#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vad s GLN 2 N 0.00 2.50 -0.05 0.38 0.74 -1.25 -3.20 119.66 118.78 1vad s GLN 2 Ca 0.00 -1.18 0.04 0.00 0.05 0.00 0.00 55.36 54.27 1vad s GLN 2 Cb 0.00 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.30 1vad s GLN 2 CO 0.00 -0.46 -0.16 0.15 -0.55 0.00 0.00 175.29 174.27 1vad s LYS 3 N 1.17 1.78 0.01 1.67 1.02 0.58 -4.91 119.74 121.05 1vad s LYS 3 Ca -0.04 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 1vad s LYS 3 Cb -0.18 -1.52 -0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1vad s LYS 3 CO -0.07 0.19 1.05 0.99 -0.92 0.00 0.00 175.35 176.59 1vad s THR 4 N 0.18 4.63 0.42 2.17 2.01 -1.26 -2.67 115.64 121.11 1vad s THR 4 Ca -0.06 1.89 -0.25 0.00 0.31 0.00 0.00 61.69 63.57 1vad s THR 4 Cb -0.12 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1vad s THR 4 CO 0.03 0.13 1.24 -2.16 -0.69 0.00 0.00 174.62 173.17 1vad s PRO 5 N 1.15 3.94 -0.21 4.92 0.04 -1.26 -4.63 135.00 138.96 1vad s PRO 5 Ca 0.54 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 1vad s PRO 5 Cb -0.23 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.59 1vad s PRO 5 CO 0.27 -0.46 0.18 -0.65 0.04 0.00 0.00 177.00 176.38 1vad s GLN 6 N -2.33 4.17 -0.22 4.56 -1.52 0.80 -4.91 119.66 120.21 1vad s GLN 6 Ca 0.58 -0.17 -0.02 0.00 -1.95 0.00 0.00 55.36 53.81 1vad s GLN 6 Cb -0.34 -3.46 0.01 0.00 -0.22 0.00 0.00 33.01 28.99 1vad s GLN 6 CO 0.43 0.21 -0.09 0.42 -0.25 0.00 0.00 175.29 176.01 1vad s ILE 7 N 0.62 2.87 -0.15 1.08 1.01 -1.26 -0.59 121.20 124.79 1vad s ILE 7 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1vad s ILE 7 Cb -0.12 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 1vad s ILE 7 CO 0.01 0.39 -0.15 -1.10 0.00 0.00 0.00 174.94 174.09 1vad s GLN 8 N 1.38 3.24 -0.13 2.79 -0.21 -0.09 -4.97 119.66 121.68 1vad s GLN 8 Ca 0.04 -0.74 -0.01 0.00 0.02 0.00 0.00 55.36 54.67 1vad s GLN 8 Cb -0.15 -2.60 -0.02 0.00 1.00 0.00 0.00 33.01 31.24 1vad s GLN 8 CO -0.06 0.07 -0.12 0.08 -2.12 0.00 0.00 175.29 173.14 1vad s VAL 9 N 0.68 3.14 0.04 1.09 1.01 -1.26 -0.48 120.40 124.62 1vad s VAL 9 Ca -0.08 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1vad s VAL 9 Cb -0.16 -2.32 0.09 0.00 0.00 0.00 0.00 36.38 33.99 1vad s VAL 9 CO 0.02 0.52 0.76 -0.72 0.00 0.00 0.00 175.10 175.68 1vad s TYR 10 N 0.36 -0.45 0.30 5.22 1.13 -0.50 -4.73 117.35 118.67 1vad s TYR 10 Ca -0.10 0.38 0.06 0.00 -1.41 0.00 0.00 57.07 56.00 1vad s TYR 10 Cb -0.16 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.21 1vad s TYR 10 CO 0.05 -0.66 0.38 -1.54 -2.51 0.00 0.00 175.55 171.28 1vad s SER 11 N -2.36 5.93 0.12 -0.18 1.04 -1.26 -0.03 113.70 116.97 1vad s SER 11 Ca 0.01 -0.16 -0.14 0.00 0.48 0.00 0.00 55.95 56.14 1vad s SER 11 Cb -0.01 -1.40 -0.03 0.00 0.10 0.00 0.00 66.02 64.68 1vad s SER 11 CO -0.08 -0.27 1.52 -0.09 0.98 0.00 0.00 173.24 175.30 1vad h ARG 12 N 1.09 0.75 -5.70 4.02 9.65 -1.64 -3.46 114.38 119.08 1vad h ARG 12 Ca -0.48 -0.29 -0.56 0.00 -1.10 0.00 0.00 59.98 57.55 1vad h ARG 12 Cb 1.25 -0.04 -0.14 0.00 -1.39 0.00 0.00 29.97 29.65 1vad h ARG 12 CO 0.57 0.89 -0.67 -1.01 2.80 0.00 0.00 179.97 182.55 1vad s HIS 13 N -4.76 2.19 0.22 2.20 3.76 -1.26 -5.05 115.29 112.59 1vad s HIS 13 Ca -0.13 -0.62 -0.30 0.00 -0.15 0.00 0.00 55.06 53.86 1vad s HIS 13 Cb 0.10 -1.28 -0.10 0.00 1.11 0.00 0.00 32.58 