#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nez s GLN 2 N 0.00 0.50 0.15 9.51 -2.07 -1.26 -4.59 119.66 121.90 1nez s GLN 2 Ca 0.00 -0.20 0.06 0.00 -1.82 0.00 0.00 55.36 53.40 1nez s GLN 2 Cb 0.00 -0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 31.40 1nez s GLN 2 CO 0.00 0.12 0.01 0.15 -1.32 0.00 0.00 175.29 174.25 1nez s LYS 3 N -0.08 2.48 -0.01 9.60 1.02 -1.06 -4.94 119.74 126.76 1nez s LYS 3 Ca 0.02 -1.01 -0.12 0.00 0.02 0.00 0.00 55.97 54.87 1nez s LYS 3 Cb -0.03 -2.43 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 1nez s LYS 3 CO -0.00 0.48 0.35 0.95 -0.92 0.00 0.00 175.35 176.21 1nez s THR 4 N -1.61 5.14 0.22 2.17 -4.23 -1.25 -2.95 115.64 113.13 1nez s THR 4 Ca 0.27 0.62 -0.32 0.00 -1.18 0.00 0.00 61.69 61.08 1nez s THR 4 Cb -0.10 -3.64 -0.13 0.00 1.34 0.00 0.00 72.50 69.97 1nez s THR 4 CO 0.19 0.52 1.54 -2.65 -0.54 0.00 0.00 174.62 173.68 1nez n PRO 5 N 1.64 2.31 -4.18 3.99 -0.02 -1.26 -4.45 135.00 133.02 1nez n PRO 5 Ca -0.14 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 1nez n PRO 5 Cb 0.53 -2.57 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 1nez n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1nez s GLN 6 N 0.18 3.14 -0.03 -0.52 -1.52 0.51 -4.92 119.66 116.49 1nez s GLN 6 Ca 0.71 -0.33 0.05 0.00 -1.95 0.00 0.00 55.36 53.84 1nez s GLN 6 Cb -0.61 -2.93 -0.01 0.00 -0.22 0.00 0.00 33.01 29.25 1nez s GLN 6 CO 0.44 0.72 -0.17 0.42 -0.25 0.00 0.00 175.29 176.45 1nez s ILE 7 N -0.97 1.37 -0.04 1.08 1.01 -1.26 -1.13 121.20 121.26 1nez s ILE 7 Ca 0.15 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1nez s ILE 7 Cb -0.12 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 1nez s ILE 7 CO 0.04 0.39 -0.18 -1.10 0.00 0.00 0.00 174.94 174.10 1nez s GLN 8 N -0.11 1.82 -0.16 2.79 -0.21 -0.48 -5.00 119.66 118.31 1nez s GLN 8 Ca -0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1nez s GLN 8 Cb -0.10 -1.59 0.03 0.00 1.00 0.00 0.00 33.01 32.35 1nez s GLN 8 CO 0.01 0.27 -0.14 0.08 -2.12 0.00 0.00 175.29 173.39 1nez s VAL 9 N -0.02 1.59 0.35 1.09 1.01 -1.26 -0.83 120.40 122.33 1nez s VAL 9 Ca -0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1nez s VAL 9 Cb -0.11 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1nez s VAL 9 CO 0.02 0.41 0.80 -0.72 0.00 0.00 0.00 175.10 175.61 1nez s TYR 10 N 1.47 0.06 0.17 5.22 -0.85 -0.79 -4.49 117.35 118.14 1nez s TYR 10 Ca 0.04 -0.68 0.06 0.00 -0.52 0.00 0.00 57.07 55.97 1nez s TYR 10 Cb -0.13 0.81 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1nez s TYR 10 CO -0.10 -1.46 0.07 -1.54 -1.52 0.00 0.00 175.55 171.00 1nez s SER 11 N -3.07 5.15 0.14 -0.18 1.04 -1.26 0.30 113.70 115.82 1nez s SER 11 Ca 0.15 -0.27 -0.14 0.00 0.48 0.00 0.00 55.95 56.17 1nez s SER 11 Cb -0.05 -1.23 0.01 0.00 0.10 0.00 0.00 66.02 64.85 1nez s SER 11 CO 0.10 0.07 1.63 -0.09 0.98 0.00 0.00 173.24 175.94 1nez h ARG 12 N 2.51 0.74 -6.19 4.02 2.43 -1.69 -3.45 114.38 112.75 1nez h ARG 12 Ca -0.47 -0.19 -0.59 0.00 -0.81 0.00 0.00 59.98 57.92 1nez h ARG 12 Cb 1.20 -0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 30.51 1nez h ARG 12 CO 0.61 0.75 -0.77 -1.01 -1.51 0.00 0.00 179.97 178.03 1nez s HIS 13 N -5.24 2.17 -0.20 2.20 3.76 -1.26 -5.07 115.29 111.65 1nez s HIS 13 Ca -0.13 -0.38 -0.40 0.00 -0.15 0.00 0.00 55.06 54.00 1nez s HIS 13 Cb 0.11 -0.99 -0.16 0.00 1.11 