#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mlz s VAL 2 N 0.00 4.29 -0.02 1.69 1.01 -1.26 -4.53 120.40 121.58 3mlz s VAL 2 Ca 0.00 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.64 3mlz s VAL 2 Cb 0.00 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3mlz s VAL 2 CO 0.00 0.09 -0.11 -1.10 0.00 0.00 0.00 175.10 173.98 3mlz s GLN 3 N 1.40 1.03 0.20 2.72 -0.21 0.62 -4.97 119.66 120.45 3mlz s GLN 3 Ca 0.56 -0.37 0.08 0.00 0.02 0.00 0.00 55.36 55.65 3mlz s GLN 3 Cb -0.26 -0.96 -0.04 0.00 1.00 0.00 0.00 33.01 32.75 3mlz s GLN 3 CO 0.27 0.17 0.01 -0.51 -2.12 0.00 0.00 175.29 173.11 3mlz s LEU 4 N 0.01 3.30 -0.15 2.90 1.43 -1.26 -0.84 118.68 124.07 3mlz s LEU 4 Ca -0.00 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3mlz s LEU 4 Cb -0.07 -1.92 0.07 0.00 0.03 0.00 0.00 46.19 44.30 3mlz s LEU 4 CO 0.00 0.06 0.31 -1.58 0.23 0.00 0.00 176.35 175.37 3mlz s GLN 5 N -3.18 0.21 0.16 1.70 2.00 -0.10 -4.34 119.66 116.12 3mlz s GLN 5 Ca 0.29 0.81 -0.24 0.00 -2.00 0.00 0.00 55.36 54.21 3mlz s GLN 5 Cb -0.08 0.06 -0.08 0.00 0.80 0.00 0.00 33.01 33.70 3mlz s GLN 5 CO 0.19 -0.26 0.74 -1.21 -0.50 0.00 0.00 175.29 174.26 3mlz s GLU 6 N 2.29 4.50 0.02 1.67 8.01 -1.26 -0.45 118.70 133.48 3mlz s GLU 6 Ca -0.01 1.08 -0.08 0.00 0.01 0.00 0.00 54.97 55.97 3mlz s GLU 6 Cb -0.12 -3.23 0.00 0.00 -4.31 0.00 0.00 34.13 26.47 3mlz s GLU 6 CO -0.10 0.57 0.16 -1.54 0.01 0.00 0.00 175.26 174.36 3mlz s SER 7 N -1.17 0.05 0.00 -0.19 1.04 0.57 -4.91 113.70 109.09 3mlz s SER 7 Ca 0.35 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.45 3mlz s SER 7 Cb -0.22 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3mlz s SER 7 CO 0.25 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3mlz n GLY 8 N 1.00 2.79 3.26 7.32 0.00 -1.26 -1.05 105.19 117.24 3mlz n GLY 8 Ca -0.20 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 3mlz n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mlz n PRO 9 N -1.60 0.10 -0.01 1.61 -0.04 -1.26 -4.96 135.00 128.84 3mlz n PRO 9 Ca 0.00 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 3mlz n PRO 9 Cb 0.00 -1.31 -0.13 0.00 -0.04 0.00 0.00 33.50 32.03 3mlz n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mlz n GLY 10 N 2.44 -0.76 2.86 0.55 0.00 -1.26 -4.84 105.19 104.18 3mlz n GLY 10 Ca 0.06 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 3mlz n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mlz s LEU 11 N -3.80 1.59 -0.09 0.99 1.98 -1.26 -1.33 118.68 116.76 3mlz s LEU 11 Ca -0.03 -0.03 -0.04 0.00 -2.89 0.00 0.00 54.13 51.14 3mlz s LEU 11 Cb 0.12 -0.17 0.04 0.00 0.66 0.00 0.00 46.19 46.84 3mlz s LEU 11 CO 0.73 -0.03 0.20 -0.69 -1.89 0.00 0.00 176.35 174.67 3mlz s VAL 12 N 0.48 -0.04 0.08 1.68 1.01 0.53 -4.95 120.40 119.18 3mlz s VAL 12 Ca -0.05 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3mlz s VAL 12 Cb -0.07 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 3mlz s VAL 12 CO -0.01 0.06 1.15 -0.54 0.00 0.00 0.00 175.10 175.76 3mlz s LYS 13 N 1.20 4.48 0.55 2.72 -0.14 -1.25 -0.70 119.74 126.60 3mlz s LYS 13 Ca -0.09 1.71 -0.18 0.00 -1.36 0.00 0.00 55.97 56.05 3mlz s LYS 13 Cb -0.11 -3.35 -0.10 0.00 -1.68 0.00 0.00 37.83 32.60 3mlz s LYS 13 CO -0.07 -0.16 0.42 -0.35 -0.76 0.00 0.00 175.35 174.43 3mlz n PRO 14 N 3.58 0.43 0.00 -1.68 -0.04 -1.26 -1.70 135.00 134.33 3mlz n PRO 14 Ca 0.07 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3mlz n PRO 14 Cb 0.47 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3mlz n PRO 14 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mlz n SER 15 N 0.84 0.00 -4.10 3.54 3.41 0.54 -4.86 113.62 112.99 3mlz n SER 15 Ca 0.11 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 3mlz n SER 15 Cb 0.47 -0.04 0.23 0.00 -0.26 0.00 0.00 64.21 64.61 3mlz n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3mlz s GLU 16 N 0.00 -0.96 -0.09 4.33 2.02 -0.69 -3.62 118.70 119.69 3mlz s GLU 16 Ca 0.00 0.21 -0.20 0.00 0.02 0.00 0.00 54.97 55.00 3mlz s GLU 16 Cb 0.00 -1.60 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 3mlz s GLU 16 CO 0.00 -3.59 0.58 0.99 0.02 0.00 0.00 175.26 173.25 3mlz s THR 17 N -2.85 5.11 -0.04 3.63 2.01 -1.26 -2.50 115.64 119.74 3mlz s THR 17 Ca 0.69 1.17 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 3mlz s THR 17 Cb -0.14 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 3mlz s THR 17 CO 0.58 0.30 0.94 -0.22 -0.69 0.00 0.00 174.62 175.53 3mlz s LEU 18 N 0.63 4.32 0.02 4.42 0.20 0.37 -4.92 118.68 123.73 3mlz s LEU 18 Ca 0.31 1.54 0.05 0.00 0.69 0.00 0.00 54.13 56.72 3mlz s LEU 18 Cb -0.16 -3.49 -0.02 0.00 -0.43 0.00 0.00 46.19 42.09 3mlz s LEU 18 CO 0.14 -0.30 -0.16 -0.44 -0.29 0.00 0.00 176.35 175.30 3mlz s SER 19 N 1.01 1.89 0.02 3.68 0.01 -1.26 -0.83 113.70 118.22 3mlz s SER 19 Ca 0.48 -0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.19 3mlz s SER 19 Cb -0.20 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 65.89 3mlz s SER 19 CO 0.23 0.11 0.30 -0.76 0.41 0.00 0.00 173.24 173.54 3mlz s LEU 20 N -0.89 0.90 -0.04 2.44 1.43 -1.06 -4.22 118.68 117.24 3mlz s LEU 20 Ca 0.04 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3mlz s LEU 20 Cb -0.07 1.29 0.01 0.00 0.03 0.00 0.00 46.19 47.45 3mlz s LEU 20 CO 0.01 -0.54 -0.08 -0.89 0.23 0.00 0.00 176.35 175.08 3mlz s THR 21 N -2.00 0.74 -0.15 5.49 2.01 -0.22 -0.43 115.64 121.09 3mlz s THR 21 Ca -0.09 -0.29 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 3mlz s THR 21 Cb -0.03 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 3mlz s THR 21 CO 0.00 0.25 0.27 0.00 -0.69 0.00 0.00 174.62 174.45 3mlz s THR 23 N 0.19 2.94 -0.01 0.00 2.01 0.40 -1.37 115.64 119.80 3mlz s THR 23 Ca 0.16 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3mlz s THR 23 Cb -0.13 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3mlz s THR 23 CO 0.04 0.49 0.05 -0.69 -0.69 0.00 0.00 174.62 173.82 3mlz s VAL 24 N 0.90 4.50 0.02 3.82 1.01 -1.01 -0.92 120.40 128.71 3mlz s VAL 24 Ca -0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 3mlz s VAL 24 Cb -0.15 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.23 3mlz s VAL 24 CO -0.01 0.37 0.38 -0.94 0.00 0.00 0.00 175.10 174.91 3mlz s SER 25 N -1.63 -0.26 0.00 3.32 1.04 -0.02 -4.87 113.70 111.29 3mlz s SER 25 Ca 0.21 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.69 3mlz s SER 25 Cb -0.12 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3mlz s SER 25 CO 0.12 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.36 3mlz n GLY 26 N 0.78 2.50 3.58 7.32 0.00 -1.26 -0.27 105.19 117.84 3mlz n GLY 26 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 3mlz n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mlz s GLY 27 N -1.94 0.25 0.31 -0.02 0.00 -1.26 -4.63 107.32 100.04 3mlz s GLY 27 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 44.72 43.96 3mlz s GLY 27 CO 0.00 -0.47 0.74 -0.45 0.00 0.00 0.00 173.10 172.92 3mlz s SER 28 N -2.96 6.81 0.41 1.64 0.15 -1.26 -4.97 113.70 113.53 3mlz s SER 28 Ca 0.16 1.30 0.07 0.00 0.70 0.00 0.00 55.95 58.19 3mlz s SER 28 Cb -0.01 -2.38 0.85 0.00 -1.71 0.00 0.00 66.02 62.77 3mlz s SER 28 CO 0.04 -0.18 2.04 0.40 1.20 0.00 0.00 173.24 176.75 3mlz h ILE 29 N 2.07 1.11 -2.03 6.45 1.08 -1.92 -3.46 117.51 120.82 3mlz h ILE 29 Ca -0.48 -0.27 -0.62 0.00 -0.39 0.00 0.00 64.86 63.10 3mlz h ILE 29 Cb 1.18 0.60 0.04 0.00 -3.07 0.00 0.00 36.82 35.56 3mlz h ILE 29 CO 0.65 0.12 0.85 -1.20 -0.69 0.00 0.00 178.15 177.88 3mlz n SER 30 N -4.45 2.91 0.00 1.72 7.64 -1.26 -2.51 113.62 117.67 3mlz n SER 30 Ca 0.02 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.96 3mlz n SER 30 Cb 0.09 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 3mlz n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlz n GLY 31 N 3.68 0.74 3.36 0.23 0.00 -1.26 -5.05 105.19 106.89 3mlz n GLY 31 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3mlz n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mlz s PHE 32 N -2.27 1.93 0.09 1.61 0.40 -1.04 -5.01 117.98 113.70 3mlz s PHE 32 Ca 0.00 -0.45 -0.08 0.00 -0.60 0.00 0.00 56.93 55.80 3mlz s PHE 32 Cb 0.00 -0.94 -0.06 0.00 0.51 0.00 0.00 43.02 42.53 3mlz s PHE 32 CO 0.00 0.40 0.38 -1.01 0.70 0.00 0.00 175.22 175.69 3mlz s HIS 33 N -2.12 3.55 0.04 0.36 3.76 -1.26 -1.84 115.29 117.79 3mlz s HIS 33 Ca 0.19 0.70 0.02 0.00 -0.15 0.00 0.00 55.06 55.82 3mlz s HIS 33 Cb -0.06 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 3mlz s HIS 33 CO 0.08 0.50 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.81 3mlz s TRP 34 N -1.47 0.72 0.06 1.40 0.52 0.10 -2.32 118.94 117.95 3mlz s TRP 34 Ca 0.35 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 56.00 3mlz s TRP 34 Cb -0.13 -0.43 -0.03 0.00 -1.15 0.00 0.00 33.47 31.73 3mlz s TRP 34 CO 0.20 -0.07 -0.06 -1.12 0.02 0.00 0.00 176.95 175.92 3mlz s SER 35 N -1.54 0.82 -0.12 2.95 0.01 0.76 0.01 113.70 116.60 3mlz s SER 35 Ca -0.09 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.43 3mlz s SER 35 Cb -0.10 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 3mlz s SER 35 CO 0.01 -0.32 0.04 0.26 0.41 0.00 0.00 173.24 173.64 3mlz s TRP 36 N -2.22 3.26 -0.04 2.43 0.52 -1.21 0.05 118.94 121.74 3mlz s TRP 36 Ca -0.03 0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.29 3mlz s TRP 36 Cb -0.04 -1.89 0.03 0.00 -1.15 0.00 0.00 33.47 30.41 3mlz s TRP 36 CO -0.02 0.42 -0.00 0.42 0.02 0.00 0.00 176.95 177.79 3mlz s ILE 37 N -0.56 0.23 0.34 2.03 1.01 -0.08 -1.33 121.20 122.84 3mlz s ILE 37 Ca 0.10 0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.90 3mlz s ILE 37 Cb -0.12 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 3mlz s ILE 37 CO 0.02 0.17 0.21 0.00 0.00 0.00 0.00 174.94 175.34 3mlz s ARG 38 N 1.12 2.50 -0.21 2.79 1.70 -0.51 0.13 118.95 126.46 3mlz s ARG 38 Ca -0.08 -1.47 -0.04 0.00 -0.47 0.00 0.00 55.73 53.67 3mlz s ARG 38 Cb -0.13 -2.28 0.10 0.00 -0.57 0.00 0.00 34.95 32.06 3mlz s ARG 38 CO -0.02 0.08 0.24 -1.14 -1.08 0.00 0.00 175.30 173.39 3mlz s GLN 39 N -3.91 0.22 0.39 3.89 0.74 0.48 -2.20 119.66 119.27 3mlz s GLN 39 Ca 0.39 0.20 -0.26 0.00 0.05 0.00 0.00 55.36 55.74 3mlz s GLN 39 Cb -0.03 -1.10 -0.09 0.00 1.10 0.00 0.00 33.01 32.89 3mlz s GLN 39 CO 0.24 -0.69 1.29 -2.14 -0.55 0.00 0.00 175.29 173.45 3mlz s PRO 40 N 2.35 4.04 0.22 1.67 0.02 -1.26 -0.54 135.00 141.50 3mlz s PRO 40 Ca 0.08 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 62.93 3mlz s PRO 40 Cb -0.16 -2.80 -0.10 0.00 0.02 0.00 0.00 34.50 31.46 3mlz s PRO 40 CO -0.14 -0.43 1.53 -2.14 -0.33 0.00 0.00 177.00 175.49 3mlz s PRO 41 N -2.17 4.21 0.00 5.54 0.02 -1.26 -0.89 135.00 140.45 3mlz s PRO 41 Ca 0.56 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3mlz s PRO 41 Cb -0.38 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3mlz s PRO 41 CO 0.49 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 3mlz n GLY 42 N 2.84 2.95 3.99 0.52 0.00 -1.26 -4.97 105.19 109.26 3mlz n GLY 42 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3mlz n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mlz n LYS 43 N -2.00 -0.26 -0.40 1.61 4.76 -0.07 -5.13 118.16 116.67 3mlz n LYS 43 Ca 0.00 -2.72 0.00 0.00 -2.87 0.00 0.00 58.31 52.72 3mlz n LYS 43 Cb 0.00 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 3mlz n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3mlz n GLY 44 N -2.99 1.27 3.79 0.72 0.00 -1.26 -4.72 105.19 102.00 3mlz n GLY 44 Ca 0.17 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 3mlz n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlz s LEU 45 N 0.00 4.18 -0.09 0.99 1.43 -1.26 -4.22 118.68 119.70 3mlz s LEU 45 Ca 0.00 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3mlz s LEU 45 Cb 0.00 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3mlz s LEU 45 CO 0.00 0.32 -0.17 -0.70 0.23 0.00 0.00 176.35 176.03 3mlz s GLU 46 N -0.48 2.29 0.04 1.70 2.12 -0.93 -5.01 118.70 118.43 3mlz s GLU 46 Ca 0.11 -0.61 -0.25 0.00 0.36 0.00 0.00 54.97 54.59 3mlz s GLU 46 Cb -0.12 -1.83 -0.05 0.00 0.26 0.00 0.00 34.13 32.39 3mlz s GLU 46 CO 0.02 0.05 0.75 -0.47 -0.54 0.00 0.00 175.26 175.07 3mlz s TYR 47 N 0.64 3.73 -0.15 5.30 5.04 -1.26 -1.43 117.35 129.22 3mlz s TYR 47 Ca -0.14 1.45 -0.06 0.00 -2.44 0.00 0.00 57.07 55.88 3mlz s TYR 47 Cb -0.16 -2.81 -0.24 0.00 0.35 0.00 0.00 41.96 39.10 3mlz s TYR 47 CO 0.04 0.27 0.23 -0.89 -1.34 0.00 0.00 175.55 173.87 3mlz n ILE 48 N 2.82 1.71 -0.62 3.14 5.41 -0.44 -4.72 119.36 126.66 3mlz n ILE 48 Ca -0.03 -0.60 0.00 0.00 1.00 0.00 0.00 62.75 63.13 3mlz n ILE 48 Cb 0.50 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 3mlz n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3mlz n GLY 49 N 2.00 -2.50 3.08 7.39 0.00 -1.23 -1.29 105.19 112.64 3mlz n GLY 49 Ca -0.35 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 3mlz n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mlz s TYR 50 N -2.16 0.58 -0.03 1.61 -0.85 0.16 -3.34 117.35 113.32 3mlz s TYR 50 Ca 0.00 -0.78 0.04 0.00 -0.52 0.00 0.00 57.07 55.82 3mlz s TYR 50 Cb 0.00 -0.38 -0.01 0.00 0.38 0.00 0.00 41.96 41.96 3mlz s TYR 50 CO 0.00 -0.21 -0.16 -1.50 -1.52 0.00 0.00 175.55 172.15 3mlz s ILE 51 N -2.70 1.34 0.23 -3.49 2.07 0.10 -1.44 121.20 117.30 3mlz s ILE 51 Ca -0.01 -0.69 -0.17 0.00 -1.41 0.00 0.00 60.65 58.37 3mlz s ILE 51 Cb -0.01 -1.14 -0.08 0.00 0.13 0.00 0.00 42.46 41.36 3mlz s ILE 51 CO -0.04 0.39 0.68 -0.47 -1.91 0.00 0.00 174.94 173.58 3mlz s TYR 52 N -0.11 3.57 0.44 3.50 5.04 0.25 0.01 117.35 130.06 3mlz s TYR 52 Ca 0.00 1.26 0.26 0.00 -2.44 0.00 0.00 57.07 56.15 3mlz s TYR 52 Cb -0.09 -2.53 1.29 0.00 0.35 0.00 0.00 41.96 40.97 3mlz s TYR 52 CO 0.01 0.30 1.74 0.10 -1.34 0.00 0.00 175.55 176.37 3mlz h TYR 53 N 3.17 0.46 -0.00 4.97 -0.00 -1.64 0.81 116.97 124.74 3mlz h TYR 53 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.27 3mlz h TYR 53 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.79 3mlz h TYR 53 CO 0.63 -0.01 -0.01 -1.13 -0.00 0.00 0.00 178.16 177.65 3mlz n SER 54 N -4.52 0.09 0.00 0.10 3.41 -1.26 -4.88 113.62 106.56 3mlz n SER 54 Ca 0.28 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3mlz n SER 54 Cb 1.10 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 3mlz n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mlz n GLY 55 N 1.13 2.78 3.74 5.00 0.00 0.28 -5.10 105.19 113.01 3mlz n GLY 55 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3mlz n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mlz s SER 56 N -1.50 4.76 0.31 1.61 1.04 -1.24 -4.65 113.70 114.03 3mlz s SER 56 Ca 0.00 2.57 0.03 0.00 0.48 0.00 0.00 55.95 59.03 3mlz s SER 56 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 3mlz s SER 56 CO 0.00 -1.90 0.11 0.42 0.98 0.00 0.00 173.24 172.85 3mlz s THR 57 N -1.44 0.65 -0.30 2.02 -4.23 -1.26 0.85 115.64 111.93 3mlz s THR 57 Ca 0.81 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 3mlz s THR 57 Cb -0.36 -2.59 0.13 0.00 1.34 0.00 0.00 72.50 71.02 3mlz s THR 57 CO 0.38 0.00 0.68 -0.55 -0.54 0.00 0.00 174.62 174.59 3mlz s SER 58 N -3.42 -1.10 -0.11 3.99 0.15 -0.52 -4.98 113.70 107.70 3mlz s SER 58 Ca 0.35 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.49 3mlz s SER 58 Cb 0.06 2.25 -0.02 0.00 -1.71 0.00 0.00 66.02 66.60 3mlz s SER 58 CO 0.15 -0.21 -0.12 -0.31 1.20 0.00 0.00 173.24 173.95 3mlz s TYR 59 N 2.86 2.82 -0.28 3.44 4.12 -1.26 -0.66 117.35 128.39 3mlz s TYR 59 Ca -0.05 -0.48 -0.43 0.00 0.02 0.00 0.00 57.07 56.13 3mlz s TYR 59 Cb -0.12 -1.81 -0.18 0.00 -1.52 0.00 0.00 41.96 38.33 3mlz s TYR 59 CO -0.19 -0.09 1.51 -1.71 0.02 0.00 0.00 175.55 175.09 3mlz n ASN 60 N 3.23 1.36 0.29 2.29 4.05 -0.41 -4.62 115.26 121.46 3mlz n ASN 60 Ca -0.18 1.14 0.19 0.00 0.45 0.00 0.00 54.58 56.18 3mlz n ASN 60 Cb 0.53 -1.00 0.99 0.00 1.23 0.00 0.00 39.78 41.53 3mlz n ASN 60 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3mlz h PRO 61 N 5.19 0.00 -0.02 1.20 0.11 -1.95 0.25 132.00 136.78 3mlz h PRO 61 Ca -0.46 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 3mlz h PRO 61 Cb 1.