#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdz n HIS 5 N 0.00 0.00 -3.81 1.12 -0.00 -1.26 -5.04 115.22 106.23 3mdz n HIS 5 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 3mdz n HIS 5 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3mdz n HIS 5 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3mdz s GLY 6 N -2.51 -0.13 0.19 -1.41 0.00 -1.26 -5.17 107.32 97.02 3mdz s GLY 6 Ca 0.06 0.07 0.10 0.00 0.00 0.00 0.00 44.72 44.95 3mdz s GLY 6 CO 0.65 1.76 -0.21 0.66 0.00 0.00 0.00 173.10 175.96 3mdz s TRP 7 N -2.49 2.07 0.00 1.90 1.48 -1.26 -4.88 118.94 115.75 3mdz s TRP 7 Ca 0.19 -0.41 0.00 0.00 -1.06 0.00 0.00 56.10 54.82 3mdz s TRP 7 Cb -0.00 -1.01 0.00 0.00 -1.16 0.00 0.00 33.47 31.29 3mdz s TRP 7 CO 0.02 0.44 0.00 0.41 -4.06 0.00 0.00 176.95 173.75 3mdz n GLY 8 N 0.20 1.80 0.10 3.67 0.00 -0.18 -5.02 105.19 105.77 3mdz n GLY 8 Ca -0.12 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.71 3mdz n GLY 8 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mdz n TYR 9 N 0.00 0.00 -2.01 1.61 4.01 -1.26 -3.80 117.16 115.72 3mdz n TYR 9 Ca 0.00 -0.52 -0.24 0.00 -0.16 0.00 0.00 57.90 56.98 3mdz n TYR 9 Cb 0.00 -0.08 0.15 0.00 -0.31 0.00 0.00 39.34 39.11 3mdz n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mdz n GLY 10 N -0.68 -0.85 0.39 2.72 0.00 -1.26 -4.75 105.19 100.76 3mdz n GLY 10 Ca 0.06 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 3mdz n GLY 10 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3mdz h GLN 11 N 0.00 -0.59 0.00 1.61 1.08 -1.98 -2.04 115.11 113.20 3mdz h GLN 11 Ca -0.34 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.90 3mdz h GLN 11 Cb 1.02 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3mdz h GLN 11 CO 0.27 -0.39 -0.57 -0.44 -0.95 0.00 0.00 178.83 176.75 3mdz h ASP 12 N -0.61 0.00 -0.08 1.46 3.32 -2.00 -3.35 116.42 115.16 3mdz h ASP 12 Ca 0.03 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3mdz h ASP 12 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3mdz h ASP 12 CO -0.23 0.07 0.00 -0.90 -1.72 0.00 0.00 179.24 176.47 3mdz n ASP 13 N -2.26 2.25 -4.09 6.45 5.75 -1.23 -4.89 116.55 118.53 3mdz n ASP 13 Ca 0.03 -2.09 -0.27 0.00 -0.01 0.00 0.00 54.79 52.45 3mdz n ASP 13 Cb 0.46 -0.09 0.17 0.00 -1.03 0.00 0.00 41.12 40.63 3mdz n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mdz n GLY 14 N -0.35 -0.73 0.42 6.12 0.00 -0.77 -1.01 105.19 108.88 3mdz n GLY 14 Ca 0.04 -1.82 0.25 0.00 0.00 0.00 0.00 46.02 44.48 3mdz n GLY 14 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mdz h PRO 15 N 0.00 0.32 0.00 1.61 0.11 -1.84 0.30 132.00 132.49 3mdz h PRO 15 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3mdz h PRO 15 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mdz h PRO 15 CO 0.32 0.21 0.00 0.77 -0.21 0.00 0.00 178.00 179.09 3mdz h SER 16 N 0.33 0.00 -0.01 -2.05 0.02 -1.93 -2.98 113.55 106.94 3mdz h SER 16 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 3mdz h SER 16 Cb 1.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.17 3mdz h SER 16 CO -0.27 0.00 -0.19 1.41 -1.14 0.00 0.00 176.83 176.65 3mdz n HIS 17 N -2.32 0.00 -0.13 3.45 8.25 0.10 -4.65 115.22 119.92 3mdz n HIS 17 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 3mdz n HIS 17 Cb 0.17 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.72 3mdz n HIS 17 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3mdz h TRP 18 N 1.01 0.57 0.00 4.41 6.55 -1.34 -1.31 115.95 125.85 3mdz h TRP 18 Ca 0.00 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.86 3mdz h TRP 18 Cb 0.31 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 3mdz h TRP 18 CO 0.00 0.28 0.14 1.12 -1.05 0.00 0.00 178.44 178.93 3mdz h HIS 19 N 0.54 0.00 -0.20 0.49 2.07 -1.80 0.36 115.15 116.61 3mdz h HIS 19 Ca 0.30 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.75 3mdz h HIS 19 Cb 0.47 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.44 3mdz h HIS 19 CO -0.00 0.00 -0.21 0.87 -3.07 0.00 0.00 177.93 175.52 3mdz h LYS 20 N 0.00 0.36 0.00 5.12 1.57 -1.59 -3.21 116.57 118.82 3mdz h LYS 20 Ca 0.00 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.54 3mdz h LYS 20 Cb 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3mdz h LYS 20 CO 0.00 0.56 -1.83 1.28 -0.57 0.00 0.00 179.45 178.89 3mdz n LEU 21 N -4.17 0.00 -3.71 2.94 4.77 -0.56 -4.83 117.00 111.43 3mdz n LEU 21 Ca -0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 3mdz n LEU 21 Cb 0.36 0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 3mdz n LEU 21 CO 0.40 0.16 -0.15 -0.31 -1.33 0.00 0.00 177.39 176.16 3mdz s TYR 22 N -2.74 2.59 0.60 -1.77 2.02 0.01 -4.98 117.35 113.08 3mdz s TYR 22 Ca -0.06 -2.92 0.31 0.00 -0.37 0.00 0.00 57.07 54.03 3mdz s TYR 22 Cb 0.07 -2.03 1.83 0.00 -0.40 0.00 0.00 41.96 41.43 3mdz s TYR 22 CO 0.62 -0.66 2.21 -1.00 -1.57 0.00 0.00 175.55 175.14 3mdz h PRO 23 N 5.61 0.00 0.00 -1.71 0.13 -1.82 0.70 132.00 134.92 3mdz h PRO 23 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3mdz h PRO 23 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3mdz h PRO 23 CO 0.58 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 179.32 3mdz h ILE 24 N 0.00 0.00 -1.29 -3.56 2.10 -1.91 -2.47 117.51 110.39 3mdz h ILE 24 Ca 0.03 -0.07 0.37 0.00 1.08 0.00 0.00 64.86 66.27 3mdz h ILE 24 Cb 0.19 0.75 -0.07 0.00 -1.09 0.00 0.00 36.82 36.61 3mdz h ILE 24 CO -0.00 0.00 0.91 0.00 -1.08 0.00 0.00 178.15 177.98 3mdz h ALA 25 N 2.04 3.06 -0.78 0.18 0.00 -1.18 0.52 119.26 123.09 3mdz h ALA 25 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 3mdz h ALA 25 Cb 0.09 0.10 -0.20 0.00 0.00 0.00 0.00 17.79 17.78 3mdz h ALA 25 CO 0.00 -1.46 0.38 1.04 0.00 0.00 0.00 179.25 179.21 3mdz n GLN 26 N -4.26 2.80 -0.36 0.00 6.02 -0.93 -4.98 117.38 115.68 3mdz n GLN 26 Ca 0.29 -3.06 -0.03 0.00 -0.01 0.00 0.00 57.00 54.19 3mdz n GLN 26 Cb 1.31 -2.13 0.02 0.00 1.02 0.00 0.00 30.24 30.46 3mdz n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mdz n GLY 27 N -0.74 -0.74 0.36 1.08 0.00 0.18 -5.03 105.19 100.30 3mdz n GLY 27 Ca 0.48 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.85 3mdz n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mdz n ASP 28 N -3.07 1.67 -2.49 1.61 8.00 -1.26 -4.46 116.55 116.54 3mdz n ASP 28 Ca 0.02 -1.34 -0.22 0.00 0.71 0.00 0.00 54.79 53.96 3mdz n ASP 28 Cb 0.07 0.57 0.01 0.00 -0.02 0.00 0.00 41.12 41.75 3mdz n ASP 28 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mdz n ARG 29 N -0.32 2.91 -3.61 -1.24 1.74 -1.26 -4.69 116.66 110.19 3mdz n ARG 29 Ca 0.07 -4.19 -0.35 0.00 -0.77 0.00 0.00 57.85 52.61 3mdz n ARG 29 Cb 0.39 -2.02 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 3mdz n ARG 29 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3mdz s GLN 30 N -3.46 3.74 0.23 5.56 -1.52 -1.26 -2.35 119.66 120.60 3mdz s GLN 30 Ca 0.43 0.16 0.11 0.00 -1.95 0.00 0.00 55.36 54.11 3mdz s GLN 30 Cb 0.41 -3.06 -0.05 0.00 -0.22 0.00 0.00 33.01 30.09 3mdz s GLN 30 CO -0.12 0.61 -0.19 -1.12 -0.25 0.00 0.00 175.29 174.22 3mdz s SER 31 N -1.59 3.68 0.91 5.90 0.01 -1.26 -4.68 113.70 116.68 3mdz s SER 31 Ca 0.29 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 3mdz s SER 31 Cb -0.14 -0.37 0.20 0.00 0.21 0.00 0.00 66.02 65.91 3mdz s SER 31 CO 0.16 0.08 1.21 -0.81 0.41 0.00 0.00 173.24 174.29 3mdz n PRO 32 N -0.22 -0.89 -4.30 12.44 -0.04 -1.26 -4.54 135.00 136.20 3mdz n PRO 32 Ca -0.09 -2.27 -0.16 0.00 -0.04 0.00 0.00 63.50 60.95 3mdz n PRO 32 Cb 0.58 -1.12 -0.10 0.00 -0.04 0.00 0.00 33.50 32.81 3mdz n PRO 32 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3mdz s ILE 33 N -3.61 0.64 -0.23 0.52 -4.36 -1.26 0.21 121.20 113.11 3mdz s ILE 33 Ca 0.72 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.89 3mdz s ILE 33 Cb -0.03 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 3mdz s ILE 33 CO 0.50 -0.17 0.70 0.21 0.24 0.00 0.00 174.94 176.42 3mdz s ASN 34 N -3.27 6.71 -0.53 4.36 2.47 -1.26 -2.71 114.94 120.71 3mdz s ASN 34 Ca 0.33 0.87 -0.23 0.00 0.42 0.00 0.00 52.86 54.24 3mdz s ASN 34 Cb 0.07 -2.38 0.04 0.00 -1.45 0.00 0.00 41.25 37.53 3mdz s ASN 34 CO 0.10 -0.40 0.87 -0.63 -3.72 0.00 0.00 177.10 173.33 3mdz s ILE 35 N 2.45 4.50 -0.69 -5.21 1.01 0.83 -4.90 121.20 119.19 3mdz s ILE 35 Ca 0.30 0.19 -0.27 0.00 0.00 0.00 0.00 60.65 60.87 3mdz s ILE 35 Cb -0.16 -4.47 0.03 0.00 0.01 0.00 0.00 42.46 37.88 3mdz s ILE 35 CO 0.09 -1.01 1.23 -0.63 0.00 0.00 0.00 174.94 174.62 3mdz s ILE 36 N 3.65 3.85 0.42 2.92 -1.09 -1.26 -0.58 121.20 129.11 3mdz s ILE 36 Ca 0.28 0.49 0.20 0.00 -2.23 0.00 0.00 60.65 59.40 3mdz s ILE 36 Cb -0.13 -4.85 0.41 0.00 -1.58 0.00 0.00 42.46 36.31 3mdz s ILE 36 CO 0.19 -1.68 1.79 0.77 -1.23 0.00 0.00 174.94 174.77 3mdz h SER 37 N 9.86 0.39 0.05 3.58 4.64 -1.94 -0.65 113.55 129.47 3mdz h SER 37 Ca -0.27 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3mdz h SER 37 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3mdz