#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzv s GLN 2 N 0.00 4.10 0.06 0.00 0.00 -1.26 -1.77 119.66 120.78 1zzv s GLN 2 Ca 0.00 0.96 -0.12 0.00 -0.00 0.00 0.00 55.36 56.20 1zzv s GLN 2 Cb 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 33.01 30.80 1zzv s GLN 2 CO 0.00 -0.05 0.27 0.54 0.00 0.00 0.00 175.29 176.06 1zzv s VAL 3 N -2.25 0.10 -0.24 3.63 0.11 -1.02 -4.94 120.40 115.79 1zzv s VAL 3 Ca 0.59 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1zzv s VAL 3 Cb -0.09 -1.01 0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1zzv s VAL 3 CO 0.19 -0.43 -0.02 0.21 -3.33 0.00 0.00 175.10 171.71 1zzv s ASN 4 N -2.25 3.75 0.08 3.54 3.84 -1.26 -3.62 114.94 119.02 1zzv s ASN 4 Ca -0.03 -1.19 0.05 0.00 0.21 0.00 0.00 52.86 51.90 1zzv s ASN 4 Cb 0.00 -1.08 -0.03 0.00 -0.55 0.00 0.00 41.25 39.59 1zzv s ASN 4 CO -0.05 -0.26 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.23 1zzv s ILE 5 N 1.46 1.08 0.28 -5.21 1.01 0.54 -4.98 121.20 115.39 1zzv s ILE 5 Ca -0.03 -1.38 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 1zzv s ILE 5 Cb -0.18 -1.13 0.05 0.00 0.01 0.00 0.00 42.46 41.20 1zzv s ILE 5 CO -0.08 -0.30 0.83 0.00 0.00 0.00 0.00 174.94 175.39 1zzv s ALA 6 N -1.52 -1.18 0.10 9.38 0.00 -1.26 -1.37 121.76 125.91 1zzv s ALA 6 Ca -0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 1zzv s ALA 6 Cb -0.09 0.74 -0.17 0.00 0.00 0.00 0.00 23.12 23.61 1zzv s ALA 6 CO 0.02 -1.03 0.71 -2.30 0.00 0.00 0.00 175.76 173.16 1zzv n PRO 7 N -0.52 0.00 0.00 0.00 -0.02 -1.19 -4.39 135.00 128.88 1zzv n PRO 7 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1zzv n PRO 7 Cb 0.60 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 1zzv n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zzv n GLY 8 N 1.64 2.62 3.76 -1.23 0.00 -1.17 -4.98 105.19 105.84 1zzv n GLY 8 Ca 0.17 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1zzv n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zzv s SER 9 N 0.00 6.81 0.35 1.61 0.15 -1.26 -0.33 113.70 121.02 1zzv s SER 9 Ca 0.00 2.60 0.04 0.00 0.70 0.00 0.00 55.95 59.29 1zzv s SER 9 Cb 0.00 -2.64 0.67 0.00 -1.71 0.00 0.00 66.02 62.34 1zzv s SER 9 CO 0.00 -0.53 1.96 0.25 1.20 0.00 0.00 173.24 176.12 1zzv h LEU 10 N 4.06 0.73 -0.23 3.45 5.85 -0.39 -1.12 115.31 127.67 1zzv h LEU 10 Ca -0.47 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.29 1zzv h LEU 10 Cb 1.22 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 1zzv h LEU 10 CO 0.70 0.49 -0.09 -2.24 -0.34 0.00 0.00 178.44 176.95 1zzv h ASP 11 N 0.84 -0.32 -0.32 1.25 3.04 -1.90 0.12 116.42 119.14 1zzv h ASP 11 Ca 0.31 0.08 -0.05 0.00 -3.24 0.00 0.00 57.03 54.13 1zzv h ASP 11 Cb 0.16 0.19 -0.02 0.00 -1.04 0.00 0.00 39.33 38.62 1zzv h ASP 11 CO -0.10 -0.12 0.04 0.50 -2.04 0.00 0.00 179.24 177.52 1zzv h LYS 12 N -0.06 0.64 0.23 4.15 3.64 -1.64 -0.79 116.57 122.74 1zzv h LYS 12 Ca 0.12 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1zzv h LYS 12 Cb 0.24 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1zzv h LYS 12 CO -0.27 0.63 -0.11 