.22 -0.22 0.00 0.00 0.00 174.94 175.50 3ilp s LEU 23 N 0.91 4.22 -0.10 2.97 2.96 0.07 -0.70 118.68 129.00 3ilp s LEU 23 Ca -0.09 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3ilp s LEU 23 Cb -0.15 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3ilp s LEU 23 CO 0.00 0.13 0.04 0.20 -1.32 0.00 0.00 176.35 175.40 3ilp s ASN 24 N 0.48 5.51 -0.22 3.68 0.01 0.19 -1.60 114.94 123.00 3ilp s ASN 24 Ca 0.12 0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.49 3ilp s ASN 24 Cb -0.12 -1.63 0.05 0.00 0.41 0.00 0.00 41.25 39.96 3ilp s ASN 24 CO 0.01 0.37 -0.06 0.00 -1.51 0.00 0.00 177.10 175.92 3ilp s TYR 26 N 1.43 3.12 -0.14 0.00 5.04 0.59 -0.91 117.35 126.49 3ilp s TYR 26 Ca -0.04 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.21 3ilp s TYR 26 Cb -0.18 -2.28 -0.00 0.00 0.35 0.00 0.00 41.96 39.85 3ilp s TYR 26 CO -0.07 -0.35 -0.17 0.08 -1.34 0.00 0.00 175.55 173.69 3ilp s VAL 27 N 1.63 2.52 0.23 3.14 1.01 -0.41 -0.86 120.40 127.67 3ilp s VAL 27 Ca 0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3ilp s VAL 27 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3ilp s VAL 27 CO 0.05 0.53 0.21 0.42 0.00 0.00 0.00 175.10 176.31 3ilp s THR 28 N 0.70 0.00 -1.52 3.92 -4.23 -0.49 -1.33 115.64 112.69 3ilp s THR 28 Ca -0.08 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3ilp s THR 28 Cb -0.16 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3ilp s THR 28 CO 0.01 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.09 3ilp n GLN 29 N -0.35 -1.21 -4.16 3.99 1.13 -0.78 -1.06 117.38 114.93 3ilp n GLN 29 Ca 0.03 0.90 -0.25 0.00 -1.94 0.00 0.00 57.00 55.74 3ilp n GLN 29 Cb 0.65 -5.21 -0.06 0.00 0.11 0.00 0.00 30.24 25.73 3ilp n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3ilp s PHE 30 N -2.71 2.97 -0.27 1.08 -0.71 -1.21 -3.98 117.98 113.15 3ilp s PHE 30 Ca 0.00 -0.11 -0.22 0.00 -1.04 0.00 0.00 56.93 55.56 3ilp s PHE 30 Cb 0.00 -1.39 0.07 0.00 -1.21 0.00 0.00 43.02 40.49 3ilp s PHE 30 CO 0.00 0.54 0.70 -1.58 -1.34 0.00 0.00 175.22 173.53 3ilp s HIS 31 N -1.95 -0.85 0.97 3.49 2.46 -0.75 -1.76 115.29 116.90 3ilp s HIS 31 Ca 0.31 1.94 -0.13 0.00 0.47 0.00 0.00 55.06 57.65 3ilp s HIS 31 Cb -0.09 0.36 0.17 0.00 -0.13 0.00 0.00 32.58 32.90 3ilp s HIS 31 CO 0.22 -0.41 1.14 -1.25 -2.47 0.00 0.00 174.74 171.96 3ilp s PRO 32 N 0.73 0.66 0.30 2.88 0.04 -1.26 -0.95 135.00 137.39 3ilp s PRO 32 Ca -0.03 0.25 0.25 0.00 0.04 0.00 0.00 61.00 61.51 3ilp s PRO 32 Cb -0.05 -1.79 1.04 0.00 0.04 0.00 0.00 34.50 33.74 3ilp s PRO 32 CO -0.05 -2.52 1.76 -1.00 0.04 0.00 0.00 177.00 175.23 3ilp h PRO 33 N -1.73 0.00 -6.37 0.56 0.13 -2.00 -3.44 132.00 119.14 3ilp h PRO 33 Ca -0.51 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.08 3ilp h PRO 33 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3ilp h PRO 33 CO 0.56 0.00 0.67 -1.01 -0.23 0.00 0.00 178.00 178.00 3ilp s HIS 34 N -3.37 3.22 0.02 1.56 3.76 -1.26 -4.98 115.29 114.24 3ilp s HIS 34 Ca 0.04 1.19 -0.22 0.00 -0.15 0.00 0.00 55.06 55.92 3ilp s HIS 34 Cb 0.09 -3.45 0.05 0.00 1.11 0.00 0.00 32.58 30.38 3ilp s HIS 34 CO 0.42 -1.44 0.49 -1.50 -0.85 0.00 0.00 174.74 171.86 3ilp s ILE 35 N 1.88 0.03 -0.09 0.60 2.07 -1.26 -4.65 121.20 119.79 3ilp s ILE 35 Ca 0.58 -0.28 0.04 0.00 -1.41 0.00 0.00 60.65 59.58 3ilp s ILE 35 Cb -0.27 -0.92 0.00 0.00 0.13 0.00 0.00 42.46 41.40 3ilp s ILE 35 CO 0.25 -0.15 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.20 3ilp s GLU 36 N -2.04 2.75 -0.07 3.50 2.12 -0.69 -5.01 118.70 119.26 3ilp s GLU 36 Ca -0.08 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.46 3ilp s GLU 36 Cb -0.01 -2.13 0.02 0.00 0.26 0.00 0.00 34.13 32.26 3ilp s GLU 36 CO 0.01 0.19 -0.11 0.42 -0.54 0.00 0.00 175.26 175.24 3ilp s ILE 37 N 0.30 1.08 0.05 -3.70 1.01 -1.26 -1.14 121.20 117.53 3ilp s ILE 37 Ca -0.16 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.15 3ilp s ILE 37 Cb -0.17 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 3ilp s ILE 37 CO 0.07 0.35 -0.22 -1.10 0.00 0.00 0.00 174.94 174.04 3ilp s GLN 38 N 0.91 1.47 -0.09 2.79 -0.21 0.29 -4.98 119.66 119.83 3ilp s GLN 38 Ca -0.10 -0.99 -0.01 0.00 0.02 0.00 0.00 55.36 54.28 3ilp s GLN 38 Cb -0.15 -1.61 -0.03 0.00 1.00 0.00 0.00 33.01 32.22 3ilp s GLN 38 CO 0.01 0.41 -0.03 -1.64 -2.12 0.00 0.00 175.29 171.91 3ilp s MET 39 N -1.23 2.98 -0.03 2.91 -1.94 -1.26 -0.53 119.30 120.20 3ilp s MET 39 Ca 0.08 -0.48 0.07 0.00 -1.71 0.00 0.00 55.69 53.65 3ilp s MET 39 Cb -0.09 -2.72 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 3ilp s MET 39 CO 0.02 0.62 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.90 3ilp s LEU 40 N -0.67 2.04 -0.19 -0.03 1.43 0.36 -0.28 118.68 121.34 3ilp s LEU 40 Ca 0.10 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3ilp s LEU 40 Cb -0.12 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.85 3ilp s LEU 40 CO 0.02 0.28 -0.15 -0.75 0.23 0.00 0.00 176.35 175.97 3ilp s LYS 41 N -0.43 3.11 -1.39 1.70 2.20 0.71 -1.40 119.74 124.23 3ilp s LYS 41 Ca 0.05 -0.77 -0.10 0.00 -0.36 0.00 0.00 55.97 54.79 3ilp s LYS 41 Cb -0.11 -2.71 0.07 0.00 -1.51 0.00 0.00 37.83 33.58 3ilp s LYS 41 CO 0.00 -0.21 0.60 0.09 -0.36 0.00 0.00 175.35 175.48 3ilp n ASN 42 N 4.67 -4.16 0.00 1.43 3.02 0.38 -1.45 115.26 119.15 3ilp n ASN 