#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1z s GLN 2 N 0.00 0.22 -0.04 0.38 0.74 -1.26 -4.61 119.66 115.09 1p1z s GLN 2 Ca 0.00 -0.34 -0.13 0.00 0.05 0.00 0.00 55.36 54.94 1p1z s GLN 2 Cb 0.00 -1.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.01 1p1z s GLN 2 CO 0.00 -0.98 0.35 0.15 -0.55 0.00 0.00 175.29 174.26 1p1z s LYS 3 N 2.20 3.87 0.00 1.67 1.02 -0.66 -4.92 119.74 122.91 1p1z s LYS 3 Ca 0.09 0.28 -0.30 0.00 0.02 0.00 0.00 55.97 56.05 1p1z s LYS 3 Cb -0.15 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1p1z s LYS 3 CO -0.33 0.65 1.06 0.99 -0.92 0.00 0.00 175.35 176.80 1p1z s THR 4 N -0.86 4.58 1.00 2.17 2.01 -1.26 -2.32 115.64 120.96 1p1z s THR 4 Ca 0.21 1.86 -0.11 0.00 0.31 0.00 0.00 61.69 63.96 1p1z s THR 4 Cb -0.15 -4.19 0.17 0.00 0.01 0.00 0.00 72.50 68.34 1p1z s THR 4 CO 0.10 0.12 1.00 -0.81 -0.69 0.00 0.00 174.62 174.34 1p1z n PRO 5 N 4.14 -1.02 -3.56 4.92 -0.04 -1.26 -4.46 135.00 133.72 1p1z n PRO 5 Ca 0.07 -0.25 -0.27 0.00 -0.04 0.00 0.00 63.50 63.02 1p1z n PRO 5 Cb 0.49 -2.25 -0.10 0.00 -0.04 0.00 0.00 33.50 31.60 1p1z n PRO 5 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1p1z n GLN 6 N -4.11 1.16 -1.93 0.54 3.00 0.14 -4.87 117.38 111.32 1p1z n GLN 6 Ca 0.09 -3.86 -0.36 0.00 -0.01 0.00 0.00 57.00 52.85 1p1z n GLN 6 Cb 0.53 -1.92 0.04 0.00 0.00 0.00 0.00 30.24 28.89 1p1z n GLN 6 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1p1z s ILE 7 N -0.98 2.43 -0.30 5.09 1.09 -1.26 -2.99 121.20 124.28 1p1z s ILE 7 Ca 0.31 0.27 -0.13 0.00 -1.10 0.00 0.00 60.65 60.00 1p1z s ILE 7 Cb 0.04 -3.11 0.15 0.00 -1.06 0.00 0.00 42.46 38.48 1p1z s ILE 7 CO -0.16 -0.05 0.87 -1.10 -0.10 0.00 0.00 174.94 174.40 1p1z s GLN 8 N -3.30 0.39 -0.19 2.79 -0.21 -1.17 -4.98 119.66 112.99 1p1z s GLN 8 Ca 0.78 0.99 -0.07 0.00 0.02 0.00 0.00 55.36 57.08 1p1z s GLN 8 Cb -0.33 0.59 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 1p1z s GLN 8 CO 0.36 -0.14 0.05 0.08 -2.12 0.00 0.00 175.29 173.52 1p1z s VAL 9 N 2.62 4.57 0.18 1.09 1.01 -1.26 -1.24 120.40 127.38 1p1z s VAL 9 Ca -0.03 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 1p1z s VAL 9 Cb -0.08 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1p1z s VAL 9 CO -0.18 0.44 0.59 -0.72 0.00 0.00 0.00 175.10 175.23 1p1z s TYR 10 N 0.65 -0.39 0.31 5.22 -0.85 -0.82 -4.41 117.35 117.06 1p1z s TYR 10 Ca 0.03 0.10 0.01 0.00 -0.52 0.00 0.00 57.07 56.69 1p1z s TYR 10 Cb -0.13 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 1p1z s TYR 10 CO 0.02 -0.91 0.49 -1.54 -1.52 0.00 0.00 175.55 172.09 1p1z s SER 11 N -2.80 6.32 0.34 -0.18 1.04 -1.26 -0.39 113.70 116.77 1p1z s SER 11 Ca 0.04 0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.95 1p1z s SER 11 Cb -0.02 -2.00 0.63 0.00 0.10 0.00 0.00 66.02 64.73 1p1z s SER 11 CO -0.08 -0.21 1.79 -0.09 0.98 0.00 0.00 173.24 175.62 1p1z h ARG 12 N 1.02 0.10 -4.56 4.02 2.43 -1.50 -3.45 114.38 112.44 1p1z h ARG 12 Ca -0.50 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.43 1p1z h ARG 12 Cb 1.22 -0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.61 1p1z h ARG 12 CO 0.62 0.46 -0.69 -1.01 -1.51 0.00 0.00 179.97 177.84 1p1z s HIS 13 N -4.21 0.83 0.29 2.20 3.76 -1.26 -5.05 115.29 111.85 1p1z s HIS 13 Ca -0.04 -0.97 -0.30 0.00 -0.15 0.00 0.00 