0.00 0.00 32.58 32.65 1nez s HIS 13 CO 0.79 0.59 1.64 -2.30 -0.85 0.00 0.00 174.74 174.60 1nez n PRO 14 N -0.31 1.09 -1.93 8.40 -0.02 -1.26 -4.86 135.00 136.11 1nez n PRO 14 Ca -0.08 0.40 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1nez n PRO 14 Cb 0.59 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1nez n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nez s PRO 15 N 2.76 3.55 -0.22 0.52 0.04 -1.26 -5.03 135.00 135.36 1nez s PRO 15 Ca 0.95 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 64.13 1nez s PRO 15 Cb -1.06 -2.48 0.11 0.00 0.04 0.00 0.00 34.50 31.11 1nez s PRO 15 CO 0.62 -0.84 0.28 -2.00 0.04 0.00 0.00 177.00 175.10 1nez s GLU 16 N -2.63 0.25 -0.39 4.56 2.56 -1.26 -5.11 118.70 116.69 1nez s GLU 16 Ca 0.65 0.33 -0.37 0.00 0.00 0.00 0.00 54.97 55.58 1nez s GLU 16 Cb -0.38 -0.93 -0.16 0.00 2.00 0.00 0.00 34.13 34.66 1nez s GLU 16 CO 0.47 -0.65 1.24 0.09 -0.56 0.00 0.00 175.26 175.85 1nez n ASN 17 N 5.34 0.94 0.00 -1.70 4.13 -1.26 -0.31 115.26 122.39 1nez n ASN 17 Ca -0.05 0.93 0.00 0.00 1.68 0.00 0.00 54.58 57.14 1nez n ASN 17 Cb 0.50 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1nez n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nez n GLY 18 N 3.10 2.11 3.74 7.41 0.00 0.10 -5.01 105.19 116.64 1nez n GLY 18 Ca 0.24 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1nez n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nez s LYS 19 N 0.00 4.51 0.73 1.61 2.20 0.57 -4.82 119.74 124.54 1nez s LYS 19 Ca 0.00 1.86 -0.16 0.00 -0.36 0.00 0.00 55.97 57.32 1nez s LYS 19 Cb 0.00 -3.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1nez s LYS 19 CO 0.00 -0.06 1.25 -1.25 -0.36 0.00 0.00 175.35 174.93 1nez s PRO 20 N -0.34 2.07 0.02 4.03 0.04 -1.26 -4.02 135.00 135.53 1nez s PRO 20 Ca 0.52 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1nez s PRO 20 Cb -0.32 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1nez s PRO 20 CO 0.37 -1.93 0.06 -1.71 0.04 0.00 0.00 177.00 173.84 1nez n ASN 21 N -2.63 -0.14 -4.05 6.66 2.85 0.34 -4.98 115.26 113.31 1nez n ASN 21 Ca 0.15 -1.09 -0.25 0.00 -0.11 0.00 0.00 54.58 53.28 1nez n ASN 21 Cb 0.49 0.24 -0.16 0.00 1.24 0.00 0.00 39.78 41.59 1nez n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1nez s ILE 22 N -2.77 1.21 -0.22 -1.44 1.01 -1.26 -1.68 121.20 116.06 1nez s ILE 22 Ca 0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 1nez s ILE 22 Cb -0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1nez s ILE 22 CO 0.01 0.37 0.10 -0.22 0.00 0.00 0.00 174.94 175.20 1nez s LEU 23 N 0.52 3.84 0.03 2.97 2.96 0.11 -1.62 118.68 127.49 1nez s LEU 23 Ca -0.13 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1nez s LEU 23 Cb -0.15 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1nez s LEU 23 CO 0.04 0.08 0.02 0.20 -1.32 0.00 0.00 176.35 175.36 1nez s ASN 24 N 0.96 5.19 -0.26 3.68 0.01 0.15 -1.39 114.94 123.27 1nez s ASN 24 Ca 0.05 -0.04 -0.02 0.00 -0.71 0.00 0.00 52.86 52.15 1nez s ASN 24 Cb -0.14 -1.34 0.08 0.00 0.41 0.00 0.00 41.25 40.27 1nez s ASN 24 CO 0.03 0.24 0.07 0.00 -1.51 0.00 0.00 177.10 175.93 1nez s TYR 26 N 1.72 3.22 -0.22 0.00 5.04 -0.01 -1.16 117.35 125.93 1nez s TYR 26 Ca 0.05 -0.22 -0.06 0.00 -2.44 0.00 0.00 57.07 54.40 1nez s TYR 26 Cb -0.17 -2.59 -0.02 0.00 0.35 0.00 0.00 41.96 39.53 1nez s TYR 26 CO -0.19 -0.44 0.02 0.08 -1.34 0.00 0.00 175.55 173.68 1nez s VAL 27 N 1.84 4.04 0.32 3.14 1.01 -0.19 -1.38 120.40 129.18 1nez s VAL 27 Ca 0.08 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1nez s VAL 27 Cb -0.17 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1nez s VAL 27 CO 0.11 0.40 0.15 0.42 0.00 0.00 0.00 175.10 176.18 1nez s THR 28 N 1.23 0.42 -1.69 3.92 -4.23 -0.28 -1.38 115.64 113.63 1nez s THR 28 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1nez s THR 28 Cb -0.15 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1nez s THR 28 CO 0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 1nez n GLN 29 N -0.62 -1.47 -4.29 3.99 3.00 -0.84 -0.36 117.38 116.78 1nez n GLN 29 Ca 0.00 0.96 -0.25 0.00 -0.01 0.00 0.00 57.00 57.70 1nez n GLN 29 Cb 0.65 -5.47 -0.08 0.00 0.00 0.00 0.00 30.24 25.34 1nez n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1nez s PHE 30 N -2.90 2.68 -0.28 1.08 -0.71 -1.21 -3.85 117.98 112.79 1nez s PHE 30 Ca 0.00 -0.21 -0.23 0.00 -1.04 0.00 0.00 56.93 55.44 1nez s PHE 30 Cb 0.00 -1.25 0.10 0.00 -1.21 0.00 0.00 43.02 40.66 1nez s PHE 30 CO 0.00 0.57 0.85 -1.58 -1.34 0.00 0.00 175.22 173.71 1nez s HIS 31 N -1.99 -0.69 1.23 3.49 2.46 -1.15 -1.41 115.29 117.23 1nez s HIS 31 Ca 0.28 1.61 -0.17 0.00 0.47 0.00 0.00 55.06 57.25 1nez s HIS 31 Cb -0.08 0.35 0.30 0.00 -0.13 0.00 0.00 32.58 33.03 1nez s HIS 31 CO 0.18 -0.34 1.02 -2.14 -2.47 0.00 0.00 174.74 170.99 1nez s PRO 32 N 0.55 -1.47 0.12 2.88 0.02 -1.26 -2.55 135.00 133.28 1nez s PRO 32 Ca -0.01 0.36 0.21 0.00 0.02 0.00 0.00 61.00 61.59 1nez s PRO 32 Cb -0.05 -1.53 0.87 0.00 0.02 0.00 0.00 34.50 33.81 1nez s PRO 32 CO -0.05 -3.97 1.66 -0.35 -0.33 0.00 0.00 177.00 173.96 1nez n PRO 33 N -5.02 0.10 -2.01 5.54 -0.04 -1.26 -4.77 135.00 127.54 1nez n PRO 33 Ca 0.08 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 1nez n PRO 33 Cb 0.58 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 1nez n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1nez s HIS 34 N -3.12 1.88 0.09 0.54 2.46 -1.26 -4.97 115.29 110.90 1nez s HIS 34 Ca 0.08 0.53 -0.03 0.00 0.47 0.00 0.00 55.06 56.11 1nez s HIS 34 Cb 0.11 -4.06 -0.03 0.00 -0.13 0.00 0.00 32.58 28.47 1nez s HIS 34 CO 0.40 -3.14 0.05 -1.50 -2.47 0.00 0.00 174.74 168.08 1nez s ILE 35 N 6.09 0.16 -0.16 0.89 2.07 -1.26 -4.73 121.20 124.26 1nez s ILE 35 Ca 0.78 -1.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.31 1nez s ILE 35 Cb -0.25 -1.65 0.04 0.00 0.13 0.00 0.00 42.46 40.73 1nez s ILE 35 CO 0.32 -0.75 -0.04 -1.61 -1.91 0.00 0.00 174.94 170.95 1nez s GLU 36 N -3.95 1.36 -0.16 3.50 2.02 -0.90 -5.01 118.70 115.56 1nez s GLU 36 Ca 0.12 -0.50 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 1nez s GLU 36 Cb 0.07 -1.98 -0.00 0.00 0.10 0.00 0.00 34.13 32.31 1nez s GLU 36 CO -0.06 -0.44 -0.13 0.42 0.02 0.00 0.00 175.26 175.06 1nez s ILE 37 N 1.65 2.82 -0.08 -1.63 1.01 -1.26 0.34 121.20 124.05 1nez s ILE 37 Ca 0.01 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1nez s ILE 37 Cb -0.15 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.12 1nez s ILE 37 CO -0.08 0.50 -0.16 -1.10 0.00 0.00 0.00 174.94 174.11 1nez s GLN 38 N 0.89 2.10 -0.23 2.79 -0.21 0.57 -5.00 119.66 120.56 1nez s GLN 38 Ca -0.03 -0.55 -0.10 0.00 0.02 0.00 0.00 55.36 54.70 1nez s GLN 38 Cb -0.15 -1.68 -0.05 0.00 1.00 0.00 0.00 33.01 32.13 1nez s GLN 