0.00 -2.27 0.00 0.00 179.45 177.43 1zzv h ALA 13 N 1.43 -0.31 -0.90 5.00 0.00 -0.29 0.17 119.26 124.36 1zzv h ALA 13 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1zzv h ALA 13 Cb 0.33 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1zzv h ALA 13 CO 0.01 -0.61 0.58 -0.07 0.00 0.00 0.00 179.25 179.16 1zzv h LEU 14 N -0.43 0.89 -1.16 0.00 3.38 -0.72 -2.02 115.31 115.26 1zzv h LEU 14 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1zzv h LEU 14 Cb 0.33 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1zzv h LEU 14 CO 0.05 0.57 0.42 -1.13 0.09 0.00 0.00 178.44 178.44 1zzv h ASN 15 N 1.01 0.89 -0.86 -0.43 -0.73 -0.45 0.87 115.58 115.87 1zzv h ASN 15 Ca 0.39 -0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.47 1zzv h ASN 15 Cb 0.22 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 1zzv h ASN 15 CO -0.15 0.70 0.42 1.56 -0.37 0.00 0.00 177.43 179.59 1zzv h GLN 16 N 1.01 1.23 -0.30 6.67 4.20 -0.23 0.14 115.11 127.84 1zzv h GLN 16 Ca 0.26 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1zzv h GLN 16 Cb -0.01 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1zzv h GLN 16 CO -0.05 0.94 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.99 1zzv h TYR 17 N 1.22 0.72 -0.62 2.96 5.03 -1.18 -2.44 116.97 122.67 1zzv h TYR 17 Ca 0.30 -0.18 0.11 0.00 2.58 0.00 0.00 58.73 61.54 1zzv h TYR 17 Cb 0.11 -0.17 -0.08 0.00 1.55 0.00 0.00 36.73 38.14 1zzv h TYR 17 CO 0.01 0.86 0.18 0.00 -1.32 0.00 0.00 178.16 177.89 1zzv h ALA 18 N 0.75 0.77 0.00 1.82 0.00 -0.37 -0.33 119.26 121.91 1zzv h ALA 18 Ca 0.07 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1zzv h ALA 18 Cb 0.67 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1zzv h ALA 18 CO 0.04 -0.26 -0.20 0.00 0.00 0.00 0.00 179.25 178.83 1zzv h ALA 19 N 1.46 1.57 0.49 0.00 0.00 -0.60 0.18 119.26 122.36 1zzv h ALA 19 Ca 0.32 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1zzv h ALA 19 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1zzv h ALA 19 CO -0.37 0.26 -0.23 1.25 0.00 0.00 0.00 179.25 180.15 1zzv h HIS 20 N 0.00 -0.61 -0.00 0.00 6.17 -0.56 -3.25 115.15 116.90 1zzv h HIS 20 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1zzv h HIS 20 Cb 0.38 0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.51 1zzv h HIS 20 CO 0.00 -0.35 -0.91 0.43 0.71 0.00 0.00 177.93 177.81 1zzv n SER 21 N -5.35 1.15 -2.37 3.26 7.64 -1.15 -5.01 113.62 111.80 1zzv n SER 21 Ca -0.12 -1.07 -0.08 0.00 1.01 0.00 0.00 58.87 58.61 1zzv n SER 21 Cb 0.29 0.92 0.04 0.00 -1.01 0.00 0.00 64.21 64.45 1zzv n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzv n GLY 22 N 1.48 -0.10 3.72 0.23 0.00 0.60 -5.07 105.19 106.07 1zzv n GLY 22 Ca 0.05 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1zzv n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zzv s PHE 23 N -3.20 2.66 -0.38 1.61 -0.71 -1.08 -5.05 117.98 111.83 1zzv s PHE 23 Ca 0.14 -0.45 -0.22 0.00 -1.04 0.00 0.00 56.93 55.36 1zzv s PHE 23 Cb -0.02 -1.72 0.01 0.00 -1.21 0.00 0.00 43.02 40.08 1zzv s PHE 23 CO 0.39 0.30 0.71 0.99 -1.34 