#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mzz s SER 3 N 0.00 0.39 0.01 4.39 0.15 -1.26 -0.90 113.70 116.48 3mzz s SER 3 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 3mzz s SER 3 Cb 0.00 0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 3mzz s SER 3 CO 0.00 -0.27 -0.03 -0.51 1.20 0.00 0.00 173.24 173.63 3mzz s ILE 4 N -1.40 0.17 0.69 6.45 2.07 -0.07 -4.89 121.20 124.22 3mzz s ILE 4 Ca -0.14 -0.56 -0.11 0.00 -1.41 0.00 0.00 60.65 58.43 3mzz s ILE 4 Cb -0.10 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.26 3mzz s ILE 4 CO -0.01 -0.25 1.06 0.42 -1.91 0.00 0.00 174.94 174.25 3mzz s THR 5 N -0.82 4.00 0.34 4.00 -4.23 -1.26 -0.76 115.64 116.90 3mzz s THR 5 Ca -0.08 0.65 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 3mzz s THR 5 Cb -0.06 -3.52 0.13 0.00 1.34 0.00 0.00 72.50 70.40 3mzz s THR 5 CO -0.00 -0.85 1.85 0.71 -0.54 0.00 0.00 174.62 175.78 3mzz h THR 6 N -0.64 1.21 -0.41 3.99 1.35 -1.94 -0.24 112.91 116.23 3mzz h THR 6 Ca -0.45 -0.92 -0.04 0.00 -0.55 0.00 0.00 66.41 64.46 3mzz h THR 6 Cb 1.22 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3mzz h THR 6 CO 0.60 0.30 0.12 0.44 -0.25 0.00 0.00 175.52 176.73 3mzz h ASP 7 N 0.39 0.61 0.16 5.36 5.19 -1.94 0.85 116.42 127.05 3mzz h ASP 7 Ca 0.08 -0.21 -0.11 0.00 -0.62 0.00 0.00 57.03 56.16 3mzz h ASP 7 Cb 0.43 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 3mzz h ASP 7 CO 0.02 0.66 -0.40 -0.33 -3.12 0.00 0.00 179.24 176.07 3mzz h GLU 8 N 0.52 0.31 -0.21 3.56 5.08 -1.87 -1.59 114.58 120.39 3mzz h GLU 8 Ca 0.13 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3mzz h GLU 8 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3mzz h GLU 8 CO -0.00 0.67 -0.65 1.25 -1.00 0.00 0.00 179.01 179.28 3mzz h LEU 9 N 0.26 0.89 -1.14 1.33 5.85 -0.74 -3.02 115.31 118.74 3mzz h LEU 9 Ca 0.02 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3mzz h LEU 9 Cb 0.83 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3mzz h LEU 9 CO 0.07 1.31 0.50 0.11 -0.34 0.00 0.00 178.44 180.08 3mzz h LYS 10 N 0.57 1.08 -0.09 1.25 1.57 -0.61 -1.89 116.57 118.44 3mzz h LYS 10 Ca -0.01 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3mzz h LYS 10 Cb 1.26 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 3mzz h LYS 10 CO 0.13 0.74 0.08 -0.91 -0.57 0.00 0.00 179.45 178.93 3mzz h ASN 11 N 1.10 0.00 1.02 0.86 2.35 -1.17 -1.00 115.58 118.75 3mzz h ASN 11 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3mzz h ASN 11 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3mzz h ASN 11 CO -0.06 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.83 3mzz h LYS 12 N 0.00 0.00 -0.03 0.81 1.57 -1.28 -1.45 116.57 116.19 3mzz h LYS 12 Ca 0.04 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3mzz h LYS 12 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3mzz h LYS 12 CO -0.00 0.00 0.05 -0.07 -0.57 0.00 0.00 179.45 178.85 3mzz h LEU 13 N 0.00 0.00 -0.05 2.94 3.38 -1.25 -0.85 115.31 119.48 3mzz h LEU 13 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mzz h LEU 13 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3mzz h LEU 13 CO 0.00 0.00 -0.05 0.18 0.09 0.00 0.00 178.44 178.66 3mzz n LEU 14 N -3.59 0.13 -4.92 1.67 4.77 -0.55 -4.91 117.00 109.61 3mzz n LEU 14 Ca -0.02 0.24 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 3mzz n LEU 14 Cb 0.13 