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 3mlz h PRO 61 CO 0.89 0.00 -0.83 0.66 -0.21 0.00 0.00 178.00 178.51 3mlz h SER 62 N 0.00 0.33 0.00 -2.05 4.64 -1.97 -3.33 113.55 111.16 3mlz h SER 62 Ca 0.02 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3mlz h SER 62 Cb 0.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3mlz h SER 62 CO -0.00 1.02 -1.72 0.18 -0.87 0.00 0.00 176.83 175.44 3mlz n LEU 63 N -3.73 0.25 -0.19 5.97 4.77 -0.11 -4.70 117.00 119.27 3mlz n LEU 63 Ca -0.04 -0.13 0.11 0.00 -0.03 0.00 0.00 56.01 55.92 3mlz n LEU 63 Cb 0.77 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 42.06 3mlz n LEU 63 CO 0.48 0.06 0.48 1.17 -1.33 0.00 0.00 177.39 178.25 3mlz n LYS 64 N -2.05 -0.04 0.00 3.23 0.00 -0.15 0.87 118.16 120.02 3mlz n LYS 64 Ca -0.02 0.82 0.08 0.00 0.00 0.00 0.00 58.31 59.19 3mlz n LYS 64 Cb 0.50 -1.34 0.40 0.00 0.00 0.00 0.00 35.03 34.59 3mlz n LYS 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3mlz n SER 65 N -4.58 0.00 0.00 3.14 3.41 -1.26 -3.18 113.62 111.15 3mlz n SER 65 Ca 0.15 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3mlz n SER 65 Cb 0.50 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3mlz n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3mlz n ARG 66 N -1.40 4.33 -4.17 4.33 1.74 0.25 -5.08 116.66 116.67 3mlz n ARG 66 Ca 0.06 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 3mlz n ARG 66 Cb 0.17 -0.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.92 3mlz n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mlz s VAL 67 N -1.18 3.82 -0.21 1.55 0.11 -0.94 -4.31 120.40 119.25 3mlz s VAL 67 Ca 0.00 -1.18 -0.11 0.00 -2.93 0.00 0.00 61.98 57.77 3mlz s VAL 67 Cb 0.00 -2.85 0.07 0.00 -1.53 0.00 0.00 36.38 32.07 3mlz s VAL 67 CO 0.00 0.04 0.50 -0.55 -3.33 0.00 0.00 175.10 171.76 3mlz s SER 68 N -2.51 -0.62 0.13 3.54 0.15 -0.74 -4.89 113.70 108.77 3mlz s SER 68 Ca 0.26 1.11 0.06 0.00 0.70 0.00 0.00 55.95 58.08 3mlz s SER 68 Cb -0.11 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.28 3mlz s SER 68 CO 0.18 -0.21 -0.15 -0.04 1.20 0.00 0.00 173.24 174.21 3mlz s MET 69 N 1.76 1.09 0.03 5.44 -1.94 -1.26 0.07 119.30 124.48 3mlz s MET 69 Ca -0.08 -1.29 -0.14 0.00 -1.71 0.00 0.00 55.69 52.47 3mlz s MET 69 Cb -0.08 -1.00 0.02 0.00 2.01 0.00 0.00 34.83 35.78 3mlz s MET 69 CO -0.15 0.19 0.31 -1.54 -0.01 0.00 0.00 175.02 173.83 3mlz s SER 70 N -2.53 -0.15 -0.03 3.03 1.04 -1.11 -5.00 113.70 108.94 3mlz s SER 70 Ca 0.11 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.48 3mlz s SER 70 Cb -0.05 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 3mlz s SER 70 CO 0.04 -0.57 -0.14 0.54 0.98 0.00 0.00 173.24 174.09 3mlz s VAL 71 N -2.17 1.17 -0.49 5.02 0.11 -1.26 -2.01 120.40 120.78 3mlz s VAL 71 Ca -0.08 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.44 3mlz s VAL 71 Cb -0.02 -1.01 0.13 0.00 -1.53 0.00 0.00 36.38 33.94 3mlz s VAL 71 CO -0.01 0.34 0.22 -0.62 -3.33 0.00 0.00 175.10 171.71 3mlz s ASP 72 N 0.07 4.36 0.24 3.54 3.68 0.19 -4.97 116.67 123.78 3mlz s ASP 72 Ca -0.03 -2.85 -0.06 0.00 2.13 0.00 0.00 52.55 51.74 3mlz s ASP 72 Cb -0.10 -1.61 0.42 0.00 -1.45 0.00 0.00 42.92 40.18 3mlz s ASP 72 CO 0.01 -0.26 1.71 0.71 0.13 0.00 0.00 175.17 177.48 3mlz h THR 73 N 5.67 0.61 -0.05 1.71 1.35 -1.90 0.04 112.91 120.34 3mlz h THR 73 Ca -0.07 -0.12 -0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3mlz h THR 73 Cb 0.91 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 3mlz h THR 73 CO 0.65 0.06 0.02 0.77 -0.25 0.00 0.00 175.52 176.78 3mlz h SER 74 N 0.35 0.06 0.84 5.36 4.64 -1.93 -2.28 113.55 120.60 3mlz h SER 74 Ca 0.39 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3mlz h SER 74 Cb 0.61 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3mlz h SER 74 CO -0.43 0.19 0.00 0.54 -0.87 0.00 0.00 176.83 176.26 3mlz n ARG 75 N -4.98 0.14 -3.42 4.77 1.74 -1.03 -4.89 116.66 108.99 3mlz n ARG 75 Ca -0.07 0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.85 3mlz n ARG 75 Cb 0.10 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.13 3mlz n ARG 75 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3mlz n ASN 76 N -1.43 -2.30 -4.00 0.55 5.15 -0.12 -4.85 115.26 108.25 3mlz n ASN 76 Ca 0.09 -0.61 -0.12 0.00 -0.60 0.00 0.00 54.58 53.35 3mlz n ASN 76 Cb 0.30 -5.05 -0.12 0.00 -0.53 0.00 0.00 39.78 34.38 3mlz n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3mlz s GLN 77 N -5.40 0.39 0.27 1.20 -0.21 -0.47 -2.41 119.66 113.02 3mlz s GLN 77 Ca 0.04 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 54.85 3mlz s GLN 77 Cb -0.02 -0.13 -0.05 0.00 1.00 0.00 0.00 33.01 33.82 3mlz s GLN 77 CO 0.72 0.01 0.10 -0.59 -2.12 0.00 0.00 175.29 173.41 3mlz s PHE 78 N -1.16 1.58 0.11 0.91 -0.12 -0.47 0.56 117.98 119.38 3mlz s PHE 78 Ca -0.10 -1.18 -0.21 0.00 -0.05 0.00 0.00 56.93 55.38 3mlz s PHE 78 Cb -0.08 -0.93 0.05 0.00 -0.63 0.00 0.00 43.02 41.43 3mlz s PHE 78 CO -0.00 -0.33 0.52 -1.54 -0.05 0.00 0.00 175.22 173.82 3mlz s SER 79 N -3.34 -0.44 0.15 1.98 1.04 -0.85 0.16 113.70 112.41 3mlz s SER 79 Ca 0.37 -0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.88 3mlz s SER 79 Cb 0.08 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3mlz s SER 79 CO 0.14 -0.85 -0.19 -0.22 0.98 0.00 0.00 173.24 173.11 3mlz s LEU 80 N -2.46 2.40 -0.30 2.42 2.96 0.43 -2.75 118.68 121.37 3mlz s LEU 80 Ca -0.01 -0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 53.06 3mlz s LEU 80 Cb -0.00 -0.84 0.10 0.00 0.50 0.00 0.00 46.19 45.95 3mlz s LEU 80 CO -0.08 -0.01 0.11 -1.61 -1.32 0.00 0.00 176.35 173.44 3mlz s GLU 81 N -2.57 0.46 0.52 1.98 0.41 0.11 -2.57 118.70 117.05 3mlz s GLU 81 Ca 0.13 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 53.92 3mlz s GLU 81 Cb -0.07 -1.59 0.04 0.00 -1.78 0.00 0.00 34.13 30.73 3mlz s GLU 81 CO 0.06 -1.00 0.73 -1.17 -0.49 0.00 0.00 175.26 173.38 3mlz s LEU 82 N 1.84 3.36 0.00 1.80 0.20 -0.01 -1.78 118.68 124.09 3mlz s LEU 82 Ca 0.09 -0.28 0.00 0.00 0.69 0.00 0.00 54.13 54.64 3mlz s LEU 82 Cb -0.17 -2.58 0.00 0.00 -0.43 0.00 0.00 46.19 43.01 3mlz s LEU 82 CO -0.31 -1.10 0.00 -1.20 -0.29 0.00 0.00 176.35 173.45 3mlz n SER 82 N -2.21 0.00 -4.85 3.68 7.64 -1.04 0.14 113.62 116.98 3mlz n SER 82 Ca 0.09 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.66 3mlz n SER 82 Cb 0.60 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 3mlz n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3mlz s VAL 82 N -0.31 4.58 0.31 0.44 -7.23 -1.06 -4.62 120.40 112.52 3mlz s VAL 82 Ca 0.00 1.09 0.04 0.00 -1.81 0.00 0.00 61.98 61.30 3mlz s VAL 82 Cb 0.00 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 3mlz s VAL 82 CO 0.00 -0.60 0.15 0.35 -0.31 0.00 0.00 175.10 174.69 3mlz n THR 83 N -1.39 0.00 -0.34 5.32 -2.24 -1.26 -0.34 114.28 114.03 3mlz n THR 83 Ca 0.06 -1.95 0.13 0.00 -2.27 0.00 0.00 64.05 60.02 3mlz n THR 83 Cb 0.54 0.78 0.26 0.00 -2.10 0.00 0.00 70.33 69.81 3mlz n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mlz n ALA 84 N -1.34 0.45 0.11 6.98 0.00 -1.26 -0.80 120.51 124.65 3mlz n ALA 84 Ca -0.12 1.04 0.07 0.00 0.00 0.00 0.00 53.44 54.43 3mlz n ALA 84 Cb 0.50 -0.74 0.40 0.00 0.00 0.00 0.00 19.45 19.61 3mlz n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mlz n ALA 