h SER 37 CO 1.24 0.09 -0.08 -1.54 -0.87 0.00 0.00 176.83 175.67 3mdz n SER 38 N -4.56 1.54 -0.33 4.97 3.41 -1.26 -3.61 113.62 113.78 3mdz n SER 38 Ca 0.24 -1.40 0.04 0.00 -0.26 0.00 0.00 58.87 57.50 3mdz n SER 38 Cb 0.89 0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.93 3mdz n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mdz n GLN 39 N 0.08 0.52 -2.05 4.33 6.02 -0.27 -4.97 117.38 121.02 3mdz n GLN 39 Ca 0.16 -1.11 -0.41 0.00 -0.01 0.00 0.00 57.00 55.64 3mdz n GLN 39 Cb 0.38 -1.15 -0.02 0.00 1.02 0.00 0.00 30.24 30.47 3mdz n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mdz s ALA 40 N -0.70 3.52 -0.25 -1.58 0.00 -1.07 -4.78 121.76 116.89 3mdz s ALA 40 Ca 0.10 1.32 -0.18 0.00 0.00 0.00 0.00 51.96 53.20 3mdz s ALA 40 Cb 0.07 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3mdz s ALA 40 CO 0.10 -0.72 0.51 0.08 0.00 0.00 0.00 175.76 175.73 3mdz s VAL 41 N -1.02 5.08 0.41 0.00 1.01 0.49 -4.82 120.40 121.54 3mdz s VAL 41 Ca 0.51 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 63.10 3mdz s VAL 41 Cb -0.41 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 3mdz s VAL 41 CO 0.54 0.10 1.35 0.00 0.00 0.00 0.00 175.10 177.09 3mdz n TYR 42 N 5.43 2.45 -3.49 5.22 9.36 -1.26 -0.81 117.16 134.06 3mdz n TYR 42 Ca -0.04 0.48 -0.28 0.00 3.32 0.00 0.00 57.90 61.38 3mdz n TYR 42 Cb 0.50 -2.43 -0.11 0.00 -0.63 0.00 0.00 39.34 36.67 3mdz n TYR 42 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3mdz s SER 43 N -0.41 2.48 0.49 2.98 0.01 -0.55 -4.84 113.70 113.87 3mdz s SER 43 Ca 0.59 -2.71 0.31 0.00 1.31 0.00 0.00 55.95 55.45 3mdz s SER 43 Cb -0.50 -0.55 1.18 0.00 0.21 0.00 0.00 66.02 66.36 3mdz s SER 43 CO 0.60 -0.23 1.90 1.55 0.41 0.00 0.00 173.24 177.46 3mdz h PRO 44 N 6.30 0.00 0.00 12.44 0.13 -1.93 -2.55 132.00 146.39 3mdz h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3mdz h PRO 44 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3mdz h PRO 44 CO 0.36 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.79 3mdz h SER 45 N 0.00 0.00 -3.72 1.44 4.64 -1.98 -3.44 113.55 110.49 3mdz h SER 45 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3mdz h SER 45 Cb 0.56 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.73 3mdz h SER 45 CO 0.00 0.00 0.76 -0.76 -0.87 0.00 0.00 176.83 175.96 3mdz s LEU 46 N -5.83 4.36 0.78 5.97 1.43 -0.96 -5.02 118.68 119.41 3mdz s LEU 46 Ca -0.03 2.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.84 3mdz s LEU 46 Cb 0.11 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.74 3mdz s LEU 46 CO 0.41 -0.77 1.08 -1.58 0.23 0.00 0.00 176.35 175.72 3mdz s GLN 47 N -1.44 2.19 0.28 1.70 0.74 -1.14 -4.93 119.66 117.07 3mdz s GLN 47 Ca 0.55 0.87 -0.29 0.00 0.05 0.00 0.00 55.36 56.54 3mdz s GLN 47 Cb -0.44 -1.91 -0.10 0.00 1.10 0.00 0.00 33.01 31.66 3mdz s GLN 47 CO 0.54 -1.60 1.10 -1.25 -0.55 0.00 0.00 175.29 173.53 3mdz s PRO 48 N -5.03 4.62 -0.31 1.67 0.04 -1.26 -2.33 135.00 132.40 3mdz s PRO 48 Ca 0.61 1.79 -0.27 0.00 0.04 0.00 0.00 61.00 63.17 3mdz s PRO 48 Cb -0.16 -3.16 0.01 0.00 0.04 0.00 0.00 34.50 31.23 3mdz s PRO 48 CO 0.55 0.20 0.96 -1.17 0.04 0.00 0.00 177.00 177.58 3mdz s LEU 49 N -1.49 4.00 -0.39 -3.56 2.96 -1.26 -3.36 118.68 115.58 3mdz s LEU 49 Ca 0.45 0.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 3mdz s LEU 49 Cb -0.32 -3.35 0.11 0.00 0.50 0.00 0.00 46.19 43.13 3mdz s LEU 49 CO 0.40 -0.77 0.14 -0.70 -1.32 0.00 0.00 176.35 174.10 3mdz s GLU 50 N 3.36 1.73 -0.85 1.98 2.12 -0.75 -4.94 118.70 121.36 3mdz s GLU 50 Ca 0.40 -1.97 -0.25 0.00 0.36 0.00 0.00 54.97 53.51 3mdz s GLU 50 Cb -0.13 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 30.94 3mdz s GLU 50 CO 0.14 -1.01 1.33 -0.51 -0.54 0.00 0.00 175.26 174.67 3mdz s LEU 51 N 0.81 3.36 -1.02 2.70 1.43 -1.26 -2.13 118.68 122.57 3mdz s LEU 51 Ca 0.11 -0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 52.20 3mdz s LEU 51 Cb -0.21 -2.56 0.21 0.00 0.03 0.00 0.00 46.19 43.67 3mdz s LEU 51 CO -0.06 -1.69 1.08 -0.55 0.23 0.00 0.00 176.35 175.36 3mdz s SER 52 N 4.20 6.99 -0.22 2.29 0.15 -0.30 -4.87 113.70 121.94 3mdz s SER 52 Ca 0.39 -2.93 0.14 0.00 0.70 0.00 0.00 55.95 54.25 3mdz s SER 52 Cb -0.05 -2.28 0.54 0.00 -1.71 0.00 0.00 66.02 62.52 3mdz s SER 52 CO 0.05 -0.60 1.47 -1.22 1.20 0.00 0.00 173.24 174.13 3mdz n TYR 53 N 4.37 1.12 -0.20 3.44 4.01 -1.26 -2.40 117.16 126.24 3mdz n TYR 53 Ca 0.24 -1.07 0.02 0.00 -0.16 0.00 0.00 57.90 56.93 3mdz n TYR 53 Cb 0.44 -0.39 0.28 0.00 -0.31 0.00 0.00 39.34 39.36 3mdz n TYR 53 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3mdz h GLU 54 N 1.69 0.91 -0.32 -0.72 3.07 -1.89 -2.57 114.58 114.74 3mdz h GLU 54 Ca 0.08 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3mdz h GLU 54 Cb 1.58 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.29 3mdz h GLU 54 CO 0.31 0.60 0.00 0.00 -1.40 0.00 0.00 179.01 178.52 3mdz n ALA 55 N -2.43 2.87 -1.61 3.43 0.00 -1.26 -4.99 120.51 116.51 3mdz n ALA 55 Ca 0.09 -1.97 -0.59 0.00 0.00 0.00 0.00 53.44 50.96 3mdz n ALA 55 Cb 0.08 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 3mdz n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mdz s MET 57 N 4.23 1.99 0.56 0.00 -2.45 -1.26 -4.68 119.30 117.69 3mdz s MET 57 Ca 1.05 -1.80 -0.17 0.00 -1.25 0.00 0.00 55.69 53.52 3mdz s MET 57 Cb -1.20 -3.55 -0.05 0.00 1.25 0.00 0.00 34.83 31.29 3mdz s MET 57 CO 0.67 -1.05 1.05 -1.54 1.05 0.00 0.00 175.02 175.21 3mdz s SER 58 N 1.75 5.93 0.00 1.11 1.04 -1.26 -2.34 113.70 119.93 3mdz s SER 58 Ca 0.08 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.36 3mdz s SER 58 Cb -0.22 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3mdz s SER 58 CO -0.04 -1.07 0.00 0.18 0.98 0.00 0.00 173.24 173.29 3mdz n LEU 59 N -1.75 0.00 -3.55 2.42 4.77 -0.14 -4.12 117.00 114.63 3mdz n LEU 59 Ca 0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 3mdz n LEU 59 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3mdz n LEU 59 CO 0.45 0.00 0.84 -0.94 -1.33 0.00 0.00 177.39 176.41 3mdz s SER 60 N -1.97 -0.26 0.02 -1.43 1.04 -1.25 -3.24 113.70 106.62 3mdz s SER 60 Ca 0.00 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.50 3mdz s SER 60 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3mdz s SER 60 CO 0.00 -0.43 -0.13 -0.51 0.98 0.00 0.00 173.24 173.16 3mdz s ILE 61 N -2.65 0.98 -0.20 -1.02 2.07 0.30 -2.06 121.20 118.62 3mdz s ILE 61 Ca 0.06 -0.83 -0.13 0.00 -1.41 0.00 0.00 60.65 58.34 3mdz s ILE 61 Cb -0.01 -0.88 0.06 0.00 0.13 0.00 0.00 42.46 41.76 3mdz s ILE 61 CO -0.06 0.05 0.50 -0.89 -1.91 0.00 0.00 174.94 172.63 3mdz s THR 62 N -0.70 -0.01 -0.25 4.00 2.01 -0.28 -0.43 115.64 119.98 3mdz s THR 62 Ca 0.02 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.92 3mdz s THR 62 Cb -0.07 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3mdz s THR 62 CO 0.01 0.02 0.33 0.21 -0.69 0.00 0.00 174.62 174.50 3mdz s ASN 63 N 1.15 6.25 -0.05 3.53 3.84 -0.78 -1.14 114.94 127.75 3mdz s ASN 63 Ca -0.07 0.28 0.12 0.00 0.21 0.00 0.00 52.86 53.41 3mdz s ASN 63 Cb -0.06 -2.19 0.36 0.00 -0.55 0.00 0.00 41.25 38.81 3mdz s ASN 63 CO -0.11 -0.12 1.30 -0.46 -2.79 0.00 0.00 177.10 174.92 3mdz n ASN 64 N 5.01 3.18 0.00 -4.21 0.23 -1.09 -1.20 115.26 117.18 3mdz n ASN 64 Ca -0.10 -2.28 0.00 0.00 -0.53 0.00 0.00 54.58 51.67 3mdz n ASN 64 Cb 0.51 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 3mdz n ASN 64 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mdz n GLY 65 N 0.22 1.92 0.00 4.83 0.00 -1.26 -4.75 105.19 106.15 3mdz n GLY 65 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mdz n GLY 65 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3mdz n HIS 66 N -2.00 0.00 -3.83 1.61 1.44 -1.26 -4.68 115.22 106.49 3mdz n HIS 66 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 3mdz n HIS 66 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3mdz n HIS 66 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3mdz s SER 67 N -1.55 -0.12 -0.03 4.39 0.15 -1.26 -4.87 113.70 110.41 3mdz s SER 67 Ca 0.00 -0.90 -0.03 0.00 0.70 0.00 0.00 55.95 55.72 3mdz s SER 67 Cb 0.00 0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 65.06 3mdz s SER 67 CO 0.00 -1.53 0.16 0.54 1.20 0.00 0.00 173.24 173.61 3mdz s VAL 68 N -3.07 5.36 -0.14 4.45 0.11 -1.26 -2.67 120.40 123.19 3mdz s VAL 68 Ca 0.13 -0.12 -0.10 0.00 -2.93 0.00 0.00 61.98 58.96 3mdz s VAL 68 Cb -0.06 -3.47 0.04 0.00 -1.53 0.00 0.00 36.38 31.37 3mdz s VAL 68 CO 0.09 0.38 0.35 -1.58 -3.33 0.00 0.00 175.10 171.02 3mdz s GLN 69 N -1.75 0.37 -0.09 1.54 0.74 -0.29 -3.24 119.66 116.95 3mdz s GLN 69 Ca 0.25 0.57 0.03 0.00 0.05 0.00 0.00 55.36 56.25 3mdz s GLN 69 Cb -0.12 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.07 3mdz s GLN 69 CO 0.15 -0.09 -0.19 0.08 -0.55 0.00 0.00 175.29 174.69 3mdz s VAL 70 N 0.65 2.59 0.15 1.34 1.01 -0.53 -1.12 120.40 124.49 3mdz s VAL 70 Ca -0.04 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.13 