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3mzz n LEU 14 CO 0.25 0.03 0.41 -1.61 -1.33 0.00 0.00 177.39 175.14 3mzz s GLU 15 N -2.64 3.33 -0.05 3.23 2.02 -0.32 -5.04 118.70 119.22 3mzz s GLU 15 Ca 0.25 0.00 -0.25 0.00 0.02 0.00 0.00 54.97 55.00 3mzz s GLU 15 Cb 0.20 -2.41 -0.23 0.00 0.10 0.00 0.00 34.13 31.79 3mzz s GLU 15 CO 0.49 -0.28 1.06 0.66 0.02 0.00 0.00 175.26 177.20 3mzz h SER 16 N 0.22 0.18 -2.68 -0.19 4.64 -1.91 -3.43 113.55 110.38 3mzz h SER 16 Ca -0.47 -0.73 -0.54 0.00 -0.47 0.00 0.00 61.79 59.58 3mzz h SER 16 Cb 1.22 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 3mzz h SER 16 CO 0.61 0.88 1.01 -1.59 -0.87 0.00 0.00 176.83 176.88 3mzz s LYS 17 N -3.29 4.20 0.43 4.77 -2.85 -1.26 -4.97 119.74 116.77 3mzz s LYS 17 Ca -0.16 2.26 -0.25 0.00 -1.00 0.00 0.00 55.97 56.83 3mzz s LYS 17 Cb 0.01 -3.73 -0.08 0.00 -2.06 0.00 0.00 37.83 31.97 3mzz s LYS 17 CO 0.73 -0.76 1.26 -2.14 0.10 0.00 0.00 175.35 174.54 3mzz s PRO 18 N 3.08 3.85 0.10 1.78 0.02 -1.26 -4.98 135.00 137.58 3mzz s PRO 18 Ca 0.73 2.05 -0.05 0.00 0.02 0.00 0.00 61.00 63.75 3mzz s PRO 18 Cb -0.37 -2.62 -0.05 0.00 0.02 0.00 0.00 34.50 31.47 3mzz s PRO 18 CO 0.31 -0.56 0.34 0.14 -0.33 0.00 0.00 177.00 176.90 3mzz s VAL 19 N -1.34 5.21 -0.38 3.83 -7.23 -1.26 -5.05 120.40 114.18 3mzz s VAL 19 Ca 0.60 0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.67 3mzz s VAL 19 Cb -0.35 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 32.98 3mzz s VAL 19 CO 0.45 0.13 0.26 -1.10 -0.31 0.00 0.00 175.10 174.52 3mzz s GLN 20 N -2.43 3.12 -0.10 4.82 -1.52 -1.26 -5.02 119.66 117.28 3mzz s GLN 20 Ca 0.37 -0.90 0.01 0.00 -1.95 0.00 0.00 55.36 52.89 3mzz s GLN 20 Cb -0.13 -3.87 -0.02 0.00 -0.22 0.00 0.00 33.01 28.77 3mzz s GLN 20 CO 0.23 -0.64 -0.13 0.42 -0.25 0.00 0.00 175.29 174.92 3mzz s ILE 21 N 1.67 3.05 -0.18 1.08 1.01 -1.26 -0.70 121.20 125.88 3mzz s ILE 21 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3mzz s ILE 21 Cb -0.18 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.05 3mzz s ILE 21 CO 0.09 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.70 3mzz s VAL 22 N -0.02 1.99 -0.31 2.92 1.01 -0.29 -0.13 120.40 125.58 3mzz s VAL 22 Ca -0.04 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 3mzz s VAL 22 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3mzz s VAL 22 CO 0.04 0.53 0.22 -0.62 0.00 0.00 0.00 175.10 175.27 3mzz s ASP 23 N 1.32 6.05 -0.09 3.32 3.68 0.09 -1.17 116.67 129.87 3mzz s ASP 23 Ca 0.05 -0.21 0.16 0.00 2.13 0.00 0.00 52.55 54.67 3mzz s ASP 23 Cb -0.13 -2.13 0.53 0.00 -1.45 0.00 0.00 42.92 39.74 3mzz s ASP 23 CO -0.13 -0.15 1.45 1.33 0.13 0.00 0.00 175.17 177.81 3mzz n VAL 24 N 5.09 1.65 -1.05 1.11 0.24 -0.21 -1.60 118.33 123.55 3mzz n VAL 24 Ca -0.13 -1.30 -0.29 0.00 -2.04 0.00 0.00 64.34 60.57 3mzz n VAL 24 Cb 0.51 0.17 0.16 0.00 -1.47 0.00 0.00 33.84 33.21 3mzz n VAL 24 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3mzz s ARG 25 N -1.79 0.75 0.98 7.34 0.52 -1.26 -4.49 118.95 121.00 3mzz s ARG 25 Ca 0.40 0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 56.33 3mzz s ARG 25 Cb 0.26 -1.75 0.18 0.00 0.52 0.00 0.00 34.95 34.16 3mzz s ARG 25 CO 0.18 -2.59 1.09 0.95 0.02 0.00 0.00 175.30 174.94 3mzz s THR 26 N -2.84 2.30 0.28 0.02 -4.23 -1.26 -4.08 115.64 105.83 3mzz s THR 26 Ca 0.65 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 