42 Ca -0.20 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3ilp n ASN 42 Cb 0.50 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.27 3ilp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ilp n GLY 43 N -1.31 1.28 3.60 7.41 0.00 -1.26 -5.04 105.19 109.87 3ilp n GLY 43 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3ilp n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ilp s LYS 44 N -0.43 3.09 0.27 1.61 -0.14 -0.53 -5.02 119.74 118.59 3ilp s LYS 44 Ca 0.00 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 3ilp s LYS 44 Cb 0.00 -2.76 -0.11 0.00 -1.68 0.00 0.00 37.83 33.27 3ilp s LYS 44 CO 0.00 0.57 1.60 0.21 -0.76 0.00 0.00 175.35 176.97 3ilp s LYS 45 N -0.54 4.14 -0.10 1.68 2.20 -1.26 -0.21 119.74 125.65 3ilp s LYS 45 Ca 0.09 2.55 -0.21 0.00 -0.36 0.00 0.00 55.97 58.04 3ilp s LYS 45 Cb -0.12 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3ilp s LYS 45 CO 0.02 -0.63 0.59 0.42 -0.36 0.00 0.00 175.35 175.39 3ilp s ILE 46 N 0.19 5.11 0.14 5.43 1.01 0.62 -4.83 121.20 128.87 3ilp s ILE 46 Ca 0.65 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 62.48 3ilp s ILE 46 Cb -0.47 -3.93 -0.17 0.00 0.01 0.00 0.00 42.46 37.90 3ilp s ILE 46 CO 0.45 0.27 1.33 1.55 0.00 0.00 0.00 174.94 178.54 3ilp h PRO 47 N 6.81 0.29 -0.32 2.79 0.14 -1.94 -3.37 132.00 136.40 3ilp h PRO 47 Ca -0.40 -0.32 0.00 0.00 0.14 0.00 0.00 66.00 65.42 3ilp h PRO 47 Cb 1.18 0.09 0.00 0.00 0.14 0.00 0.00 31.00 32.42 3ilp h PRO 47 CO 0.76 1.03 0.00 1.63 0.14 0.00 0.00 178.00 181.56 3ilp n LYS 48 N -3.69 1.69 -1.71 0.86 4.01 -1.26 -4.97 118.16 113.10 3ilp n LYS 48 Ca -0.05 -0.98 -0.42 0.00 -0.51 0.00 0.00 58.31 56.35 3ilp n LYS 48 Cb 0.83 -1.26 -0.03 0.00 -0.51 0.00 0.00 35.03 34.07 3ilp n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3ilp s VAL 49 N -1.64 2.67 0.19 -0.18 1.01 -1.26 -4.97 120.40 116.22 3ilp s VAL 49 Ca 0.18 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 3ilp s VAL 49 Cb 0.10 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 3ilp s VAL 49 CO 0.12 -0.00 0.49 -1.61 0.00 0.00 0.00 175.10 174.10 3ilp s GLU 50 N 3.20 3.76 -0.01 2.72 0.41 -0.17 -4.91 118.70 123.69 3ilp s GLU 50 Ca 0.83 0.19 0.03 0.00 -0.41 0.00 0.00 54.97 55.60 3ilp s GLU 50 Cb -0.45 -2.74 -0.00 0.00 -1.78 0.00 0.00 34.13 29.16 3ilp s GLU 50 CO 0.38 0.38 -0.10 -1.64 -0.49 0.00 0.00 175.26 173.79 3ilp s MET 51 N -2.66 0.88 1.00 1.61 -1.94 -1.26 -0.99 119.30 115.93 3ilp s MET 51 Ca 0.44 -0.35 -0.12 0.00 -1.71 0.00 0.00 55.69 53.95 3ilp s MET 51 Cb -0.12 -0.84 0.19 0.00 2.01 0.00 0.00 34.83 36.07 3ilp s MET 51 CO 0.22 0.19 1.08 -1.54 -0.01 0.00 0.00 