38 CO -0.01 0.06 0.15 -1.64 -2.12 0.00 0.00 175.29 171.73 1nez s MET 39 N 0.60 4.09 0.16 2.91 -1.94 -1.26 -0.50 119.30 123.36 1nez s MET 39 Ca -0.15 -0.27 0.09 0.00 -1.71 0.00 0.00 55.69 53.65 1nez s MET 39 Cb -0.16 -3.49 -0.04 0.00 2.01 0.00 0.00 34.83 33.15 1nez s MET 39 CO 0.05 0.13 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.56 1nez s LEU 40 N 0.85 2.92 -0.26 -0.03 1.43 0.13 0.14 118.68 123.86 1nez s LEU 40 Ca 0.07 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1nez s LEU 40 Cb -0.13 -1.64 0.05 0.00 0.03 0.00 0.00 46.19 44.50 1nez s LEU 40 CO 0.03 0.12 -0.09 -0.54 0.23 0.00 0.00 176.35 176.10 1nez s LYS 41 N -2.64 2.42 -1.29 1.70 1.02 0.44 -2.34 119.74 119.06 1nez s LYS 41 Ca 0.23 -1.24 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 1nez s LYS 41 Cb -0.09 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1nez s LYS 41 CO 0.14 -0.53 0.05 0.09 -0.92 0.00 0.00 175.35 174.18 1nez n ASN 42 N 4.51 -4.54 0.00 2.83 5.03 0.41 0.90 115.26 124.41 1nez n ASN 42 Ca -0.15 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.39 1nez n ASN 42 Cb 0.44 -3.82 0.00 0.00 -1.02 0.00 0.00 39.78 35.38 1nez n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nez n GLY 43 N -0.91 0.87 3.43 7.41 0.00 -1.26 -5.01 105.19 109.73 1nez n GLY 43 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1nez n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nez s LYS 44 N -0.66 2.98 -0.47 1.61 2.20 0.26 -5.02 119.74 120.64 1nez s LYS 44 Ca 0.00 -1.14 -0.43 0.00 -0.36 0.00 0.00 55.97 54.04 1nez s LYS 44 Cb 0.00 -4.04 -0.19 0.00 -1.51 0.00 0.00 37.83 32.09 1nez s LYS 44 CO 0.00 -0.87 1.72 0.36 -0.36 0.00 0.00 175.35 176.21 1nez n LYS 45 N 5.20 0.00 -2.25 4.03 2.85 -1.26 -0.42 118.16 126.31 1nez n LYS 45 Ca -0.11 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.78 1nez n LYS 45 Cb 0.46 -1.42 -0.01 0.00 -0.65 0.00 0.00 35.03 33.41 1nez n LYS 45 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1nez s ILE 46 N 4.01 3.09 0.00 0.58 1.01 0.38 -4.80 121.20 125.46 1nez s ILE 46 Ca 1.05 0.81 0.00 0.00 0.00 0.00 0.00 60.65 62.51 1nez s ILE 46 Cb -1.42 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 37.65 1nez s ILE 46 CO 0.71 -0.02 0.00 -0.81 0.00 0.00 0.00 174.94 174.82 1nez n PRO 47 N -0.55 2.05 -1.49 2.79 -0.04 -1.26 -4.68 135.00 131.81 1nez n PRO 47 Ca 0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.35 1nez n PRO 47 Cb 0.48 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.77 1nez n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nez n LYS 48 N 0.00 0.15 -3.85 0.54 5.02 -1.26 -4.92 118.16 113.85 1nez n LYS 48 Ca 0.00 -0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 55.66 1nez n LYS 48 Cb 0.00 -1.79 -0.11 0.00 -0.02 0.00 0.00 35.03 33.11 1nez n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1nez s VAL 49 N 4.38 4.70 0.53 -0.18 1.01 -1.26 -4.97 120.40 124.61 1nez s VAL 49 Ca 1.13 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.88 1nez s VAL 49 Cb -0.59 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1nez s VAL 49 CO 0.40 0.38 1.04 -1.61 0.00 0.00 0.00 175.10 175.31 1nez s GLU 50 N 1.06 3.63 0.11 2.72 0.41 -1.16 -4.85 118.70 120.63 1nez s GLU 50 Ca 0.05 1.28 0.05 0.00 -0.41 0.00 0.00 54.97 55.94 1nez s GLU 50 Cb -0.14 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 30.10 1nez s GLU 50 CO 