32.41 1vad s HIS 13 CO 0.81 0.42 1.46 -2.14 -0.85 0.00 0.00 174.74 174.44 1vad s PRO 14 N -3.68 4.26 0.50 8.40 0.02 -1.26 -4.91 135.00 138.33 1vad s PRO 14 Ca 0.31 2.30 -0.23 0.00 0.02 0.00 0.00 61.00 63.40 1vad s PRO 14 Cb 0.04 -3.13 -0.06 0.00 0.02 0.00 0.00 34.50 31.37 1vad s PRO 14 CO 0.14 -0.45 1.34 -1.25 -0.33 0.00 0.00 177.00 176.45 1vad s PRO 15 N -0.01 3.44 -0.20 5.54 0.04 -1.26 -5.02 135.00 137.54 1vad s PRO 15 Ca 0.62 2.20 -0.04 0.00 0.04 0.00 0.00 61.00 63.81 1vad s PRO 15 Cb -0.42 -2.42 0.08 0.00 0.04 0.00 0.00 34.50 31.78 1vad s PRO 15 CO 0.40 -0.94 0.17 -1.21 0.04 0.00 0.00 177.00 175.47 1vad s GLU 16 N -2.70 0.15 -0.21 4.56 2.02 -1.26 -5.09 118.70 116.16 1vad s GLU 16 Ca 0.66 0.06 -0.41 0.00 0.02 0.00 0.00 54.97 55.30 1vad s GLU 16 Cb -0.39 -1.41 -0.17 0.00 0.10 0.00 0.00 34.13 32.26 1vad s GLU 16 CO 0.48 -0.69 1.55 0.09 0.02 0.00 0.00 175.26 176.70 1vad n ASN 17 N 5.30 1.71 0.00 -0.19 3.02 -1.26 -0.26 115.26 123.58 1vad n ASN 17 Ca -0.06 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 1vad n ASN 17 Cb 0.49 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1vad n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vad n GLY 18 N 3.47 2.82 3.73 7.41 0.00 0.05 -4.98 105.19 117.69 1vad n GLY 18 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1vad n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vad s LYS 19 N -0.17 4.50 0.75 1.61 -0.14 0.64 -4.93 119.74 121.99 1vad s LYS 19 Ca 0.00 1.09 -0.14 0.00 -1.36 0.00 0.00 55.97 55.56 1vad s LYS 19 Cb 0.00 -3.40 0.05 0.00 -1.68 0.00 0.00 37.83 32.80 1vad s LYS 19 CO 0.00 0.16 1.20 -2.14 -0.76 0.00 0.00 175.35 173.81 1vad s PRO 20 N 0.36 2.04 0.19 -1.68 0.02 -1.26 -3.95 135.00 130.72 1vad s PRO 20 Ca 0.41 1.72 -0.08 0.00 0.02 0.00 0.00 61.00 63.07 1vad s PRO 20 Cb -0.20 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.53 1vad s PRO 20 CO 0.23 -1.91 0.41 -1.71 -0.33 0.00 0.00 177.00 173.69 1vad n ASN 21 N -2.88 -1.13 -4.05 2.53 2.85 0.30 -4.94 115.26 107.93 1vad n ASN 21 Ca 0.13 -1.77 -0.23 0.00 -0.11 0.00 0.00 54.58 52.60 1vad n ASN 21 Cb 0.50 1.88 -0.16 0.00 1.24 0.00 0.00 39.78 43.25 1vad n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1vad s ILE 22 N -2.53 1.09 -0.12 -1.44 1.01 -1.26 -0.69 121.20 117.26 1vad s ILE 22 Ca 0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1vad s ILE 22 Cb -0.02 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1vad s ILE 22 CO 0.06 0.33 -0.02 -0.22 0.00 0.00 0.00 174.94 175.09 1vad s LEU 23 N 0.25 3.41 0.09 2.97 2.96 0.66 -1.44 118.68 127.59 1vad s LEU 23 Ca -0.06 0.00 0.10 0.00 -0.22 0.00 0.00 54.13 53.95 1vad s LEU 23 Cb -0.11 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1vad s LEU 23 CO 0.02 0.27 -0.25 0.20 -1.32 0.00 0.00 176.35 175.27 1vad s ASN 24 N -0.22 3.01 -0.26 3.68 0.01 0.96 -1.94 114.94 120.18 1vad s ASN 24 Ca 0.05 -0.67 -0.02 0.00 -0.71 0.00 0.00 52.86 51.51 1vad s ASN 24 Cb -0.13 -0.22 0.08 0.00 0.41 0.00 0.00 41.25 41.40 1vad s ASN 24 CO 0.02 0.17 0.08 0.00 -1.51 0.00 0.00 177.10 175.86 1vad s TYR 26 N 1.79 3.22 -0.29 0.00 5.04 0.37 -0.84 117.35 126.64 1vad s TYR 26 Ca 0.05 -0.06 -0.09 0.00 -2.44 0.00 0.00 57.07 54.53 1vad s TYR 26 Cb -0.17 -2.58 -0.01 0.00 0.35 0.00 0.00 41.96 39.55 1vad s TYR 26 CO -0.21 -0.38 0.12 0.08 -1.34 0.00 0.00 175.55 173.82 1vad s VAL 27 N 1.90 4.43 