3mdz s VAL 70 Cb -0.05 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3mdz s VAL 70 CO -0.04 0.55 0.20 -1.81 0.00 0.00 0.00 175.10 174.00 3mdz s ASP 71 N 0.04 5.90 0.02 3.32 1.01 -0.87 -1.24 116.67 124.86 3mdz s ASP 71 Ca -0.07 0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.26 3mdz s ASP 71 Cb -0.15 -1.66 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 3mdz s ASP 71 CO 0.05 0.07 -0.18 -0.36 0.21 0.00 0.00 175.17 174.96 3mdz s PHE 72 N -1.73 1.54 0.34 4.23 0.08 -0.27 -0.96 117.98 121.20 3mdz s PHE 72 Ca 0.33 -0.34 -0.29 0.00 0.12 0.00 0.00 56.93 56.75 3mdz s PHE 72 Cb -0.11 -0.94 -0.12 0.00 -0.57 0.00 0.00 43.02 41.28 3mdz s PHE 72 CO 0.26 0.04 1.37 -1.71 -0.10 0.00 0.00 175.22 175.08 3mdz n ASN 73 N 2.14 3.10 -2.70 1.36 2.85 -0.99 -4.82 115.26 116.20 3mdz n ASN 73 Ca -0.17 1.20 -0.07 0.00 -0.11 0.00 0.00 54.58 55.44 3mdz n ASN 73 Cb 0.54 -1.52 0.06 0.00 1.24 0.00 0.00 39.78 40.10 3mdz n ASN 73 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3mdz n ASP 74 N 0.96 0.60 0.05 1.20 3.85 -1.26 -4.77 116.55 117.17 3mdz n ASP 74 Ca 0.05 -2.51 -0.12 0.00 -0.71 0.00 0.00 54.79 51.50 3mdz n ASP 74 Cb 0.36 -0.13 -0.13 0.00 -1.35 0.00 0.00 41.12 39.87 3mdz n ASP 74 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3mdz h SER 75 N 2.61 0.18 -1.53 -1.12 0.02 -1.96 -3.47 113.55 108.28 3mdz h SER 75 Ca -0.16 -0.24 -0.55 0.00 -0.84 0.00 0.00 61.79 59.99 3mdz h SER 75 Cb 1.23 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.64 3mdz h SER 75 CO 0.29 1.20 -0.46 -1.81 -1.14 0.00 0.00 176.83 174.91 3mdz s ASP 76 N -6.71 4.56 -0.15 3.07 1.01 -1.26 -5.00 116.67 112.19 3mdz s ASP 76 Ca -0.04 -1.02 -0.00 0.00 0.71 0.00 0.00 52.55 52.20 3mdz s ASP 76 Cb 0.08 -0.46 0.12 0.00 1.01 0.00 0.00 42.92 43.67 3mdz s ASP 76 CO 0.84 -0.59 1.82 0.47 0.21 0.00 0.00 175.17 177.92 3mdz n ASP 77 N -1.32 5.27 0.25 0.27 10.43 -1.26 -4.59 116.55 125.59 3mdz n ASP 77 Ca -0.00 -2.66 -0.10 0.00 2.57 0.00 0.00 54.79 54.59 3mdz n ASP 77 Cb 0.64 -0.97 -0.05 0.00 1.84 0.00 0.00 41.12 42.58 3mdz n ASP 77 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 3mdz h ARG 78 N 1.00 -0.64 -4.87 -1.24 2.47 -1.95 -3.41 114.38 105.75 3mdz h ARG 78 Ca 0.15 0.04 -0.69 0.00 -1.26 0.00 0.00 59.98 58.22 3mdz h ARG 78 Cb 1.08 0.14 -0.19 0.00 -1.65 0.00 0.00 29.97 29.35 3mdz h ARG 78 CO 0.36 -0.42 0.03 0.99 0.56 0.00 0.00 179.97 181.49 3mdz s THR 79 N -3.88 4.89 0.08 2.04 2.01 -1.26 -4.80 115.64 114.73 3mdz s THR 79 Ca -0.10 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.31 3mdz s THR 79 Cb 0.01 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 3mdz s THR 79 CO 0.29 -0.84 -0.09 0.68 -0.69 0.00 0.00 174.62 173.97 3mdz s VAL 80 N 2.56 0.76 -0.11 3.82 -7.23 -1.01 -1.66 120.40 117.53 3mdz s VAL 80 Ca 0.14 -1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 58.77 3mdz s VAL 80 Cb -0.20 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3mdz s VAL 80 CO 0.11 -0.54 0.07 0.54 -0.31 0.00 0.00 175.10 174.97 3mdz s VAL 81 N -2.24 4.93 0.21 1.32 0.11 -0.25 -1.15 120.40 123.32 3mdz s VAL 81 Ca 0.01 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 3mdz s VAL 81 Cb -0.04 -3.13 -0.02 0.00 -1.53 0.00 0.00 36.38 31.66 3mdz s VAL 81 CO -0.01 0.60 0.29 0.42 -3.33 0.00 0.00 175.10 173.07 3mdz s THR 82 N -0.81 0.02 0.00 5.04 -4.23 -0.91 -1.08 115.64 113.67 3mdz s THR 82 Ca 0.13 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3mdz s THR 82 Cb -0.12 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3mdz s THR 82 CO 0.03 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3mdz n GLY 83 N -0.30 0.03 7.00 3.99 0.00 -1.26 -1.82 105.19 112.84 3mdz n GLY 83 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3mdz n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mdz n GLY 84 N 0.00 2.97 0.23 -0.02 0.00 -0.99 -1.86 105.19 105.53 3mdz n GLY 84 Ca 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3mdz n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mdz n PRO 85 N 14.00 1.15 -2.25 1.61 -0.04 -1.26 -2.89 135.00 145.32 3mdz n PRO 85 Ca 0.00 -0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 62.57 3mdz n PRO 85 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3mdz n PRO 85 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mdz s LEU 86 N -2.18 4.34 0.00 1.53 1.43 -0.78 -4.91 118.68 118.11 3mdz s LEU 86 Ca 0.37 2.14 0.18 0.00 -1.03 0.00 0.00 54.13 55.78 3mdz s LEU 86 Cb 0.21 -3.57 1.03 0.00 0.03 0.00 0.00 46.19 43.89 3mdz s LEU 86 CO 0.40 -0.66 1.67 -1.84 0.23 0.00 0.00 176.35 176.14 3mdz n GLU 87 N 4.80 1.04 -3.08 1.70 -0.00 -1.26 -4.25 120.64 119.60 3mdz n GLU 87 Ca 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 3mdz n GLU 87 Cb 0.44 -1.28 0.00 0.00 -0.00 0.00 0.00 31.44 30.60 3mdz n GLU 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mdz n GLY 88 N 0.80 -1.24 3.80 -1.84 0.00 -1.26 -5.07 105.19 100.37 3mdz n GLY 88 Ca 0.13 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 3mdz n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mdz s PRO 89 N -0.61 4.28 -0.05 1.61 0.04 -1.26 -4.59 135.00 134.42 3mdz s PRO 89 Ca 0.00 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.35 3mdz s PRO 89 Cb 0.00 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3mdz s PRO 89 CO 0.00 -0.00 -0.13 0.71 0.04 0.00 0.00 177.00 177.62 3mdz s TYR 90 N -1.90 1.45 -0.12 0.56 4.12 -0.24 -4.54 117.35 116.68 3mdz s TYR 90 Ca 0.58 -0.47 -0.28 0.00 0.02 0.00 0.00 57.07 56.93 3mdz s TYR 90 Cb -0.15 -1.03 -0.02 0.00 -1.52 0.00 0.00 41.96 39.25 3mdz s TYR 90 CO 0.19 -0.21 0.93 0.50 0.02 0.00 0.00 175.55 176.99 3mdz s ARG 91 N 0.36 4.39 0.14 -0.62 3.52 0.72 -1.09 118.95 126.37 3mdz s ARG 91 Ca -0.09 1.24 -0.31 0.00 -0.13 0.00 0.00 55.73 56.44 3mdz s ARG 91 Cb -0.13 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.63 3mdz s ARG 91 CO 0.03 -0.27 1.45 -1.17 -0.81 0.00 0.00 175.30 174.53 3mdz s LEU 92 N 1.90 4.37 -0.23 -0.88 2.96 -0.66 -0.38 118.68 125.76 3mdz s LEU 92 Ca 0.45 2.45 -0.11 0.00 -0.22 0.00 0.00 54.13 56.69 3mdz s LEU 92 Cb -0.18 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.82 3mdz s LEU 92 CO 0.17 -0.71 -0.29 1.17 -1.32 0.00 0.00 176.35 175.37 3mdz n LYS 93 N 3.85 0.48 -3.50 1.98 3.00 0.84 -4.64 118.16 120.16 3mdz n LYS 93 Ca 0.12 0.21 -0.10 0.00 -0.00 0.00 0.00 58.31 58.54 3mdz n LYS 93 Cb 0.41 -1.30 -0.02 0.00 0.00 0.00 0.00 35.03 34.12 3mdz n LYS 93 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3mdz s GLN 94 N -2.41 1.12 0.18 1.64 1.03 -1.17 -1.12 119.66 118.94 3mdz s GLN 94 Ca -0.31 -0.45 0.08 0.00 0.04 0.00 0.00 55.36 54.72 3mdz s GLN 94 Cb 0.12 0.49 -0.04 0.00 0.03 0.00 0.00 33.01 33.61 3mdz s GLN 94 CO 0.40 -0.49 -0.16 -0.59 -2.54 0.00 0.00 175.29 171.91 3mdz s PHE 95 N -3.47 1.73 0.24 9.60 -0.12 -0.37 -0.25 117.98 125.33 3mdz s PHE 95 Ca 0.04 -0.53 -0.15 0.00 -0.05 0.00 0.00 56.93 56.24 3mdz s PHE 95 Cb -0.01 -0.83 0.01 0.00 -0.63 0.00 0.00 43.02 41.56 3mdz s PHE 95 CO -0.09 0.33 0.53 -3.38 -0.05 0.00 0.00 175.22 172.56 3mdz s HIS 96 N -2.57 0.14 0.22 3.49 -3.43 -0.91 -1.45 115.29 110.79 3mdz s HIS 96 Ca 0.19 -0.52 0.11 0.00 -0.80 0.00 0.00 55.06 54.04 3mdz s HIS 96 Cb -0.03 0.33 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 3mdz s HIS 96 CO 0.06 -1.01 -0.21 -0.06 -2.00 0.00 0.00 174.74 171.53 3mdz s PHE 97 N -3.96 2.19 -0.03 0.38 0.08 -1.20 -0.43 117.98 115.01 3mdz s PHE 97 Ca 0.17 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.91 3mdz s PHE 97 Cb -0.02 -1.03 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 3mdz s PHE 97 CO 0.05 0.55 -0.23 -1.01 -0.10 0.00 0.00 175.22 174.48 3mdz s HIS 98 N -2.11 2.10 0.27 0.36 3.76 0.04 -4.58 115.29 115.12 3mdz s HIS 98 Ca 0.23 -0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 54.55 3mdz s HIS 98 Cb -0.06 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.28 3mdz s HIS 98 CO 0.11 -0.08 0.55 1.67 -0.85 0.00 0.00 174.74 176.14 3mdz s TRP 99 N -0.43 0.29 0.44 1.40 -2.14 -1.15 -0.93 118.94 116.42 3mdz s TRP 99 Ca 0.06 -0.68 0.07 0.00 2.66 0.00 0.00 56.10 58.21 3mdz s TRP 99 Cb -0.10 0.32 -0.02 0.00 -3.10 0.00 0.00 33.47 30.57 3mdz s TRP 99 CO 0.00 -1.09 0.29 0.20 -2.66 0.00 0.00 176.95 173.69 3mdz s GLY 100 N -3.02 2.29 0.09 3.67 0.00 -1.21 -0.77 107.32 108.37 3mdz s GLY 100 Ca 0.20 -1.82 -0.25 0.00 0.00 0.00 0.00 44.72 42.86 3mdz s GLY 100 CO 0.10 -1.85 1.72 0.50 0.00 0.00 0.00 173.10 173.56 3mdz h LYS 101 N 1.14 -0.16 -5.62 2.90 1.57 -1.89 -3.40 116.57 111.11 3mdz h LYS 101 Ca -0.41 0.01 -0.63 0.00 -1.87 0.00 0.00 60.65 57.75 3mdz h LYS 101 Cb 1.27 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.48 3mdz h LYS 101 CO 0.63 -0.10 -0.60 0.15 -0.57 0.00 0.00 179.45 178.96 3mdz s LYS 102 N -6.17 1.97 0.37 3.15 3.01 -1.26 -5.03 119.74 115.78 3mdz s LYS 102 Ca -0.14 -2.12 0.10 0.00 -1.01 0.00 0.00 55.97 52.80 3mdz s LYS 102 Cb 0.06 -1.61 0.85 0.00 -1.01 0.00 0.00 37.83 