0.03 -0.56 -0.12 -1.64 -0.49 0.00 0.00 175.26 172.48 1nez s MET 51 N -3.58 0.95 0.64 1.61 -1.94 -1.26 -1.04 119.30 114.68 1nez s MET 51 Ca 0.65 -1.22 0.02 0.00 -1.71 0.00 0.00 55.69 53.43 1nez s MET 51 Cb -0.16 -0.73 0.09 0.00 2.01 0.00 0.00 34.83 36.04 1nez s MET 51 CO 0.27 0.13 0.89 -1.54 -0.01 0.00 0.00 175.02 174.76 1nez s SER 52 N -2.50 4.75 0.18 3.03 1.04 -0.58 -5.00 113.70 114.63 1nez s SER 52 Ca 0.08 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 1nez s SER 52 Cb -0.04 -0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.78 1nez s SER 52 CO 0.02 -1.56 0.92 -1.81 0.98 0.00 0.00 173.24 171.79 1nez s ASP 53 N -4.63 7.55 0.25 7.02 1.01 -1.26 -4.76 116.67 121.86 1nez s ASP 53 Ca 0.63 1.84 -0.30 0.00 0.71 0.00 0.00 52.55 55.44 1nez s ASP 53 Cb -0.07 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 1nez s ASP 53 CO 0.42 0.09 1.17 -0.32 0.21 0.00 0.00 175.17 176.73 1nez s MET 54 N -0.76 4.54 0.19 8.23 1.75 -1.26 -4.90 119.30 127.09 1nez s MET 54 Ca 0.42 1.90 0.03 0.00 -1.25 0.00 0.00 55.69 56.79 1nez s MET 54 Cb -0.25 -3.19 -0.01 0.00 2.84 0.00 0.00 34.83 34.22 1nez s MET 54 CO 0.30 0.04 0.12 0.45 -0.65 0.00 0.00 175.02 175.29 1nez n SER 55 N 1.61 0.17 -3.92 1.11 2.88 -1.12 -5.02 113.62 109.33 1nez n SER 55 Ca 0.01 -2.18 -0.10 0.00 -1.33 0.00 0.00 58.87 55.28 1nez n SER 55 Cb 0.44 0.77 -0.06 0.00 -0.75 0.00 0.00 64.21 64.61 1nez n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1nez s PHE 56 N -2.60 0.28 0.57 0.66 -0.71 -1.26 -1.18 117.98 113.74 1nez s PHE 56 Ca 0.18 -0.64 0.09 0.00 -1.04 0.00 0.00 56.93 55.52 1nez s PHE 56 Cb 0.01 0.08 0.08 0.00 -1.21 0.00 0.00 43.02 41.98 1nez s PHE 56 CO 0.12 -0.80 0.77 0.45 -1.34 0.00 0.00 175.22 174.42 1nez s SER 57 N -2.95 5.07 0.34 1.98 0.15 0.14 -4.94 113.70 113.48 1nez s SER 57 Ca 0.16 -0.88 0.12 0.00 0.70 0.00 0.00 55.95 56.05 1nez s SER 57 Cb 0.02 0.31 0.94 0.00 -1.71 0.00 0.00 66.02 65.57 1nez s SER 57 CO 0.01 -1.33 1.75 0.11 1.20 0.00 0.00 173.24 174.98 1nez h LYS 58 N 0.22 0.53 -0.11 5.44 1.57 -2.03 0.45 116.57 122.64 1nez h LYS 58 Ca -0.30 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1nez h LYS 58 Cb 1.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1nez h LYS 58 CO 0.42 0.35 0.00 -0.40 -0.57 0.00 0.00 179.45 179.25 1nez n ASP 59 N -4.79 0.53 0.00 0.86 5.75 -1.26 -4.87 116.55 112.77 1nez n ASP 59 Ca 0.26 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1nez n ASP 59 Cb 0.76 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1nez n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1nez n TRP 60 N -0.22 0.00 -2.51 2.11 7.02 0.16 -5.01 117.44 118.98 1nez n TRP 60 Ca 0.03 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.11 1nez n TRP 60 Cb 0.08 -0.10 -0.04 0.00 -2.42 0.00 0.00 31.31 28.83 1nez n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1nez s SER 61 N -3.22 7.29 0.62 -0.99 1.04 -1.26 -4.67 113.70 112.51 1nez s SER 61 Ca 0.00 2.22 -0.07 0.00 0.48 0.00 0.00 55.95 58.58 1nez s SER 61 Cb 0.00 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1nez s SER 61 CO 0.00 -0.12 0.94 -0.36 0.98 0.00 0.00 173.24 174.68 1nez s PHE 62 N -1.19 3.23 -0.04 5.02 0.40 -0.50 -0.68 117.98 124.21 1nez s PHE 62 Ca 0.45 0.69 -0.11 0.00 -0.60 0.00 0.00 56.93 57.36 1nez s PHE 62 Cb -0.31 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.40 1nez s PHE 62 