3mzz s THR 26 Cb -0.20 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.20 3mzz s THR 26 CO 0.58 -0.13 1.73 0.44 -0.54 0.00 0.00 174.62 176.70 3mzz h ASP 27 N -1.85 0.54 -0.87 3.99 3.32 -1.98 -1.11 116.42 118.46 3mzz h ASP 27 Ca -0.53 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 56.40 3mzz h ASP 27 Cb 1.31 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3mzz h ASP 27 CO 0.55 0.75 0.55 -0.33 -1.72 0.00 0.00 179.24 179.04 3mzz h GLU 28 N 0.49 1.00 0.01 3.56 5.08 -2.00 -1.04 114.58 121.68 3mzz h GLU 28 Ca 0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3mzz h GLU 28 Cb 0.62 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3mzz h GLU 28 CO 0.04 0.66 -0.00 0.93 -1.00 0.00 0.00 179.01 179.64 3mzz h GLU 29 N 1.03 -0.01 0.00 2.33 5.08 -1.82 -3.29 114.58 117.90 3mzz h GLU 29 Ca 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 3mzz h GLU 29 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3mzz h GLU 29 CO -0.16 0.57 -0.03 1.79 -1.00 0.00 0.00 179.01 180.19 3mzz h THR 30 N -0.59 0.13 0.00 1.13 1.35 -1.12 -3.34 112.91 110.48 3mzz h THR 30 Ca -0.00 -0.33 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 3mzz h THR 30 Cb 0.58 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3mzz h THR 30 CO 0.00 0.03 0.03 0.00 -0.25 0.00 0.00 175.52 175.33 3mzz n ALA 31 N -2.13 2.41 -2.81 6.62 0.00 -0.40 -3.89 120.51 120.32 3mzz n ALA 31 Ca -0.01 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 3mzz n ALA 31 Cb 0.20 -1.74 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 3mzz n ALA 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mzz s GLY 33 N 2.09 2.04 0.23 0.00 0.00 -1.25 -4.90 107.32 105.52 3mzz s GLY 33 Ca 0.03 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.06 3mzz s GLY 33 CO 0.00 -0.38 0.15 -2.52 0.00 0.00 0.00 173.10 170.35 3mzz s TYR 34 N -0.81 1.33 0.06 1.90 -0.85 0.04 -4.87 117.35 114.15 3mzz s TYR 34 Ca 0.13 -1.39 -0.31 0.00 -0.52 0.00 0.00 57.07 54.98 3mzz s TYR 34 Cb -0.12 -0.65 -0.07 0.00 0.38 0.00 0.00 41.96 41.50 3mzz s TYR 34 CO 0.03 -0.62 1.44 0.42 -1.52 0.00 0.00 175.55 175.30 3mzz s ILE 35 N -3.96 3.41 0.25 -3.49 1.01 -1.26 0.52 121.20 117.67 3mzz s ILE 35 Ca 0.39 0.91 -0.31 0.00 0.00 0.00 0.00 60.65 61.64 3mzz s ILE 35 Cb 0.06 -3.58 -0.14 0.00 0.01 0.00 0.00 42.46 38.81 3mzz s ILE 35 CO 0.15 0.03 1.32 -2.65 0.00 0.00 0.00 174.94 173.79 3mzz n PRO 36 N 4.81 1.87 -0.90 2.79 -0.02 -1.26 -1.15 135.00 141.13 3mzz n PRO 36 Ca 0.13 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3mzz n PRO 36 Cb 0.42 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3mzz n PRO 36 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mzz n ASN 37 N 1.87 -1.87 -4.77 2.55 3.02 -1.26 -5.01 115.26 109.79 3mzz n ASN 37 Ca 0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.28 3mzz n ASN 37 Cb 0.31 -1.26 -0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3mzz n ASN 37 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mzz s ALA 38 N -2.30 3.08 0.02 5.41 0.00 -0.30 -4.73 121.76 122.94 3mzz s ALA 38 Ca 0.00 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 52.77 3mzz s ALA 38 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3mzz s ALA 38 CO 0.00 -0.78 0.91 0.15 0.00 0.00 0.00 175.76 176.04 3mzz s LYS 39 N -2.49 4.57 -0.46 0.00 1.02 0.82 -4.90 119.74 118.30 3mzz s