0.18 3.14 1.01 -0.36 -0.91 120.40 129.80 1vad s VAL 27 Ca 0.09 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1vad s VAL 27 Cb -0.17 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1vad s VAL 27 CO 0.11 0.14 -0.11 0.42 0.00 0.00 0.00 175.10 175.66 1vad s THR 28 N 1.60 1.45 -1.12 3.92 -4.23 0.24 -1.00 115.64 116.50 1vad s THR 28 Ca 0.05 -2.13 -0.06 0.00 -1.18 0.00 0.00 61.69 58.36 1vad s THR 28 Cb -0.17 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1vad s THR 28 CO 0.05 -0.64 0.89 0.00 -0.54 0.00 0.00 174.62 174.39 1vad n GLN 29 N -0.31 -3.21 -4.23 3.99 6.02 0.18 -0.14 117.38 119.67 1vad n GLN 29 Ca -0.09 0.78 -0.16 0.00 -0.01 0.00 0.00 57.00 57.52 1vad n GLN 29 Cb 0.61 -5.52 -0.11 0.00 1.02 0.00 0.00 30.24 26.24 1vad n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1vad s PHE 30 N -3.42 1.28 -0.28 1.08 -0.71 -1.13 -4.01 117.98 110.79 1vad s PHE 30 Ca 0.33 -0.63 -0.21 0.00 -1.04 0.00 0.00 56.93 55.38 1vad s PHE 30 Cb -0.06 -0.67 0.11 0.00 -1.21 0.00 0.00 43.02 41.19 1vad s PHE 30 CO 0.76 0.10 0.89 -1.58 -1.34 0.00 0.00 175.22 174.05 1vad s HIS 31 N -2.53 -0.68 1.10 3.49 2.46 -1.09 -1.05 115.29 116.98 1vad s HIS 31 Ca 0.10 1.49 -0.14 0.00 0.47 0.00 0.00 55.06 56.98 1vad s HIS 31 Cb -0.02 0.39 0.24 0.00 -0.13 0.00 0.00 32.58 33.06 1vad s HIS 31 CO 0.02 -0.33 1.08 -1.25 -2.47 0.00 0.00 174.74 171.78 1vad s PRO 32 N 0.82 -0.36 0.30 2.88 0.04 -1.19 -0.31 135.00 137.18 1vad s PRO 32 Ca -0.03 0.42 0.25 0.00 0.04 0.00 0.00 61.00 61.68 1vad s PRO 32 Cb -0.05 -1.65 1.07 0.00 0.04 0.00 0.00 34.50 33.91 1vad s PRO 32 CO -0.10 -3.24 1.74 -1.00 0.04 0.00 0.00 177.00 174.44 1vad h PRO 33 N -2.26 0.00 -6.39 0.56 0.13 -1.95 -3.44 132.00 118.65 1vad h PRO 33 Ca -0.54 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.05 1vad h PRO 33 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.47 1vad h PRO 33 CO 0.51 0.00 1.05 -1.01 -0.23 0.00 0.00 178.00 178.32 1vad s HIS 34 N -3.40 2.16 -0.10 1.56 3.76 -1.26 -4.96 115.29 113.05 1vad s HIS 34 Ca 0.03 0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 1vad s HIS 34 Cb 0.09 -3.99 0.09 0.00 1.11 0.00 0.00 32.58 29.88 1vad s HIS 34 CO 0.38 -4.07 0.80 -1.50 -0.85 0.00 0.00 174.74 169.50 1vad s ILE 35 N 3.25 0.00 -0.13 0.60 2.07 -1.26 -4.65 121.20 121.07 1vad s ILE 35 Ca 0.76 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.02 1vad s ILE 35 Cb -0.38 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.22 1vad s ILE 35 CO 0.33 0.00 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.45 1vad s GLU 36 N -1.05 2.81 -0.10 3.50 2.12 -0.79 -5.00 118.70 120.18 1vad s GLU 36 Ca -0.07 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.51 1vad s GLU 36 Cb -0.01 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 32.11 1vad s GLU 36 CO 0.06 -0.02 -0.17 0.42 -0.54 0.00 0.00 175.26 175.01 1vad s ILE 37 N 0.85 1.58 -0.01 -3.70 1.01 -1.26 -1.10 121.20 118.57 1vad s ILE 37 Ca -0.07 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1vad s ILE 37 Cb -0.15 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1vad s ILE 37 CO -0.02 0.46 -0.13 -1.10 0.00 0.00 0.00 174.94 174.15 1vad s GLN 38 N 0.76 1.05 -0.11 2.79 -0.21 0.02 -4.99 119.66 118.96 1vad s GLN 38 Ca -0.11 -0.46 -0.03 0.00 0.02 0.00 0.00 55.36 54.78 1vad s GLN 38 Cb -0.16 -1.01 -0.03 0.00 1.00 0.00 0.00 33.01 32.81 