CO 0.39 -0.94 0.25 1.52 0.70 0.00 0.00 175.22 177.14 1nez s TYR 63 N -3.08 -0.16 0.04 0.36 -0.85 -0.33 -2.00 117.35 111.34 1nez s TYR 63 Ca 0.55 0.32 -0.12 0.00 -0.52 0.00 0.00 57.07 57.30 1nez s TYR 63 Cb -0.11 0.06 0.01 0.00 0.38 0.00 0.00 41.96 42.31 1nez s TYR 63 CO 0.46 -0.27 0.27 0.42 -1.52 0.00 0.00 175.55 174.91 1nez s ILE 64 N -0.80 0.09 -0.15 -3.49 1.01 -0.48 -2.81 121.20 114.56 1nez s ILE 64 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1nez s ILE 64 Cb -0.05 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.55 1nez s ILE 64 CO 0.02 -0.41 -0.13 -0.22 0.00 0.00 0.00 174.94 174.21 1nez s LEU 65 N -2.01 1.70 -0.13 2.97 2.96 -1.26 -1.02 118.68 121.89 1nez s LEU 65 Ca -0.06 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1nez s LEU 65 Cb -0.01 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.50 1nez s LEU 65 CO -0.03 -0.08 0.03 0.00 -1.32 0.00 0.00 176.35 174.96 1nez s ALA 66 N 1.50 3.36 -0.16 5.97 0.00 -0.31 -1.52 121.76 130.60 1nez s ALA 66 Ca 0.04 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 1nez s ALA 66 Cb -0.13 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.35 1nez s ALA 66 CO -0.10 0.43 0.43 -3.38 0.00 0.00 0.00 175.76 173.14 1nez s HIS 67 N -0.40 -0.47 0.00 0.00 -3.43 -0.21 0.17 115.29 110.95 1nez s HIS 67 Ca 0.08 1.15 0.00 0.00 -0.80 0.00 0.00 55.06 55.49 1nez s HIS 67 Cb -0.12 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1nez s HIS 67 CO 0.02 -0.23 0.00 -2.37 -2.00 0.00 0.00 174.74 170.16 1nez n THR 68 N 2.86 0.00 -4.16 -5.38 5.66 -0.49 -2.97 114.28 109.80 1nez n THR 68 Ca -0.13 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 1nez n THR 68 Cb 0.57 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.27 1nez n THR 68 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nez s GLU 69 N -0.29 2.46 0.13 1.09 -1.05 -1.26 -0.71 118.70 119.06 1nez s GLU 69 Ca 0.00 -0.87 -0.25 0.00 -0.15 0.00 0.00 54.97 53.70 1nez s GLU 69 Cb 0.00 -2.49 0.07 0.00 -0.44 0.00 0.00 34.13 31.27 1nez s GLU 69 CO 0.00 0.54 0.84 -0.59 0.95 0.00 0.00 175.26 177.00 1nez s PHE 70 N -1.28 -0.27 -0.29 4.83 -0.71 -0.67 -4.76 117.98 114.83 1nez s PHE 70 Ca 0.24 -0.00 -0.01 0.00 -1.04 0.00 0.00 56.93 56.13 1nez s PHE 70 Cb -0.12 0.61 0.09 0.00 -1.21 0.00 0.00 43.02 42.39 1nez s PHE 70 CO 0.17 -0.82 0.08 0.99 -1.34 0.00 0.00 175.22 174.30 1nez s THR 71 N -3.41 0.91 -0.24 -4.49 2.01 -1.26 -0.51 115.64 108.65 1nez s THR 71 Ca 0.08 -1.28 -0.42 0.00 0.31 0.00 0.00 61.69 60.38 1nez s THR 71 Cb -0.02 -1.61 -0.18 0.00 0.01 0.00 0.00 72.50 70.70 1nez s THR 71 CO -0.03 -0.56 1.49 -2.65 -0.69 0.00 0.00 174.62 172.18 1nez n PRO 72 N 4.85 0.51 -3.84 4.92 -0.02 -1.26 -4.73 135.00 135.43 1nez n PRO 72 Ca -0.04 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 1nez n PRO 72 Cb 0.43 -1.76 -0.14 0.00 -0.02 0.00 0.00 33.50 32.00 1nez n PRO 72 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nez s THR 73 N 2.12 -0.02 0.22 3.45 2.01 -1.26 0.03 115.64 122.19 1nez s THR 73 Ca 0.97 0.06 0.35 0.00 0.31 0.00 0.00 61.69 63.37 1nez s THR 73 Cb -1.24 -0.04 0.36 0.00 0.01 0.00 0.00 72.50 71.59 1nez s THR 73 CO 0.66 0.02 2.05 -0.33 -0.69 0.00 0.00 174.62 176.34 1nez h GLU 74 N 6.44 0.00 -0.42 4.92 5.08 -1.99 -0.23 114.58 128.38 1nez h GLU 74 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1nez h GLU 74 