#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmz s PRO 6 N 0.00 3.33 0.62 5.31 0.02 -1.26 -5.00 135.00 138.02 3bmz s PRO 6 Ca 0.00 1.98 -0.12 0.00 0.02 0.00 0.00 61.00 62.88 3bmz s PRO 6 Cb 0.00 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 3bmz s PRO 6 CO 0.00 -0.96 1.03 -1.25 -0.33 0.00 0.00 177.00 175.49 3bmz s PRO 7 N -2.92 3.50 0.48 5.54 0.04 -1.26 -4.67 135.00 135.71 3bmz s PRO 7 Ca 0.70 0.85 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 3bmz s PRO 7 Cb -0.34 -2.07 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3bmz s PRO 7 CO 0.40 -0.65 1.00 -0.51 0.04 0.00 0.00 177.00 177.28 3bmz s LEU 8 N -5.06 3.79 0.89 -3.56 1.43 -1.26 -4.57 118.68 110.34 3bmz s LEU 8 Ca 0.57 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 3bmz s LEU 8 Cb -0.12 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.69 3bmz s LEU 8 CO 0.50 -0.64 1.10 -0.76 0.23 0.00 0.00 176.35 176.78 3bmz s LEU 9 N -3.61 2.21 0.61 1.79 1.02 -0.48 -4.99 118.68 115.23 3bmz s LEU 9 Ca 0.63 1.38 -0.19 0.00 0.02 0.00 0.00 54.13 55.97 3bmz s LEU 9 Cb -0.12 -3.79 -0.03 0.00 0.02 0.00 0.00 46.19 42.26 3bmz s LEU 9 CO 0.22 -2.59 1.18 -2.65 0.02 0.00 0.00 176.35 172.52 3bmz n PRO 10 N -3.84 1.13 0.06 1.29 -0.02 -1.26 -4.88 135.00 127.48 3bmz n PRO 10 Ca 0.07 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 62.09 3bmz n PRO 10 Cb 0.56 -2.39 0.57 0.00 -0.02 0.00 0.00 33.50 32.22 3bmz n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bmz h ALA 11 N 0.68 2.06 -2.83 3.55 0.00 -1.95 -3.42 119.26 117.35 3bmz h ALA 11 Ca -0.50 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 3bmz h ALA 11 Cb 1.34 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.85 3bmz h ALA 11 CO 0.53 -0.14 -0.29 -0.98 0.00 0.00 0.00 179.25 178.37 3bmz s ARG 12 N -5.23 0.44 -0.01 0.00 1.70 -1.26 -1.63 118.95 112.97 3bmz s ARG 12 Ca -0.06 0.45 -0.24 0.00 -0.47 0.00 0.00 55.73 55.41 3bmz s ARG 12 Cb 0.18 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.83 3bmz s ARG 12 CO 0.72 -0.06 0.53 1.67 -1.08 0.00 0.00 175.30 177.07 3bmz s TRP 13 N 0.08 -0.45 0.04 5.89 1.48 -0.30 -4.46 118.94 121.22 3bmz s TRP 13 Ca -0.01 0.67 -0.09 0.00 -1.06 0.00 0.00 56.10 55.61 3bmz s TRP 13 Cb -0.03 0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.59 3bmz s TRP 13 CO 0.01 -0.56 0.18 -1.54 -4.06 0.00 0.00 176.95 170.97 3bmz s SER 14 N -1.51 0.06 -0.10 -2.66 1.04 -0.21 -0.32 113.70 110.00 3bmz s SER 14 Ca -0.10 -0.39 -0.30 0.00 0.48 0.00 0.00 55.95 55.64 3bmz s SER 14 Cb -0.02 0.28 0.12 0.00 0.10 0.00 0.00 66.02 66.50 3bmz s SER 14 CO 0.04 -0.55 0.96 -0.55 0.98 0.00 0.00 173.24 174.13 3bmz s SER 15 N -2.08 -0.36 0.75 7.02 0.15 -0.43 -0.33 113.70 118.42 3bmz s SER 15 Ca -0.05 0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.70 3bmz s SER 15 Cb -0.01 0.33 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 3bmz s SER 15 CO -0.04 -0.44 1.18 0.00 1.20 0.00 0.00 173.24 175.14 3bmz s ALA 16 N -1.91 2.08 0.08 5.45 0.00 -1.26 -0.89 121.76 125.31 3bmz s ALA 16 Ca 0.01 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.76 3bmz s ALA 16 Cb -0.01 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3bmz s ALA 16 CO -0.02 -1.91 -0.10 1.52 0.00 0.00 0.00 175.76 175.25 3bmz s TYR 17 N -2.18 0.98 -0.11 0.00 -0.85 -0.55 -3.90 117.35 110.74 3bmz s TYR 17 Ca 0.71 -0.62 0.02 0.00 -0.52 0.00 0.00 57.07 56.66 3bmz s TYR 17 Cb -0.26 -0.55 0.02 0.00 0.38 0.00 0.00 41.96 41.54 3bmz s TYR 17 CO 0.47 -0.03 -0.14 0.08 -1.52 0.00 0.00 175.55 174.41 3bmz s VAL 18 N -2.18 1.44 -0.09 -3.49 1.01 -0.37 -1.63 120.40 115.10 3bmz s VAL 18 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3bmz s VAL 18 Cb -0.05 -1.