LYS 39 Ca 0.61 1.31 -0.12 0.00 0.02 0.00 0.00 55.97 57.78 3mzz s LYS 39 Cb -0.34 -3.43 0.09 0.00 -0.52 0.00 0.00 37.83 33.64 3mzz s LYS 39 CO 0.42 0.07 0.35 -0.51 -0.92 0.00 0.00 175.35 174.76 3mzz s LEU 40 N 0.60 5.53 -0.34 3.17 1.43 -1.26 -0.73 118.68 127.08 3mzz s LEU 40 Ca 0.47 -1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 3mzz s LEU 40 Cb -0.21 -2.09 0.12 0.00 0.03 0.00 0.00 46.19 44.03 3mzz s LEU 40 CO 0.26 -0.64 0.16 -0.63 0.23 0.00 0.00 176.35 175.73 3mzz s ILE 41 N 1.52 0.67 0.00 -0.59 1.01 -0.63 -4.99 121.20 118.20 3mzz s ILE 41 Ca 0.04 -1.59 0.00 0.00 0.00 0.00 0.00 60.65 59.10 3mzz s ILE 41 Cb -0.25 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.72 3mzz s ILE 41 CO 0.04 -0.79 0.00 -2.65 0.00 0.00 0.00 174.94 171.53 3mzz n PRO 42 N 4.49 2.45 0.00 2.79 -0.02 -1.26 -4.10 135.00 139.36 3mzz n PRO 42 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3mzz n PRO 42 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 3mzz n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3mzz n ASP 44 N 0.00 0.00 -0.51 2.55 5.75 -1.26 -2.49 116.55 120.59 3mzz n ASP 44 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.87 3mzz n ASP 44 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 3mzz n ASP 44 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3mzz n THR 45 N 0.00 0.00 -0.27 2.12 -2.24 -1.26 -4.67 114.28 107.96 3mzz n THR 45 Ca 0.00 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 3mzz n THR 45 Cb 0.00 1.27 0.14 0.00 -2.10 0.00 0.00 70.33 69.63 3mzz n THR 45 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3mzz h ILE 46 N 2.50 0.95 0.00 2.28 1.08 -1.78 -1.06 117.51 121.49 3mzz h ILE 46 Ca 0.00 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3mzz h ILE 46 Cb 0.68 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3mzz h ILE 46 CO 0.00 0.14 0.00 -0.65 -0.69 0.00 0.00 178.15 176.95 3mzz h PRO 47 N 0.78 0.00 -0.36 2.37 0.11 -1.91 -1.00 132.00 131.99 3mzz h PRO 47 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3mzz h PRO 47 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3mzz h PRO 47 CO -0.21 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.33 3mzz n ASP 48 N -2.46 2.47 -0.90 -2.05 8.00 -0.41 -4.35 116.55 116.86 3mzz n ASP 48 Ca -0.00 -1.90 0.04 0.00 0.71 0.00 0.00 54.79 53.64 3mzz n ASP 48 Cb 0.15 -0.23 0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3mzz n ASP 48 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mzz n ASN 49 N 0.85 0.93 -0.04 -2.24 3.02 -0.38 -4.81 115.26 112.58 3mzz n ASN 49 Ca 0.17 -2.39 0.14 0.00 -0.03 0.00 0.00 54.58 52.47 3mzz n ASN 49 Cb 0.43 -0.31 0.57 0.00 -0.61 0.00 0.00 39.78 39.85 3mzz n ASN 49 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3mzz h LEU 50 N 0.57 0.23 -2.75 3.41 3.38 -1.75 0.95 115.31 119.35 3mzz h LEU 50 Ca -0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3mzz h LEU 50 Cb 1.51 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 3mzz h LEU 50 CO 0.04 0.14 0.05 0.78 0.09 0.00 0.00 178.44 179.54 3mzz h ASN 51 N 0.26 0.00 0.81 -0.43 2.35 -1.93 -0.80 115.58 115.85 3mzz h ASN 51 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3mzz h ASN 51 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3mzz h ASN 51 CO -0.05 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.53 3mzz n SER 52 N -3.22 0.67 -4.60 5.81 7.64 