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1nez h GLU 74 CO 0.50 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.92 1nez n THR 75 N -2.78 0.70 -4.21 1.13 -1.04 -1.26 -4.93 114.28 101.88 1nez n THR 75 Ca -0.01 -0.85 -0.34 0.00 -2.04 0.00 0.00 64.05 60.81 1nez n THR 75 Cb 0.12 0.77 -0.15 0.00 -1.82 0.00 0.00 70.33 69.25 1nez n THR 75 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1nez s ASP 76 N -1.18 3.62 -0.22 8.00 1.01 -0.10 -5.07 116.67 122.73 1nez s ASP 76 Ca 0.34 -0.52 -0.15 0.00 0.71 0.00 0.00 52.55 52.94 1nez s ASP 76 Cb 0.19 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.51 1nez s ASP 76 CO 0.26 0.03 0.37 -0.89 0.21 0.00 0.00 175.17 175.15 1nez s THR 77 N 1.17 5.21 -0.02 -1.27 2.01 -1.26 -4.62 115.64 116.85 1nez s THR 77 Ca 0.01 0.62 0.07 0.00 0.31 0.00 0.00 61.69 62.70 1nez s THR 77 Cb -0.14 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1nez s THR 77 CO -0.06 0.23 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.58 1nez s TYR 78 N 1.50 1.97 0.19 4.92 1.51 -1.26 0.16 117.35 126.33 1nez s TYR 78 Ca 0.17 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.71 1nez s TYR 78 Cb -0.15 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1nez s TYR 78 CO 0.08 -0.04 0.43 0.00 -1.11 0.00 0.00 175.55 174.92 1nez s ALA 79 N -0.50 -0.56 -0.12 3.71 0.00 -0.99 -0.29 121.76 123.01 1nez s ALA 79 Ca 0.08 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1nez s ALA 79 Cb -0.09 0.86 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1nez s ALA 79 CO -0.01 -0.75 -0.13 0.00 0.00 0.00 0.00 175.76 174.88 1nez s ARG 81 N 1.35 3.38 0.06 0.00 3.52 0.35 -1.50 118.95 126.11 1nez s ARG 81 Ca 0.01 -0.68 0.08 0.00 -0.13 0.00 0.00 55.73 55.00 1nez s ARG 81 Cb -0.13 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.57 1nez s ARG 81 CO -0.07 0.18 -0.22 0.14 -0.81 0.00 0.00 175.30 174.52 1nez s VAL 82 N 0.45 1.82 -0.17 7.11 -7.23 -0.12 -0.32 120.40 121.94 1nez s VAL 82 Ca -0.09 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1nez s VAL 82 Cb -0.16 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.19 1nez s VAL 82 CO 0.05 0.19 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.34 1nez s LYS 83 N -1.38 3.19 -0.12 4.82 1.02 0.15 -1.67 119.74 125.76 1nez s LYS 83 Ca 0.09 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 1nez s LYS 83 Cb -0.09 -2.69 0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1nez s LYS 83 CO 0.03 -0.08 0.31 -1.58 -0.92 0.00 0.00 175.35 173.10 1nez s HIS 84 N 1.07 -0.37 0.63 3.18 2.46 -1.26 -2.11 115.29 118.88 1nez s HIS 84 Ca -0.00 0.88 0.24 0.00 0.47 0.00 0.00 55.06 56.65 1nez s HIS 84 Cb -0.14 0.12 1.22 0.00 -0.13 0.00 0.00 32.58 33.65 1nez s HIS 84 CO -0.04 -0.20 1.68 -0.44 -2.47 0.00 0.00 174.74 173.27 1nez h ASP 85 N 6.23 0.00 0.94 9.88 3.45 -1.95 -0.87 116.42 134.11 1nez h ASP 85 Ca -0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.15 1nez h ASP 85 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1nez h ASP 85 CO 0.33 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.46 1nez n SER 86 N -3.17 0.13 -4.61 6.45 3.41 -1.26 -4.85 113.62 109.72 1nez n SER 86 Ca 0.06 0.52 -0.29 0.00 -0.26 0.00 0.00 58.87 58.89 1nez n SER 86 Cb 0.75 -0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 64.05 1nez n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1nez s MET 87 N -3.03 2.24 0.43 