36.12 3mdz s LYS 102 CO 0.65 -0.07 1.89 1.25 0.51 0.00 0.00 175.35 179.58 3mdz h HIS 103 N 1.76 0.75 -0.05 3.18 -0.00 -1.95 -3.09 115.15 115.75 3mdz h HIS 103 Ca -0.44 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 59.92 3mdz h HIS 103 Cb 1.24 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 3mdz h HIS 103 CO 0.77 0.29 -0.14 0.38 -0.00 0.00 0.00 177.93 179.24 3mdz h ASP 104 N 0.65 0.07 -3.15 3.26 3.04 -1.94 -3.29 116.42 115.06 3mdz h ASP 104 Ca 0.42 -0.01 -0.47 0.00 -3.24 0.00 0.00 57.03 53.73 3mdz h ASP 104 Cb 0.70 -0.02 -0.14 0.00 -1.04 0.00 0.00 39.33 38.83 3mdz h ASP 104 CO -0.18 0.21 -0.68 0.68 -2.04 0.00 0.00 179.24 177.24 3mdz s VAL 105 N -4.73 1.53 0.00 4.15 -7.23 -1.17 -4.56 120.40 108.39 3mdz s VAL 105 Ca -0.05 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 3mdz s VAL 105 Cb 0.16 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3mdz s VAL 105 CO 0.70 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 3mdz n GLY 106 N -0.53 1.75 3.85 2.32 0.00 -1.10 -3.31 105.19 108.17 3mdz n GLY 106 Ca -0.06 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3mdz n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mdz s SER 107 N 0.00 6.05 -0.15 1.61 1.04 -0.68 -2.95 113.70 118.62 3mdz s SER 107 Ca 0.00 1.51 -0.13 0.00 0.48 0.00 0.00 55.95 57.81 3mdz s SER 107 Cb 0.00 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.54 3mdz s SER 107 CO 0.00 -0.99 0.06 -0.33 0.98 0.00 0.00 173.24 172.96 3mdz h GLU 108 N -0.20 0.00 -7.03 4.02 5.08 -1.90 -3.46 114.58 111.09 3mdz h GLU 108 Ca -0.44 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.44 3mdz h GLU 108 Cb 1.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.48 3mdz h GLU 108 CO 0.60 0.38 0.41 -1.01 -1.00 0.00 0.00 179.01 178.39 3mdz s HIS 109 N -2.15 3.05 0.12 4.33 3.76 -1.26 -4.27 115.29 118.87 3mdz s HIS 109 Ca -0.16 1.59 0.10 0.00 -0.15 0.00 0.00 55.06 56.44 3mdz s HIS 109 Cb 0.02 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 3mdz s HIS 109 CO 0.33 -0.87 -0.25 0.95 -0.85 0.00 0.00 174.74 174.05 3mdz s THR 110 N -1.82 2.06 -0.21 1.30 -4.23 -1.10 -4.74 115.64 106.90 3mdz s THR 110 Ca 0.64 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.44 3mdz s THR 110 Cb -0.20 -1.84 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 3mdz s THR 110 CO 0.24 0.03 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.59 3mdz s VAL 111 N -1.11 3.20 -1.44 2.29 1.01 -0.53 -0.12 120.40 123.70 3mdz s VAL 111 Ca 0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3mdz s VAL 111 Cb -0.10 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3mdz s VAL 111 CO 0.05 0.44 0.28 0.47 0.00 0.00 0.00 175.10 176.35 3mdz n ASP 112 N 4.68 -0.23 0.00 3.32 8.00 0.26 -0.76 116.55 131.81 3mdz n ASP 112 Ca -0.19 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3mdz n ASP 112 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.22 3mdz n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mdz n GLY 113 N -2.23 1.90 3.64 0.44 0.00 -1.26 -5.01 105.19 102.67 3mdz n GLY 113 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3mdz n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mdz s LYS 114 N -0.02 3.99 0.33 1.61 2.20 0.06 -5.04 119.74 122.86 3mdz s LYS 114 Ca 0.00 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 3mdz s LYS 114 Cb 0.00 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 3mdz s LYS 114 CO 0.00 0.24 0.53 -1.12 -0.36 0.00 0.00 175.35 174.64 3mdz s SER 115 N 0.46 6.31 0.35 1.43 0.01 -1.26 -1.45 113.70 119.56 3mdz s SER 115 Ca 0.04 0.45 0.08 0.00 1.31 0.00 0.00 55.95 57.83 3mdz s SER 115 Cb -0.12 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 3mdz s SER 115 CO 0.00 -0.26 0.07 -0.36 0.41 0.00 0.00 173.24 173.10 3mdz s PHE 116 N -2.25 2.59 -0.68 2.43 0.08 -1.26 -4.86 117.98 114.03 3mdz s PHE 116 Ca 0.40 -0.46 0.23 0.00 0.12 0.00 0.00 56.93 57.22 3mdz s PHE 116 Cb -0.10 -1.61 0.90 0.00 -0.57 0.00 0.00 43.02 41.65 3mdz s PHE 116 CO 0.35 0.40 1.71 -0.35 -0.10 0.00 0.00 175.22 177.23 3mdz n PRO 117 N -1.04 0.16 -3.64 0.24 -0.04 -1.20 -1.69 135.00 127.79 3mdz n PRO 117 Ca -0.03 0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 3mdz n PRO 117 Cb 0.63 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 3mdz n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mdz s SER 118 N -3.99 -0.41 -0.08 3.54 0.15 -1.21 -3.38 113.70 108.32 3mdz s SER 118 Ca 0.07 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.38 3mdz s SER 118 Cb 0.11 0.66 0.04 0.00 -1.71 0.00 0.00 66.02 65.12 3mdz s SER 118 CO 0.44 -1.15 0.18 -0.70 1.20 0.00 0.00 173.24 173.20 3mdz s GLU 119 N -3.82 0.14 -0.00 5.44 2.12 -0.11 -2.11 118.70 120.36 3mdz s GLU 119 Ca 0.06 0.39 -0.10 0.00 0.36 0.00 0.00 54.97 55.67 3mdz s GLU 119 Cb -0.03 -0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 3mdz s GLU 119 CO -0.03 -0.14 0.32 -1.17 -0.54 0.00 0.00 175.26 173.71 3mdz s LEU 120 N 0.98 4.41 -0.20 2.70 2.96 0.46 -0.78 118.68 129.21 3mdz s LEU 120 Ca -0.07 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 3mdz s LEU 120 Cb -0.09 -2.59 0.05 0.00 0.50 0.00 0.00 46.19 44.05 3mdz s LEU 120 CO -0.05 0.29 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.19 3mdz s HIS 121 N -1.19 2.20 -0.41 5.38 3.76 0.43 -1.66 115.29 123.79 3mdz s HIS 121 Ca 0.25 -1.48 -0.19 0.00 -0.15 0.00 0.00 55.06 53.48 3mdz s HIS 121 Cb -0.14 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.03 3mdz s HIS 121 CO 0.13 -0.71 0.57 -0.51 -0.85 0.00 0.00 174.74 173.37 3mdz s LEU 122 N 1.47 4.53 -0.34 0.89 1.43 0.81 -2.14 118.68 125.32 3mdz s LEU 122 Ca -0.02 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 3mdz s LEU 122 Cb -0.17 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 3mdz s LEU 122 CO -0.08 -0.66 0.32 -0.69 0.23 0.00 0.00 176.35 175.47 3mdz s VAL 123 N 2.58 5.21 0.20 -1.59 1.01 0.65 -1.46 120.40 127.01 3mdz s VAL 123 Ca 0.20 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.25 3mdz s VAL 123 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3mdz s VAL 123 CO 0.16 -0.05 -0.13 -1.00 0.00 0.00 0.00 175.10 174.08 3mdz s HIS 124 N 1.92 2.52 0.13 5.22 3.76 0.05 -0.11 115.29 128.77 3mdz s HIS 124 Ca 0.10 -0.27 0.06 0.00 -0.15 0.00 0.00 55.06 54.80 3mdz s HIS 124 Cb -0.17 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 3mdz s HIS 124 CO 0.11 0.54 -0.13 1.67 -0.85 0.00 0.00 174.74 176.08 3mdz s TRP 125 N -1.83 1.39 -1.01 1.40 1.48 0.49 -1.27 118.94 119.58 3mdz s TRP 125 Ca 0.25 -0.59 -0.19 0.00 -1.06 0.00 0.00 56.10 54.51 3mdz s TRP 125 Cb -0.08 -0.72 0.12 0.00 -1.16 0.00 0.00 33.47 31.63 3mdz s TRP 125 CO 0.14 0.15 1.27 1.21 -4.06 0.00 0.00 176.95 175.66 3mdz s ASN 126 N -2.62 6.69 0.02 -2.66 3.84 -0.36 -0.20 114.94 119.65 3mdz s ASN 126 Ca 0.11 -2.13 0.28 0.00 0.21 0.00 0.00 52.86 51.33 3mdz s ASN 126 Cb -0.03 -2.44 1.03 0.00 -0.55 0.00 0.00 41.25 39.25 3mdz s ASN 126 CO 0.03 -1.09 1.79 0.00 -2.79 0.00 0.00 177.10 175.04 3mdz n ALA 127 N 6.90 2.59 -0.06 1.71 0.00 -1.26 -1.56 120.51 128.82 3mdz n ALA 127 Ca 0.29 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 3mdz n ALA 127 Cb 0.48 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 3mdz n ALA 127 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3mdz h LYS 128 N 0.00 0.36 0.07 0.00 3.64 -1.87 -3.37 116.57 115.40 3mdz h LYS 128 Ca 0.00 -0.16 -0.23 0.00 -1.27 0.00 0.00 60.65 59.00 3mdz h LYS 128 Cb 0.53 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3mdz h LYS 128 CO 0.00 0.67 -1.18 -0.22 -2.27 0.00 0.00 179.45 176.45 3mdz h LYS 129 N 0.04 0.15 -6.21 1.90 3.64 -1.94 -3.48 116.57 110.67 3mdz h LYS 129 Ca 0.04 -0.25 -0.54 0.00 -1.27 0.00 0.00 60.65 58.63 3mdz h LYS 129 Cb 0.56 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 3mdz h LYS 129 CO 0.03 1.12 -0.56 0.71 -2.27 0.00 0.00 179.45 178.48 3mdz s TYR 130 N -2.41 3.07 -0.13 1.91 2.02 -0.60 -5.03 117.35 116.16 3mdz s TYR 130 Ca -0.22 -0.09 0.18 0.00 -0.37 0.00 0.00 57.07 56.57 3mdz s TYR 130 Cb 0.04 -1.42 -0.14 0.00 -0.40 0.00 0.00 41.96 40.03 3mdz s TYR 130 CO 0.71 0.53 0.76 0.43 -1.57 0.00 0.00 175.55 176.41 3mdz n SER 131 N -0.80 0.72 -3.93 2.29 7.64 -1.26 -4.33 113.62 113.96 3mdz n SER 131 Ca -0.08 0.31 -0.09 0.00 1.01 0.00 0.00 58.87 60.02 3mdz n SER 131 Cb 0.57 0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 64.11 3mdz n SER 131 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mdz s THR 132 N -2.99 0.07 0.12 0.44 -4.23 -1.26 -5.07 115.64 102.71 3mdz s THR 132 Ca -0.04 -1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 3mdz s THR 132 Cb 0.09 -1.77 -0.07 0.00 1.34 0.00 0.00 72.50 72.09 3mdz s THR 132 CO 0.82 -0.30 1.45 0.15 -0.54 0.00 0.00 174.62 176.19 3mdz h PHE 133 N 2.52 0.94 -0.57 3.99 3.57 -1.97 -1.01 116.94 124.41 3mdz h PHE 133 Ca -0.32 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 60.88 3mdz h PHE 133 Cb 1.23 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 