55.06 53.60 1p1z s HIS 13 Cb 0.14 -0.50 -0.12 0.00 1.11 0.00 0.00 32.58 33.21 1p1z s HIS 13 CO 0.74 -0.22 1.45 -0.35 -0.85 0.00 0.00 174.74 175.51 1p1z n PRO 14 N -0.03 2.31 -2.22 8.40 -0.04 -1.26 -4.88 135.00 137.28 1p1z n PRO 14 Ca -0.12 0.82 -0.42 0.00 -0.04 0.00 0.00 63.50 63.74 1p1z n PRO 14 Cb 0.61 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 1p1z n PRO 14 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1p1z s PRO 15 N -0.85 4.31 -0.29 0.54 0.04 -1.26 -4.92 135.00 132.57 1p1z s PRO 15 Ca 0.63 1.99 0.10 0.00 0.04 0.00 0.00 61.00 63.76 1p1z s PRO 15 Cb -0.57 -3.46 0.54 0.00 0.04 0.00 0.00 34.50 31.05 1p1z s PRO 15 CO 0.53 -0.51 1.52 0.39 0.04 0.00 0.00 177.00 178.97 1p1z n GLU 16 N 4.82 2.15 -1.54 4.56 1.02 -1.26 -5.08 120.64 125.31 1p1z n GLU 16 Ca 0.12 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 1p1z n GLU 16 Cb 0.43 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1p1z n GLU 16 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1p1z n ASN 17 N -0.98 -5.20 -2.98 1.62 2.85 -1.26 -4.13 115.26 105.18 1p1z n ASN 17 Ca 0.34 0.94 -0.12 0.00 -0.11 0.00 0.00 54.58 55.62 1p1z n ASN 17 Cb 1.09 -3.60 -0.02 0.00 1.24 0.00 0.00 39.78 38.49 1p1z n ASN 17 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1p1z n GLY 18 N -0.35 -0.48 2.86 8.20 0.00 1.35 -4.87 105.19 111.90 1p1z n GLY 18 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1p1z n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p1z s LYS 19 N -5.54 0.92 0.15 1.61 2.47 -1.26 -4.98 119.74 113.11 1p1z s LYS 19 Ca 0.20 -0.07 -0.34 0.00 -1.56 0.00 0.00 55.97 54.20 1p1z s LYS 19 Cb -0.12 -1.05 -0.15 0.00 -1.46 0.00 0.00 37.83 35.05 1p1z s LYS 19 CO 0.25 -0.19 1.38 -2.30 0.16 0.00 0.00 175.35 174.65 1p1z n PRO 20 N 4.61 1.56 -4.15 4.03 -0.02 -1.26 -3.86 135.00 135.90 1p1z n PRO 20 Ca -0.16 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1p1z n PRO 20 Cb 0.50 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 1p1z n PRO 20 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1p1z s ASN 21 N 0.46 0.40 -0.27 2.55 -0.87 2.51 -4.91 114.94 114.80 1p1z s ASN 21 Ca 0.78 -1.34 0.02 0.00 -1.57 0.00 0.00 52.86 50.75 1p1z s ASN 21 Cb -0.81 0.49 0.08 0.00 -0.02 0.00 0.00 41.25 40.98 1p1z s ASN 21 CO 0.46 -1.00 -0.02 -0.63 -2.57 0.00 0.00 177.10 173.34 1p1z s ILE 22 N -3.88 1.72 0.47 0.60 1.01 -1.26 0.31 121.20 120.17 1p1z s ILE 22 Ca 0.34 -1.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.18 1p1z s ILE 22 Cb 0.04 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 40.37 1p1z s ILE 22 CO 0.14 -0.29 1.23 -0.22 0.00 0.00 0.00 174.94 175.80 1p1z s LEU 23 N 1.26 4.01 -0.16 2.97 2.96 -0.83 -1.22 118.68 127.68 1p1z s LEU 23 Ca -0.00 2.47 -0.02 0.00 -0.22 0.00 0.00 54.13 56.35 1p1z s LEU 23 Cb -0.19 -4.19 0.05 0.00 0.50 0.00 0.00 46.19 42.36 1p1z s LEU 23 CO -0.09 -1.05 0.02 0.20 -1.32 0.00 0.00 176.35 174.11 1p1z s ASN 24 N -1.16 2.58 -0.42 3.68 0.01 0.48 -2.99 114.94 117.12 1p1z s ASN 24 Ca 0.64 -0.63 -0.11 0.00 -0.71 0.00 0.00 52.86 52.05 1p1z s ASN 24 Cb -0.33 -0.59 0.06 0.00 0.41 0.00 0.00 41.25 40.80 1p1z s ASN 24 CO 0.40 -0.27 0.28 0.00 -1.51 0.00 0.00 177.10 176.00 1p1z s TYR 26 N 1.51 3.35 0.05 0.00 5.04 -0.37 -0.94 117.35 125.99 1p1z s TYR 26 Ca 0.03 -1.50 -0.22 0.00 -2.44 0.00 0.00 57.07 52.94 1p1z s TYR 26 Cb -0.22 -3.74 -0.06 0.00 0.35 0.00 0.00 41.96 38.28 1p1z s TYR 26 CO 0.04 -1.01 0.67 0.08 -1.34 0.00 0.00 175.55 174.00 1p1z s VAL 27 N 1.36 4.74 0.28 3.14 1.01 -0.73 -3.06 120.40 127.14 1p1z s VAL 27 Ca 0.05 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 1p1z s VAL 27 Cb -0.27 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1p1z s VAL 27 CO 0.01 0.44 0.31 0.42 0.00 0.00 0.00 175.10 176.27 1p1z s THR 28 N -0.43 0.00 -0.89 3.92 -4.23 -1.16 -2.07 115.64 110.78 1p1z s THR 28 Ca 0.34 -1.81 -0.16 0.00 -1.18 0.00 0.00 61.69 58.87 1p1z s THR 28 Cb -0.20 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.17 1p1z s THR 28 CO 0.21 0.00 0.55 0.00 -0.54 0.00 0.00 174.62 174.84 1p1z n GLN 29 N -0.45 -0.79 -4.19 3.99 6.02 -1.23 0.28 117.38 121.01 1p1z n GLN 29 Ca 0.03 0.28 -0.11 0.00 -0.01 0.00 0.00 57.00 57.18 1p1z n GLN 29 Cb 0.63 -1.92 -0.10 0.00 1.02 0.00 0.00 30.24 29.87 1p1z n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1p1z s PHE 30 N -3.32 0.98 -0.16 1.08 -0.12 -1.18 -4.11 117.98 111.14 1p1z s PHE 30 Ca 0.23 -0.99 -0.23 0.00 -0.05 0.00 0.00 56.93 55.90 1p1z s PHE 30 Cb -0.13 -0.56 0.06 0.00 -0.63 0.00 0.00 43.02 41.76 1p1z s PHE 30 CO 0.81 -0.22 0.59 -1.58 -0.05 0.00 0.00 175.22 174.77 1p1z s HIS 31 N -3.69 -0.60 1.00 3.49 2.46 -0.98 -1.23 115.29 115.74 1p1z s HIS 31 Ca 0.17 1.34 -0.17 0.00 0.47 0.00 0.00 55.06 56.87 1p1z s HIS 31 Cb 0.06 0.25 0.24 0.00 -0.13 0.00 0.00 32.58 33.00 1p1z s HIS 31 CO -0.02 -0.39 1.07 -0.35 -2.47 0.00 0.00 174.74 172.58 1p1z n PRO 32 N 2.15 -2.14 0.22 2.88 -0.04 -1.26 -1.65 135.00 135.16 1p1z n PRO 32 Ca -0.16 -1.68 0.07 0.00 -0.04 0.00 0.00 63.50 61.69 1p1z n PRO 32 Cb 0.56 -1.36 0.50 0.00 -0.04 0.00 0.00 33.50 33.17 1p1z n PRO 32 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1p1z h PRO 33 N 0.00 0.00 -7.00 0.54 0.13 -1.98 -3.44 132.00 120.25 1p1z h PRO 33 Ca -0.38 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.22 1p1z h PRO 33 Cb 1.09 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.33 1p1z h PRO 33 CO 0.25 0.26 0.63 -1.01 -0.23 0.00 0.00 178.00 177.90 1p1z s HIS 34 N -4.12 2.54 0.00 1.56 3.76 -1.26 -4.98 115.29 112.78 1p1z s HIS 34 Ca -0.02 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1p1z s HIS 34 Cb 0.13 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 30.06 1p1z s HIS 34 CO 0.66 -2.56 0.00 1.51 -0.85 0.00 0.00 174.74 173.50 1p1z n ILE 35 N -0.41 0.00 -4.15 0.60 0.13 -1.26 -4.78 119.36 109.48 1p1z n ILE 35 Ca 0.07 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.37 1p1z n ILE 35 Cb 0.44 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.14 1p1z n ILE 35 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 1p1z s GLU 36 N 0.00 3.82 -0.27 9.51 -1.05 -1.18 -5.02 118.70 124.51 1p1z s GLU 36 Ca 0.00 -0.40 -0.04 0.00 -0.15 0.00 0.00 54.97 54.38 1p1z s GLU 36 Cb 0.00 -3.09 0.02 0.00 -0.44 0.00 0.00 34.13 30.62 1p1z s GLU 36 CO 0.00 0.30 0.00 0.42 0.95 0.00 0.00 175.26 176.93 1p1z s ILE 37 N 0.27 3.28 -0.02 1.83 -1.09 -1.26 -2.47 121.20 121.74 1p1z s ILE 37 Ca 0.01 -0.98 -0.27 0.00 -2.23 0.00 0.00 60.65 57.19 1p1z s ILE 37 Cb -0.13 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1p1z s ILE 37 CO 0.01 0.10 0.84 -1.10 -1.23 0.00 