4.33 -1.94 -0.33 -4.87 119.30 116.13 1nez s MET 87 Ca 0.12 -1.00 0.22 0.00 -1.71 0.00 0.00 55.69 53.32 1nez s MET 87 Cb 0.16 -2.36 0.92 0.00 2.01 0.00 0.00 34.83 35.56 1nez s MET 87 CO 0.48 0.51 1.84 0.00 -0.01 0.00 0.00 175.02 177.83 1nez h ALA 88 N 3.47 1.07 -2.56 3.03 0.00 -1.88 -3.45 119.26 118.93 1nez h ALA 88 Ca -0.48 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 1nez h ALA 88 Cb 1.17 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 1nez h ALA 88 CO 0.54 0.33 -0.26 -1.21 0.00 0.00 0.00 179.25 178.66 1nez s GLU 89 N -3.75 0.82 0.94 0.00 0.41 -1.26 -5.15 118.70 110.70 1nez s GLU 89 Ca -0.00 -0.55 -0.12 0.00 -0.41 0.00 0.00 54.97 53.89 1nez s GLU 89 Cb 0.11 0.35 0.07 0.00 -1.78 0.00 0.00 34.13 32.89 1nez s GLU 89 CO 0.65 -0.26 0.66 -0.35 -0.49 0.00 0.00 175.26 175.46 1nez n PRO 90 N 0.51 -0.34 -4.58 0.39 -0.04 -1.26 -4.92 135.00 124.75 1nez n PRO 90 Ca -0.18 -0.05 -0.26 0.00 -0.04 0.00 0.00 63.50 62.97 1nez n PRO 90 Cb 0.60 -2.03 -0.17 0.00 -0.04 0.00 0.00 33.50 31.86 1nez n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1nez s LYS 91 N -3.96 1.87 -0.04 0.54 2.20 -0.67 -4.97 119.74 114.70 1nez s LYS 91 Ca 0.60 -0.46 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 1nez s LYS 91 Cb -0.22 -1.55 -0.02 0.00 -1.51 0.00 0.00 37.83 34.53 1nez s LYS 91 CO 0.64 0.01 -0.22 0.99 -0.36 0.00 0.00 175.35 176.41 1nez s THR 92 N 0.74 2.33 -0.06 3.43 2.01 -1.26 -0.94 115.64 121.88 1nez s THR 92 Ca -0.13 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 60.90 1nez s THR 92 Cb -0.16 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.52 1nez s THR 92 CO 0.03 0.58 -0.09 0.54 -0.69 0.00 0.00 174.62 174.99 1nez s VAL 93 N -0.47 0.91 0.18 3.82 0.11 -0.56 -4.97 120.40 119.42 1nez s VAL 93 Ca 0.06 -0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 58.64 1nez s VAL 93 Cb -0.11 -0.87 -0.07 0.00 -1.53 0.00 0.00 36.38 33.79 1nez s VAL 93 CO 0.01 0.31 0.57 -0.31 -3.33 0.00 0.00 175.10 172.35 1nez s TYR 94 N 0.87 3.55 0.35 1.54 1.51 -1.26 -0.95 117.35 122.96 1nez s TYR 94 Ca -0.11 1.03 -0.28 0.00 -1.01 0.00 0.00 57.07 56.70 1nez s TYR 94 Cb -0.15 -2.36 -0.10 0.00 -0.11 0.00 0.00 41.96 39.24 1nez s TYR 94 CO 0.01 0.37 1.30 -0.46 -1.11 0.00 0.00 175.55 175.66 1nez s TRP 95 N -1.59 2.99 -0.17 2.71 -0.00 0.60 -4.88 118.94 118.61 1nez s TRP 95 Ca 0.41 1.42 -0.05 0.00 -0.00 0.00 0.00 56.10 57.89 1nez s TRP 95 Cb -0.14 -3.66 0.06 0.00 -0.00 0.00 0.00 33.47 29.73 1nez s TRP 95 CO 0.20 -1.88 0.09 0.34 -0.00 0.00 0.00 176.95 175.70 1nez s ASP 96 N -0.58 2.30 0.61 5.86 -1.08 -1.26 -4.79 116.67 117.72 1nez s ASP 96 Ca 0.51 -0.59 0.27 0.00 -0.52 0.00 0.00 52.55 52.22 1nez s ASP 96 Cb -0.39 -0.22 1.46 0.00 -1.46 0.00 0.00 42.92 42.31 1nez s ASP 96 CO 0.51 -0.35 1.81 0.08 0.52 0.00 0.00 175.17 177.74 1nez h ARG 97 N 8.42 0.00 -0.00 4.34 0.11 -1.94 -0.34 114.38 124.96 1nez h ARG 97 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1nez h ARG 97 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1nez h ARG 97 CO 0.29 0.00 -0.08 -0.25 0.10 0.00 0.00 179.97 180.03 1nez n ASP 98 N -2.75 0.20 0.00 0.08 8.00 -1.26 -4.89 116.55 115.92 1nez n ASP 98 Ca -0.02 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1nez n ASP 98 Cb 0.38 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1nez n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04