1vad s GLN 38 CO 0.02 0.28 -0.01 -1.64 -2.12 0.00 0.00 175.29 171.82 1vad s MET 39 N -0.30 3.26 -0.04 2.91 -1.94 -1.26 -0.03 119.30 121.90 1vad s MET 39 Ca 0.05 -0.45 0.04 0.00 -1.71 0.00 0.00 55.69 53.62 1vad s MET 39 Cb -0.05 -2.85 -0.00 0.00 2.01 0.00 0.00 34.83 33.94 1vad s MET 39 CO -0.00 0.52 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.85 1vad s LEU 40 N -0.39 1.92 -0.23 -0.03 1.43 0.30 -1.00 118.68 120.68 1vad s LEU 40 Ca 0.07 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1vad s LEU 40 Cb -0.12 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1vad s LEU 40 CO 0.02 0.16 -0.02 -0.75 0.23 0.00 0.00 176.35 175.98 1vad s LYS 41 N -0.02 3.33 -1.51 1.70 2.20 0.13 -1.62 119.74 123.95 1vad s LYS 41 Ca -0.02 -0.66 -0.13 0.00 -0.36 0.00 0.00 55.97 54.80 1vad s LYS 41 Cb -0.11 -3.07 0.08 0.00 -1.51 0.00 0.00 37.83 33.22 1vad s LYS 41 CO 0.02 -0.24 0.98 0.09 -0.36 0.00 0.00 175.35 175.84 1vad n ASN 42 N 4.81 -5.05 0.00 1.43 3.02 0.24 -0.76 115.26 118.95 1vad n ASN 42 Ca -0.18 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1vad n ASN 42 Cb 0.50 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 1vad n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vad n GLY 43 N -1.71 1.56 3.66 7.41 0.00 -1.26 -5.01 105.19 109.85 1vad n GLY 43 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1vad n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vad s LYS 44 N -0.01 2.68 0.06 1.61 2.20 0.06 -5.03 119.74 121.31 1vad s LYS 44 Ca 0.00 -0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 54.62 1vad s LYS 44 Cb 0.00 -2.60 -0.07 0.00 -1.51 0.00 0.00 37.83 33.65 1vad s LYS 44 CO 0.00 0.60 1.41 0.21 -0.36 0.00 0.00 175.35 177.21 1vad s LYS 45 N -1.69 4.30 -0.00 4.03 2.20 -1.26 0.18 119.74 127.50 1vad s LYS 45 Ca 0.20 2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.56 1vad s LYS 45 Cb -0.11 -3.41 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1vad s LYS 45 CO 0.11 -0.51 0.92 0.42 -0.36 0.00 0.00 175.35 175.94 1vad s ILE 46 N 1.74 4.87 -0.03 5.43 1.01 -0.17 -4.87 121.20 129.18 1vad s ILE 46 Ca 0.65 1.94 -0.10 0.00 0.00 0.00 0.00 60.65 63.14 1vad s ILE 46 Cb -0.35 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.80 1vad s ILE 46 CO 0.29 0.19 0.53 -0.65 0.00 0.00 0.00 174.94 175.30 1vad h PRO 47 N 6.68 -0.34 -5.02 2.79 0.11 -1.95 -3.41 132.00 130.86 1vad h PRO 47 Ca -0.41 0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.08 1vad h PRO 47 Cb 1.21 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 1vad h PRO 47 CO 0.75 -0.22 2.38 1.17 -0.21 0.00 0.00 178.00 181.86 1vad n LYS 48 N -4.09 2.67 -4.11 1.05 4.81 -1.26 -4.91 118.16 112.32 1vad n LYS 48 Ca -0.04 -2.77 -0.34 0.00 -0.87 0.00 0.00 58.31 54.28 1vad n LYS 48 Cb 0.14 -3.39 -0.15 0.00 0.02 0.00 0.00 35.03 31.65 1vad n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1vad s VAL 49 N 4.90 2.82 -0.11 3.15 1.01 -1.26 -4.58 120.40 126.33 1vad s VAL 49 Ca 0.54 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1vad s VAL 49 Cb 0.08 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1vad s VAL 49 CO 0.04 0.48 0.32 -1.61 0.00 0.00 0.00 175.10 174.33 1vad s GLU 50 N 1.26 4.08 -0.22 2.72 2.02 0.85 -4.87 118.70 124.53 1vad s GLU 50 Ca 0.03 0.18 -0.08 0.00 0.02 0.00 0.00 54.97 55.12 1vad s GLU 50 Cb -0.14 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1vad