85 N -3.25 1.01 1.36 0.00 0.00 -1.26 -2.10 120.51 116.27 3mlz n ALA 85 Ca 0.22 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.93 3mlz n ALA 85 Cb 0.70 -1.20 0.41 0.00 0.00 0.00 0.00 19.45 19.37 3mlz n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mlz n ASP 86 N -2.01 1.83 -4.63 0.00 8.00 0.02 -4.83 116.55 114.93 3mlz n ASP 86 Ca -0.01 -1.58 -0.43 0.00 0.71 0.00 0.00 54.79 53.48 3mlz n ASP 86 Cb 0.03 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 3mlz n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mlz s THR 87 N -2.03 3.43 0.13 -3.53 2.01 -0.89 -4.87 115.64 109.89 3mlz s THR 87 Ca 0.35 0.48 -0.24 0.00 0.31 0.00 0.00 61.69 62.59 3mlz s THR 87 Cb 0.21 -3.44 0.07 0.00 0.01 0.00 0.00 72.50 69.35 3mlz s THR 87 CO 0.34 -0.18 0.63 0.00 -0.69 0.00 0.00 174.62 174.72 3mlz s ALA 88 N 5.66 -1.63 0.09 7.40 0.00 -0.66 -4.31 121.76 128.31 3mlz s ALA 88 Ca 0.80 0.59 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 3mlz s ALA 88 Cb -0.30 0.79 -0.07 0.00 0.00 0.00 0.00 23.12 23.53 3mlz s ALA 88 CO 0.33 -0.73 1.37 0.08 0.00 0.00 0.00 175.76 176.80 3mlz s VAL 89 N -3.51 3.48 -0.24 0.00 1.01 0.30 0.26 120.40 121.69 3mlz s VAL 89 Ca 0.00 1.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.95 3mlz s VAL 89 Cb -0.01 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3mlz s VAL 89 CO -0.11 0.07 0.04 -0.31 0.00 0.00 0.00 175.10 174.79 3mlz s TYR 90 N 1.33 3.06 0.06 5.22 1.51 0.28 0.18 117.35 128.98 3mlz s TYR 90 Ca 0.64 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3mlz s TYR 90 Cb -0.35 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 3mlz s TYR 90 CO 0.29 -0.39 0.10 0.71 -1.11 0.00 0.00 175.55 175.16 3mlz s TYR 91 N 1.54 3.26 0.21 2.71 2.02 0.12 -0.97 117.35 126.24 3mlz s TYR 91 Ca 0.06 0.13 0.08 0.00 -0.37 0.00 0.00 57.07 56.97 3mlz s TYR 91 Cb -0.15 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 3mlz s TYR 91 CO 0.02 0.54 0.03 0.00 -1.57 0.00 0.00 175.55 174.57 3mlz s ALA 93 N -1.95 -1.31 0.01 0.00 0.00 0.11 -1.13 121.76 117.49 3mlz s ALA 93 Ca 0.29 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 3mlz s ALA 93 Cb -0.08 0.28 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 3mlz s ALA 93 CO 0.20 -0.45 0.41 0.50 0.00 0.00 0.00 175.76 176.42 3mlz s ARG 94 N -2.09 3.89 0.36 0.00 3.52 0.44 -0.17 118.95 124.90 3mlz s ARG 94 Ca -0.07 0.38 0.07 0.00 -0.13 0.00 0.00 55.73 55.98 3mlz s ARG 94 Cb -0.01 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 3mlz s ARG 94 CO 0.01 0.67 0.37 -0.51 -0.81 0.00 0.00 175.30 175.03 3mlz s ASP 95 N -1.19 5.41 0.28 -2.12 -0.00 -0.98 -1.84 116.67 116.23 3mlz s ASP 95 Ca 0.25 -0.48 -0.17 0.00 -0.00 0.00 0.00 52.55 52.16 3mlz s ASP 95 Cb -0.16 -0.91 0.02 0.00 -0.00 0.00 0.00 42.92 41.86 3mlz s ASP 95 CO 0.14 -0.47 0.64 0.72 -0.00 0.00 0.00 175.17 176.20 3mlz s PHE 96 N -2.32 0.08 -5.00 4.23 -0.12 -1.26 -4.68 117.98 108.91 3mlz s PHE 96 Ca 0.45 -0.53 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 3mlz s PHE 96 Cb -0.06 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 3mlz s PHE 96 CO 0.28 -1.19 0.00 0.41 -0.05 0.00 0.00 175.22 174.67 3mlz n GLY 97 N -0.45 -0.17 3.81 1.99 0.00 -1.26 -1.92 105.19 107.19 3mlz n GLY 97 Ca -0.03 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 3mlz n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mlz s GLU 98 N -2.00 3.79 -0.10 1.61 2.12 -0.65 -4.92 118.70 118.55 3mlz s GLU 98 Ca 0.00 -0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.20 3mlz s GLU 98 Cb 0.00 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3mlz s GLU 98 CO 0.00 0.57 0.04 -0.47 -0.54 0.00 0.00 175.26 174.86 3mlz s TYR 99 N -0.45 3.28 -0.05 5.30 5.04 -1.26 0.65 117.35 129.87 3mlz s TYR 99 Ca 0.14 0.26 0.06 0.00 -2.44 0.00 0.00 57.07 55.09 3mlz s TYR 99 Cb -0.12 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 3mlz s TYR 99 CO 0.03 0.51 -0.23 -1.01 -1.34 0.00 0.00 175.55 173.51 3mlz s HIS 100 N -0.81 2.22 -1.42 4.97 3.76 0.20 -4.98 115.29 119.23 3mlz s HIS 100 Ca 0.13 -0.61 0.30 0.00 -0.15 0.00 0.00 55.06 54.72 3mlz s HIS 100 Cb -0.12 -1.46 1.51 0.00 1.11 0.00 0.00 32.58 33.63 3mlz s HIS 100 CO 0.03 -0.17 2.05 0.66 -0.85 0.00 0.00 174.74 176.45 3mlz n TYR 100 N 2.91 0.00 -0.14 1.40 4.02 -1.26 -2.30 117.16 121.79 3mlz n TYR 100 Ca -0.17 0.00 0.28 0.00 -0.01 0.00 0.00 57.90 57.99 3mlz n TYR 100 Cb 0.52 -0.29 0.72 0.00 -0.02 0.00 0.00 39.34 40.27 3mlz n TYR 100 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3mlz h ASP 100 N 0.00 0.00 0.00 7.72 3.32 -1.94 -3.46 116.42 122.06 3mlz h ASP 100 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mlz h ASP 100 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3mlz h ASP 100 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3mlz n GLY 100 N -1.67 2.55 0.02 2.75 0.00 -1.26 -4.96 105.19 102.62 3mlz n GLY 100 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3mlz n GLY 100 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3mlz n ARG 100 N -0.70 0.05 0.00 1.61 1.85 -1.26 -4.98 116.66 113.23 3mlz n ARG 100 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 3mlz n ARG 100 Cb 0.00 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 3mlz n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3mlz n GLY 100 N 1.47 3.04 3.66 2.89 0.00 -0.97 -4.57 105.19 110.70 3mlz n GLY 100 Ca 0.06 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3mlz n GLY 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mlz s PHE 100 N 0.00 3.36 -0.39 1.61 5.36 -1.26 -0.63 117.98 126.03 3mlz s PHE 100 Ca 0.00 1.40 -0.15 0.00 -0.96 0.00 0.00 56.93 57.22 3mlz s PHE 100 Cb 0.00 -3.20 0.01 0.00 -0.34 0.00 0.00 43.02 39.49 3mlz s PHE 100 CO 0.00 -0.42 0.30 -0.65 -1.46 0.00 0.00 175.22 172.99 3mlz s GLN 100 N 2.93 3.18 -0.21 10.12 -0.21 0.21 -4.99 119.66 130.69 3mlz s GLN 100 Ca 0.42 -0.85 -0.25 0.00 0.02 0.00 0.00 55.36 54.70 3mlz s GLN 100 Cb -0.15 -3.92 -0.01 0.00 1.00 0.00 0.00 33.01 29.93 3mlz s GLN 100 CO 0.08 -0.65 0.84 0.00 -2.12 0.00 0.00 175.29 173.43 3mlz n GLU 100 N 5.63 0.30 0.00 0.00 1.02 -0.92 -4.99 120.64 121.67 3mlz n GLU 100 Ca 0.05 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 3mlz n GLU 100 Cb 0.48 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 3mlz n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mlz n GLY 100 N -0.16 0.41 2.71 0.62 0.00 -0.81 -4.96 105.19 103.01 3mlz n GLY 100 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3mlz n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mlz n PHE 100 N 0.00 -3.97 0.37 1.61 3.72 -1.19 -4.77 117.46 113.23 3mlz n PHE 100 Ca 0.00 1.93 0.06 0.00 -0.05 0.00 0.00 57.45 59.39 3mlz n PHE 100 Cb 0.00 -3.87 -0.09 0.00 -0.94 0.00 0.00 39.48 34.59 3mlz n PHE 100 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3mlz n ASP 101 N 1.02 1.12 -3.91 4.37 5.75 -0.77 -4.97 116.55 119.17 3mlz n ASP 101 Ca -0.11 -0.49 -0.21 0.00 -0.01 0.00 0.00 54.79 53.96 3mlz n ASP 101 Cb 0.19 1.24 -0.16 0.00 -1.03 0.00 0.00 41.12 41.36 3mlz n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3mlz s LEU 102 N -3.14 1.33 0.02 -2.12 1.02 -1.23 -4.99 118.68 109.56 3mlz s LEU 102 Ca 0.01 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 54.03 3mlz s LEU 102 Cb 0.09 -0.53 -0.02 0.00 0.02 0.00 0.00 46.19 45.75 3mlz s LEU 102 CO 0.55 -0.05 -0.11 0.26 0.02 0.00 0.00 176.35 177.02 3mlz s TRP 103 N 0.98 0.98 1.27 0.29 0.52 -1.26 -0.42 118.94 121.30 3mlz s TRP 103 Ca -0.10 -0.29 -0.21 0.00 0.02 0.00 0.00 56.10 55.52 3mlz s TRP 103 Cb -0.14 -0.60 0.32 0.00 -1.15 0.00 0.00 33.47 31.89 3mlz s TRP 103 CO -0.00 -0.00 1.09 0.20 0.02 0.00 0.00 176.95 178.26 3mlz s GLY 104 N -0.83 1.56 0.30 0.98 0.00 -0.28 -4.63 107.32 104.42 3mlz s GLY 104 Ca 0.01 -1.05 0.25 0.00 0.00 0.00 