0.00 0.00 175.22 176.27 1zzv s THR 24 N -2.49 4.79 -0.14 -4.49 2.01 -1.26 -4.83 115.64 109.23 1zzv s THR 24 Ca 0.39 0.62 -0.08 0.00 0.31 0.00 0.00 61.69 62.93 1zzv s THR 24 Cb -0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1zzv s THR 24 CO 0.22 -0.45 0.14 -0.22 -0.69 0.00 0.00 174.62 173.63 1zzv s LEU 25 N 2.95 4.33 -0.61 4.42 0.20 -1.26 -2.21 118.68 126.49 1zzv s LEU 25 Ca 0.28 0.40 -0.15 0.00 0.69 0.00 0.00 54.13 55.35 1zzv s LEU 25 Cb -0.14 -2.08 0.15 0.00 -0.43 0.00 0.00 46.19 43.69 1zzv s LEU 25 CO 0.17 0.33 0.56 -0.44 -0.29 0.00 0.00 176.35 176.68 1zzv s SER 26 N -0.57 6.30 0.00 3.68 0.01 -1.10 -4.98 113.70 117.04 1zzv s SER 26 Ca 0.13 -2.05 -0.08 0.00 1.31 0.00 0.00 55.95 55.25 1zzv s SER 26 Cb -0.12 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1zzv s SER 26 CO 0.02 -0.77 0.16 0.54 0.41 0.00 0.00 173.24 173.61 1zzv s VAL 27 N 1.18 0.08 -0.09 3.43 0.11 -1.26 -1.68 120.40 122.17 1zzv s VAL 27 Ca 0.07 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1zzv s VAL 27 Cb -0.24 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 1zzv s VAL 27 CO -0.01 -0.38 -0.07 -0.62 -3.33 0.00 0.00 175.10 170.69 1zzv s ASP 28 N -1.44 1.93 -0.24 3.54 2.15 -1.26 -5.04 116.67 116.31 1zzv s ASP 28 Ca -0.14 -0.26 -0.22 0.00 0.43 0.00 0.00 52.55 52.36 1zzv s ASP 28 Cb -0.07 -0.76 -0.24 0.00 -0.30 0.00 0.00 42.92 41.54 1zzv s ASP 28 CO 0.02 -0.09 1.60 0.00 -0.17 0.00 0.00 175.17 176.53 1zzv n ALA 29 N 4.66 1.69 0.00 3.66 0.00 -1.26 -2.11 120.51 127.15 1zzv n ALA 29 Ca -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 53.44 50.94 1zzv n ALA 29 Cb 0.50 -3.47 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1zzv n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1zzv n SER 30 N 7.67 0.00 -0.04 0.00 2.88 -1.26 -4.94 113.62 117.93 1zzv n SER 30 Ca 0.40 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.85 1zzv n SER 30 Cb 0.33 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.87 1zzv n SER 30 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1zzv h LEU 31 N 0.00 0.70 -3.59 2.46 3.38 -1.87 -3.01 115.31 113.39 1zzv h LEU 31 Ca 0.00 -0.30 -0.43 0.00 0.09 0.00 0.00 57.88 57.24 1zzv h LEU 31 Cb 0.00 -0.20 -0.20 0.00 0.09 0.00 0.00 40.66 40.35 1zzv h LEU 31 CO 0.00 1.00 0.56 0.35 0.09 0.00 0.00 178.44 180.43 1zzv n THR 32 N -4.05 2.93 -2.00 0.22 -2.24 -1.26 -4.94 114.28 102.94 1zzv n THR 32 Ca -0.01 -1.90 -0.41 0.00 -2.27 0.00 0.00 64.05 59.46 1zzv n THR 32 Cb 0.50 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.64 1zzv n THR 32 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1zzv s ARG 33 N -2.51 3.04 0.00 -0.78 3.00 -1.14 -1.37 118.95 119.18 1zzv s ARG 33 Ca 0.43 1.12 0.00 0.00 -1.00 0.00 0.00 55.73 56.28 1zzv s ARG 33 Cb 0.34 -4.28 0.00 0.00 0.00 0.00 0.00 34.95 31.02 1zzv s ARG 33 CO 0.02 -2.22 0.00 0.41 0.00 0.00 0.00 175.30 173.51 1zzv n GLY 34 N 5.53 0.64 3.24 8.12 0.00 -1.26 -5.02 105.19 116.44 1zzv n GLY 34 Ca 0.22 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1zzv n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zzv