s GLU 50 CO -0.06 0.41 0.10 -1.64 0.02 0.00 0.00 175.26 174.09 1vad s MET 51 N -0.10 3.94 0.29 1.61 -1.94 -1.26 -0.30 119.30 121.55 1vad s MET 51 Ca 0.19 -0.35 -0.04 0.00 -1.71 0.00 0.00 55.69 53.78 1vad s MET 51 Cb -0.14 -3.34 0.02 0.00 2.01 0.00 0.00 34.83 33.37 1vad s MET 51 CO 0.07 0.11 0.46 -1.13 -0.01 0.00 0.00 175.02 174.51 1vad n SER 52 N 4.08 -1.29 -3.76 3.03 3.41 0.13 -4.97 113.62 114.24 1vad n SER 52 Ca -0.16 -2.47 -0.27 0.00 -0.26 0.00 0.00 58.87 55.72 1vad n SER 52 Cb 0.52 2.31 0.05 0.00 -0.26 0.00 0.00 64.21 66.83 1vad n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vad n ASP 53 N -1.64 -4.83 -4.74 4.04 9.92 -1.26 -0.61 116.55 117.43 1vad n ASP 53 Ca -0.01 -0.69 -0.41 0.00 -0.53 0.00 0.00 54.79 53.15 1vad n ASP 53 Cb 0.47 -4.36 -0.05 0.00 -0.64 0.00 0.00 41.12 36.55 1vad n ASP 53 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 1vad s MET 54 N -6.39 4.70 0.20 -1.24 1.75 -1.26 -4.43 119.30 112.63 1vad s MET 54 Ca 0.54 1.61 -0.23 0.00 -1.25 0.00 0.00 55.69 56.36 1vad s MET 54 Cb -0.26 -3.28 0.06 0.00 2.84 0.00 0.00 34.83 34.19 1vad s MET 54 CO 0.79 0.26 0.91 -1.54 -0.65 0.00 0.00 175.02 174.79 1vad s SER 55 N -0.55 -0.16 0.25 1.11 1.04 -0.85 -5.01 113.70 109.52 1vad s SER 55 Ca 0.45 -0.52 0.11 0.00 0.48 0.00 0.00 55.95 56.48 1vad s SER 55 Cb -0.28 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1vad s SER 55 CO 0.34 -1.05 -0.21 -0.36 0.98 0.00 0.00 173.24 172.95 1vad s PHE 56 N -3.25 2.25 0.06 5.02 0.08 -1.26 -1.19 117.98 119.68 1vad s PHE 56 Ca 0.13 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.83 1vad s PHE 56 Cb -0.03 -1.02 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 1vad s PHE 56 CO 0.04 0.62 0.08 -1.13 -0.10 0.00 0.00 175.22 174.73 1vad n SER 57 N -0.31 0.12 -0.15 1.36 3.41 -0.56 -4.92 113.62 112.56 1vad n SER 57 Ca -0.08 -1.10 -0.02 0.00 -0.26 0.00 0.00 58.87 57.41 1vad n SER 57 Cb 0.59 -0.05 0.20 0.00 -0.26 0.00 0.00 64.21 64.68 1vad n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1vad h LYS 58 N 0.00 0.87 -0.02 4.33 1.57 -2.01 -2.11 116.57 119.21 1vad h LYS 58 Ca -0.03 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1vad h LYS 58 Cb 0.10 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1vad h LYS 58 CO 0.03 0.74 0.00 -0.40 -0.57 0.00 0.00 179.45 179.25 1vad n ASP 59 N -4.30 0.27 0.00 0.86 5.75 -1.26 -4.90 116.55 112.97 1vad n ASP 59 Ca 0.05 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1vad n ASP 59 Cb 0.19 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1vad n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1vad n TRP 60 N -0.68 0.00 -2.27 2.11 7.02 -0.79 -5.04 117.44 117.79 1vad n TRP 60 Ca 0.18 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.31 1vad n TRP 60 Cb 0.12 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.01 1vad n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1vad s SER 61 N -2.90 5.81 0.33 -0.99 1.04 -1.26 -4.63 113.70 111.10 1vad s SER 61 Ca 0.00 2.09 -0.20 0.00 0.48 0.00 0.00 55.95 58.32 1vad s SER 61 Cb 0.00 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 1vad s SER 61 CO 0.00 -1.15 0.84 -0.36 0.98 0.00 0.00 173.24 173.54 1vad s PHE 62 N -1.91 3.47 -0.05 5.02 0.40 -0.22 -1.50 117.98 123.20 1vad s PHE 62 Ca 0.71 1.48 0.02 0.00 -0.60 0.00 0.00 56.93 58.53 1vad s PHE 62 Cb -0.21 -2.72 