3mdz h PHE 133 CO 0.39 1.05 0.26 0.78 -2.23 0.00 0.00 178.31 178.56 3mdz h GLY 134 N 0.56 0.86 0.90 2.40 0.00 -1.98 0.20 103.07 106.01 3mdz h GLY 134 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 3mdz h GLY 134 CO 0.08 0.39 -0.29 -2.09 0.00 0.00 0.00 176.54 174.63 3mdz h GLU 135 N 0.80 -0.77 -0.56 4.80 4.81 -1.94 -3.08 114.58 118.64 3mdz h GLU 135 Ca 0.20 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.59 3mdz h GLU 135 Cb 0.11 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3mdz h GLU 135 CO -0.02 -0.48 0.38 0.00 -0.73 0.00 0.00 179.01 178.16 3mdz h ALA 136 N -0.57 2.13 0.00 2.92 0.00 -0.86 -2.70 119.26 120.18 3mdz h ALA 136 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3mdz h ALA 136 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3mdz h ALA 136 CO 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3mdz h ALA 137 N 1.72 1.00 0.00 0.00 0.00 -0.52 -2.47 119.26 118.99 3mdz h ALA 137 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3mdz h ALA 137 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3mdz h ALA 137 CO -0.06 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.62 3mdz n SER 138 N -2.78 1.56 -4.93 0.00 7.64 -1.03 -4.73 113.62 109.36 3mdz n SER 138 Ca -0.01 -1.72 -0.28 0.00 1.01 0.00 0.00 58.87 57.88 3mdz n SER 138 Cb 0.16 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 3mdz n SER 138 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mdz s ALA 139 N -0.72 3.85 0.36 -0.43 0.00 -0.93 -4.81 121.76 119.09 3mdz s ALA 139 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.85 3mdz s ALA 139 Cb 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 3mdz s ALA 139 CO 0.00 0.49 1.39 -2.14 0.00 0.00 0.00 175.76 175.51 3mdz s PRO 140 N -3.20 4.19 -1.34 0.00 0.02 -1.26 -1.83 135.00 131.58 3mdz s PRO 140 Ca 0.38 2.38 -0.09 0.00 0.02 0.00 0.00 61.00 63.69 3mdz s PRO 140 Cb -0.11 -2.99 0.06 0.00 0.02 0.00 0.00 34.50 31.49 3mdz s PRO 140 CO 0.28 -0.39 0.53 -0.25 -0.33 0.00 0.00 177.00 176.84 3mdz n ASP 141 N 0.56 -4.10 0.02 2.53 8.00 -1.26 -4.88 116.55 117.42 3mdz n ASP 141 Ca 0.01 -0.40 -0.11 0.00 0.71 0.00 0.00 54.79 55.00 3mdz n ASP 141 Cb 0.41 -3.37 -0.14 0.00 -0.02 0.00 0.00 41.12 38.00 3mdz n ASP 141 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3mdz h GLY 142 N -1.08 0.10 -3.80 0.44 0.00 -1.19 -3.43 103.07 94.10 3mdz h GLY 142 Ca -0.45 -0.25 -0.41 0.00 0.00 0.00 0.00 47.33 46.23 3mdz h GLY 142 CO 0.55 0.22 -0.76 1.08 0.00 0.00 0.00 176.54 177.62 3mdz s LEU 143 N -6.54 2.38 -0.13 3.11 1.43 -0.39 -1.23 118.68 117.30 3mdz s LEU 143 Ca -0.06 -0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 3mdz s LEU 143 Cb 0.08 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.81 3mdz s LEU 143 CO 0.83 -0.14 -0.05 0.00 0.23 0.00 0.00 176.35 177.22 3mdz s ALA 144 N -1.99 1.28 -0.14 4.21 0.00 -0.40 -1.00 121.76 123.72 3mdz s ALA 144 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.41 3mdz s ALA 144 Cb -0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3mdz s ALA 144 CO 0.03 -0.61 -0.12 0.08 0.00 0.00 0.00 175.76 175.13 3mdz s VAL 145 N 1.73 3.08 -0.17 0.00 1.01 -0.83 -0.77 120.40 124.44 3mdz s VAL 145 Ca 0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3mdz s VAL 145 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3mdz s VAL 145 CO -0.08 0.52 -0.00 -0.69 0.00 0.00 0.00 175.10 174.85 3mdz s VAL 146 N 0.46 4.14 0.10 2.92 1.01 -0.54 -0.78 120.40 127.71 3mdz s VAL 146 Ca -0.09 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.71 3mdz s VAL 146 Cb -0.16 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3mdz s VAL 146 CO 0.04 0.47 -0.17 -0.83 0.00 0.00 0.00 175.10 174.61 3mdz s GLY 147 N 0.54 1.68 -0.05 4.51 0.00 -0.32 -0.13 107.32 113.55 3mdz s GLY 147 Ca -0.01 -1.30 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 3mdz s GLY 147 CO 0.02 -1.27 0.09 0.14 0.00 0.00 0.00 173.10 172.09 3mdz s VAL 148 N -1.11 -0.12 0.67 1.40 1.01 -0.67 -1.14 120.40 120.44 3mdz s VAL 148 Ca 0.18 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 3mdz s VAL 148 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 3mdz s VAL 148 CO 0.10 0.13 1.06 -0.36 0.00 0.00 0.00 175.10 176.03 3mdz s PHE 149 N 1.72 3.42 -0.08 5.22 0.08 -1.26 -0.41 117.98 126.67 3mdz s PHE 149 Ca -0.02 1.20 0.01 0.00 0.12 0.00 0.00 56.93 58.24 3mdz s PHE 149 Cb -0.12 -2.90 0.02 0.00 -0.57 0.00 0.00 43.02 39.45 3mdz s PHE 149 CO -0.04 -0.99 -0.08 -0.51 -0.10 0.00 0.00 175.22 173.49 3mdz s LEU 150 N -5.32 1.35 0.42 -0.37 1.02 -0.90 -2.03 118.68 112.85 3mdz s LEU 150 Ca 0.57 -0.26 0.05 0.00 0.02 0.00 0.00 54.13 54.51 3mdz s LEU 150 Cb -0.11 -0.75 0.01 0.00 0.02 0.00 0.00 46.19 45.36 3mdz s LEU 150 CO 0.53 -0.05 0.59 -1.61 0.02 0.00 0.00 176.35 175.83 3mdz s GLU 151 N 1.20 2.89 -0.10 1.70 2.02 -0.63 -3.22 118.70 122.56 3mdz s GLU 151 Ca -0.05 -1.00 -0.11 0.00 0.02 0.00 0.00 54.97 53.83 3mdz s GLU 151 Cb -0.14 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.34 3mdz s GLU 151 CO -0.02 -0.25 0.24 0.95 0.02 0.00 0.00 175.26 176.20 3mdz s THR 152 N -2.40 5.33 0.00 3.63 -4.23 -1.26 -2.09 115.64 114.62 3mdz s THR 152 Ca 0.52 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 3mdz s THR 152 Cb -0.10 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3mdz s THR 152 CO 0.34 0.54 0.00 0.61 -0.54 0.00 0.00 174.62 175.57 3mdz n GLY 153 N 2.36 1.46 3.96 3.99 0.00 0.16 -4.90 105.19 112.24 3mdz n GLY 153 Ca -0.16 0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3mdz n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mdz s ASP 154 N 2.00 3.69 0.74 1.61 -0.00 -1.26 -4.23 116.67 119.23 3mdz s ASP 154 Ca 0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 52.55 52.39 3mdz s ASP 154 Cb 0.00 -0.15 0.04 0.00 -0.00 0.00 0.00 42.92 42.81 3mdz s ASP 154 CO 0.00 -2.33 1.08 -1.61 -0.00 0.00 0.00 175.17 172.31 3mdz s GLU 155 N -5.54 2.52 -0.25 8.23 8.01 -1.26 -2.74 118.70 127.68 3mdz s GLU 155 Ca 0.70 0.95 0.01 0.00 0.01 0.00 0.00 54.97 56.65 3mdz s GLU 155 Cb -0.04 -1.94 0.06 0.00 -4.31 0.00 0.00 34.13 27.90 3mdz s GLU 155 CO 0.49 -1.39 -0.05 -1.58 0.01 0.00 0.00 175.26 172.73 3mdz s HIS 156 N -3.02 2.68 0.05 1.61 2.46 -1.26 -4.84 115.29 112.97 3mdz s HIS 156 Ca 0.60 -1.98 -0.28 0.00 0.47 0.00 0.00 55.06 53.86 3mdz s HIS 156 Cb -0.15 -1.76 -0.17 0.00 -0.13 0.00 0.00 32.58 30.37 3mdz s HIS 156 CO 0.55 -0.82 1.52 -1.35 -2.47 0.00 0.00 174.74 172.17 3mdz h PRO 157 N 7.89 -0.54 -0.84 2.88 0.11 -1.97 -2.88 132.00 136.65 3mdz h PRO 157 Ca -0.17 0.04 0.24 0.00 0.11 0.00 0.00 66.00 66.22 3mdz h PRO 157 Cb 1.06 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3mdz h PRO 157 CO 0.43 -0.30 0.64 0.77 -0.21 0.00 0.00 178.00 179.34 3mdz h SER 158 N -0.67 0.00 -0.74 -2.05 0.02 -1.97 -1.53 113.55 106.61 3mdz h SER 158 Ca -0.06 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.43 3mdz h SER 158 Cb 0.49 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.81 3mdz h SER 158 CO 0.09 0.00 0.59 0.80 -1.14 0.00 0.00 176.83 177.17 3mdz n MET 159 N -4.14 2.13 -0.10 3.45 0.00 -1.09 -3.69 117.12 113.68 3mdz n MET 159 Ca 0.17 -2.36 -0.13 0.00 0.00 0.00 0.00 57.70 55.39 3mdz n MET 159 Cb 0.94 -1.92 -0.12 0.00 0.00 0.00 0.00 33.22 32.12 3mdz n MET 159 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3mdz n ASN 160 N -0.45 1.61 -0.24 6.12 3.02 -0.57 -3.85 115.26 120.89 3mdz n ASN 160 Ca 0.46 -0.07 0.01 0.00 -0.03 0.00 0.00 54.58 54.94 3mdz n ASN 160 Cb 0.90 0.17 0.13 0.00 -0.61 0.00 0.00 39.78 40.37 3mdz n ASN 160 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3mdz h ARG 161 N 0.00 0.61 0.67 3.52 2.43 -1.77 0.39 114.38 120.23 3mdz h ARG 161 Ca -0.49 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 3mdz h ARG 161 Cb 1.90 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 31.32 3mdz h ARG 161 CO -0.04 0.40 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.43 3mdz h LEU 162 N 0.63 -0.76 -2.08 3.80 3.38 -1.80 -3.29 115.31 115.18 3mdz h LEU 162 Ca 0.34 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3mdz h LEU 162 Cb 0.33 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3mdz h LEU 162 CO -0.25 -0.47 -0.02 0.74 0.09 0.00 0.00 178.44 178.53 3mdz h THR 163 N -1.06 0.87 0.00 0.22 2.02 -1.55 -0.64 112.91 112.77 3mdz h THR 163 Ca -0.09 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3mdz h THR 163 Cb 0.69 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 3mdz h THR 163 CO 0.15 0.02 -0.38 0.44 0.37 0.00 0.00 175.52 176.13 3mdz h ASP 164 N 0.00 0.00 0.93 4.18 3.32 -1.09 -3.14 116.42 120.62 3mdz h ASP 164 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3mdz h ASP 164 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3mdz h ASP 164 CO 0.00 0.38 -0.05 0.00 -1.72 0.00 0.00 179.24 177.85 3mdz h ALA 165 N 1.62 1.02 -0.06 3.45 0.00 -1.18 -3.18 119.26 120.93 3mdz h ALA 165 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mdz