0.33 -4.76 113.62 115.49 3mzz n SER 52 Ca -0.03 0.65 -0.32 0.00 1.01 0.00 0.00 58.87 60.18 3mzz n SER 52 Cb 0.13 -0.80 -0.10 0.00 -1.01 0.00 0.00 64.21 62.43 3mzz n SER 52 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3mzz s PHE 53 N -3.28 2.89 0.25 1.43 0.40 -0.31 -5.12 117.98 114.25 3mzz s PHE 53 Ca 0.05 -0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 3mzz s PHE 53 Cb 0.10 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 3mzz s PHE 53 CO 0.41 0.37 -0.12 0.54 0.70 0.00 0.00 175.22 177.13 3mzz s ASN 54 N -1.41 2.88 0.00 1.36 2.20 -1.26 -5.01 114.94 113.71 3mzz s ASN 54 Ca 0.17 -1.10 0.27 0.00 -0.94 0.00 0.00 52.86 51.26 3mzz s ASN 54 Cb -0.11 -0.19 1.57 0.00 -2.00 0.00 0.00 41.25 40.52 3mzz s ASN 54 CO 0.07 -0.21 2.01 0.29 -2.94 0.00 0.00 177.10 176.33 3mzz n LYS 55 N -0.52 1.05 0.06 3.55 5.02 -1.26 -3.22 118.16 122.83 3mzz n LYS 55 Ca -0.06 -0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.26 3mzz n LYS 55 Cb 0.62 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 34.13 3mzz n LYS 55 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3mzz n ASN 56 N -0.84 0.50 -4.70 4.39 4.13 -1.26 -4.87 115.26 112.61 3mzz n ASN 56 Ca 0.20 0.19 -0.23 0.00 1.68 0.00 0.00 54.58 56.42 3mzz n ASN 56 Cb 0.11 1.08 -0.07 0.00 -1.54 0.00 0.00 39.78 39.37 3mzz n ASN 56 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3mzz s GLU 57 N -3.43 2.35 -0.15 3.52 2.02 -1.20 -5.12 118.70 116.70 3mzz s GLU 57 Ca -0.04 -1.50 -0.08 0.00 0.02 0.00 0.00 54.97 53.38 3mzz s GLU 57 Cb 0.11 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 3mzz s GLU 57 CO 0.84 0.20 0.12 0.42 0.02 0.00 0.00 175.26 176.86 3mzz s ILE 58 N -2.39 5.32 -0.16 -1.63 1.01 -1.26 -4.24 121.20 117.85 3mzz s ILE 58 Ca 0.35 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 3mzz s ILE 58 Cb -0.04 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 3mzz s ILE 58 CO 0.22 0.54 -0.12 -0.31 0.00 0.00 0.00 174.94 175.26 3mzz s TYR 59 N -0.41 2.83 -0.28 3.97 2.02 0.03 -4.29 117.35 121.21 3mzz s TYR 59 Ca 0.11 -0.88 -0.11 0.00 -0.37 0.00 0.00 57.07 55.82 3mzz s TYR 59 Cb -0.12 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.48 3mzz s TYR 59 CO 0.01 -0.39 0.20 0.71 -1.57 0.00 0.00 175.55 174.52 3mzz s TYR 60 N 0.77 3.22 -0.22 2.71 2.02 0.13 -0.46 117.35 125.51 3mzz s TYR 60 Ca -0.05 0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.72 3mzz s TYR 60 Cb -0.15 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3mzz s TYR 60 CO 0.01 -0.16 0.07 0.42 -1.57 0.00 0.00 175.55 174.32 3mzz s ILE 61 N 1.78 4.59 -0.02 2.71 -1.09 -0.16 -1.13 121.20 127.88 3mzz s ILE 61 Ca 0.08 -0.09 0.05 0.00 -2.23 0.00 0.00 60.65 58.46 3mzz s ILE 61 Cb -0.16 -3.11 -0.01 0.00 -1.58 0.00 0.00 42.46 37.60 3mzz s ILE 61 CO 0.11 0.39 -0.17 0.54 -1.23 0.00 0.00 174.94 174.58 3mzz s VAL 62 N 1.05 1.37 0.00 2.92 0.11 -0.32 -1.13 120.40 124.41 3mzz s VAL 62 Ca 0.04 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3mzz s VAL 62 Cb -0.14 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 3mzz s VAL 62 CO 0.03 0.39 0.00 0.00 -3.33 0.00 0.00 175.10 172.19 3mzz h ALA 64 N 1.00 0.74 0.00 0.00 0.00 -1.94 -3.40 119.26 115.65 3mzz h ALA 64 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3mzz h ALA 64 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mzz h ALA 64 CO 