0.00 44.72 43.93 3mlz s GLY 104 CO 0.00 -0.09 1.72 1.46 0.00 0.00 0.00 173.10 176.19 3mlz h GLN 105 N -2.82 0.00 0.00 2.90 4.20 -1.91 -3.45 115.11 114.03 3mlz h GLN 105 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3mlz h GLN 105 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3mlz h GLN 105 CO 0.28 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.85 3mlz n GLY 106 N 1.17 -1.18 3.05 3.46 0.00 -1.26 -4.99 105.19 105.43 3mlz n GLY 106 Ca 0.05 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.44 3mlz n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mlz s THR 107 N -3.16 0.88 0.05 2.61 -1.32 -0.14 -4.89 115.64 109.68 3mlz s THR 107 Ca 0.00 -0.46 -0.27 0.00 -1.21 0.00 0.00 61.69 59.75 3mlz s THR 107 Cb 0.00 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.19 3mlz s THR 107 CO 0.00 0.25 0.84 -0.22 -2.21 0.00 0.00 174.62 173.29 3mlz s LEU 108 N -0.15 4.45 -0.08 9.08 1.98 -1.26 0.99 118.68 133.68 3mlz s LEU 108 Ca 0.02 1.56 0.02 0.00 -2.89 0.00 0.00 54.13 52.84 3mlz s LEU 108 Cb -0.05 -3.37 0.01 0.00 0.66 0.00 0.00 46.19 43.44 3mlz s LEU 108 CO -0.00 -0.04 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.59 3mlz s VAL 109 N 0.11 1.30 -0.19 1.68 1.01 0.14 -4.64 120.40 119.81 3mlz s VAL 109 Ca 0.42 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3mlz s VAL 109 Cb -0.21 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3mlz s VAL 109 CO 0.25 0.40 0.00 -0.89 0.00 0.00 0.00 175.10 174.86 3mlz s THR 110 N 0.80 4.03 -0.29 3.92 2.01 -0.44 -1.65 115.64 124.03 3mlz s THR 110 Ca -0.11 -0.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 3mlz s THR 110 Cb -0.16 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3mlz s THR 110 CO 0.02 0.44 0.18 -0.69 -0.69 0.00 0.00 174.62 173.88 3mlz s VAL 111 N 0.84 5.17 -0.24 3.82 1.01 -1.26 -0.34 120.40 129.40 3mlz s VAL 111 Ca 0.01 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 3mlz s VAL 111 Cb -0.14 -3.49 0.11 0.00 0.00 0.00 0.00 36.38 32.86 3mlz s VAL 111 CO 0.02 0.22 0.96 -0.55 0.00 0.00 0.00 175.10 175.75 3mlz s SER 112 N 1.73 -0.48 -0.10 3.32 0.15 0.12 -4.69 113.70 113.76 3mlz s SER 112 Ca 0.07 0.83 0.18 0.00 0.70 0.00 0.00 55.95 57.73 3mlz s SER 112 Cb -0.16 0.80 -0.25 0.00 -1.71 0.00 0.00 66.02 64.70 3mlz s SER 112 CO 0.10 -0.23 0.36 -1.54 1.20 0.00 0.00 173.24 173.12 3mlz n SER 113 N 1.86 0.23 -4.38 5.45 3.41 -1.26 -3.91 113.62 115.02 3mlz n SER 113 Ca -0.13 0.10 -0.45 0.00 -0.26 0.00 0.00 58.87 58.14 3mlz n SER 113 Cb 0.56 1.01 -0.01 0.00 -0.26 0.00 0.00 64.21 65.50 3mlz n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mlz n ALA 114 N -2.55 -2.60 -3.14 7.33 0.00 -1.26 -4.95 120.51 113.34 3mlz n ALA 114 Ca -0.20 0.28 -0.23 0.00 0.00 0.00 0.00 53.44 53.29 3mlz n ALA 114 Cb 0.95 -1.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3mlz n ALA 114 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mlz n SER 115 N 1.99 2.13 -2.52 0.00 3.41 -1.26 -4.98 113.62 112.39 3mlz n SER 115 Ca 0.14 -3.21 -0.14 0.00 -0.26 0.00 0.00 58.87 55.40 3mlz n SER 115 Cb 0.33 -0.61 0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3mlz n SER 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3mlz n THR 116 N 0.37 -2.39 -2.48 6.66 -1.04 -1.08 -5.01 114.28 109.32 3mlz n THR 116 Ca 0.27 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.05 61.84 3mlz n THR 116 Cb 0.53 -3.35 -0.03 0.00 -1.82 0.00 0.00 70.33 65.66 3mlz n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3mlz s LYS 117 N -5.63 4.02 0.47 -2.82 2.20 -1.02 -4.80 119.74 112.16 3mlz s LYS 117 Ca 0.29 1.55 -0.06 0.00 -0.36 0.00 0.00 55.97 57.39 3mlz s LYS 117 Cb -0.13 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 3mlz s LYS 117 CO 0.47 -0.28 0.79 0.20 -0.36 0.00 0.00 175.35 176.17 3mlz s GLY 118 N -1.58 1.59 0.69 5.54 0.00 -1.26 -2.74 107.32 109.57 3mlz s GLY 118 Ca 0.60 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.78 3mlz s GLY 118 CO 0.28 -0.26 1.08 2.56 0.00 0.00 0.00 173.10 176.76 3mlz s PRO 119 N -4.57 2.97 -0.23 2.90 0.04 -1.26 -4.70 135.00 130.15 3mlz s PRO 119 Ca 0.48 0.54 -0.06 0.00 0.04 0.00 0.00 61.00 62.01 3mlz s PRO 119 Cb -0.10 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3mlz s PRO 119 CO 0.42 -0.98 0.03 -1.12 0.04 0.00 0.00 177.00 175.40 3mlz s SER 120 N -4.28 4.91 -0.25 6.66 0.01 -0.74 -4.94 113.70 115.07 3mlz s SER 120 Ca 0.58 -0.23 -0.13 0.00 1.31 0.00 0.00 55.95 57.48 3mlz s SER 120 Cb -0.11 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 3mlz s SER 120 CO 0.52 0.01 0.28 -0.69 0.41 0.00 0.00 173.24 173.77 3mlz s VAL 121 N 1.35 5.26 0.06 3.43 1.01 -1.26 -3.24 120.40 127.01 3mlz s VAL 121 Ca 0.05 0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.52 3mlz s VAL 121 Cb -0.15 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3mlz s VAL 121 CO 0.02 0.25 -0.22 -0.36 0.00 0.00 0.00 175.10 174.78 3mlz s PHE 122 N 1.55 1.95 0.31 5.22 0.08 -0.92 -4.96 117.98 121.20 3mlz s PHE 122 Ca 0.12 -0.39 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 3mlz s PHE 122 Cb -0.15 -1.14 -0.09 0.00 -0.57 0.00 0.00 43.02 41.06 3mlz s PHE 122 CO 0.08 0.13 1.11 -1.25 -0.10 0.00 0.00 175.22 175.19 3mlz s PRO 123 N -1.35 4.51 -0.67 0.24 0.04 -1.26 -0.08 135.00 136.43 3mlz s PRO 123 Ca 0.09 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 3mlz s PRO 123 Cb -0.09 -3.05 0.15 0.00 0.04 0.00 0.00 34.50 31.55 3mlz s PRO 123 CO 0.02 0.10 0.68 -0.51 0.04 0.00 0.00 177.00 177.33 3mlz s LEU 124 N -1.72 6.09 -0.26 -3.56 1.43 -0.62 -4.78 118.68 115.26 3mlz s LEU 124 Ca 0.48 -2.01 -0.23 0.00 -1.03 0.00 0.00 54.13 51.34 3mlz s LEU 124 Cb -0.31 -2.25 -0.10 0.00 0.03 0.00 0.00 46.19 43.57 3mlz s LEU 124 CO 0.40 -0.85 1.04 0.00 0.23 0.00 0.00 176.35 177.17 3mlz n ALA 125 N 5.21 -0.07 -1.71 4.21 0.00 -1.26 -3.63 120.51 123.26 3mlz n ALA 125 Ca -0.01 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 3mlz n ALA 125 Cb 0.43 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 3mlz n ALA 125 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3mlz s PRO 126 N 2.75 4.14 0.00 0.00 0.02 -1.26 -4.77 135.00 135.88 3mlz s PRO 126 Ca 0.60 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.21 3mlz s PRO 126 Cb -0.78 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 29.90 3mlz s PRO 126 CO 0.36 -0.89 0.00 0.45 -0.33 0.00 0.00 177.00 176.59 3mlz n SER 127 N 6.50 0.00 -1.78 2.53 2.88 -0.82 -4.37 113.62 118.56 3mlz n SER 127 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 3mlz n SER 127 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 3mlz n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3mlz n SER 128 N 0.00 -9.41 -2.02 -3.46 3.41 -1.26 -4.98 113.62 95.90 3mlz n SER 128 Ca 0.00 1.