0.02 0.00 0.51 0.00 0.00 43.02 40.61 1vad s PHE 62 CO 0.27 0.10 -0.08 0.71 0.70 0.00 0.00 175.22 176.93 1vad s TYR 63 N -1.88 1.00 -0.02 0.36 1.51 -0.34 -0.65 117.35 117.34 1vad s TYR 63 Ca 0.53 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 56.23 1vad s TYR 63 Cb -0.13 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1vad s TYR 63 CO 0.18 -0.20 0.12 -1.50 -1.11 0.00 0.00 175.55 173.04 1vad s ILE 64 N 0.70 0.05 -0.14 2.71 1.10 -0.17 -2.01 121.20 123.43 1vad s ILE 64 Ca -0.11 -0.44 0.02 0.00 -0.51 0.00 0.00 60.65 59.60 1vad s ILE 64 Cb -0.14 -0.32 0.00 0.00 0.15 0.00 0.00 42.46 42.15 1vad s ILE 64 CO 0.01 -0.24 -0.19 -0.22 -2.11 0.00 0.00 174.94 172.19 1vad s LEU 65 N -0.82 2.29 -0.11 8.50 2.96 0.22 -1.22 118.68 130.49 1vad s LEU 65 Ca -0.09 -0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 53.26 1vad s LEU 65 Cb -0.05 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1vad s LEU 65 CO 0.01 0.09 -0.04 0.00 -1.32 0.00 0.00 176.35 175.08 1vad s ALA 66 N 0.79 3.04 -0.02 5.97 0.00 -0.02 0.17 121.76 131.69 1vad s ALA 66 Ca -0.07 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 1vad s ALA 66 Cb -0.16 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 21.57 1vad s ALA 66 CO -0.00 0.40 0.42 -3.38 0.00 0.00 0.00 175.76 173.19 1vad s HIS 67 N -0.24 -0.32 0.06 0.00 -3.43 0.59 -0.63 115.29 111.32 1vad s HIS 67 Ca 0.04 0.49 -0.11 0.00 -0.80 0.00 0.00 55.06 54.68 1vad s HIS 67 Cb -0.13 0.19 0.01 0.00 -1.43 0.00 0.00 32.58 31.22 1vad s HIS 67 CO 0.02 -0.47 0.24 -0.08 -2.00 0.00 0.00 174.74 172.45 1vad s THR 68 N -1.40 0.11 0.14 -5.38 -1.32 -0.82 -0.11 115.64 106.86 1vad s THR 68 Ca -0.12 -0.88 -0.16 0.00 -1.21 0.00 0.00 61.69 59.33 1vad s THR 68 Cb -0.03 -1.03 -0.07 0.00 -1.51 0.00 0.00 72.50 69.86 1vad s THR 68 CO 0.05 -0.48 0.57 -1.61 -2.21 0.00 0.00 174.62 170.93 1vad s GLU 69 N -2.91 4.04 0.23 7.08 2.02 -1.26 -0.24 118.70 127.65 1vad s GLU 69 Ca -0.02 0.57 -0.16 0.00 0.02 0.00 0.00 54.97 55.38 1vad s GLU 69 Cb 0.00 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.26 1vad s GLU 69 CO -0.06 0.50 0.52 -0.59 0.02 0.00 0.00 175.26 175.65 1vad s PHE 70 N -1.40 0.10 -0.26 1.61 -0.71 0.13 -4.88 117.98 112.57 1vad s PHE 70 Ca 0.36 -0.47 -0.00 0.00 -1.04 0.00 0.00 56.93 55.79 1vad s PHE 70 Cb -0.16 0.33 0.07 0.00 -1.21 0.00 0.00 43.02 42.05 1vad s PHE 70 CO 0.19 -0.98 0.01 0.99 -1.34 0.00 0.00 175.22 174.09 1vad s THR 71 N -3.94 1.24 0.48 -4.49 2.01 -1.26 0.11 115.64 109.79 1vad s THR 71 Ca 0.15 -1.26 -0.23 0.00 0.31 0.00 0.00 61.69 60.66 1vad s THR 71 Cb -0.01 -1.71 -0.08 0.00 0.01 0.00 0.00 72.50 70.71 1vad s THR 71 CO 0.04 -0.33 1.23 -0.81 -0.69 0.00 0.00 174.62 174.05 1vad n PRO 72 N 4.74 1.66 -4.06 4.92 -0.04 -1.25 -4.73 135.00 136.25 1vad n PRO 72 Ca -0.07 0.60 -0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1vad n PRO 72 Cb 0.44 -2.38 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 1vad n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1vad s THR 73 N -1.28 0.46 -1.21 0.52 2.01 -1.26 -0.77 115.64 114.10 1vad s THR 73 Ca 0.66 -1.17 0.13 0.00 0.31 0.00 0.00 61.69 61.62 1vad s THR 73 Cb -0.47 -0.69 0.17 0.00 0.01 0.00 0.00 72.50 71.51 1vad s THR 73 CO 0.54 -0.48 1.37 1.21 -0.69 0.00 0.00 174.62 176.57 1vad n GLU 74 N 1.28 0.09 0.00 4.92 4.07 -1.26 -2.92 120.64 126.82 1vad n GLU 74 Ca -0.22 0.22 