0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 3mzz n GLY 65 N -0.08 -0.67 0.71 0.00 0.00 -1.26 -1.32 105.19 102.57 3mzz n GLY 65 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3mzz n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mzz n GLY 66 N 0.00 0.67 0.07 -0.02 0.00 -1.26 -4.16 105.19 100.50 3mzz n GLY 66 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3mzz n GLY 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mzz n VAL 67 N -2.04 1.43 -0.22 1.61 0.31 -1.26 -3.61 118.33 114.54 3mzz n VAL 67 Ca 0.00 0.19 0.10 0.00 -0.01 0.00 0.00 64.34 64.62 3mzz n VAL 67 Cb 0.00 -2.36 0.38 0.00 -0.91 0.00 0.00 33.84 30.95 3mzz n VAL 67 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3mzz h ARG 68 N -1.00 0.67 -0.57 5.55 3.08 -1.99 -2.23 114.38 117.89 3mzz h ARG 68 Ca -0.03 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 3mzz h ARG 68 Cb 0.61 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3mzz h ARG 68 CO -0.02 0.44 0.08 0.66 -1.07 0.00 0.00 179.97 180.06 3mzz h SER 69 N 0.69 0.88 -0.41 7.04 4.64 -1.91 -1.68 113.55 122.80 3mzz h SER 69 Ca 0.38 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3mzz h SER 69 Cb 0.54 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3mzz h SER 69 CO -0.15 0.89 0.24 0.00 -0.87 0.00 0.00 176.83 176.94 3mzz h ALA 70 N 1.21 1.60 -0.29 5.18 0.00 -1.46 -0.01 119.26 125.49 3mzz h ALA 70 Ca 0.18 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3mzz h ALA 70 Cb 0.40 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mzz h ALA 70 CO 0.01 0.34 -0.31 0.87 0.00 0.00 0.00 179.25 180.16 3mzz h LYS 71 N 0.60 0.72 -0.68 0.00 1.57 -1.30 -2.25 116.57 115.23 3mzz h LYS 71 Ca 0.16 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3mzz h LYS 71 Cb 0.02 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3mzz h LYS 71 CO -0.03 1.00 0.26 0.28 -0.57 0.00 0.00 179.45 180.39 3mzz h VAL 72 N 0.46 1.25 -0.38 0.50 2.07 -0.81 -1.03 116.25 118.31 3mzz h VAL 72 Ca 0.04 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3mzz h VAL 72 Cb 0.88 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 3mzz h VAL 72 CO 0.07 0.31 0.03 0.58 0.02 0.00 0.00 177.57 178.59 3mzz h VAL 73 N 0.98 0.75 -0.63 2.57 2.07 -0.89 0.12 116.25 121.22 3mzz h VAL 73 Ca 0.23 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.73 3mzz h VAL 73 Cb 0.23 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3mzz h VAL 73 CO -0.02 0.03 0.38 -0.33 0.02 0.00 0.00 177.57 177.65 3mzz h GLU 74 N 0.14 0.72 -0.43 1.57 5.08 -1.05 0.01 114.58 120.62 3mzz h GLU 74 Ca 0.18 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3mzz h GLU 74 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3mzz h GLU 74 CO -0.28 0.48 0.24 -0.92 -1.00 0.00 0.00 179.01 177.53 3mzz h TYR 75 N 0.75 0.58 -0.33 4.33 3.20 -0.68 -1.40 116.97 123.41 3mzz h TYR 75 Ca 0.26 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 3mzz h TYR 75 Cb 0.04 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3mzz h TYR 75 CO -0.05 0.43 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.63 3mzz h LEU 76 N 0.56 0.75 -0.63 2.82 3.38 -0.51 -2.65 115.31 119.02 3mzz h LEU 76 Ca 0.15 -0.42 0.13 0.00 0.09 0.00 0.00 57.88 57.83 3mzz h LEU 76 Cb 0.04 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 40.48 3mzz h LEU 76 CO -0.03 1.01 0.09 -0.33 0.09 0.00 0.00 178.44 179.27 3mzz h GLU 77 N 