175.02 174.96 3ilp s SER 52 N -0.11 2.53 0.38 3.03 1.04 0.47 -4.98 113.70 116.06 3ilp s SER 52 Ca 0.02 1.42 -0.26 0.00 0.48 0.00 0.00 55.95 57.60 3ilp s SER 52 Cb -0.05 -2.10 -0.09 0.00 0.10 0.00 0.00 66.02 63.88 3ilp s SER 52 CO -0.00 -3.22 1.22 -1.81 0.98 0.00 0.00 173.24 170.41 3ilp s ASP 53 N -3.19 6.60 0.42 7.02 1.01 -1.26 -4.74 116.67 122.53 3ilp s ASP 53 Ca 0.65 2.48 -0.25 0.00 0.71 0.00 0.00 52.55 56.14 3ilp s ASP 53 Cb -0.20 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.02 3ilp s ASP 53 CO 0.59 -0.63 1.20 -0.32 0.21 0.00 0.00 175.17 176.21 3ilp s MET 54 N -2.10 3.96 0.07 8.23 1.75 -1.26 -4.79 119.30 125.15 3ilp s MET 54 Ca 0.54 1.90 0.01 0.00 -1.25 0.00 0.00 55.69 56.89 3ilp s MET 54 Cb -0.34 -2.63 -0.00 0.00 2.84 0.00 0.00 34.83 34.69 3ilp s MET 54 CO 0.44 -0.42 0.07 0.45 -0.65 0.00 0.00 175.02 174.91 3ilp n SER 55 N -0.05 -0.19 -3.93 1.11 2.88 -0.82 -5.01 113.62 107.61 3ilp n SER 55 Ca 0.05 -1.43 -0.10 0.00 -1.33 0.00 0.00 58.87 56.06 3ilp n SER 55 Cb 0.46 0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 64.23 3ilp n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3ilp s PHE 56 N -3.03 0.19 0.81 0.66 -0.12 -1.26 -1.03 117.98 114.20 3ilp s PHE 56 Ca 0.07 -0.44 -0.09 0.00 -0.05 0.00 0.00 56.93 56.42 3ilp s PHE 56 Cb 0.00 -0.14 0.13 0.00 -0.63 0.00 0.00 43.02 42.38 3ilp s PHE 56 CO 0.05 -0.31 1.14 -1.12 -0.05 0.00 0.00 175.22 174.93 3ilp s SER 57 N -1.85 4.06 0.42 1.98 0.01 0.25 -4.92 113.70 113.65 3ilp s SER 57 Ca -0.09 0.25 0.20 0.00 1.31 0.00 0.00 55.95 57.62 3ilp s SER 57 Cb -0.04 -0.61 1.14 0.00 0.21 0.00 0.00 66.02 66.73 3ilp s SER 57 CO -0.03 -2.10 1.81 0.11 0.41 0.00 0.00 173.24 173.44 3ilp h LYS 58 N -1.02 0.35 -0.22 12.44 1.57 -2.02 0.47 116.57 128.13 3ilp h LYS 58 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3ilp h LYS 58 Cb 1.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3ilp h LYS 58 CO 0.49 0.23 0.00 -0.40 -0.57 0.00 0.00 179.45 179.19 3ilp n ASP 59 N -4.53 1.39 0.00 0.86 5.68 -1.26 -4.90 116.55 113.78 3ilp n ASP 59 Ca 0.23 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 3ilp n ASP 59 Cb 0.83 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 3ilp n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3ilp n TRP 60 N 0.21 0.00 -2.36 2.11 7.02 0.16 -5.03 117.44 119.55 3ilp n TRP 60 Ca 0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.23 3ilp n TRP 60 Cb 0.24 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.11 3ilp n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ilp s SER 61 N -3.62 6.17 0.32 -0.99 1.04 -1.26 -4.63 113.70 110.73 3ilp s SER 61 Ca 0.00 2.16 -0.08 0.00 0.48 0.00 0.00 55.95 58.50 3ilp s SER 61 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 3ilp s SER 61 CO 0.00 -0.91 0.64 -0.36 0.98 0.00 0.00 173.24 173.59 3ilp s PHE 62 N -1.71 3.46 0.04 5.02 0.40 -0.72 -0.59 117.98 123.88 3ilp s PHE 62 Ca 0.66 0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 57.79 3ilp s PHE 62 Cb -0.24 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.01 3ilp s PHE 62 CO 0.29 0.09 0.06 1.52 0.70 0.00 0.00 175.22 177.88 3ilp s TYR 63 N -2.14 0.25 -0.17 0.36 -0.85 -0.20 -1.86 117.35 112.74 3ilp s TYR 63 Ca 0.47 -0.58 -0.19 0.00 -0.52 0.00 0.00 57.07 56.26 3ilp s TYR 63 Cb -0.11 -0.18 0.05 0.00 0.38 0.00 0.00 41.96 42.11 3ilp s TYR 63 CO 0.28 -0.34 0.52 -1.50 -1.52 0.00 0.00 175.55 172.99 3ilp s ILE 64 N -2.62 0.01 -0.21 -3.49 2.07 -0.44 -1.94 121.20 114.57 3ilp s ILE 64 Ca -0.05 -0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.09 3ilp s ILE 64 Cb -0.01 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 3ilp s ILE 64 CO -0.05 -0.03 0.01 -0.22 -1.91 0.00 0.00 174.94 172.75 3ilp s LEU 65 N -0.02 3.30 0.05 8.50 2.96 -1.26 -1.28 118.68 130.93 3ilp s LEU 65 Ca -0.02 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3ilp s LEU 65 Cb -0.03 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3ilp s LEU 65 CO 0.02 0.05 0.01 0.00 -1.32 0.00 0.00 176.35 175.11 3ilp s ALA 66 N 1.07 3.31 0.11 5.97 0.00 -0.08 -0.39 121.76 131.74 3ilp s ALA 66 Ca 0.02 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 3ilp s ALA 66 Cb -0.14 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.74 3ilp s ALA 66 CO 0.02 0.68 0.41 -3.38 0.00 0.00 0.00 175.76 173.50 3ilp s HIS 67 N -1.23 -0.24 -0.03 0.00 -3.43 -0.16 -0.23 115.29 109.98 3ilp s HIS 67 Ca 0.24 -0.00 -0.21 0.00 -0.80 0.00 0.00 55.06 54.28 3ilp s HIS 67 Cb -0.12 0.26 0.04 0.00 -1.43 0.00 0.00 32.58 31.34 3ilp s HIS 67 CO 0.15 -0.68 0.45 -0.08 -2.00 0.00 0.00 174.74 172.59 3ilp s THR 68 N -3.47 0.03 0.36 -5.38 -1.32 -0.62 -1.00 115.64 104.25 3ilp s THR 68 Ca 0.01 -0.29 -0.28 0.00 -1.21 0.00 0.00 61.69 59.92 3ilp s THR 68 Cb 0.01 -0.76 -0.10 0.00 -1.51 0.00 0.00 72.50 70.14 3ilp s THR 68 CO -0.10 -0.16 1.39 -1.61 -2.21 0.00 0.00 174.62 171.94 3ilp s GLU 69 N -1.25 4.18 0.07 7.08 2.02 -1.26 -0.75 118.70 128.79 3ilp s GLU 69 Ca -0.12 2.37 -0.19 0.00 0.02 0.00 0.00 54.97 57.05 3ilp s GLU 69 Cb -0.03 -2.98 0.04 0.00 0.10 0.00 0.00 34.13 31.26 3ilp s GLU 69 CO 0.06 -0.40 0.44 -0.59 0.02 0.00 0.00 175.26 174.80 3ilp s PHE 70 N -1.15 -0.30 -0.27 1.61 -0.71 -0.52 -4.82 117.98 111.83 3ilp s PHE 70 Ca 0.52 0.21 0.02 0.00 -1.04 0.00 0.00 56.93 56.64 3ilp s PHE 