0.00 174.94 173.57 1p1z s GLN 38 N 1.37 4.51 -0.39 2.79 -1.52 0.85 -4.93 119.66 122.34 1p1z s GLN 38 Ca 0.00 1.17 -0.05 0.00 -1.95 0.00 0.00 55.36 54.53 1p1z s GLN 38 Cb -0.17 -3.44 0.09 0.00 -0.22 0.00 0.00 33.01 29.26 1p1z s GLN 38 CO -0.01 0.03 0.19 -1.64 -0.25 0.00 0.00 175.29 173.61 1p1z s MET 39 N 0.80 2.30 0.31 2.91 -1.94 -1.26 -0.66 119.30 121.76 1p1z s MET 39 Ca 0.45 -1.60 0.05 0.00 -1.71 0.00 0.00 55.69 52.89 1p1z s MET 39 Cb -0.20 -3.59 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 1p1z s MET 39 CO 0.24 -0.95 0.45 -0.51 -0.01 0.00 0.00 175.02 174.23 1p1z s LEU 40 N 1.27 4.07 -0.34 -0.03 1.43 -1.10 0.14 118.68 124.11 1p1z s LEU 40 Ca 0.04 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1p1z s LEU 40 Cb -0.22 -2.83 0.15 0.00 0.03 0.00 0.00 46.19 43.31 1p1z s LEU 40 CO -0.01 -0.32 0.34 -0.75 0.23 0.00 0.00 176.35 175.83 1p1z s LYS 41 N -4.14 0.52 -0.67 1.70 2.20 0.12 -3.61 119.74 115.87 1p1z s LYS 41 Ca 0.41 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.41 1p1z s LYS 41 Cb -0.09 -0.71 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 1p1z s LYS 41 CO 0.31 -1.13 0.65 0.09 -0.36 0.00 0.00 175.35 174.91 1p1z n ASN 42 N 4.65 -7.55 0.00 1.43 4.13 -0.65 -1.93 115.26 115.33 1p1z n ASN 42 Ca 0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1p1z n ASN 42 Cb 0.45 -5.12 0.00 0.00 -1.54 0.00 0.00 39.78 33.57 1p1z n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p1z n GLY 43 N -1.56 0.00 3.69 7.41 0.00 -1.26 -4.83 105.19 108.64 1p1z n GLY 43 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1p1z n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p1z n LYS 44 N 0.00 2.69 -2.14 1.61 5.02 -0.81 -4.85 118.16 119.68 1p1z n LYS 44 Ca 0.00 0.98 -0.40 0.00 -2.02 0.00 0.00 58.31 56.87 1p1z n LYS 44 Cb 0.00 -2.85 -0.02 0.00 -0.02 0.00 0.00 35.03 32.15 1p1z n LYS 44 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1p1z s LYS 45 N 2.40 4.21 -0.18 1.97 2.20 -1.26 0.15 119.74 129.23 1p1z s LYS 45 Ca 0.81 2.13 -0.11 0.00 -0.36 0.00 0.00 55.97 58.45 1p1z s LYS 45 Cb -0.52 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1p1z s LYS 45 CO 0.38 -0.28 0.17 0.42 -0.36 0.00 0.00 175.35 175.68 1p1z s ILE 46 N -1.21 5.39 0.00 5.43 1.01 0.36 -4.84 121.20 127.34 1p1z s ILE 46 Ca 0.52 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.45 1p1z s ILE 46 Cb -0.38 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1p1z s ILE 46 CO 0.49 0.45 0.36 -2.65 0.00 0.00 0.00 174.94 173.59 1p1z n PRO 47 N 3.37 0.00 -2.22 2.79 -0.02 -1.26 -4.56 135.00 133.10 1p1z n PRO 47 Ca -0.15 0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 1p1z n PRO 47 Cb 0.52 -0.86 -0.03 0.00 -0.02 0.00 0.00 33.50 33.12 1p1z n PRO 47 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1p1z s LYS 48 N -0.72 4.41 -0.29 -0.52 2.47 -1.26 -4.95 119.74 118.88 1p1z s LYS 48 Ca 0.00 2.07 0.01 0.00 -1.56 0.00 0.00 55.97 56.49 1p1z s LYS 48 Cb 0.00 -3.16 0.19 0.00 -1.46 0.00 0.00 37.83 33.40 1p1z s LYS 48 CO 0.00 -0.19 0.71 0.54 0.16 0.00 0.00 175.35 176.58 1p1z s VAL 49 N -0.35 -0.80 0.47 4.02 0.11 -1.26 -4.90 120.40 117.69 1p1z s VAL 49 Ca 0.53 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.35 1p1z s VAL 49 Cb -0.37 -0.83 -0.07 0.00 -1.53 0.00 0.00 36.38 33.58 1p1z s