0.49 0.19 0.00 1.13 5.08 -0.83 -0.27 114.58 120.38 3mzz h GLU 77 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3mzz h GLU 77 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3mzz h GLU 77 CO 0.06 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 3mzz n ALA 78 N -2.69 1.49 -0.38 3.43 0.00 -0.54 -1.42 120.51 120.38 3mzz n ALA 78 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.66 3mzz n ALA 78 Cb 0.37 -1.28 0.20 0.00 0.00 0.00 0.00 19.45 18.74 3mzz n ALA 78 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mzz n ASN 79 N -1.93 3.35 -0.37 0.00 3.02 -0.58 -4.98 115.26 113.77 3mzz n ASN 79 Ca 0.02 -2.23 -0.04 0.00 -0.03 0.00 0.00 54.58 52.30 3mzz n ASN 79 Cb 0.15 -0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 3mzz n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mzz n GLY 80 N 0.47 0.42 3.42 7.41 0.00 -0.51 -5.03 105.19 111.37 3mzz n GLY 80 Ca 0.16 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 3mzz n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mzz s ILE 81 N -2.17 3.31 -0.39 -0.61 1.01 -0.22 -4.76 121.20 117.37 3mzz s ILE 81 Ca 0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 3mzz s ILE 81 Cb 0.00 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 40.09 3mzz s ILE 81 CO 0.00 0.53 1.00 -0.62 0.00 0.00 0.00 174.94 175.85 3mzz s ASP 82 N 0.20 6.70 0.04 3.58 2.15 -1.26 -3.19 116.67 124.89 3mzz s ASP 82 Ca -0.06 0.61 0.03 0.00 0.43 0.00 0.00 52.55 53.56 3mzz s ASP 82 Cb -0.15 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 39.95 3mzz s ASP 82 CO 0.04 -0.96 -0.09 0.00 -0.17 0.00 0.00 175.17 173.99 3mzz s ALA 83 N 3.74 0.74 -0.04 3.66 0.00 -1.26 -0.79 121.76 127.81 3mzz s ALA 83 Ca 0.41 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.65 3mzz s ALA 83 Cb -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3mzz s ALA 83 CO 0.21 0.06 -0.09 0.08 0.00 0.00 0.00 175.76 176.02 3mzz s VAL 84 N -1.14 0.85 0.08 0.00 1.01 0.39 -4.64 120.40 116.94 3mzz s VAL 84 Ca -0.06 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3mzz s VAL 84 Cb -0.09 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 3mzz s VAL 84 CO 0.01 0.27 1.01 0.21 0.00 0.00 0.00 175.10 176.60 3mzz s ASN 85 N 0.39 7.39 -0.59 3.32 2.47 -0.08 -0.99 114.94 126.85 3mzz s ASN 85 Ca -0.07 1.80 -0.25 0.00 0.42 0.00 0.00 52.86 54.77 3mzz s ASN 85 Cb -0.11 -2.58 0.04 0.00 -1.45 0.00 0.00 41.25 37.15 3mzz s ASN 85 CO 0.01 -0.19 1.02 -0.69 -3.72 0.00 0.00 177.10 173.53 3mzz s VAL 86 N 0.43 4.26 0.19 -5.21 1.01 -0.28 -0.89 120.40 119.91 3mzz s VAL 86 Ca 0.50 0.29 -0.32 0.00 0.00 0.00 0.00 61.98 62.46 3mzz s VAL 86 Cb -0.24 -4.63 -0.12 0.00 0.00 0.00 0.00 36.38 31.40 3mzz s VAL 86 CO 0.30 -1.27 1.75 -0.62 0.00 0.00 0.00 175.10 175.26 3mzz n GLU 87 N 7.83 2.80 -0.19 2.72 1.02 0.06 -1.69 120.64 133.18 3mzz n GLU 87 Ca 0.02 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.17 3mzz n GLU 87 Cb 0.48 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 3mzz n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mzz n GLY 88 N 4.03 1.87 5.58 0.62 0.00 -1.26 -4.18 105.19 111.86 3mzz n GLY 88 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3mzz n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mzz n GLY 89 N -2.00 0.02 4.35 -0.02 0.00 -0.68 -1.55 105.19 105.31 3mzz n GLY 89 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3mzz