s LYS 35 N -1.01 3.04 0.21 1.61 2.47 -0.47 -5.06 119.74 120.53 1zzv s LYS 35 Ca 0.00 -2.26 0.05 0.00 -1.56 0.00 0.00 55.97 52.20 1zzv s LYS 35 Cb 0.00 -4.13 -0.03 0.00 -1.46 0.00 0.00 37.83 32.20 1zzv s LYS 35 CO 0.00 -1.25 0.26 -0.65 0.16 0.00 0.00 175.35 173.87 1zzv s GLN 36 N 0.50 3.20 -0.04 4.03 -0.21 -1.26 0.35 119.66 126.23 1zzv s GLN 36 Ca 0.14 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.72 1zzv s GLN 36 Cb -0.18 -2.77 -0.00 0.00 1.00 0.00 0.00 33.01 31.06 1zzv s GLN 36 CO -0.05 0.45 -0.16 0.45 -2.12 0.00 0.00 175.29 173.87 1zzv s SER 37 N -3.64 1.97 0.17 5.90 0.15 0.55 -4.73 113.70 114.07 1zzv s SER 37 Ca 0.33 -0.32 0.18 0.00 0.70 0.00 0.00 55.95 56.85 1zzv s SER 37 Cb -0.09 -0.53 0.81 0.00 -1.71 0.00 0.00 66.02 64.49 1zzv s SER 37 CO 0.27 0.14 1.56 0.59 1.20 0.00 0.00 173.24 177.00 1zzv n ASN 38 N 3.16 0.39 0.00 5.45 5.03 -1.26 -3.01 115.26 125.01 1zzv n ASN 38 Ca -0.18 0.62 0.00 0.00 0.87 0.00 0.00 54.58 55.89 1zzv n ASN 38 Cb 0.53 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.60 1zzv n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zzv n GLY 39 N -0.34 1.85 3.62 7.41 0.00 -1.26 -3.20 105.19 113.27 1zzv n GLY 39 Ca 0.02 -2.13 -0.01 0.00 0.00 0.00 0.00 46.02 43.90 1zzv n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zzv s LEU 40 N 0.00 -1.07 -0.29 0.99 2.96 -0.47 -4.82 118.68 115.97 1zzv s LEU 40 Ca 0.00 1.48 -0.02 0.00 -0.22 0.00 0.00 54.13 55.37 1zzv s LEU 40 Cb 0.00 2.23 0.12 0.00 0.50 0.00 0.00 46.19 49.04 1zzv s LEU 40 CO 0.00 -0.21 0.23 -1.38 -1.32 0.00 0.00 176.35 173.68 1zzv s HIS 41 N 2.82 -0.13 0.14 5.38 -3.43 -1.26 -0.34 115.29 118.47 1zzv s HIS 41 Ca -0.06 -0.50 -0.17 0.00 -0.80 0.00 0.00 55.06 53.53 1zzv s HIS 41 Cb -0.11 -0.64 0.06 0.00 -1.43 0.00 0.00 32.58 30.46 1zzv s HIS 41 CO -0.19 -0.89 0.83 0.41 -2.00 0.00 0.00 174.74 172.91 1zzv n GLY 42 N 5.22 0.72 3.29 -1.38 0.00 -1.24 -5.03 105.19 106.77 1zzv n GLY 42 Ca -0.03 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1zzv n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zzv n ASP 43 N -1.14 5.15 -4.72 1.61 2.03 -1.26 -2.42 116.55 115.79 1zzv n ASP 43 Ca -0.01 -3.01 -0.36 0.00 0.52 0.00 0.00 54.79 51.93 1zzv n ASP 43 Cb 0.46 -1.56 -0.08 0.00 -0.72 0.00 0.00 41.12 39.23 1zzv n ASP 43 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1zzv s TYR 44 N 1.41 3.42 0.82 -0.67 1.51 -0.73 -4.85 117.35 118.27 1zzv s TYR 44 Ca 0.43 0.44 -0.11 0.00 -1.01 0.00 0.00 57.07 56.82 1zzv s TYR 44 Cb 0.01 -2.25 0.09 0.00 -0.11 0.00 0.00 41.96 39.70 1zzv s TYR 44 CO 0.01 0.25 1.09 0.34 -1.11 0.00 0.00 175.55 176.12 1zzv s ASP 45 N 0.47 4.12 0.06 2.29 2.15 -1.26 -4.71 116.67 119.79 1zzv s ASP 45 Ca 0.12 1.62 -0.17 0.00 0.43 0.00 0.00 52.55 54.55 1zzv s ASP 45 Cb -0.12 -2.33 -0.06 0.00 -0.30 0.00 0.00 42.92 40.11 1zzv s ASP 45 CO 0.01 -2.25 1.29 0.58 -0.17 0.00 0.00 175.17 174.63 1zzv h VAL 46 N -1.28 0.00 -0.77 1.11 2.07 -1.98 0.25 116.25 115.65 1zzv h VAL 46 Ca -0.46 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1zzv h VAL 46 Cb 1.