VAL 49 CO 0.42 0.00 1.27 -1.61 -3.33 0.00 0.00 175.10 171.85 1p1z s GLU 50 N 2.87 3.63 0.00 1.54 2.02 -0.97 -4.83 118.70 122.95 1p1z s GLU 50 Ca 0.15 2.04 0.00 0.00 0.02 0.00 0.00 54.97 57.18 1p1z s GLU 50 Cb -0.09 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1p1z s GLU 50 CO -0.24 -0.73 0.00 -1.33 0.02 0.00 0.00 175.26 172.97 1p1z n MET 51 N -0.46 3.94 -0.56 1.61 2.81 -1.26 -1.10 117.12 122.10 1p1z n MET 51 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1p1z n MET 51 Cb 0.46 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.97 1p1z n MET 51 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1p1z n SER 52 N 0.00 0.00 0.00 7.83 3.41 -1.25 -4.83 113.62 118.78 1p1z n SER 52 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1p1z n SER 52 Cb 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1p1z n SER 52 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p1z n SER 55 N -0.85 0.00 -4.20 4.04 3.41 -1.11 -4.49 113.62 110.42 1p1z n SER 55 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1p1z n SER 55 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1p1z n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1p1z s PHE 56 N -2.50 1.59 0.99 7.33 -0.12 -1.26 0.17 117.98 124.19 1p1z s PHE 56 Ca 0.00 -0.34 -0.16 0.00 -0.05 0.00 0.00 56.93 56.38 1p1z s PHE 56 Cb 0.00 -0.97 0.21 0.00 -0.63 0.00 0.00 43.02 41.63 1p1z s PHE 56 CO 0.00 0.04 1.27 -1.54 -0.05 0.00 0.00 175.22 174.94 1p1z s SER 57 N -0.91 2.82 0.58 1.98 1.04 -0.06 -4.83 113.70 114.33 1p1z s SER 57 Ca 0.06 0.39 0.28 0.00 0.48 0.00 0.00 55.95 57.16 1p1z s SER 57 Cb -0.08 -0.51 1.51 0.00 0.10 0.00 0.00 66.02 67.04 1p1z s SER 57 CO 0.01 -2.93 1.96 0.07 0.98 0.00 0.00 173.24 173.33 1p1z h LYS 58 N -1.77 0.00 -0.78 4.02 2.10 -2.02 0.26 116.57 118.38 1p1z h LYS 58 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1p1z h LYS 58 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1p1z h LYS 58 CO 0.40 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.45 1p1z n ASP 59 N -3.83 2.07 0.00 7.07 3.85 -1.26 -4.86 116.55 119.60 1p1z n ASP 59 Ca 0.07 -2.21 0.00 0.00 -0.71 0.00 0.00 54.79 51.94 1p1z n ASP 59 Cb 0.59 -0.49 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1p1z n ASP 59 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1p1z n TRP 60 N 0.15 0.00 -2.10 2.11 5.03 0.90 -4.97 117.44 118.56 1p1z n TRP 60 Ca 0.07 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.18 1p1z n TRP 60 Cb 0.45 -0.25 -0.03 0.00 -1.03 0.00 0.00 31.31 30.45 1p1z n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1p1z s SER 61 N -3.43 6.75 -0.15 -0.99 1.04 -1.26 -4.70 113.70 110.97 1p1z s SER 61 Ca 0.00 2.33 -0.29 0.00 0.48 0.00 0.00 55.95 58.46 1p1z s SER 61 Cb 0.00 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 1p1z s SER 61 CO 0.00 -0.75 1.18 -0.36 0.98 0.00 0.00 173.24 174.29 1p1z s PHE 62 N 1.90 3.09 0.23 5.02 0.40 -0.36 -0.88 117.98 127.39 1p1z s PHE 62 Ca 0.67 1.21 0.07 0.00 -0.60 0.00 0.00 56.93 58.28 1p1z s PHE 62 Cb -0.37 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 39.72 1p1z s PHE 62 CO 0.30 -1.22 0.12 0.71 0.70 0.00 0.00 175.22 175.83 1p1z s TYR 63 N 2.99 3.00 -0.09 0.36 1.51 0.46 -3.13 117.35 122.46 1p1z s TYR 63 Ca 0.52 -0.12 -0.31 0.00 -1.01 0.00 0.00 57.07 56.15 