0.04 0.00 -0.06 0.00 0.00 57.16 57.15 1vad n GLU 74 Cb 0.56 -1.50 -0.03 0.00 -0.06 0.00 0.00 31.44 30.40 1vad n GLU 74 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1vad n THR 75 N -1.39 0.00 -3.27 6.31 -2.24 -1.26 -5.00 114.28 107.43 1vad n THR 75 Ca 0.05 -0.34 -0.38 0.00 -2.27 0.00 0.00 64.05 61.11 1vad n THR 75 Cb 0.13 1.04 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1vad n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1vad s ASP 76 N -1.62 6.90 -0.08 3.42 1.01 -1.15 -5.05 116.67 120.10 1vad s ASP 76 Ca 0.05 1.07 0.02 0.00 0.71 0.00 0.00 52.55 54.39 1vad s ASP 76 Cb 0.07 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 1vad s ASP 76 CO 0.31 0.12 -0.12 0.42 0.21 0.00 0.00 175.17 176.11 1vad s THR 77 N -0.18 3.21 0.06 -1.27 -4.23 -1.26 -4.78 115.64 107.18 1vad s THR 77 Ca 0.29 -0.65 0.09 0.00 -1.18 0.00 0.00 61.69 60.24 1vad s THR 77 Cb -0.17 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1vad s THR 77 CO 0.15 0.57 -0.25 -0.31 -0.54 0.00 0.00 174.62 174.24 1vad s TYR 78 N -0.38 2.20 0.19 3.99 1.51 -1.26 -0.59 117.35 123.00 1vad s TYR 78 Ca 0.04 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.58 1vad s TYR 78 Cb -0.12 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1vad s TYR 78 CO 0.02 0.16 0.40 0.00 -1.11 0.00 0.00 175.55 175.01 1vad s ALA 79 N -0.86 -0.37 -0.12 3.71 0.00 -0.64 -0.84 121.76 122.64 1vad s ALA 79 Ca 0.11 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1vad s ALA 79 Cb -0.10 0.88 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1vad s ALA 79 CO 0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 175.76 174.97 1vad s ARG 81 N 1.61 3.59 -0.03 0.00 3.52 0.96 -0.42 118.95 128.19 1vad s ARG 81 Ca 0.04 -0.52 0.06 0.00 -0.13 0.00 0.00 55.73 55.18 1vad s ARG 81 Cb -0.13 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.06 1vad s ARG 81 CO -0.08 -0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.19 1vad s VAL 82 N 1.35 2.64 -0.06 7.11 1.01 0.85 -0.80 120.40 132.50 1vad s VAL 82 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1vad s VAL 82 Cb -0.15 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1vad s VAL 82 CO 0.02 0.56 -0.15 -0.54 0.00 0.00 0.00 175.10 174.98 1vad s LYS 83 N -0.77 1.90 -0.17 2.72 1.02 -0.26 -0.62 119.74 123.56 1vad s LYS 83 Ca 0.11 -0.54 -0.23 0.00 0.02 0.00 0.00 55.97 55.33 1vad s LYS 83 Cb -0.10 -1.57 0.06 0.00 -0.52 0.00 0.00 37.83 35.70 1vad s LYS 83 CO 0.00 0.12 0.60 -1.58 -0.92 0.00 0.00 175.35 173.58 1vad s HIS 84 N 0.40 -0.62 0.60 3.18 2.46 -1.26 -1.89 115.29 118.15 1vad s HIS 84 Ca -0.11 1.39 0.28 0.00 0.47 0.00 0.00 55.06 57.09 1vad s HIS 84 Cb -0.14 0.26 1.24 0.00 -0.13 0.00 0.00 32.58 33.81 1vad s HIS 84 CO 0.04 -0.40 1.63 -0.44 -2.47 0.00 0.00 174.74 173.10 1vad h ASP 85 N 4.52 0.00 0.44 9.88 3.32 -1.95 0.12 116.42 132.74 1vad h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1vad h ASP 85 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1vad h ASP 85 CO 0.21 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.19 1vad n SER 86 N -3.48 0.00 -4.36 6.45 3.41 -1.26 -4.80 113.62 109.58 1vad n SER 86 Ca 0.15 -0.15 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1vad n SER 86 Cb 1.07 -0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.62 1vad n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1vad