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1zzv h VAL 46 CO 0.54 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 178.30 1zzv h GLU 47 N -0.28 0.73 -0.10 1.57 4.39 -2.01 -1.94 114.58 116.94 1zzv h GLU 47 Ca 0.02 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1zzv h GLU 47 Cb 0.34 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1zzv h GLU 47 CO -0.25 0.48 -0.59 0.77 -1.16 0.00 0.00 179.01 178.27 1zzv h SER 48 N 0.75 0.36 -0.16 1.42 0.02 -1.67 -2.86 113.55 111.41 1zzv h SER 48 Ca 0.35 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1zzv h SER 48 Cb 0.36 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1zzv h SER 48 CO -0.13 0.87 -0.05 1.23 -1.14 0.00 0.00 176.83 177.61 1zzv h GLY 49 N 1.35 0.35 1.36 -3.77 0.00 -0.17 -2.72 103.07 99.48 1zzv h GLY 49 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1zzv h GLY 49 CO 0.10 0.27 -0.33 1.41 0.00 0.00 0.00 176.54 177.99 1zzv h LEU 50 N 0.02 0.74 -0.57 3.11 4.07 -1.58 -2.35 115.31 118.75 1zzv h LEU 50 Ca 0.04 -0.31 0.08 0.00 0.08 0.00 0.00 57.88 57.77 1zzv h LEU 50 Cb 0.50 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 1zzv h LEU 50 CO 0.02 1.02 0.23 -0.61 -1.08 0.00 0.00 178.44 178.01 1zzv h GLN 51 N 0.60 0.41 -0.21 1.13 4.15 -1.43 -1.35 115.11 118.41 1zzv h GLN 51 Ca 0.06 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1zzv h GLN 51 Cb 0.86 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1zzv h GLN 51 CO 0.07 0.27 0.02 1.96 -1.93 0.00 0.00 178.83 179.22 1zzv h GLN 52 N 0.42 0.35 -0.28 1.69 1.08 -1.31 -3.00 115.11 114.07 1zzv h GLN 52 Ca 0.28 -0.10 0.08 0.00 -1.45 0.00 0.00 58.65 57.46 1zzv h GLN 52 Cb 0.30 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1zzv h GLN 52 CO -0.26 0.52 0.20 -0.07 -0.95 0.00 0.00 178.83 178.27 1zzv h LEU 53 N 0.13 0.00 0.00 1.46 3.38 -0.91 -1.00 115.31 118.37 1zzv h LEU 53 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1zzv h LEU 53 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1zzv h LEU 53 CO 0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1zzv n LEU 54 N -4.40 0.00 -4.56 1.67 4.77 -0.56 -4.71 117.00 109.22 1zzv n LEU 54 Ca 0.04 0.37 -0.28 0.00 -0.03 0.00 0.00 56.01 56.10 1zzv n LEU 54 Cb 0.36 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1zzv n LEU 54 CO 0.35 -0.04 1.47 -0.62 -1.33 0.00 0.00 177.39 177.22 1zzv s ASP 55 N -2.73 4.84 0.00 -1.43 2.15 -0.38 -1.53 116.67 117.58 1zzv s ASP 55 Ca 0.21 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1zzv s ASP 55 Cb 0.18 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 1zzv s ASP 55 CO 0.43 -2.89 0.00 0.61 -0.17 0.00 0.00 175.17 173.15 1zzv n GLY 56 N 6.44 1.26 4.00 2.66 0.00 -1.26 -4.96 105.19 113.33 1zzv n GLY 56 Ca 0.36 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 1zzv n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzv s SER 57 N -0.24 5.46 -0.01 1.61 1.04 -0.58 -5.04 113.70 115.93 1zzv s SER 57 Ca 0.00 -0.34 0.09 0.00 0.48 0.00 0.00 55.95 56.18 1zzv s SER 57 Cb 0.00 -0.61 -0.13 0.00 0.10 0.00 0.00 66.02 65.38 1zzv s SER 