1p1z s TYR 63 Cb -0.21 -1.37 0.09 0.00 -0.11 0.00 0.00 41.96 40.36 1p1z s TYR 63 CO 0.15 0.54 0.78 -1.50 -1.11 0.00 0.00 175.55 174.41 1p1z s ILE 64 N -2.07 0.00 -0.03 2.71 1.10 -0.88 -2.75 121.20 119.30 1p1z s ILE 64 Ca 0.32 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.48 1p1z s ILE 64 Cb -0.08 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.53 1p1z s ILE 64 CO 0.23 0.00 -0.08 -0.22 -2.11 0.00 0.00 174.94 172.76 1p1z s LEU 65 N -1.15 1.75 -0.04 8.50 2.96 -1.26 -1.77 118.68 127.67 1p1z s LEU 65 Ca -0.08 -0.17 0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1p1z s LEU 65 Cb -0.00 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 46.16 1p1z s LEU 65 CO 0.07 0.05 -0.20 0.00 -1.32 0.00 0.00 176.35 174.95 1p1z s ALA 66 N 0.26 2.43 -0.04 5.97 0.00 -0.11 -3.87 121.76 126.39 1p1z s ALA 66 Ca -0.04 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1p1z s ALA 66 Cb -0.09 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.29 1p1z s ALA 66 CO 0.00 0.54 0.09 -3.38 0.00 0.00 0.00 175.76 173.01 1p1z s HIS 67 N -0.67 -0.06 -0.03 0.00 -3.43 -0.26 -0.84 115.29 110.01 1p1z s HIS 67 Ca 0.11 0.31 0.01 0.00 -0.80 0.00 0.00 55.06 54.68 1p1z s HIS 67 Cb -0.10 -0.20 0.02 0.00 -1.43 0.00 0.00 32.58 30.87 1p1z s HIS 67 CO -0.00 -0.14 -0.02 -0.08 -2.00 0.00 0.00 174.74 172.50 1p1z s THR 68 N 1.30 0.29 0.76 -5.38 -1.32 -1.16 -2.30 115.64 107.83 1p1z s THR 68 Ca -0.07 -0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.25 1p1z s THR 68 Cb -0.12 -0.35 0.06 0.00 -1.51 0.00 0.00 72.50 70.57 1p1z s THR 68 CO -0.04 0.16 1.24 -0.70 -2.21 0.00 0.00 174.62 173.06 1p1z s GLU 69 N 0.81 1.89 0.05 7.08 2.12 -1.26 -1.95 118.70 127.44 1p1z s GLU 69 Ca -0.09 1.87 -0.28 0.00 0.36 0.00 0.00 54.97 56.83 1p1z s GLU 69 Cb -0.12 -1.79 0.09 0.00 0.26 0.00 0.00 34.13 32.57 1p1z s GLU 69 CO -0.01 -2.05 1.03 -0.59 -0.54 0.00 0.00 175.26 173.10 1p1z s PHE 70 N -1.90 -0.16 -0.06 5.30 -0.71 0.93 -4.77 117.98 116.62 1p1z s PHE 70 Ca 0.76 -0.04 -0.00 0.00 -1.04 0.00 0.00 56.93 56.61 1p1z s PHE 70 Cb -0.32 0.59 0.03 0.00 -1.21 0.00 0.00 43.02 42.10 1p1z s PHE 70 CO 0.47 -0.60 -0.01 -0.08 -1.34 0.00 0.00 175.22 173.67 1p1z s THR 71 N -3.00 0.38 0.26 -4.49 -1.32 -1.26 0.60 115.64 106.81 1p1z s THR 71 Ca 0.11 0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.34 1p1z s THR 71 Cb 0.00 -0.49 -0.10 0.00 -1.51 0.00 0.00 72.50 70.40 1p1z s THR 71 CO -0.02 0.23 1.42 -2.16 -2.21 0.00 0.00 174.62 171.88 1p1z s PRO 72 N 1.51 4.28 0.00 7.08 0.04 -1.25 -4.72 135.00 141.94 1p1z s PRO 72 Ca -0.02 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1p1z s PRO 72 Cb -0.13 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1p1z s PRO 72 CO -0.03 -0.39 0.00 2.41 0.04 0.00 0.00 177.00 179.03 1p1z n THR 73 N 2.09 0.00 -1.53 1.26 -1.04 -1.26 0.41 114.28 114.21 1p1z n THR 73 Ca 0.06 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.10 1p1z n THR 73 Cb 0.40 -0.70 0.05 0.00 -1.82 0.00 0.00 70.33 68.27 1p1z n THR 73 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1p1z n GLU 74 N -0.59 0.58 0.00 -2.82 0.28 -1.26 -4.77 120.64 112.06 1p1z n GLU 74 Ca 0.00 -1.57 0.00 0.00 -0.16 0.00 0.00 57.16 55.43 1p1z n GLU 74 Cb 0.00 -0.88 0.00 0.00 1.43 0.00 0.00 31.44 31.99 1p1z n GLU 74 