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.98 3mlz n SER 128 Cb 0.00 -5.32 0.00 0.00 -0.26 0.00 0.00 64.21 58.63 3mlz n SER 128 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3mlz n LYS 129 N -0.55 -1.48 -0.08 4.33 2.85 -1.26 -5.02 118.16 116.96 3mlz n LYS 129 Ca 0.00 1.06 0.00 0.00 -1.05 0.00 0.00 58.31 58.32 3mlz n LYS 129 Cb 0.00 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 3mlz n LYS 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3mlz n SER 130 N 1.90 -0.37 -3.53 -5.58 2.88 -1.26 -5.09 113.62 102.56 3mlz n SER 130 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 3mlz n SER 130 Cb 0.00 -0.13 -0.12 0.00 -0.75 0.00 0.00 64.21 63.21 3mlz n SER 130 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3mlz s THR 131 N -0.03 0.59 -0.04 2.46 -1.32 -1.26 -5.07 115.64 110.96 3mlz s THR 131 Ca 0.00 -2.14 -0.01 0.00 -1.21 0.00 0.00 61.69 58.33 3mlz s THR 131 Cb 0.00 -1.42 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 3mlz s THR 131 CO 0.00 -1.00 0.05 -0.94 -2.21 0.00 0.00 174.62 170.52 3mlz s SER 132 N 0.67 5.54 0.00 8.08 1.04 -1.26 -4.29 113.70 123.48 3mlz s SER 132 Ca 0.20 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.80 3mlz s SER 132 Cb -0.19 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.34 3mlz s SER 132 CO -0.03 0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.13 3mlz n GLY 133 N 1.62 2.36 0.00 7.32 0.00 -1.26 -4.59 105.19 110.64 3mlz n GLY 133 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3mlz n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mlz n GLY 134 N 0.00 1.15 3.53 -0.02 0.00 -1.26 -5.13 105.19 103.46 3mlz n GLY 134 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3mlz n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mlz s THR 135 N -1.76 1.97 0.32 2.61 -4.23 -1.26 -3.41 115.64 109.88 3mlz s THR 135 Ca 0.00 -2.12 0.06 0.00 -1.18 0.00 0.00 61.69 58.44 3mlz s THR 135 Cb 0.00 -2.70 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 3mlz s THR 135 CO 0.00 -0.16 0.00 0.00 -0.54 0.00 0.00 174.62 173.92 3mlz s ALA 136 N -2.78 2.49 0.02 3.99 0.00 0.12 -4.78 121.76 120.82 3mlz s ALA 136 Ca 0.33 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 50.26 3mlz s ALA 136 Cb 0.05 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3mlz s ALA 136 CO 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 175.76 175.70 3mlz s ALA 137 N -3.08 0.26 0.30 0.00 0.00 -1.26 -0.29 121.76 117.69 3mlz s ALA 137 Ca 0.33 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 3mlz s ALA 137 Cb 0.07 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3mlz s ALA 137 CO 0.14 -0.08 0.48 -0.48 0.00 0.00 0.00 175.76 175.82 3mlz s LEU 138 N -1.23 0.68 0.00 0.00 0.05 -1.19 -1.95 118.68 115.04 3mlz s LEU 138 Ca -0.11 -1.24 0.00 0.00 0.05 0.00 0.00 54.13 52.82 3mlz s LEU 138 Cb -0.08 1.63 0.00 0.00 -2.05 0.00 0.00 46.19 45.69 3mlz s LEU 138 CO -0.00 -1.25 0.00 0.61 -0.55 0.00 0.00 176.35 175.16 3mlz n GLY 139 N -0.48 1.75 3.42 -3.48 0.00 -1.24 -2.09 105.19 103.07 3mlz n GLY 139 Ca -0.01 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 3mlz n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlz s LEU 141 N -2.73 4.77 -0.21 0.00 2.96 0.89 -3.19 118.68 121.17 3mlz s LEU 141 Ca 0.21 -2.28 -0.18 0.00 -0.22 0.00 0.00 54.13 51.65 3mlz s LEU 141 Cb -0.07 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3mlz s LEU 141 CO 0.10 -0.38 0.52 0.54 -1.32 0.00 0.00 176.35 175.81 3mlz s VAL 142 N 0.74 5.10 -0.03 1.68 0.11 -0.93 -2.17 120.40 124.89 3mlz s VAL 142 Ca 0.12 0.95 -0.02 0.00 -2.93 0.00 0.00 61.98 60.09 3mlz s VAL 142 Cb -0.20 -3.84 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 3mlz s VAL 142 CO -0.06 0.16 0.08 -0.75 -3.33 0.00 0.00 175.10 171.20 3mlz s LYS 143 N 1.74 0.07 -0.41 1.54 2.20 -1.20 -1.15 119.74 122.53 3mlz s LYS 143 Ca 0.24 0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 55.85 3mlz s LYS 143 Cb -0.15 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.16 3mlz s LYS 143 CO 0.09 -0.05 0.57 -0.25 -0.36 0.00 0.00 175.35 175.35 3mlz n ASP 144 N 3.36 -7.67 -3.84 1.43 8.00 0.10 -1.79 116.55 116.15 3mlz n ASP 144 Ca -0.16 0.51 -0.09 0.00 0.71 0.00 0.00 54.79 55.75 3mlz n ASP 144 Cb 0.57 -5.19 -0.06 0.00 -0.02 0.00 0.00 41.12 36.42 3mlz n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mlz s TYR 145 N -2.53 0.14 -0.30 1.24 -0.85 -1.15 -4.02 117.35 109.89 3mlz s TYR 145 Ca 0.24 -0.52 -0.16 0.00 -0.52 0.00 0.00 57.07 56.11 3mlz s TYR 145 Cb -0.07 0.06 0.18 0.00 0.38 0.00 0.00 41.96 42.52 3mlz s TYR 145 CO 0.73 -0.69 1.15 0.12 -1.52 0.00 0.00 175.55 175.34 3mlz s PHE 146 N -3.89 -0.28 0.60 -3.49 2.19 -1.11 -1.21 117.98 110.79 3mlz s PHE 146 Ca 0.10 0.55 -0.01 0.00 0.33 0.00 0.00 56.93 57.90 3mlz s PHE 146 Cb 0.03 0.17 0.05 0.00 -1.31 0.00 0.00 43.02 41.96 3mlz s PHE 146 CO -0.06 -0.14 0.85 -1.25 1.83 0.00 0.00 175.22 176.45 3mlz s PRO 147 N 1.36 2.39 0.77 10.12 0.04 -1.26 -2.43 135.00 145.99 3mlz s PRO 147 Ca -0.07 -0.69 -0.11 0.00 0.04 0.00 0.00 61.00 60.17 3mlz s PRO 147 Cb -0.03 -2.40 0.06 0.00 0.04 0.00 0.00 34.50 32.16 3mlz s PRO 147 CO -0.13 -0.89 1.08 -1.83 0.04 0.00 0.00 177.00 175.28 3mlz s GLU 148 N -4.90 2.27 0.00 4.56 -1.05 -1.26 -4.84 118.70 113.48 3mlz s GLU 148 Ca 0.59 0.99 0.00 0.00 -0.15 0.00 0.00 54.97 56.40 3mlz s GLU 148 Cb -0.10 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 3mlz s GLU 148 CO 0.40 -1.58 0.00 -0.35 0.95 0.00 0.00 175.26 174.68 3mlz n PRO 149 N -3.46 2.35 -3.78 -4.83 -0.04 -1.26 -5.02 135.00 118.96 3mlz n PRO 149 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 3mlz n PRO 149 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 3mlz n PRO 149 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3mlz s VAL 150 N 1.37 0.07 -0.15 0.52 1.01 -1.26 -4.71 120.40 117.24 3mlz s VAL 150 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3mlz s VAL 150 Cb 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 3mlz s VAL 150 CO 0.00 -0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 173.78 3mlz s THR 151 N -1.59 3.02 -0.31 3.92 2.01 -1.13 -4.97 115.64 116.60 3mlz s THR 151 Ca -0.12 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.15 3mlz s THR 151 Cb -0.05 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.18 3mlz s THR 151 CO 0.02 0.50 0.11 -0.69 -0.69 0.00 0.00 174.62 173.87 3mlz s VAL 152 N 0.70 4.08 0.69 3.82 1.01 -1.26 -1.77 120.40 127.66 3mlz s VAL 152 Ca -0.06 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3mlz s VAL 152 Cb -0.15 -3.16 0.12 0.00 0.00 0.00 0.00 36.38 33.19 3mlz s VAL 152 CO 0.02 -0.00 0.94 -0.55 0.00 0.00 0.00 175.10 175.51 3mlz s SER 153 N 1.50 4.52 -0.04 3.32 0.15 -0.92 -4.91 113.70 117.31 3mlz s SER 153 Ca 0.02 -0.52 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 3mlz s SER 153 Cb -0.18 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.26 3mlz s SER 153 CO 0.03 -1.75 0.14 0.26 1.20 0.00 0.00 173.24 173.13 3mlz s TRP 154 N -3.02 -0.11 -1.46 3.44 0.52 -1.26 -2.44 118.94 114.60 3mlz s TRP 154 Ca 0.65 0.28 -0.14 0.00 0.02 0.00 0.00 56.10 56.91 3mlz s TRP 154 Cb -0.05 0.03 0.11 0.00 -1.15 0.00 0.00 33.47 32.41 3mlz s TRP 154 CO 0.43 -0.11 0.65 0.09 0.02 0.00 0.00 176.95 178.03 3mlz n ASN 155 N 2.71 -3.56 0.00 2.95 3.02 -0.09 0.65 115.26 120.93 3mlz n ASN 155 Ca -0.14 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3mlz n ASN 155 Cb 0.58 -2.93 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 3mlz n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mlz n SER 156 N -2.47 0.00 0.00 6.41 7.64 -1.26 -2.32 113.62 121.62 3mlz n SER 156 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3mlz n SER 156 Cb 0.51 -1.96 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 3mlz n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mlz n GLY 157 N -2.00 -0.25 0.11 0.23 0.00 0.21 -5.04 105.19 98.45 3mlz n GLY 157 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3mlz n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mlz h ALA 158 N 0.00 0.43 -2.99 4.61 0.00 -1.08 -3.41 119.26 116.82 3mlz h ALA 158 Ca 0.00 -0.79 -0.70 0.00 0.00 0.00 0.00 54.91 53.42 3mlz h ALA 158 Cb 0.00 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.39 3mlz h ALA 158 CO 0.00 0.99 -0.51 -1.17 0.00 0.00 0.00 179.25 178.56 3mlz s LEU 159 N -7.23 5.21 -0.56 0.00 2.96 -1.23 -4.99 118.68 112.84 3mlz s LEU 159 Ca -0.02 -1.83 0.05 0.00 -0.22 0.00 0.00 54.13 52.11 3mlz s LEU 159 Cb 0.10 -1.89 0.19 0.00 0.50 0.00 0.00 46.19 45.08 3mlz s LEU 159 CO 0.83 -0.55 0.48 0.41 -1.32 0.00 0.00 176.35 176.20 3mlz n THR 160 N 4.73 0.50 -3.65 3.68 -1.04 -1.26 -4.51 114.28 112.74 3mlz n THR 160 Ca -0.06 -4.33 -0.01 0.00 -2.04 0.00 0.00 64.05 57.61 3mlz n THR 160 Cb 0.42 -1.97 -0.06 0.00 -1.82 0.00 0.00 70.33 