57 CO 0.00 -0.96 0.29 0.61 0.98 0.00 0.00 173.24 174.16 1zzv n GLY 58 N -2.06 -0.20 3.26 7.32 0.00 -1.26 -5.01 105.19 107.23 1zzv n GLY 58 Ca 0.09 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1zzv n GLY 58 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1zzv n LEU 59 N -1.57 0.00 -3.67 0.99 -0.00 -1.26 -3.69 117.00 107.80 1zzv n LEU 59 Ca -0.00 -1.69 -0.17 0.00 -0.00 0.00 0.00 56.01 54.15 1zzv n LEU 59 Cb 0.21 -0.59 -0.16 0.00 -0.00 0.00 0.00 43.42 42.88 1zzv n LEU 59 CO 0.20 -0.97 -0.25 -1.10 -0.00 0.00 0.00 177.39 175.27 1zzv s GLN 60 N -4.79 0.03 -0.19 1.47 -0.21 -0.93 -4.93 119.66 110.11 1zzv s GLN 60 Ca 0.57 0.53 -0.13 0.00 0.02 0.00 0.00 55.36 56.35 1zzv s GLN 60 Cb -0.03 -0.29 -0.05 0.00 1.00 0.00 0.00 33.01 33.65 1zzv s GLN 60 CO 0.38 -0.30 0.25 0.08 -2.12 0.00 0.00 175.29 173.58 1zzv s VAL 61 N 2.21 5.32 0.03 1.09 1.01 -1.26 -2.39 120.40 126.41 1zzv s VAL 61 Ca 0.02 0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 1zzv s VAL 61 Cb -0.12 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1zzv s VAL 61 CO -0.05 0.37 0.20 -1.59 0.00 0.00 0.00 175.10 174.02 1zzv s LYS 62 N 0.71 0.68 0.26 2.72 -2.85 -1.12 -4.88 119.74 115.26 1zzv s LYS 62 Ca 0.13 -0.58 -0.31 0.00 -1.00 0.00 0.00 55.97 54.21 1zzv s LYS 62 Cb -0.13 0.28 -0.12 0.00 -2.06 0.00 0.00 37.83 35.80 1zzv s LYS 62 CO 0.03 -0.20 1.59 -2.30 0.10 0.00 0.00 175.35 174.58 1zzv n PRO 63 N 0.77 2.57 0.19 1.78 -0.02 -1.26 -0.93 135.00 138.11 1zzv n PRO 63 Ca -0.19 0.92 0.04 0.00 -2.02 0.00 0.00 63.50 62.24 1zzv n PRO 63 Cb 0.58 -2.69 0.39 0.00 -0.02 0.00 0.00 33.50 31.76 1zzv n PRO 63 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1zzv h LEU 64 N 5.16 0.00 0.00 2.45 5.85 -1.27 -3.45 115.31 124.05 1zzv h LEU 64 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1zzv h LEU 64 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1zzv h LEU 64 CO 0.83 0.35 0.00 0.61 -0.34 0.00 0.00 178.44 179.88 1zzv n GLY 65 N -0.42 -0.07 0.00 3.75 0.00 -1.26 -5.05 105.19 102.13 1zzv n GLY 65 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1zzv n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1zzv n ASN 66 N 0.00 0.00 -3.16 1.61 4.13 -1.26 -4.89 115.26 111.69 1zzv n ASN 66 Ca 0.00 -0.45 -0.34 0.00 1.68 0.00 0.00 54.58 55.47 1zzv n ASN 66 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 1zzv n ASN 66 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1zzv n ASN 67 N -1.35 7.84 -3.61 6.41 5.15 -1.26 -4.75 115.26 123.70 1zzv n ASN 67 Ca 0.00 -2.52 -0.13 0.00 -0.60 0.00 0.00 54.58 51.34 1zzv n ASN 67 Cb 0.00 -1.47 -0.05 0.00 -0.53 0.00 0.00 39.78 37.73 1zzv n ASN 67 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1zzv s SER 68 N 2.34 0.51 0.17 1.20 0.01 -1.26 -4.52 113.70 112.15 1zzv s SER 68 Ca 0.65 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1zzv s SER 68 Cb 0.18 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.97 1zzv s SER 68 CO -0.05 -1.18 0.06 0.26 0.41 0.00 0.00 173.24 172.74 1zzv s TRP 69 N -3.51 1.10 -0.00 2.43 0.51 -0.94 -0.93 118.94 117.60 