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1p1z n THR 75 N -0.54 0.00 -0.90 3.84 5.66 -1.26 -5.13 114.28 115.94 1p1z n THR 75 Ca 0.06 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 1p1z n THR 75 Cb 0.65 -0.24 0.23 0.00 -1.55 0.00 0.00 70.33 69.43 1p1z n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1p1z s ASP 76 N -3.45 1.00 0.19 1.09 1.11 -1.26 -5.06 116.67 110.29 1p1z s ASP 76 Ca 0.00 0.94 -0.15 0.00 0.18 0.00 0.00 52.55 53.52 1p1z s ASP 76 Cb 0.00 -1.40 0.02 0.00 1.07 0.00 0.00 42.92 42.60 1p1z s ASP 76 CO 0.00 -4.11 0.47 0.42 1.18 0.00 0.00 175.17 173.13 1p1z s THR 77 N -2.79 0.03 0.05 -1.27 -4.23 -1.26 -4.70 115.64 101.47 1p1z s THR 77 Ca 0.69 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1p1z s THR 77 Cb -0.15 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 1p1z s THR 77 CO 0.58 -0.15 0.07 -0.31 -0.54 0.00 0.00 174.62 174.28 1p1z s TYR 78 N -3.91 0.28 0.32 3.99 1.51 -1.26 -1.64 117.35 116.64 1p1z s TYR 78 Ca 0.12 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.36 1p1z s TYR 78 Cb -0.00 -0.20 0.02 0.00 -0.11 0.00 0.00 41.96 41.68 1p1z s TYR 78 CO -0.01 -0.40 0.65 0.00 -1.11 0.00 0.00 175.55 174.68 1p1z s ALA 79 N -3.19 -0.55 -0.08 3.71 0.00 -1.24 0.56 121.76 120.97 1p1z s ALA 79 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1p1z s ALA 79 Cb 0.02 0.89 0.00 0.00 0.00 0.00 0.00 23.12 24.03 1p1z s ALA 79 CO -0.07 -0.94 -0.20 0.00 0.00 0.00 0.00 175.76 174.54 1p1z s ARG 81 N 0.39 3.03 -0.00 0.00 3.52 0.17 -1.07 118.95 124.98 1p1z s ARG 81 Ca -0.16 -0.88 0.04 0.00 -0.13 0.00 0.00 55.73 54.60 1p1z s ARG 81 Cb -0.17 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 29.99 1p1z s ARG 81 CO 0.07 -0.40 -0.10 0.08 -0.81 0.00 0.00 175.30 174.13 1p1z s VAL 82 N 1.43 3.39 -0.05 7.11 1.01 0.14 0.29 120.40 133.73 1p1z s VAL 82 Ca 0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1p1z s VAL 82 Cb -0.17 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1p1z s VAL 82 CO -0.01 0.42 0.02 -0.75 0.00 0.00 0.00 175.10 174.79 1p1z s LYS 83 N -1.29 0.28 0.14 2.72 2.20 -1.03 -0.92 119.74 121.84 1p1z s LYS 83 Ca 0.15 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1p1z s LYS 83 Cb -0.11 -0.65 -0.04 0.00 -1.51 0.00 0.00 37.83 35.52 1p1z s LYS 83 CO 0.06 -0.26 0.03 -1.58 -0.36 0.00 0.00 175.35 173.24 1p1z s HIS 84 N 1.72 0.97 -1.97 4.03 2.46 -1.26 -3.09 115.29 118.14 1p1z s HIS 84 Ca -0.00 -1.14 0.29 0.00 0.47 0.00 0.00 55.06 54.68 1p1z s HIS 84 Cb -0.13 -0.56 1.74 0.00 -0.13 0.00 0.00 32.58 33.50 1p1z s HIS 84 CO -0.03 -0.39 2.08 -3.47 -2.47 0.00 0.00 174.74 170.46 1p1z n ASP 85 N -0.14 0.00 0.08 9.88 2.03 -1.26 -2.72 116.55 124.42 1p1z n ASP 85 Ca -0.07 -0.88 0.12 0.00 0.52 0.00 0.00 54.79 54.48 1p1z n ASP 85 Cb 0.63 -0.01 0.10 0.00 -0.72 0.00 0.00 41.12 41.12 1p1z n ASP 85 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1p1z h SER 86 N 0.00 0.00 -4.15 1.67 4.64 -1.85 -3.45 113.55 110.41 1p1z h SER 86 Ca 0.00 -0.13 -0.69 0.00 -0.47 0.00 0.00 61.79 60.50 1p1z h SER 86 Cb 0.01 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.79 1p1z h SER 86 CO 0.00 0.06 -0.88 -0.04 -0.87 0.00 0.00 176.83 175.10 1p1z s MET 87 N -3.24 2.43 0.13 4.77 -1.94 -1.10 -4.88 119.30 115.46 1p1z s MET 87 Ca 0.04 -0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 