70 Cb -0.43 0.27 0.07 0.00 -1.21 0.00 0.00 43.02 41.73 3ilp s PHE 70 CO 0.57 -0.63 -0.04 0.99 -1.34 0.00 0.00 175.22 174.77 3ilp s THR 71 N -2.85 1.81 0.55 -4.49 2.01 -1.26 0.36 115.64 111.76 3ilp s THR 71 Ca -0.03 -1.59 -0.21 0.00 0.31 0.00 0.00 61.69 60.18 3ilp s THR 71 Cb -0.00 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 3ilp s THR 71 CO -0.05 -0.23 1.26 -2.16 -0.69 0.00 0.00 174.62 172.75 3ilp s PRO 72 N 1.23 3.19 0.25 4.92 0.04 -1.26 -4.80 135.00 138.57 3ilp s PRO 72 Ca -0.02 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.03 3ilp s PRO 72 Cb -0.19 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3ilp s PRO 72 CO -0.08 -1.08 0.14 0.95 0.04 0.00 0.00 177.00 176.97 3ilp s THR 73 N -1.45 0.25 0.43 1.26 -4.23 -1.26 -0.81 115.64 109.84 3ilp s THR 73 Ca 0.72 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.39 3ilp s THR 73 Cb -0.35 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.30 3ilp s THR 73 CO 0.40 0.00 1.93 -0.08 -0.54 0.00 0.00 174.62 176.33 3ilp h GLU 74 N 2.42 0.39 0.00 3.99 4.81 -1.96 -3.34 114.58 120.88 3ilp h GLU 74 Ca -0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3ilp h GLU 74 Cb 1.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3ilp h GLU 74 CO 0.54 0.26 -0.56 0.25 -0.73 0.00 0.00 179.01 178.77 3ilp n THR 75 N -4.47 0.00 -2.80 0.32 -2.24 -1.26 -5.02 114.28 98.81 3ilp n THR 75 Ca 0.13 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 3ilp n THR 75 Cb 0.51 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.43 3ilp n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ilp s ASP 76 N -1.68 7.46 -0.01 3.42 1.01 -1.25 -5.05 116.67 120.57 3ilp s ASP 76 Ca 0.00 1.74 -0.02 0.00 0.71 0.00 0.00 52.55 54.99 3ilp s ASP 76 Cb 0.02 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3ilp s ASP 76 CO 0.09 0.02 0.13 0.42 0.21 0.00 0.00 175.17 176.04 3ilp s THR 77 N -0.35 5.05 0.07 -1.27 -4.23 -1.26 -4.70 115.64 108.95 3ilp s THR 77 Ca 0.43 -0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.71 3ilp s THR 77 Cb -0.23 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.25 3ilp s THR 77 CO 0.29 0.35 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.23 3ilp s TYR 78 N -1.25 1.44 0.16 3.99 1.51 -1.26 -0.47 117.35 121.47 3ilp s TYR 78 Ca 0.25 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.80 3ilp s TYR 78 Cb -0.12 -0.82 -0.00 0.00 -0.11 0.00 0.00 41.96 40.91 3ilp s TYR 78 CO 0.16 0.09 0.29 0.00 -1.11 0.00 0.00 175.55 174.98 3ilp s ALA 79 N -1.08 -0.11 -0.09 3.71 0.00 -0.50 -0.96 121.76 122.73 3ilp s ALA 79 Ca 0.02 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3ilp