66.90 3mlz n THR 160 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3mlz s SER 161 N -1.05 -0.33 -1.43 8.00 1.04 -1.26 -4.91 113.70 113.77 3mlz s SER 161 Ca 0.31 0.53 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 3mlz s SER 161 Cb 0.03 1.06 0.01 0.00 0.10 0.00 0.00 66.02 67.22 3mlz s SER 161 CO -0.15 -0.09 0.77 0.61 0.98 0.00 0.00 173.24 175.36 3mlz n GLY 162 N 3.28 -0.47 3.08 7.32 0.00 -1.26 -4.80 105.19 112.33 3mlz n GLY 162 Ca -0.17 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3mlz n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mlz s VAL 163 N -3.21 2.09 -0.26 1.61 1.01 -1.26 -1.57 120.40 118.81 3mlz s VAL 163 Ca 0.38 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3mlz s VAL 163 Cb -0.17 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.12 3mlz s VAL 163 CO 0.47 0.14 -0.02 -2.28 0.00 0.00 0.00 175.10 173.41 3mlz s HIS 164 N 1.18 3.08 -0.35 5.22 2.46 0.38 -4.97 115.29 122.29 3mlz s HIS 164 Ca -0.04 -1.32 -0.22 0.00 0.47 0.00 0.00 55.06 53.95 3mlz s HIS 164 Cb -0.18 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.16 3mlz s HIS 164 CO -0.07 -0.66 0.71 0.99 -2.47 0.00 0.00 174.74 173.23 3mlz s THR 165 N 1.39 4.82 0.73 0.89 2.01 -1.26 -1.38 115.64 122.83 3mlz s THR 165 Ca 0.02 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 3mlz s THR 165 Cb -0.16 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.24 3mlz s THR 165 CO -0.02 -0.34 1.07 -0.36 -0.69 0.00 0.00 174.62 174.28 3mlz s PHE 166 N 2.89 2.88 0.63 4.92 0.40 0.19 -4.98 117.98 124.91 3mlz s PHE 166 Ca 0.28 1.48 -0.15 0.00 -0.60 0.00 0.00 56.93 57.94 3mlz s PHE 166 Cb -0.14 -2.95 -0.02 0.00 0.51 0.00 0.00 43.02 40.42 3mlz s PHE 166 CO 0.15 -1.47 1.08 -2.14 0.70 0.00 0.00 175.22 173.54 3mlz s PRO 167 N -4.96 3.05 -0.43 0.24 0.02 -1.26 -4.37 135.00 127.29 3mlz s PRO 167 Ca 0.59 1.28 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 3mlz s PRO 167 Cb -0.15 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3mlz s PRO 167 CO 0.55 -1.03 1.79 0.00 -0.33 0.00 0.00 177.00 177.97 3mlz s ALA 168 N -2.42 2.66 0.54 -1.55 0.00 -1.26 -4.64 121.76 115.08 3mlz s ALA 168 Ca 0.65 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 3mlz s ALA 168 Cb -0.18 -4.10 -0.06 0.00 0.00 0.00 0.00 23.12 18.78 3mlz s ALA 168 CO 0.40 -3.02 1.03 0.54 0.00 0.00 0.00 175.76 174.71 3mlz s VAL 169 N 7.48 4.00 -0.17 0.00 0.11 0.12 -4.86 120.40 127.08 3mlz s VAL 169 Ca 0.74 1.04 0.01 0.00 -2.93 0.00 0.00 61.98 60.85 3mlz s VAL 169 Cb -0.18 -3.49 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 3mlz s VAL 169 CO 0.29 -0.46 -0.20 -0.22 -3.33 0.00 0.00 175.10 171.18 3mlz s LEU 170 N -4.06 2.09 0.33 2.54 2.96 -1.26 -1.30 118.68 119.98 3mlz s LEU 170 Ca 0.63 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3mlz s LEU 170 Cb -0.14 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3mlz s LEU 170 CO 0.30 0.00 0.57 -1.10 -1.32 0.00 0.00 176.35 174.80 3mlz s GLN 171 N 1.25 3.57 0.00 1.98 -0.21 -0.91 -4.93 119.66 120.41 3mlz s GLN 171 Ca 0.04 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.32 3mlz s GLN 171 Cb -0.13 -2.63 0.00 0.00 1.00 0.00 0.00 33.01 31.25 3mlz s GLN 171 CO -0.12 0.15 0.20 -1.13 -2.12 0.00 0.00 175.29 172.27 3mlz n SER 172 N -1.38 0.00 0.00 5.90 3.41 -1.26 -1.19 113.62 119.10 3mlz n SER 172 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 3mlz n SER 172 Cb 0.55 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 3mlz n SER 172 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mlz h SER 173 N 0.00 0.15 0.00 4.04 0.02 -1.98 -3.46 113.55 112.32 3mlz h SER 173 Ca 0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3mlz h SER 173 Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3mlz h SER 173 CO 0.00 1.25 0.00 0.61 -1.14 0.00 0.00 176.83 177.55 3mlz n GLY 174 N 1.65 0.85 3.28 -3.77 0.00 -0.34 -4.60 105.19 102.26 3mlz n GLY 174 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3mlz n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mlz s LEU 175 N 0.00 2.19 0.66 0.99 1.43 -1.24 -4.57 118.68 118.13 3mlz s LEU 175 Ca 0.00 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 3mlz s LEU 175 Cb 0.00 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 3mlz s LEU 175 CO 0.00 0.21 1.04 -0.31 0.23 0.00 0.00 176.35 177.53 3mlz s TYR 176 N 0.03 3.36 -0.20 0.29 1.51 -0.35 -2.15 117.35 119.84 3mlz s TYR 176 Ca -0.09 1.36 -0.20 0.00 -1.01 0.00 0.00 57.07 57.13 3mlz s TYR 176 Cb -0.15 -2.81 0.06 0.00 -0.11 0.00 0.00 41.96 38.95 3mlz s TYR 176 CO 0.05 -0.96 0.57 -1.12 -1.11 0.00 0.00 175.55 172.98 3mlz s SER 177 N -3.95 -0.59 0.19 2.29 0.01 -0.42 -0.72 113.70 110.52 3mlz s SER 177 Ca 0.57 1.10 0.02 0.00 1.31 0.00 0.00 55.95 58.94 3mlz s SER 177 Cb -0.13 1.11 -0.01 0.00 0.21 0.00 0.00 66.02 67.21 3mlz s SER 177 CO 0.54 -0.23 0.21 0.00 0.41 0.00 0.00 173.24 174.17 3mlz n LEU 178 N 2.61 0.00 -3.76 2.44 -0.00 -0.30 0.13 117.00 118.13 3mlz n LEU 178 Ca -0.14 -1.73 -0.13 0.00 -0.00 0.00 0.00 56.01 54.02 3mlz n LEU 178 Cb 0.56 1.16 -0.11 0.00 -0.00 0.00 0.00 43.42 45.03 3mlz n LEU 178 CO 0.09 -0.33 -0.03 -0.44 -0.00 0.00 0.00 177.39 176.69 3mlz s SER 179 N -2.29 -0.33 0.11 1.45 0.01 -1.26 -2.19 113.70 109.20 3mlz s SER 179 Ca 0.20 0.64 0.03 0.00 1.31 0.00 0.00 55.95 58.13 3mlz s SER 179 Cb 0.00 0.63 -0.04 0.00 0.21 0.00 0.00 66.02 66.82 3mlz s SER 179 CO 0.14 -0.12 0.14 -0.55 0.41 0.00 0.00 173.24 173.27 3mlz s SER 180 N 0.34 5.75 -0.20 2.44 0.15 -1.19 0.55 113.70 121.53 3mlz s SER 180 Ca -0.01 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.54 3mlz s SER 180 Cb -0.03 -1.59 0.07 0.00 -1.71 0.00 0.00 66.02 62.75 3mlz s SER 180 CO -0.01 0.12 0.50 0.54 1.20 0.00 0.00 173.24 175.59 3mlz s VAL 181 N -1.57 -0.02 -0.10 4.45 0.11 -0.48 -1.54 120.40 121.26 3mlz s VAL 181 Ca 0.31 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.46 3mlz s VAL 181 Cb -0.11 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 3mlz s VAL 181 CO 0.24 0.03 -0.20 0.54 -3.33 0.00 0.00 175.10 172.38 3mlz s VAL 182 N 1.47 1.77 -0.07 2.04 0.11 -0.89 -0.47 120.40 124.36 3mlz s VAL 182 Ca -0.10 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 57.82 3mlz s VAL 182 Cb -0.07 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 3mlz s VAL 182 CO -0.15 0.49 0.99 -0.89 -3.33 0.00 0.00 175.10 172.22 3mlz s THR 183 N 0.60 4.82 0.02 5.04 2.01 -0.61 -3.19 115.64 124.32 3mlz s THR 183 Ca -0.14 2.04 0.01 0.00 0.31 0.00 0.00 61.69 63.91 3mlz s THR 183 Cb -0.17 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.02 3mlz s THR 183 CO 0.04 0.06 -0.05 0.68 -0.69 0.00 0.00 174.62 174.67 3mlz s VAL 184 N 1.66 0.32 -0.02 3.82 -7.23 0.60 -4.83 120.40 114.73 3mlz s VAL 184 Ca 0.49 -0.67 -0.26 0.00 -1.81 0.00 0.00 61.98 59.72 3mlz s VAL 184 Cb -0.19 -0.37 -0.13 0.00 0.56 0.00 0.00 36.38 36.25 3mlz s VAL 184 CO 0.21 -0.24 0.72 -2.65 -0.31 0.00 0.00 175.10 172.83 3mlz n PRO 185 N 2.09 0.00 0.00 4.82 -0.02 -1.26 0.12 135.00 140.75 3mlz n PRO 185 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3mlz n PRO 185 Cb 0.56 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 3mlz n PRO 185 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3mlz n SER 186 N 1.06 1.01 -4.03 2.55 2.88 -1.22 -4.55 113.62 111.33 3mlz n SER 186 Ca 0.13 -1.13 -0.31 0.00 -1.33 0.00 0.00 58.87 56.24 3mlz n SER 186 Cb 0.05 -0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 63.08 3mlz n SER 186 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3mlz s SER 187 N 0.13 4.54 -0.19 -3.46 0.01 -1.26 -4.40 113.70 109.06 3mlz s SER 187 Ca 0.00 -1.73 -0.15 0.00 1.31 0.00 0.00 55.95 55.37 3mlz s SER 187 Cb 0.00 -1.54 -0.10 0.00 0.21 0.00 0.00 66.02 64.60 3mlz s SER 187 CO 0.00 -0.29 -0.13 -1.20 0.41 0.00 0.00 173.24 172.03 