52.82 1p1z s MET 87 Cb 0.11 -2.12 -0.05 0.00 2.01 0.00 0.00 34.83 34.79 1p1z s MET 87 CO 0.75 0.42 1.58 0.00 -0.01 0.00 0.00 175.02 177.75 1p1z h ALA 88 N 5.94 -0.59 -1.76 3.03 0.00 -1.88 -3.42 119.26 120.57 1p1z h ALA 88 Ca -0.34 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.99 1p1z h ALA 88 Cb 1.16 0.81 -0.13 0.00 0.00 0.00 0.00 17.79 19.63 1p1z h ALA 88 CO 0.47 -0.93 -0.60 -1.21 0.00 0.00 0.00 179.25 176.98 1p1z s GLU 89 N -5.87 1.85 0.56 0.00 2.02 -1.26 -5.05 118.70 110.95 1p1z s GLU 89 Ca -0.15 -2.05 -0.21 0.00 0.02 0.00 0.00 54.97 52.58 1p1z s GLU 89 Cb 0.09 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.94 1p1z s GLU 89 CO 0.64 -0.12 1.21 -2.30 0.02 0.00 0.00 175.26 174.71 1p1z n PRO 90 N -0.87 1.37 -4.40 0.39 -0.02 -1.26 -4.86 135.00 125.35 1p1z n PRO 90 Ca -0.04 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 1p1z n PRO 90 Cb 0.67 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 1p1z n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1p1z s LYS 91 N -2.82 3.58 -0.03 -0.52 2.47 -0.09 -4.96 119.74 117.36 1p1z s LYS 91 Ca 0.73 -0.56 0.06 0.00 -1.56 0.00 0.00 55.97 54.64 1p1z s LYS 91 Cb -0.43 -2.89 -0.02 0.00 -1.46 0.00 0.00 37.83 33.04 1p1z s LYS 91 CO 0.48 0.17 -0.21 0.99 0.16 0.00 0.00 175.35 176.94 1p1z s THR 92 N 0.53 2.44 -0.25 3.43 2.01 -1.26 -0.69 115.64 121.85 1p1z s THR 92 Ca -0.04 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.99 1p1z s THR 92 Cb -0.15 -1.90 0.08 0.00 0.01 0.00 0.00 72.50 70.55 1p1z s THR 92 CO 0.03 0.58 0.04 -0.69 -0.69 0.00 0.00 174.62 173.90 1p1z s VAL 93 N -0.62 0.91 0.45 3.82 1.01 -0.24 -4.95 120.40 120.79 1p1z s VAL 93 Ca 0.09 -1.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 1p1z s VAL 93 Cb -0.11 -1.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 1p1z s VAL 93 CO -0.00 -0.39 1.32 -0.31 0.00 0.00 0.00 175.10 175.72 1p1z s TYR 94 N 1.65 2.63 0.17 5.22 2.02 -1.26 -1.80 117.35 125.98 1p1z s TYR 94 Ca 0.03 1.39 -0.31 0.00 -0.37 0.00 0.00 57.07 57.81 1p1z s TYR 94 Cb -0.18 -3.71 -0.09 0.00 -0.40 0.00 0.00 41.96 37.59 1p1z s TYR 94 CO -0.15 -2.36 1.42 -0.46 -1.57 0.00 0.00 175.55 172.43 1p1z s TRP 95 N -1.30 3.16 -0.84 2.71 -0.00 0.19 -4.89 118.94 117.97 1p1z s TRP 95 Ca 0.62 0.95 0.01 0.00 -0.00 0.00 0.00 56.10 57.68 1p1z s TRP 95 Cb -0.38 -3.75 0.32 0.00 -0.00 0.00 0.00 33.47 29.66 1p1z s TRP 95 CO 0.48 -2.56 1.38 -3.47 -0.00 0.00 0.00 176.95 172.78 1p1z n ASP 96 N 3.35 5.93 -0.15 5.86 2.03 -1.26 -4.84 116.55 127.46 1p1z n ASP 96 Ca 0.10 -3.64 0.01 0.00 0.52 0.00 0.00 54.79 51.78 1p1z n ASP 96 Cb 0.41 -0.92 0.03 0.00 -0.72 0.00 0.00 41.12 39.92 1p1z n ASP 96 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1p1z n ARG 97 N 0.11 -0.07 -0.35 -0.67 1.85 -1.26 0.44 116.66 116.71 1p1z n ARG 97 Ca 0.37 0.62 0.09 0.00 -1.00 0.00 0.00 57.85 57.94 1p1z n ARG 97 Cb 0.33 -0.93 0.19 0.00 -1.05 0.00 0.00 32.46 31.00 1p1z n ARG 97 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1p1z h ASP 98 N 0.00 -0.74 0.00 2.89 5.19 -2.02 -3.50 116.42 118.24 1p1z h ASP 98 Ca 0.16 0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1p1z h ASP 98 Cb 0.26 0.56 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1p1z h ASP 98 CO -0.41 -0.33 0.00 0.80 -3.12 0.00 0.00 179.24 176.18