s ALA 79 Cb -0.09 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.85 3ilp s ALA 79 CO 0.02 -0.64 -0.17 0.00 0.00 0.00 0.00 175.76 174.97 3ilp s ARG 81 N 0.62 2.58 -0.06 0.00 3.52 0.31 -1.09 118.95 124.82 3ilp s ARG 81 Ca -0.14 -0.78 0.04 0.00 -0.13 0.00 0.00 55.73 54.72 3ilp s ARG 81 Cb -0.16 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.19 3ilp s ARG 81 CO 0.04 0.20 -0.17 0.08 -0.81 0.00 0.00 175.30 174.65 3ilp s VAL 82 N 0.26 1.44 -0.09 7.11 1.01 -0.02 -0.55 120.40 129.56 3ilp s VAL 82 Ca -0.13 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3ilp s VAL 82 Cb -0.16 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3ilp s VAL 82 CO 0.06 0.42 -0.15 -0.54 0.00 0.00 0.00 175.10 174.90 3ilp s LYS 83 N 0.27 2.91 -0.12 2.72 1.02 -0.29 -1.68 119.74 124.56 3ilp s LYS 83 Ca -0.09 -0.71 -0.27 0.00 0.02 0.00 0.00 55.97 54.92 3ilp s LYS 83 Cb -0.14 -2.48 0.06 0.00 -0.52 0.00 0.00 37.83 34.76 3ilp s LYS 83 CO 0.04 0.42 0.65 -1.58 -0.92 0.00 0.00 175.35 173.95 3ilp s HIS 84 N -0.20 -0.65 0.58 3.18 2.46 -1.26 -1.70 115.29 117.70 3ilp s HIS 84 Ca 0.00 1.29 0.28 0.00 0.47 0.00 0.00 55.06 57.10 3ilp s HIS 84 Cb -0.13 0.33 1.56 0.00 -0.13 0.00 0.00 32.58 34.21 3ilp s HIS 84 CO 0.03 -0.50 2.03 0.00 -2.47 0.00 0.00 174.74 173.83 3ilp h ALA 85 N 3.80 2.01 0.00 1.58 0.00 -1.94 -1.97 119.26 122.73 3ilp h ALA 85 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ilp h ALA 85 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ilp h ALA 85 CO 0.28 -0.44 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 3ilp n SER 86 N -3.89 0.66 -4.09 0.00 3.41 -1.26 -4.68 113.62 103.77 3ilp n SER 86 Ca 0.04 0.66 -0.27 0.00 -0.26 0.00 0.00 58.87 59.05 3ilp n SER 86 Cb 0.45 -0.80 -0.17 0.00 -0.26 0.00 0.00 64.21 63.42 3ilp n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3ilp s MET 87 N -3.31 2.14 0.46 4.33 1.00 -0.74 -4.91 119.30 118.27 3ilp s MET 87 Ca 0.04 -0.56 0.24 0.00 0.00 0.00 0.00 55.69 55.41 3ilp s MET 87 Cb 0.09 -1.71 1.05 0.00 0.00 0.00 0.00 34.83 34.27 3ilp s MET 87 CO 0.39 0.07 1.89 0.00 0.00 0.00 0.00 175.02 177.37 3ilp h ALA 88 N 6.91 1.10 -4.25 3.03 0.00 -1.83 -3.43 119.26 120.79 3ilp h ALA 88 Ca -0.27 -0.19 -0.69 0.00 0.00 0.00 0.00 54.91 53.75 3ilp h ALA 88 Cb 1.20 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.70 3ilp h ALA 88 CO 0.47 0.27 -0.83 -2.00 0.00 0.00 0.00 179.25 177.16 3ilp s GLU 89 N -3.81 2.22 0.48 0.00 2.56 -1.26 -5.10 118.70 113.78 3ilp s GLU 89 Ca -0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 54.97 53.86 3ilp s GLU 89 Cb 0.11 -2.19 -0.07 0.00 2.00 0.00 0.00 34.13 33.98 3ilp s GLU 89 CO 0.63 0.58 1.37 -1.25 -0.56 0.00 0.00 175.26 176.02 3ilp s PRO 90 N -0.87 3.54 -0.20 4.30 0.04 -1.26 -4.88 135.00 135.67 3ilp s PRO 90 Ca 0.12 2.