3mlz n SER 188 N 4.38 1.88 -1.48 2.44 7.64 -1.24 -4.74 113.62 122.49 3mlz n SER 188 Ca -0.05 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.29 3mlz n SER 188 Cb 0.42 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 3mlz n SER 188 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3mlz n LEU 189 N -4.47 0.00 -4.77 -3.43 4.32 -1.26 -5.08 117.00 102.31 3mlz n LEU 189 Ca -0.24 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.44 3mlz n LEU 189 Cb 0.54 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.43 3mlz n LEU 189 CO 0.14 -0.13 0.70 -0.83 -1.22 0.00 0.00 177.39 176.05 3mlz s GLY 190 N -1.08 1.68 0.00 -0.72 0.00 -1.26 -4.97 107.32 100.97 3mlz s GLY 190 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3mlz s GLY 190 CO 0.00 0.60 0.00 -1.30 0.00 0.00 0.00 173.10 172.40 3mlz n THR 191 N -3.48 0.00 -0.36 0.90 -2.24 -1.26 -5.12 114.28 102.72 3mlz n THR 191 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3mlz n THR 191 Cb 0.53 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3mlz n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mlz n GLN 192 N -0.23 3.52 -3.43 -0.78 10.64 -1.26 -3.70 117.38 122.14 3mlz n GLN 192 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 3mlz n GLN 192 Cb 0.00 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.33 3mlz n GLN 192 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 3mlz s THR 193 N 2.26 -0.36 0.00 -0.39 -1.32 -1.26 -5.06 115.64 109.52 3mlz s THR 193 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3mlz s THR 193 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3mlz s THR 193 CO 0.00 0.00 0.00 -1.22 -2.21 0.00 0.00 174.62 171.19 3mlz n TYR 194 N 4.65 0.00 -4.17 9.09 0.53 -1.26 -5.03 117.16 120.97 3mlz n TYR 194 Ca -0.11 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.51 3mlz n TYR 194 Cb 0.54 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.78 3mlz n TYR 194 CO 0.00 0.00 0.00 0.96 -1.02 0.00 0.00 176.86 176.80 3mlz s ILE 195 N 0.00 3.97 -0.16 -0.72 -4.36 -1.26 -3.68 121.20 114.98 3mlz s ILE 195 Ca 0.00 -1.34 -0.08 0.00 -0.26 0.00 0.00 60.65 58.98 3mlz s ILE 195 Cb 0.00 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.65 3mlz s ILE 195 CO 0.00 -0.13 0.10 0.00 0.24 0.00 0.00 174.94 175.15 3mlz s ASN 197 N -0.16 6.14 -0.08 0.00 0.01 -1.02 -2.51 114.94 117.32 3mlz s ASN 197 Ca 0.09 -3.71 -0.24 0.00 -0.71 0.00 0.00 52.86 48.29 3mlz s ASN 197 Cb -0.12 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.57 3mlz s ASN 197 CO 0.01 -0.19 0.75 -0.69 -1.51 0.00 0.00 177.10 175.46 3mlz s VAL 198 N -1.34 5.00 -0.20 1.60 1.01 -0.28 -2.17 120.40 124.03 3mlz s VAL 198 Ca 0.28 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.80 3mlz s VAL 198 Cb -0.08 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.26 3mlz s VAL 198 CO -0.12 0.20 -0.12 0.21 0.00 0.00 0.00 175.10 175.27 3mlz s ASN 199 N 0.89 3.47 -1.03 3.32 3.04 -0.73 0.21 114.94 124.11 3mlz s ASN 199 Ca 0.39 -0.90 -0.13 0.00 0.04 0.00 0.00 52.86 52.26 3mlz s ASN 199 Cb -0.18 -1.32 0.22 0.00 -1.54 0.00 0.00 41.25 38.43 3mlz s ASN 199 CO 0.18 -0.12 1.08 -2.28 -3.04 0.00 0.00 177.10 172.92 3mlz s HIS 200 N 1.34 3.83 0.24 0.43 5.65 0.16 -2.83 115.29 124.12 3mlz s HIS 200 Ca -0.01 -2.22 -0.05 0.00 0.25 0.00 0.00 55.06 53.03 3mlz s HIS 200 Cb -0.16 -3.99 0.36 0.00 -1.18 0.00 0.00 32.58 27.61 3mlz s HIS 200 CO -0.09 -1.12 1.84 -0.22 -0.65 0.00 0.00 174.74 174.51 3mlz h LYS 201 N 7.35 0.91 -0.14 2.88 1.63 -1.84 0.30 116.57 127.66 3mlz h LYS 201 Ca 0.18 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 3mlz h LYS 201 Cb 0.94 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 3mlz h LYS 201 CO 1.00 0.60 0.14 -1.35 -3.45 0.00 0.00 179.45 176.39 3mlz h PRO 202 N 0.94 0.00 0.00 1.90 0.11 -1.89 -2.93 132.00 130.12 3mlz h PRO 202 Ca 0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 3mlz h PRO 202 Cb 0.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 3mlz h PRO 202 CO -0.19 0.00 -0.28 -1.13 -0.21 0.00 0.00 178.00 176.19 3mlz n SER 203 N -3.96 1.99 -3.87 -2.05 3.41 -0.28 -5.01 113.62 103.85 3mlz n SER 203 Ca 0.00 -3.51 -0.27 0.00 -0.26 0.00 0.00 58.87 54.83 3mlz n SER 203 Cb 0.25 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.71 3mlz n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mlz n ASN 204 N -1.25 -1.66 -4.02 4.04 4.13 -0.06 -4.88 115.26 111.56 3mlz n ASN 204 Ca 0.17 -0.81 -0.31 0.00 1.68 0.00 0.00 54.58 55.31 3mlz n ASN 204 Cb 0.67 -0.98 -0.15 0.00 -1.54 0.00 0.00 39.78 37.79 3mlz n ASN 204 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3mlz s THR 205 N -4.03 2.35 -0.07 3.41 2.01 -0.76 -4.99 115.64 113.56 3mlz s THR 205 Ca 0.22 -2.43 -0.22 0.00 0.31 0.00 0.00 61.69 59.58 3mlz s THR 205 Cb -0.12 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 3mlz s THR 205 CO 0.61 -0.62 0.63 -0.75 -0.69 0.00 0.00 174.62 173.80 3mlz s LYS 206 N 0.80 4.40 -0.04 4.92 2.20 -1.26 0.36 119.74 131.12 3mlz s LYS 206 Ca 0.11 0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 56.46 3mlz s LYS 206 Cb -0.20 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.72 3mlz s LYS 206 CO -0.07 0.13 0.04 0.08 -0.36 0.00 0.00 175.35 175.18 3mlz s VAL 207 N 0.60 -0.02 0.15 4.02 1.01 0.13 -5.00 120.40 121.29 3mlz s VAL 207 Ca 0.34 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 3mlz s VAL 207 Cb -0.17 -0.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.95 3mlz s VAL 207 CO 0.16 0.17 0.42 -1.81 0.00 0.00 0.00 175.10 174.05 3mlz s ASP 208 N 1.88 6.56 -0.12 3.32 -0.00 -1.24 -1.12 116.67 125.95 3mlz s ASP 208 Ca 0.02 0.72 -0.05 0.00 -0.00 0.00 0.00 52.55 53.23 3mlz s ASP 208 Cb -0.12 -2.15 0.06 0.00 -0.00 0.00 0.00 42.92 40.71 3mlz s ASP 208 CO -0.03 0.05 0.27 -0.75 -0.00 0.00 0.00 175.17 174.71 3mlz s LYS 209 N -2.51 0.21 -0.39 8.23 2.47 -1.04 -4.89 119.74 121.81 3mlz s LYS 209 Ca 0.41 0.65 -0.27 0.00 -1.56 0.00 0.00 55.97 55.20 3mlz s LYS 209 Cb -0.12 -0.06 0.02 0.00 -1.46 0.00 0.00 37.83 36.20 3mlz s LYS 209 CO 0.22 -0.21 1.01 0.21 0.16 0.00 0.00 175.35 176.74 3mlz s LYS 210 N 1.76 3.83 -0.79 4.03 2.20 -1.26 -2.61 119.74 126.90 3mlz s LYS 210 Ca -0.05 0.65 -0.11 0.00 -0.36 0.00 0.00 55.97 56.09 3mlz s LYS 210 Cb -0.11 -3.83 0.21 0.00 -1.51 0.00 0.00 37.83 32.59 3mlz s LYS 210 CO -0.09 -1.07 0.70 0.14 -0.36 0.00 0.00 175.35 174.67 3mlz s VAL 211 N 3.78 5.16 -0.22 4.02 -7.23 -1.24 -4.96 120.40 119.70 3mlz s VAL 211 Ca 0.42 -2.64 -0.08 0.00 -1.81 0.00 0.00 61.98 57.88 3mlz s VAL 211 Cb -0.11 -4.21 -0.04 0.00 0.56 0.00 0.00 36.38 32.59 3mlz s VAL 211 CO 0.22 -1.00 0.08 -1.83 -0.31 0.00 0.00 175.10 172.26 3mlz s GLU 212 N 0.05 3.82 0.27 4.82 4.04 -1.26 -4.97 118.70 125.46 3mlz s GLU 212 Ca 0.18 -0.41 0.00 0.00 0.04 0.00 0.00 54.97 54.78 3mlz s GLU 212 Cb -0.12 -3.31 0.00 0.00 0.02 0.00 0.00 34.13 30.72 3mlz s GLU 212 CO -0.08 0.01 0.00 -2.30 -1.84 0.00 0.00 175.26 171.05 3mlz n PRO 213 N 4.35 1.10 0.00 -4.83 -0.01 -1.26 -4.86 135.00 129.49 3mlz n PRO 213 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.33 3mlz n PRO 213 Cb 0.52 -0.54 0.00 0.00 -0.01 0.00 0.00 33.50 33.47 3mlz n PRO 213 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 175.50 175.85 3mlz n LYS 214 N 1.61 0.00 -1.88 -0.52 0.00 -1.26 -4.89 118.16 111.22 3mlz n LYS 214 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3mlz n LYS 214 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3mlz n LYS 214 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3mlz n SER 215 N 0.00 -0.95 -0.51 -5.58 2.88 -1.26 -5.00 113.62 103.20 3mlz n SER 215 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 3mlz n SER 215 Cb 0.00 -0.47 0.05 0.00 -0.75 0.00 0.00 64.21 63.05 3mlz n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81