h ALA 165 Cb 1.24 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3mdz h ALA 165 CO 0.05 0.06 0.10 -0.07 0.00 0.00 0.00 179.25 179.39 3mdz h LEU 166 N 0.00 0.00 -0.93 0.00 3.38 -1.52 0.53 115.31 116.77 3mdz h LEU 166 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3mdz h LEU 166 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3mdz h LEU 166 CO 0.01 0.00 -0.13 0.22 0.09 0.00 0.00 178.44 178.63 3mdz h TYR 167 N 0.00 0.69 -0.09 1.13 3.20 -1.78 -3.20 116.97 116.93 3mdz h TYR 167 Ca 0.03 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.67 3mdz h TYR 167 Cb 0.22 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3mdz h TYR 167 CO 0.00 0.74 -0.43 0.52 -1.64 0.00 0.00 178.16 177.35 3mdz h MET 168 N 0.58 0.19 -1.52 1.82 2.86 -1.11 -3.29 114.93 114.45 3mdz h MET 168 Ca 0.10 -0.10 -0.62 0.00 -2.06 0.00 0.00 59.70 57.03 3mdz h MET 168 Cb 0.56 -0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.83 3mdz h MET 168 CO 0.04 0.60 -0.43 1.33 1.06 0.00 0.00 176.91 179.50 3mdz n VAL 169 N -4.01 2.60 0.05 -2.22 0.24 -1.21 -4.80 118.33 108.98 3mdz n VAL 169 Ca -0.02 -4.75 -0.01 0.00 -2.04 0.00 0.00 64.34 57.53 3mdz n VAL 169 Cb 0.49 -1.25 -0.07 0.00 -1.47 0.00 0.00 33.84 31.54 3mdz n VAL 169 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3mdz h ARG 170 N 2.60 0.00 -6.20 7.34 0.11 -1.64 -3.39 114.38 113.21 3mdz h ARG 170 Ca 0.35 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.85 3mdz h ARG 170 Cb 0.83 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.86 3mdz h ARG 170 CO 0.95 0.40 -0.13 -0.06 0.10 0.00 0.00 179.97 181.23 3mdz s PHE 171 N -2.88 3.67 0.10 4.08 0.08 -1.26 -0.31 117.98 121.46 3mdz s PHE 171 Ca -0.01 1.04 -0.36 0.00 0.12 0.00 0.00 56.93 57.72 3mdz s PHE 171 Cb 0.08 -2.34 -0.16 0.00 -0.57 0.00 0.00 43.02 40.03 3mdz s PHE 171 CO 0.80 0.53 1.41 1.17 -0.10 0.00 0.00 175.22 179.02 3mdz n LYS 172 N 1.23 1.42 0.00 0.44 4.81 -0.65 -2.83 118.16 122.59 3mdz n LYS 172 Ca -0.09 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3mdz n LYS 172 Cb 0.52 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.38 3mdz n LYS 172 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mdz n GLY 173 N 2.78 0.46 3.77 3.14 0.00 -0.34 -4.44 105.19 110.56 3mdz n GLY 173 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3mdz n GLY 173 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mdz s THR 174 N -2.00 5.14 -0.04 2.61 -4.23 -1.13 -4.95 115.64 111.04 3mdz s THR 174 Ca 0.00 0.85 0.04 0.00 -1.18 0.00 0.00 61.69 61.40 3mdz s THR 174 Cb 0.00 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 3mdz s THR 174 CO 0.00 0.43 -0.16 -0.75 -0.54 0.00 0.00 174.62 173.61 3mdz s LYS 175 N -0.06 1.65 0.00 3.99 2.20 -1.26 -1.86 119.74 124.40 3mdz s LYS 175 Ca 0.24 -0.55 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 3mdz s LYS 175 Cb -0.15 -1.44 -0.01 0.00 -1.51 0.00 0.00 37.83 34.71 3mdz s LYS 175 CO 0.11 0.21 -0.09 0.00 -0.36 0.00 0.00 175.35 175.22 3mdz s ALA 176 N 0.09 0.76 0.30 3.13 0.00 0.43 -4.99 121.76 121.47 3mdz s ALA 176 Ca -0.04 -0.45 -0.27 0.00 0.00 0.00 0.00 51.96 51.19 3mdz s ALA 176 Cb -0.11 -0.17 -0.14 0.00 0.00 0.00 0.00 23.12 22.70 3mdz s ALA 176 CO 0.02 0.17 0.94 1.04 0.00 0.00 0.00 175.76 177.93 3mdz n GLN 177 N 2.66 1.19 -2.96 0.00 6.02 -1.26 -0.54 117.38 122.49 3mdz n GLN 177 Ca -0.15 0.42 -0.16 0.00 -0.01 0.00 0.00 57.00 57.11 3mdz n GLN 177 Cb 0.57 -1.76 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 3mdz n GLN 177 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3mdz n PHE 178 N 0.09 -1.95 -2.93 1.08 7.35 -1.20 -4.66 117.46 115.24 3mdz n PHE 178 Ca 0.10 -2.60 -0.36 0.00 -0.76 0.00 0.00 57.45 53.83 3mdz n PHE 178 Cb 0.32 0.67 -0.06 0.00 0.35 0.00 0.00 39.48 40.76 3mdz n PHE 178 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3mdz s SER 179 N -1.45 7.17 -0.77 -2.13 0.01 -1.26 -3.46 113.70 111.81 3mdz s SER 179 Ca 0.33 1.63 0.00 0.00 1.31 0.00 0.00 55.95 59.23 3mdz s SER 179 Cb 0.20 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.93 3mdz s SER 179 CO -0.18 -0.06 0.00 0.00 0.41 0.00 0.00 173.24 173.41 3mdz s PHE 181 N -2.34 3.13 -0.17 0.00 5.36 -1.26 -4.98 117.98 117.71 3mdz s PHE 181 Ca 0.00 -0.45 -0.22 0.00 -0.96 0.00 0.00 56.93 55.30 3mdz s PHE 181 Cb 0.00 -3.15 -0.02 0.00 -0.34 0.00 0.00 43.02 39.50 3mdz s PHE 181 CO 0.00 -0.82 0.69 1.21 -1.46 0.00 0.00 175.22 174.83 3mdz s ASN 182 N 2.16 6.79 0.00 6.13 3.84 -1.26 -4.42 114.94 128.19 3mdz s ASN 182 Ca 0.13 0.96 0.14 0.00 0.21 0.00 0.00 52.86 54.30 3mdz s ASN 182 Cb -0.18 -2.38 0.68 0.00 -0.55 0.00 0.00 41.25 38.82 3mdz s ASN 182 CO 0.13 -0.28 1.46 -0.81 -2.79 0.00 0.00 177.10 174.80 3mdz n PRO 183 N 4.91 1.24 -0.34 0.43 -0.04 -1.26 -3.22 135.00 136.72 3mdz n PRO 183 Ca 0.00 -0.37 0.26 0.00 -0.04 0.00 0.00 63.50 63.35 3mdz n PRO 183 Cb 0.50 -1.24 0.54 0.00 -0.04 0.00 0.00 33.50 33.26 3mdz n PRO 183 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3mdz h LYS 184 N 0.69 0.31 0.00 0.54 1.57 -1.93 -1.35 116.57 116.40 3mdz h LYS 184 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3mdz h LYS 184 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3mdz h LYS 184 CO 0.00 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 3mdz n LEU 186 N -0.88 2.68 -4.85 0.00 4.77 -0.51 -4.81 117.00 113.41 3mdz n LEU 186 Ca 0.18 -1.34 -0.38 0.00 -0.03 0.00 0.00 56.01 54.44 3mdz n LEU 186 Cb 0.08 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3mdz n LEU 186 CO 0.13 0.56 -0.01 -0.76 -1.33 0.00 0.00 177.39 175.99 3mdz s LEU 187 N -1.22 4.43 0.70 2.23 1.43 -0.96 -4.86 118.68 120.43 3mdz s LEU 187 Ca 0.24 0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 3mdz s LEU 187 Cb 0.15 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 44.00 3mdz s LEU 187 CO 0.21 0.34 1.06 -2.16 0.23 0.00 0.00 176.35 176.03 3mdz s PRO 188 N -0.96 2.90 0.15 1.29 0.04 -1.26 -4.98 135.00 132.18 3mdz s PRO 188 Ca 0.20 0.94 -0.21 0.00 0.04 0.00 0.00 61.00 61.97 3mdz s PRO 188 Cb -0.15 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.44 3mdz s PRO 188 CO 0.09 -1.12 1.66 0.00 0.04 0.00 0.00 177.00 177.67 3mdz h ALA 189 N -0.74 0.02 -2.72 8.56 0.00 -1.94 -3.42 119.26 119.02 3mdz h ALA 189 Ca -0.44 0.09 -0.52 0.00 0.00 0.00 0.00 54.91 54.05 3mdz h ALA 189 Cb 1.21 0.36 0.02 0.00 0.00 0.00 0.00 17.79 19.39 3mdz h ALA 189 CO 0.57 -0.57 0.54 0.45 0.00 0.00 0.00 179.25 180.24 3mdz s SER 190 N -5.10 7.11 -0.29 0.00 0.15 -1.26 -4.93 113.70 109.38 3mdz s SER 190 Ca -0.14 2.28 0.12 0.00 0.70 0.00 0.00 55.95 58.91 3mdz s SER 190 Cb 0.12 -2.62 0.76 0.00 -1.71 0.00 0.00 66.02 62.57 3mdz s SER 190 CO 0.69 -0.32 1.76 0.54 1.20 0.00 0.00 173.24 177.11 3mdz n ARG 191 N 2.01 4.06 -2.26 5.44 5.12 -1.26 -4.81 116.66 124.95 3mdz n ARG 191 Ca 0.02 -3.11 -0.36 0.00 -1.93 0.00 0.00 57.85 52.47 3mdz n ARG 191 Cb 0.44 -2.21 -0.00 0.00 -1.16 0.00 0.00 32.46 29.53 3mdz n ARG 191 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3mdz s HIS 192 N -2.92 2.77 0.18 -1.55 3.76 -1.26 -4.76 115.29 111.51 3mdz s HIS 192 Ca 0.54 1.54 -0.22 0.00 -0.15 0.00 0.00 55.06 56.77 3mdz s HIS 192 Cb 0.43 -3.33 0.06 0.00 1.11 0.00 0.00 32.58 30.85 3mdz s HIS 192 CO 0.14 -1.53 0.62 1.52 -0.85 0.00 0.00 174.74 174.64 3mdz s TYR 193 N -1.67 -0.46 0.19 1.40 -0.85 -1.26 -2.18 117.35 112.52 3mdz s TYR 193 Ca 0.68 0.20 0.05 0.00 -0.52 0.00 0.00 57.07 57.49 3mdz s TYR 193 Cb -0.26 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 3mdz s TYR 193 CO 0.30 -0.92 0.18 -1.58 -1.52 0.00 0.00 175.55 172.01 3mdz s TRP 194 N -3.79 3.20 -0.01 -3.49 0.51 0.51 -1.77 118.94 114.11 3mdz s TRP 194 Ca 0.03 -0.02 -0.09 0.00 -2.12 0.00 0.00 56.10 53.90 3mdz s TRP 194 Cb -0.02 -1.51 0.01 0.00 -0.81 0.00 0.00 33.47 31.14 3mdz s TRP 194 CO -0.09 0.52 0.17 -0.08 -0.51 0.00 0.00 176.95 176.96 3mdz s THR 195 N -1.85 0.07 -0.01 2.01 -1.32 -0.39 -0.48 115.64 113.67 3mdz s THR 195 Ca 0.32 -0.59 -0.29 0.00 -1.21 0.00 0.00 61.69 59.92 3mdz s THR 195 Cb -0.10 -0.45 0.10 0.00 -1.51 0.00 0.00 72.50 70.54 3mdz s THR 195 CO 0.25 -0.33 0.89 -0.72 -2.21 0.00 0.00 174.62 172.50 3mdz s TYR 196 N -1.25 -0.36 -0.07 9.09 -0.85 -0.97 -0.98 117.35 121.97 3mdz s TYR 196 Ca -0.13 0.26 -0.26 0.00 -0.52 0.00 0.00 57.07 56.42 3mdz s TYR 196 Cb -0.07 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 3mdz s TYR 196 CO 0.02 -0.54 0.83 -1.25 -1.52 0.00 0.00 175.55 173.09 3mdz s PRO 197 N -2.95 4.45 0.00 -3.49 0.04 -1.26 -0.92 135.00 130.87 3mdz s PRO 197 Ca 0.04 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3mdz s PRO 197 Cb -0.01 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3mdz s PRO 197 CO -0.08 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.30 3mdz n GLY 198 N 3.11 4.50 3.43 0.56 0.00 0.14 -4.82 105.19 112.10 3mdz n GLY 198 Ca 0.03 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 3mdz n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mdz