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.35 3ilp s PRO 90 Cb -0.10 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 3ilp s PRO 90 CO 0.01 -0.88 0.08 0.21 0.04 0.00 0.00 177.00 176.46 3ilp s LYS 91 N -2.60 3.97 -0.14 4.56 2.20 -0.68 -4.93 119.74 122.13 3ilp s LYS 91 Ca 0.64 -0.34 -0.01 0.00 -0.36 0.00 0.00 55.97 55.91 3ilp s LYS 91 Cb -0.41 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 3ilp s LYS 91 CO 0.51 0.19 -0.12 0.99 -0.36 0.00 0.00 175.35 176.56 3ilp s THR 92 N 0.62 3.13 -0.12 3.43 2.01 -1.26 -0.84 115.64 122.61 3ilp s THR 92 Ca 0.04 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.44 3ilp s THR 92 Cb -0.13 -2.33 0.01 0.00 0.01 0.00 0.00 72.50 70.06 3ilp s THR 92 CO 0.01 0.51 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.57 3ilp s VAL 93 N 0.47 1.80 0.12 3.82 1.01 -0.25 -4.97 120.40 122.40 3ilp s VAL 93 Ca -0.09 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 3ilp s VAL 93 Cb -0.16 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 3ilp s VAL 93 CO 0.04 0.50 0.52 -0.31 0.00 0.00 0.00 175.10 175.86 3ilp s TYR 94 N 0.84 3.62 0.15 5.22 1.51 -1.26 -0.37 117.35 127.06 3ilp s TYR 94 Ca -0.08 1.04 -0.31 0.00 -1.01 0.00 0.00 57.07 56.71 3ilp s TYR 94 Cb -0.15 -2.35 -0.09 0.00 -0.11 0.00 0.00 41.96 39.26 3ilp s TYR 94 CO -0.01 0.46 1.41 -0.46 -1.11 0.00 0.00 175.55 175.84 3ilp s TRP 95 N -1.41 3.19 -0.23 2.71 -0.00 -0.13 -4.89 118.94 118.18 3ilp s TRP 95 Ca 0.36 0.96 -0.03 0.00 -0.00 0.00 0.00 56.10 57.39 3ilp s TRP 95 Cb -0.15 -3.72 0.07 0.00 -0.00 0.00 0.00 33.47 29.67 3ilp s TRP 95 CO 0.19 -2.47 0.07 0.34 -0.00 0.00 0.00 176.95 175.07 3ilp s ASP 96 N 0.87 3.17 0.46 5.86 -1.08 -1.26 -4.72 116.67 119.98 3ilp s ASP 96 Ca 0.63 -1.03 0.12 0.00 -0.52 0.00 0.00 52.55 51.74 3ilp s ASP 96 Cb -0.38 -0.58 1.06 0.00 -1.46 0.00 0.00 42.92 41.55 3ilp s ASP 96 CO 0.33 -0.35 2.10 0.08 0.52 0.00 0.00 175.17 177.86 3ilp h ARG 97 N 8.25 0.28 0.00 4.34 0.11 -1.96 -2.18 114.38 123.22 3ilp h ARG 97 Ca -0.16 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.87 3ilp h ARG 97 Cb 1.09 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.10 3ilp h ARG 97 CO 0.37 0.18 -0.16 -0.44 0.10 0.00 0.00 179.97 180.03 3ilp h ASP 98 N 0.28 0.00 -0.02 0.08 3.32 -2.03 -3.50 116.42 114.55 3ilp h ASP 98 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ilp h ASP 98 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ilp h ASP 98 CO -0.02 0.16 0.00 0.23 -1.72 0.00 0.00 179.24 177.89