n GLY 89 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3mzz n HIS 91 N 0.00 0.00 -0.08 1.61 -0.00 -0.44 -1.48 115.22 114.84 3mzz n HIS 91 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 3mzz n HIS 91 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 3mzz n HIS 91 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3mzz h ALA 92 N 0.00 0.38 -0.75 1.57 0.00 -1.56 -3.26 119.26 115.64 3mzz h ALA 92 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.51 3mzz h ALA 92 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3mzz h ALA 92 CO 0.00 0.46 0.50 2.35 0.00 0.00 0.00 179.25 182.56 3mzz h TRP 93 N 0.42 0.88 0.00 0.00 2.91 -1.52 -3.49 115.95 115.14 3mzz h TRP 93 Ca 0.03 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3mzz h TRP 93 Cb 0.96 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.31 3mzz h TRP 93 CO 0.08 0.51 0.00 0.41 -1.03 0.00 0.00 178.44 178.40 3mzz n GLY 94 N -1.43 -0.13 1.07 2.65 0.00 -1.23 -4.74 105.19 101.38 3mzz n GLY 94 Ca 0.10 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.29 3mzz n GLY 94 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mzz n ASP 95 N -0.40 4.14 -4.89 1.61 5.68 -1.26 -4.89 116.55 116.54 3mzz n ASP 95 Ca 0.00 -2.85 -0.34 0.00 -0.50 0.00 0.00 54.79 51.10 3mzz n ASP 95 Cb 0.00 -0.53 -0.05 0.00 -1.14 0.00 0.00 41.12 39.39 3mzz n ASP 95 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3mzz s GLU 96 N -2.54 3.51 -0.60 0.11 0.41 -1.26 -4.47 118.70 113.86 3mzz s GLU 96 Ca 0.43 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 3mzz s GLU 96 Cb 0.33 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 3mzz s GLU 96 CO 0.12 0.67 0.00 0.41 -0.49 0.00 0.00 175.26 175.96 3mzz n GLY 97 N 1.10 0.82 3.91 -1.39 0.00 -1.26 -5.01 105.19 103.36 3mzz n GLY 97 Ca -0.12 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 3mzz n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mzz s LEU 98 N -1.29 3.89 -0.04 0.99 1.43 -1.26 -4.57 118.68 117.84 3mzz s LEU 98 Ca 0.00 0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3mzz s LEU 98 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3mzz s LEU 98 CO 0.00 -0.36 0.09 -0.70 0.23 0.00 0.00 176.35 175.61 3mzz s GLU 99 N -4.16 3.15 0.05 1.70 2.12 0.18 -4.83 118.70 116.92 3mzz s GLU 99 Ca 0.45 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 55.44 3mzz s GLU 99 Cb -0.10 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 3mzz s GLU 99 CO 0.36 0.68 -0.17 0.96 -0.54 0.00 0.00 175.26 176.55 3mzz s ILE 100 N -1.13 1.40 -0.02 -3.70 -4.36 -1.26 -0.78 121.20 111.35 3mzz s ILE 100 Ca 0.20 -1.15 -0.18 0.00 -0.26 0.00 0.00 60.65 59.26 3mzz s ILE 100 Cb -0.12 -1.24 -0.05 0.00 1.25 0.00 0.00 42.46 42.29 3mzz s ILE 100 CO 0.11 0.07 0.52 -0.75 0.24 0.00 0.00 174.94 175.13 3mzz s LYS 101 N -1.26 4.21 0.10 0.37 2.47 -1.26 -4.96 119.74 119.42 3mzz s LYS 101 Ca 0.04 0.59 0.24 0.00 -1.56 0.00 0.00 55.97 55.28 3mzz s LYS 101 Cb -0.09 -3.32 0.32 0.00 -1.46 0.00 0.00 37.83 33.29 3mzz s LYS 101 CO 0.02 0.43 1.29 0.45 0.16 0.00 0.00 175.35 177.71 3mzz n SER 102 N 2.59 0.68 0.00 1.43 2.88 -1.26 -5.19 113.62 114.74 3mzz n SER 102 Ca -0.09 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3mzz n SER 102 Cb 0.51 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 3mzz n SER 102 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43