s SER 199 N 1.53 2.15 0.48 1.61 1.04 -0.99 -1.64 113.70 117.89 3mdz s SER 199 Ca 0.00 -1.41 -0.24 0.00 0.48 0.00 0.00 55.95 54.78 3mdz s SER 199 Cb 0.00 0.03 -0.07 0.00 0.10 0.00 0.00 66.02 66.08 3mdz s SER 199 CO 0.00 -0.67 1.36 -0.76 0.98 0.00 0.00 173.24 174.15 3mdz s LEU 200 N -3.46 4.02 0.00 2.42 1.43 -0.42 -4.50 118.68 118.17 3mdz s LEU 200 Ca 0.36 2.78 0.25 0.00 -1.03 0.00 0.00 54.13 56.48 3mdz s LEU 200 Cb 0.08 -4.09 0.44 0.00 0.03 0.00 0.00 46.19 42.65 3mdz s LEU 200 CO 0.15 -1.26 1.38 0.35 0.23 0.00 0.00 176.35 177.20 3mdz n THR 201 N -0.49 0.00 -4.31 5.49 -2.24 -1.26 -4.40 114.28 107.06 3mdz n THR 201 Ca 0.07 -0.31 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 3mdz n THR 201 Cb 0.44 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 3mdz n THR 201 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mdz s THR 202 N -2.23 1.67 0.14 4.28 -4.23 -1.26 -4.72 115.64 109.29 3mdz s THR 202 Ca 0.27 -1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 58.54 3mdz s THR 202 Cb 0.20 -1.81 -0.17 0.00 1.34 0.00 0.00 72.50 72.06 3mdz s THR 202 CO 0.42 -0.41 0.64 -2.65 -0.54 0.00 0.00 174.62 172.09 3mdz n PRO 203 N 0.20 0.00 -0.15 3.99 -0.02 -1.26 -1.53 135.00 136.23 3mdz n PRO 203 Ca -0.13 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.38 3mdz n PRO 203 Cb 0.58 -1.09 0.09 0.00 -0.02 0.00 0.00 33.50 33.06 3mdz n PRO 203 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mdz n PRO 204 N 1.09 1.65 -1.87 0.52 -0.04 -1.26 -5.00 135.00 130.09 3mdz n PRO 204 Ca 0.18 -0.73 -0.20 0.00 -0.04 0.00 0.00 63.50 62.71 3mdz n PRO 204 Cb 0.20 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 3mdz n PRO 204 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mdz n LEU 205 N 0.09 -1.63 -4.73 1.53 4.77 -0.58 -4.91 117.00 111.54 3mdz n LEU 205 Ca 0.07 0.33 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 3mdz n LEU 205 Cb 0.29 -2.84 0.01 0.00 -2.33 0.00 0.00 43.42 38.54 3mdz n LEU 205 CO 0.06 -0.77 0.97 -1.20 -1.33 0.00 0.00 177.39 175.12 3mdz n SER 206 N -1.56 2.97 -3.66 -1.43 7.64 -1.26 -4.37 113.62 111.94 3mdz n SER 206 Ca -0.22 1.14 -0.41 0.00 1.01 0.00 0.00 58.87 60.39 3mdz n SER 206 Cb 0.68 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3mdz n SER 206 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mdz n GLU 207 N 0.08 4.22 -0.01 1.43 1.02 -1.26 -1.30 120.64 124.81 3mdz n GLU 207 Ca 0.05 -3.57 0.01 0.00 -0.02 0.00 0.00 57.16 53.63 3mdz n GLU 207 Cb 0.40 -2.74 0.01 0.00 -0.02 0.00 0.00 31.44 29.09 3mdz n GLU 207 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3mdz n SER 208 N 2.53 1.98 -4.29 1.62 3.41 -1.16 -4.67 113.62 113.03 3mdz n SER 208 Ca 0.51 -1.90 -0.33 0.00 -0.26 0.00 0.00 58.87 56.89 3mdz n SER 208 Cb 0.30 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 64.07 3mdz n SER 208 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mdz s VAL 209 N -0.90 2.64 -0.40 -3.33 1.01 -0.65 -1.26 120.40 117.50 3mdz s VAL 209 Ca 0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 3mdz s VAL 209 Cb 0.01 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3mdz s VAL 209 CO 0.01 0.53 0.57 -0.89 0.00 0.00 0.00 175.10 175.33 3mdz s THR 210 N 0.54 4.93 -0.01 3.92 2.01 -0.17 0.24 115.64 127.10 3mdz s THR 210 Ca -0.11 0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 3mdz s THR 210 Cb -0.16 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 3mdz s THR 210 CO 0.04 -0.43 0.61 0.26 -0.69 0.00 0.00 174.62 174.41 3mdz s TRP 211 N 2.58 3.67 -0.28 4.92 0.52 -0.10 -1.97 118.94 128.28 3mdz s TRP 211 Ca 0.20 1.21 0.01 0.00 0.02 0.00 0.00 56.10 57.54 3mdz s TRP 211 Cb -0.15 -2.64 0.08 0.00 -1.15 0.00 0.00 33.47 29.61 3mdz s TRP 211 CO 0.16 0.31 0.01 0.42 0.02 0.00 0.00 176.95 177.87 3mdz s ILE 212 N -0.04 1.53 -0.27 2.03 1.01 0.04 -2.28 121.20 123.21 3mdz s ILE 212 Ca 0.32 -1.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.35 3mdz s ILE 212 Cb -0.18 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3mdz s ILE 212 CO 0.17 -0.37 0.12 -0.69 0.00 0.00 0.00 174.94 174.17 3mdz s VAL 213 N 1.34 4.64 0.22 2.92 1.01 0.37 -1.17 120.40 129.73 3mdz s VAL 213 Ca 0.02 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 3mdz s VAL 213 Cb -0.18 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 3mdz s VAL 213 CO -0.12 0.25 1.15 -0.76 0.00 0.00 0.00 175.10 175.62 3mdz s LEU 214 N 1.65 4.49 0.23 3.92 1.43 -0.29 -0.36 118.68 129.75 3mdz s LEU 214 Ca 0.06 2.24 -0.06 0.00 -1.03 0.00 0.00 54.13 55.34 3mdz s LEU 214 Cb -0.16 -3.62 0.22 0.00 0.03 0.00 0.00 46.19 42.67 3mdz s LEU 214 CO 0.06 -0.26 1.77 -0.09 0.23 0.00 0.00 176.35 178.06 3mdz h ARG 215 N 4.60 1.06 -5.63 1.70 2.43 -1.78 -3.43 114.38 113.34 3mdz h ARG 215 Ca -0.45 -0.22 -0.59 0.00 -0.81 0.00 0.00 59.98 57.91 3mdz h ARG 215 Cb 1.21 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.52 3mdz h ARG 215 CO 0.71 0.91 -0.25 -2.00 -1.51 0.00 0.00 179.97 177.83 3mdz s GLU 216 N -5.35 4.24 0.60 0.20 2.12 -1.26 -5.04 118.70 114.21 3mdz s GLU 216 Ca -0.11 0.24 -0.05 0.00 0.36 0.00 0.00 54.97 55.41 3mdz s GLU 216 Cb 0.15 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 31.16 3mdz s GLU 216 CO 0.83 0.26 0.89 -1.25 -0.54 0.00 0.00 175.26 175.45 3mdz s PRO 217 N 0.36 2.73 0.19 4.30 0.04 -1.26 -4.61 135.00 136.75 3mdz s PRO 217 Ca 0.20 -0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.10 3mdz s PRO 217 Cb -0.14 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3mdz s PRO 217 CO 0.07 -0.78 0.30 0.96 0.04 0.00 0.00 177.00 177.59 3mdz s ILE 218 N -2.98 5.19 -0.10 0.56 -4.36 -0.86 -4.80 121.20 113.84 3mdz s ILE 218 Ca 0.55 -0.88 -0.04 0.00 -0.26 0.00 0.00 60.65 60.02 3mdz s ILE 218 Cb -0.10 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.82 3mdz s ILE 218 CO 0.44 -0.21 0.07 0.00 0.24 0.00 0.00 174.94 175.48 3mdz s ILE 220 N -0.96 1.36 0.26 0.00 -4.36 -0.89 -4.43 121.20 112.17 3mdz s ILE 220 Ca 0.14 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.26 3mdz s ILE 220 Cb -0.12 -2.54 -0.09 0.00 1.25 0.00 0.00 42.46 40.96 3mdz s ILE 220 CO 0.03 -0.21 0.78 -0.94 0.24 0.00 0.00 174.94 174.85 3mdz s SER 221 N -3.43 7.11 0.43 4.36 1.04 -1.11 0.40 113.70 122.51 3mdz s SER 221 Ca 0.31 1.51 0.32 0.00 0.48 0.00 0.00 55.95 58.58 3mdz s SER 221 Cb 0.06 -2.46 1.47 0.00 0.10 0.00 0.00 66.02 65.19 3mdz s SER 221 CO 0.12 -0.01 1.54 -0.62 0.98 0.00 0.00 173.24 175.25 3mdz n GLU 222 N 0.60 -0.04 0.04 4.02 -0.58 -1.26 -0.35 120.64 123.07 3mdz n GLU 222 Ca -0.01 1.24 -0.13 0.00 -0.42 0.00 0.00 57.16 57.85 3mdz n GLU 222 Cb 0.51 -2.44 -0.08 0.00 -0.57 0.00 0.00 31.44 28.85 3mdz n GLU 222 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3mdz h ARG 223 N 0.00 -0.07 -0.67 3.49 2.43 -1.95 0.36 114.38 117.98 3mdz h ARG 223 Ca 0.87 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 60.02 3mdz h ARG 223 Cb 2.79 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 32.32 3mdz h ARG 223 CO -0.47 0.19 0.32 1.96 -1.51 0.00 0.00 179.97 180.46 3mdz h GLN 224 N -0.31 0.96 -0.78 0.20 4.20 -1.07 -2.67 115.11 115.64 3mdz h GLN 224 Ca -0.01 -0.14 0.10 0.00 0.06 0.00 0.00 58.65 58.66 3mdz h GLN 224 Cb 0.28 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 27.81 3mdz h GLN 224 CO 0.01 0.76 0.42 1.98 -0.67 0.00 0.00 178.83 181.33 3mdz h MET 225 N 0.92 0.68 0.00 1.46 4.05 -0.82 -2.26 114.93 118.96 3mdz h MET 225 Ca 0.23 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.59 3mdz h MET 225 Cb 0.12 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3mdz h MET 225 CO -0.03 0.45 -0.09 0.78 0.23 0.00 0.00 176.91 178.25 3mdz h GLY 226 N 0.70 0.00 1.48 1.39 0.00 -0.56 -2.50 103.07 103.58 3mdz h GLY 226 Ca 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.63 3mdz h GLY 226 CO -0.26 0.00 -0.14 0.50 0.00 0.00 0.00 176.54 176.64 3mdz h LYS 227 N 0.00 0.62 -0.82 4.80 1.79 -1.33 -1.93 116.57 119.70 3mdz h LYS 227 Ca -0.00 -0.20 0.06 0.00 -2.18 0.00 0.00 60.65 58.33 3mdz h LYS 227 Cb 0.16 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.69 3mdz h LYS 227 CO 0.01 0.73 0.50 0.74 -1.08 0.00 0.00 179.45 180.35 3mdz h PHE 228 N 0.56 0.92 0.00 -1.35 0.04 -1.48 -2.06 116.94 113.57 3mdz h PHE 228 Ca 0.10 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3mdz h PHE 228 Cb 0.56 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3mdz h PHE 228 CO 0.02 0.46 0.00 0.54 -0.60 0.00 0.00 178.31 178.73 3mdz n ARG 229 N -4.66 0.16 -0.29 1.51 1.74 -0.76 -2.21 116.66 112.15 3mdz n ARG 229 Ca 0.12 0.35 0.03 0.00 -0.77 0.00 0.00 57.85 57.58 3mdz n ARG 229 Cb 0.18 -1.78 0.15 0.00 -1.02 0.00 0.00 32.46 29.99 3mdz n ARG 229 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3mdz n SER 230 N -2.07 2.48 -4.91 0.55 3.41 -0.77 -4.33 113.62 107.97 3mdz n SER 230 Ca 0.03 -2.26 -0.28 0.00 -0.26 0.00 0.00 58.87 56.10 3mdz n SER 230 Cb 0.24 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 3mdz n SER 230 