s MET 87 N -2.52 1.87 0.09 4.33 -1.94 0.41 -4.93 119.30 116.62 1vad s MET 87 Ca 0.26 -1.07 -0.17 0.00 -1.71 0.00 0.00 55.69 52.99 1vad s MET 87 Cb 0.17 -2.02 -0.07 0.00 2.01 0.00 0.00 34.83 34.92 1vad s MET 87 CO 0.38 0.52 1.49 0.00 -0.01 0.00 0.00 175.02 177.41 1vad h ALA 88 N 4.80 0.39 -2.24 3.03 0.00 -1.87 -3.45 119.26 119.93 1vad h ALA 88 Ca -0.46 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 1vad h ALA 88 Cb 1.14 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1vad h ALA 88 CO 0.44 0.20 -0.69 -1.21 0.00 0.00 0.00 179.25 177.99 1vad s GLU 89 N -4.78 0.86 0.25 0.00 2.02 -1.26 -5.12 118.70 110.66 1vad s GLU 89 Ca -0.13 -1.35 -0.31 0.00 0.02 0.00 0.00 54.97 53.19 1vad s GLU 89 Cb 0.08 -0.22 -0.13 0.00 0.10 0.00 0.00 34.13 33.97 1vad s GLU 89 CO 0.77 -0.02 1.53 -2.30 0.02 0.00 0.00 175.26 175.26 1vad n PRO 90 N -0.06 2.37 -3.59 0.39 -0.02 -1.26 -4.93 135.00 127.90 1vad n PRO 90 Ca -0.12 0.85 -0.36 0.00 -2.02 0.00 0.00 63.50 61.85 1vad n PRO 90 Cb 0.61 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1vad n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1vad s LYS 91 N -0.16 4.14 -0.25 -0.52 2.20 0.21 -4.89 119.74 120.47 1vad s LYS 91 Ca 0.68 0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 56.33 1vad s LYS 91 Cb -0.58 -3.39 0.03 0.00 -1.51 0.00 0.00 37.83 32.39 1vad s LYS 91 CO 0.46 0.33 -0.06 0.99 -0.36 0.00 0.00 175.35 176.72 1vad s THR 92 N 0.19 2.81 -0.20 3.43 2.01 -1.26 -0.10 115.64 122.51 1vad s THR 92 Ca 0.16 -1.12 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 1vad s THR 92 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1vad s THR 92 CO 0.04 0.15 0.06 -0.69 -0.69 0.00 0.00 174.62 173.49 1vad s VAL 93 N 1.29 4.64 0.18 3.82 1.01 0.44 -4.89 120.40 126.88 1vad s VAL 93 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1vad s VAL 93 Cb -0.17 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 1vad s VAL 93 CO -0.04 0.42 0.47 -0.31 0.00 0.00 0.00 175.10 175.64 1vad s TYR 94 N 0.75 3.47 -0.22 5.22 1.51 -1.26 0.09 117.35 126.92 1vad s TYR 94 Ca 0.03 0.77 -0.29 0.00 -1.01 0.00 0.00 57.07 56.57 1vad s TYR 94 Cb -0.13 -2.17 -0.01 0.00 -0.11 0.00 0.00 41.96 39.54 1vad s TYR 94 CO 0.02 0.37 1.26 -0.46 -1.11 0.00 0.00 175.55 175.63 1vad s TRP 95 N -1.69 2.82 -0.53 2.71 -0.00 -0.02 -4.88 118.94 117.36 1vad s TRP 95 Ca 0.43 0.99 -0.14 0.00 -0.00 0.00 0.00 56.10 57.37 1vad s TRP 95 Cb -0.12 -3.62 0.13 0.00 -0.00 0.00 0.00 33.47 29.85 1vad s TRP 95 CO 0.22 -1.63 0.47 0.34 -0.00 0.00 0.00 176.95 176.35 1vad s ASP 96 N 2.21 6.09 0.00 5.86 2.15 -1.26 -4.79 116.67 126.92 1vad s ASP 96 Ca 0.55 -1.84 0.23 0.00 0.43 0.00 0.00 52.55 51.92 1vad s ASP 96 Cb -0.20 -2.16 1.25 0.00 -0.30 0.00 0.00 42.92 41.51 1vad s ASP 96 CO 0.17 -0.82 1.75 -2.11 -0.17 0.00 0.00 175.17 174.00 1vad n ARG 97 N 5.14 0.48 -0.03 4.34 1.85 -1.26 -2.77 116.66 124.42 1vad n ARG 97 Ca -0.12 0.04 0.11 0.00 -1.00 0.00 0.00 57.85 56.88 1vad n ARG 97 Cb 0.40 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.42 1vad n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1vad n ASP 98 N -1.18 2.86 0.00 2.89 8.00 -1.26 -4.91 116.55 122.96 1vad n ASP 98 Ca 0.13 -1.90 0.03 0.00 0.71 0.00 0.00 54.79 53.77 1vad n ASP 98 Cb 0.14 -0.04 0.17 0.00 -0.02 0.00 0.00 41.12 41.37 1vad n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61