1zzv s TRP 69 Ca 0.29 -1.19 -0.11 0.00 -2.12 0.00 0.00 56.10 52.98 1zzv s TRP 69 Cb 0.01 -0.61 0.01 0.00 -0.81 0.00 0.00 33.47 32.07 1zzv s TRP 69 CO 0.16 -0.43 0.21 -0.08 -0.51 0.00 0.00 176.95 176.30 1zzv s THR 70 N -3.92 0.07 -0.53 2.01 -1.32 -0.11 -2.71 115.64 109.15 1zzv s THR 70 Ca 0.28 -0.61 -0.20 0.00 -1.21 0.00 0.00 61.69 59.95 1zzv s THR 70 Cb 0.07 -0.53 0.06 0.00 -1.51 0.00 0.00 72.50 70.59 1zzv s THR 70 CO 0.06 -0.34 0.69 -0.22 -2.21 0.00 0.00 174.62 172.60 1zzv s LEU 71 N -1.40 4.86 -0.28 9.08 2.96 -0.68 -2.81 118.68 130.42 1zzv s LEU 71 Ca -0.14 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 52.69 1zzv s LEU 71 Cb -0.06 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 1zzv s LEU 71 CO 0.02 -0.98 0.57 -0.70 -1.32 0.00 0.00 176.35 173.95 1zzv s GLU 72 N 2.87 4.00 -0.35 1.98 2.12 -1.01 -5.03 118.70 123.28 1zzv s GLU 72 Ca 0.17 0.33 -0.25 0.00 0.36 0.00 0.00 54.97 55.58 1zzv s GLU 72 Cb -0.19 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.53 1zzv s GLU 72 CO 0.12 -0.45 0.89 -1.25 -0.54 0.00 0.00 175.26 174.04 1zzv s PRO 73 N 2.44 3.88 -0.47 4.30 0.05 -1.26 -2.19 135.00 141.76 1zzv s PRO 73 Ca 0.23 0.60 0.04 0.00 0.05 0.00 0.00 61.00 61.91 1zzv s PRO 73 Cb -0.15 -3.78 0.22 0.00 0.05 0.00 0.00 34.50 30.83 1zzv s PRO 73 CO 0.10 -0.87 0.88 0.00 0.05 0.00 0.00 177.00 177.16 1zzv n ALA 74 N 6.61 -2.21 -1.36 8.56 0.00 -1.26 -4.98 120.51 125.87 1zzv n ALA 74 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1zzv n ALA 74 Cb 0.48 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1zzv n ALA 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1zzv n PRO 75 N 2.40 0.00 -3.29 0.00 -0.04 -1.24 -4.03 135.00 128.80 1zzv n PRO 75 Ca 0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 1zzv n PRO 75 Cb 0.61 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.01 1zzv n PRO 75 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzv n ALA 76 N -3.00 4.36 -1.63 0.55 0.00 -1.26 -4.69 120.51 114.84 1zzv n ALA 76 Ca 0.00 -4.77 -0.31 0.00 0.00 0.00 0.00 53.44 48.36 1zzv n ALA 76 Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1zzv n ALA 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1zzv n PRO 77 N 0.76 2.65 -0.02 0.00 -0.04 -1.26 -4.50 135.00 132.59 1zzv n PRO 77 Ca 0.30 -2.69 -0.13 0.00 -0.04 0.00 0.00 63.50 60.94 1zzv n PRO 77 Cb 0.39 -2.20 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 1zzv n PRO 77 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1zzv h LYS 78 N 3.11 -0.03 -4.45 0.54 1.63 -2.01 -3.41 116.57 111.95 1zzv h LYS 78 Ca 0.45 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 59.55 1zzv h LYS 78 Cb 0.54 0.01 -0.32 0.00 -0.60 0.00 0.00 32.23 31.86 1zzv h LYS 78 CO 1.03 0.55 -0.51 -1.83 -3.45 0.00 0.00 179.45 175.25 1zzv s GLU 79 N -3.78 2.25 0.00 1.90 -1.05 -1.26 -5.29 118.70 111.46 1zzv s GLU 79 Ca -0.16 -1.70 0.00 0.00 -0.15 0.00 0.00 54.97 52.95 1zzv s GLU 79 Cb 0.01 -3.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.02 1zzv s GLU 79 CO 0.66 -1.05 0.00 -3.47 0.95 0.00 0.00 175.26 172.35