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mdz s LEU 231 N -1.04 4.08 -0.06 1.04 1.43 -0.94 -4.93 118.68 118.26 3mdz s LEU 231 Ca 0.20 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 3mdz s LEU 231 Cb 0.14 -3.45 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 3mdz s LEU 231 CO 0.08 -0.18 -0.14 -0.76 0.23 0.00 0.00 176.35 175.58 3mdz s LEU 232 N -3.59 2.72 0.63 1.79 1.43 0.58 0.78 118.68 123.03 3mdz s LEU 232 Ca 0.43 -0.21 0.42 0.00 -1.03 0.00 0.00 54.13 53.74 3mdz s LEU 232 Cb -0.11 -1.56 2.30 0.00 0.03 0.00 0.00 46.19 46.85 3mdz s LEU 232 CO 0.30 0.32 2.30 -0.26 0.23 0.00 0.00 176.35 179.25 3mdz h PHE 233 N 5.51 0.00 -2.24 0.29 0.04 -1.33 -3.29 116.94 115.92 3mdz h PHE 233 Ca -0.44 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.74 3mdz h PHE 233 Cb 1.16 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.18 3mdz h PHE 233 CO 0.50 0.00 -0.73 0.95 -0.60 0.00 0.00 178.31 178.43 3mdz s THR 234 N -4.08 2.79 0.86 -1.55 -4.23 -1.26 -4.61 115.64 103.57 3mdz s THR 234 Ca -0.05 -2.24 -0.08 0.00 -1.18 0.00 0.00 61.69 58.14 3mdz s THR 234 Cb 0.12 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.67 3mdz s THR 234 CO 0.39 -0.38 1.18 -0.94 -0.54 0.00 0.00 174.62 174.33 3mdz s SER 235 N -3.54 3.58 0.42 3.99 1.04 -1.26 -1.63 113.70 116.30 3mdz s SER 235 Ca 0.30 -0.15 0.11 0.00 0.48 0.00 0.00 55.95 56.70 3mdz s SER 235 Cb -0.06 0.01 0.89 0.00 0.10 0.00 0.00 66.02 66.96 3mdz s SER 235 CO 0.16 -2.40 1.98 -0.08 0.98 0.00 0.00 173.24 173.88 3mdz h GLU 236 N -1.15 0.20 -0.56 4.02 4.57 -1.93 -3.03 114.58 116.70 3mdz h GLU 236 Ca -0.39 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3mdz h GLU 236 Cb 1.24 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3mdz h GLU 236 CO 0.36 0.29 0.00 -0.25 -1.18 0.00 0.00 179.01 178.23 3mdz n ASP 237 N -4.34 5.31 -4.63 1.04 9.92 -1.26 -4.94 116.55 117.65 3mdz n ASP 237 Ca -0.01 -2.82 -0.29 0.00 -0.53 0.00 0.00 54.79 51.14 3mdz n ASP 237 Cb 0.22 -0.64 -0.09 0.00 -0.64 0.00 0.00 41.12 39.96 3mdz n ASP 237 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3mdz s ASP 238 N -0.94 3.78 0.47 -2.24 1.01 -1.15 -5.12 116.67 112.48 3mdz s ASP 238 Ca 0.52 -1.51 -0.24 0.00 0.71 0.00 0.00 52.55 52.04 3mdz s ASP 238 Cb 0.39 0.06 -0.07 0.00 1.01 0.00 0.00 42.92 44.31 3mdz s ASP 238 CO 0.17 -0.66 1.34 -1.83 0.21 0.00 0.00 175.17 174.40 3mdz s GLU 239 N -3.79 3.59 -0.22 8.23 1.03 -1.26 -4.86 118.70 121.41 3mdz s GLU 239 Ca 0.23 2.21 -0.25 0.00 0.03 0.00 0.00 54.97 57.18 3mdz s GLU 239 Cb 0.06 -2.52 -0.01 0.00 -0.80 0.00 0.00 34.13 30.86 3mdz s GLU 239 CO 0.11 -0.82 0.85 1.03 -1.33 0.00 0.00 175.26 175.10 3mdz s ARG 240 N -2.58 4.22 -0.19 -4.83 0.52 -1.26 -4.82 118.95 110.02 3mdz s ARG 240 Ca 0.64 1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 56.83 3mdz s ARG 240 Cb -0.39 -3.63 0.05 0.00 0.52 0.00 0.00 34.95 31.50 3mdz s ARG 240 CO 0.49 -0.48 0.00 0.42 0.02 0.00 0.00 175.30 175.75 3mdz s ILE 241 N 2.71 0.77 0.55 1.52 1.01 -1.26 -5.08 121.20 121.42 3mdz s ILE 241 Ca 0.36 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 60.19 3mdz s ILE 241 Cb -0.16 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 3mdz s ILE 241 CO 0.08 -0.10 1.16 -1.00 0.00 0.00 0.00 174.94 175.09 3mdz s HIS 242 N 1.76 2.60 -0.44 3.97 3.76 -1.26 -1.07 115.29 124.61 3mdz s HIS 242 Ca -0.01 1.53 -0.25 0.00 -0.15 0.00 0.00 55.06 56.18 3mdz s HIS 242 Cb -0.17 -3.37 0.02 0.00 1.11 0.00 0.00 32.58 30.18 3mdz s HIS 242 CO -0.07 -1.78 0.92 1.41 -0.85 0.00 0.00 174.74 174.36 3mdz s MET 243 N -3.23 3.61 0.14 1.40 1.75 0.23 -4.53 119.30 118.68 3mdz s MET 243 Ca 0.73 0.26 -0.18 0.00 -1.25 0.00 0.00 55.69 55.24 3mdz s MET 243 Cb -0.27 -3.89 0.05 0.00 2.84 0.00 0.00 34.83 33.56 3mdz s MET 243 CO 0.30 -1.14 0.48 0.14 -0.65 0.00 0.00 175.02 174.14 3mdz s VAL 244 N 3.66 0.04 -1.45 10.11 -7.23 -1.26 -4.50 120.40 119.77 3mdz s VAL 244 Ca 0.37 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 3mdz s VAL 244 Cb -0.11 -1.15 0.08 0.00 0.56 0.00 0.00 36.38 35.76 3mdz s VAL 244 CO 0.24 -0.19 0.70 0.59 -0.31 0.00 0.00 175.10 176.13 3mdz n ASN 245 N -0.29 -4.33 -3.51 4.85 3.02 0.05 -4.86 115.26 110.19 3mdz n ASN 245 Ca -0.16 -0.58 -0.40 0.00 -0.03 0.00 0.00 54.58 53.41 3mdz n ASN 245 Cb 0.64 -3.52 -0.00 0.00 -0.61 0.00 0.00 39.78 36.29 3mdz n ASN 245 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3mdz n ASN 246 N -2.54 7.83 -3.99 6.41 6.94 -1.17 -4.90 115.26 123.84 3mdz n ASN 246 Ca 0.01 -3.13 -0.09 0.00 -0.02 0.00 0.00 54.58 51.35 3mdz n ASN 246 Cb 0.54 -1.37 -0.11 0.00 -2.36 0.00 0.00 39.78 36.48 3mdz n ASN 246 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3mdz s PHE 247 N -0.98 0.28 -0.17 -2.53 -0.12 -1.26 -4.47 117.98 108.72 3mdz s PHE 247 Ca 0.53 -0.59 -0.13 0.00 -0.05 0.00 0.00 56.93 56.69 3mdz s PHE 247 Cb 0.18 -0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 3mdz s PHE 247 CO -0.09 -0.23 0.27 0.50 -0.05 0.00 0.00 175.22 175.62 3mdz s ARG 248 N -1.89 4.23 1.04 1.99 3.52 -1.26 -4.94 118.95 121.64 3mdz s ARG 248 Ca -0.12 0.04 -0.11 0.00 -0.13 0.00 0.00 55.73 55.41 3mdz s ARG 248 Cb -0.07 -3.44 0.21 0.00 -1.56 0.00 0.00 34.95 30.09 3mdz s ARG 248 CO -0.02 0.21 1.06 -0.35 -0.81 0.00 0.00 175.30 175.39 3mdz n PRO 249 N 3.68 -1.40 -1.46 5.12 -0.04 -1.26 -4.62 135.00 135.02 3mdz n PRO 249 Ca -0.12 -0.36 -0.36 0.00 -0.04 0.00 0.00 63.50 62.62 3mdz n PRO 249 Cb 0.52 -2.26 0.08 0.00 -0.04 0.00 0.00 33.50 31.80 3mdz n PRO 249 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3mdz n PRO 250 N -4.51 0.69 -4.46 0.54 -0.02 -1.26 -4.33 135.00 121.65 3mdz n PRO 250 Ca 0.08 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.61 3mdz n PRO 250 Cb 0.53 -2.34 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 3mdz n PRO 250 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3mdz s GLN 251 N -3.38 1.79 0.56 -0.52 -1.52 0.13 -4.92 119.66 111.80 3mdz s GLN 251 Ca 0.77 -1.77 -0.21 0.00 -1.95 0.00 0.00 55.36 52.20 3mdz s GLN 251 Cb -0.36 -1.80 -0.04 0.00 -0.22 0.00 0.00 33.01 30.59 3mdz s GLN 251 CO 0.47 0.29 1.32 -2.14 -0.25 0.00 0.00 175.29 174.98 3mdz s PRO 252 N -3.55 3.08 0.29 2.91 0.02 -1.26 -4.57 135.00 131.91 3mdz s PRO 252 Ca 0.31 2.15 0.16 0.00 0.02 0.00 0.00 61.00 63.64 3mdz s PRO 252 Cb -0.04 -2.18 0.09 0.00 0.02 0.00 0.00 34.50 32.40 3mdz s PRO 252 CO 0.16 -1.21 1.44 1.25 -0.33 0.00 0.00 177.00 178.31 3mdz h LEU 253 N 1.31 0.00 -2.16 -5.54 5.85 -1.92 -3.43 115.31 109.42 3mdz h LEU 253 Ca -0.51 0.00 -0.43 0.00 0.84 0.00 0.00 57.88 57.78 3mdz h LEU 253 Cb 1.30 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.19 3mdz h LEU 253 CO 0.57 0.43 -0.68 0.29 -0.34 0.00 0.00 178.44 178.71 3mdz n LYS 254 N -3.19 -0.93 -0.78 1.25 5.02 -1.26 -1.94 118.16 116.33 3mdz n LYS 254 Ca 0.02 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3mdz n LYS 254 Cb 0.71 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 3mdz n LYS 254 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mdz n GLY 255 N -2.10 0.77 3.74 0.72 0.00 -1.26 -5.02 105.19 102.05 3mdz n GLY 255 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3mdz n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mdz s ARG 256 N -0.22 2.33 -0.22 1.61 0.52 -0.82 -5.02 118.95 117.13 3mdz s ARG 256 Ca 0.00 1.51 -0.10 0.00 -0.52 0.00 0.00 55.73 56.62 3mdz s ARG 256 Cb 0.00 -1.88 -0.05 0.00 0.52 0.00 0.00 34.95 33.54 3mdz s ARG 256 CO 0.00 -1.64 0.13 0.08 0.02 0.00 0.00 175.30 173.89 3mdz s VAL 257 N -2.31 5.20 -0.33 3.52 1.01 -1.26 -5.06 120.40 121.18 3mdz s VAL 257 Ca 0.69 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.63 3mdz s VAL 257 Cb -0.23 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 3mdz s VAL 257 CO 0.46 0.38 0.41 -0.69 0.00 0.00 0.00 175.10 175.66 3mdz s VAL 258 N 0.88 5.13 0.21 2.92 1.01 -1.26 -4.60 120.40 124.68 3mdz s VAL 258 Ca 0.07 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 3mdz s VAL 258 Cb -0.13 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3mdz s VAL 258 CO 0.03 -0.06 0.55 -0.54 0.00 0.00 0.00 175.10 175.07 3mdz s LYS 259 N 2.14 3.83 0.01 2.72 1.02 -0.16 -0.38 119.74 128.93 3mdz s LYS 259 Ca 0.15 0.32 0.07 0.00 0.02 0.00 0.00 55.97 56.52 3mdz s LYS 259 Cb -0.16 -2.70 -0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3mdz s LYS 259 CO 0.12 0.35 -0.21 0.00 -0.92 0.00 0.00 175.35 174.68 3mdz s ALA 260 N -1.75 1.78 -1.13 5.17 0.00 0.01 -1.26 121.76 124.59 3mdz s ALA 260 Ca 0.45 -0.99 0.17 0.00 0.00 0.00 0.00 51.96 51.60 3mdz s ALA 260 Cb -0.12 -0.41 0.71 0.00 0.00 0.00 0.00 23.12 23.30 3mdz s ALA 260 CO 0.21 0.42 1.61 -1.13 0.00 0.00 0.00 175.76 176.87 3mdz n SER 261 N 2.23 4.68 0.00 0.00 3.41 -0.73 -1.48 113.62 121.74 3mdz n SER 261 Ca -0.16 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 3mdz n SER 261 Cb 0.53 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 3mdz n SER 261 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10