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3bmz s VAL 18 CO -0.00 0.43 -0.23 -0.44 0.00 0.00 0.00 175.10 174.86 3bmz s SER 19 N 1.01 3.24 0.00 3.32 0.01 0.47 -0.61 113.70 121.14 3bmz s SER 19 Ca -0.06 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3bmz s SER 19 Cb -0.15 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 64.85 3bmz s SER 19 CO -0.02 0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.83 3bmz n TYR 20 N 3.29 -0.30 -3.99 2.43 4.11 0.11 -1.26 117.16 121.55 3bmz n TYR 20 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.63 3bmz n TYR 20 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.76 3bmz n TYR 20 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 3bmz s TRP 21 N -4.76 0.31 -0.12 -3.48 0.52 -1.26 -0.93 118.94 109.22 3bmz s TRP 21 Ca 0.00 -0.65 -0.01 0.00 0.02 0.00 0.00 56.10 55.46 3bmz s TRP 21 Cb 0.00 -0.23 0.03 0.00 -1.15 0.00 0.00 33.47 32.13 3bmz s TRP 21 CO 0.00 -0.29 -0.03 0.45 0.02 0.00 0.00 176.95 177.10 3bmz s SER 22 N -2.00 2.16 0.91 2.95 0.15 0.28 -3.48 113.70 114.67 3bmz s SER 22 Ca -0.07 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.12 3bmz s SER 22 Cb -0.03 -0.69 0.14 0.00 -1.71 0.00 0.00 66.02 63.73 3bmz s SER 22 CO -0.04 -0.18 1.10 -2.16 1.20 0.00 0.00 173.24 173.17 3bmz s PRO 23 N 1.80 1.13 -0.65 5.44 0.04 -1.26 -0.41 135.00 141.10 3bmz s PRO 23 Ca 0.04 0.56 -0.24 0.00 0.04 0.00 0.00 61.00 61.40 3bmz s PRO 23 Cb -0.13 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.65 3bmz s PRO 23 CO -0.07 -2.26 1.01 -1.64 0.04 0.00 0.00 177.00 174.08 3bmz s MET 24 N -5.07 3.17 0.70 4.56 -1.94 -1.23 -4.89 119.30 114.61 3bmz s MET 24 Ca 0.64 -0.60 -0.11 0.00 -1.71 0.00 0.00 55.69 53.90 3bmz s MET 24 Cb -0.17 -4.18 0.01 0.00 2.01 0.00 0.00 34.83 32.50 3bmz s MET 24 CO 0.56 -1.80 1.07 -0.51 -0.01 0.00 0.00 175.02 174.33 3bmz s LEU 25 N 4.32 3.01 0.44 -0.03 1.43 -1.26 -4.93 118.68 121.65 3bmz s LEU 25 Ca 0.26 1.44 0.16 0.00 -1.03 0.00 0.00 54.13 54.97 3bmz s LEU 25 Cb -0.14 -4.29 1.08 0.00 0.03 0.00 0.00 46.19 42.87 3bmz s LEU 25 CO 0.13 -1.42 1.93 -0.65 0.23 0.00 0.00 176.35 176.57 3bmz h PRO 26 N -0.70 0.37 -0.01 1.29 0.11 -2.05 -0.62 132.00 130.39 3bmz h PRO 26 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3bmz h PRO 26 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3bmz h PRO 26 CO 0.59 0.25 -0.22 -0.25 -0.21 0.00 0.00 178.00 178.16 3bmz n ASP 27 N -4.47 0.82 -4.77 -2.05 8.00 -1.26 -4.92 116.55 107.90 3bmz n ASP 27 Ca 0.14 -0.74 -0.39 0.00 0.71 0.00 0.00 54.79 54.51 3bmz n ASP 27 Cb 0.53 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 3bmz n ASP 27 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3bmz s ASP 28 N -2.53 6.71 0.10 -2.24 1.01 -0.24 -5.02 116.67 114.46 3bmz s ASP 28 Ca 0.25 2.42 0.07 0.00 0.71 0.00 0.00 52.55 56.00 3bmz s ASP 28 Cb 0.19 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 3bmz s ASP 28 CO 0.52 -0.55 -0.10 -1.10 0.21 0.00 0.00 175.17 174.15 3bmz s GLN 29 N -2.02 2.15 -0.31 8.23 -1.52 -1.26 -4.88 119.66 120.05 3bmz s GLN 29 Ca 0.53 -1.01 -0.12 0.00 -1.95 0.00 0.00 55.36 52.81 3bmz s GLN 29 Cb -0.33 -2.32 -0.03 0.00 -0.22 0.00 0.00 33.01 30.11 3bmz s GLN 29 CO 0.43 0.51 0.21 -1.17 -0.25 0.00 0.00 175.29 175.02 3bmz s LEU 30 N -2.17 4.23 0.24 2.90 2.96 -1.26 -4.34 118.68 121.24 3bmz s LEU 30 Ca 0.21 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3bmz s LEU 30 Cb -0.11 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 3bmz s LEU 30 CO 0.13 -0.13 -0.03 0.42 -1.32 0.00 0.00 176.35 175.42 3bmz s THR 31 N 1.74 1.26 0.13 3.68 -4.23 -0.38 -4.97 115.64 112.86 3bmz s THR 31 Ca 0.07 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3bmz s THR 31 Cb -0.17 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 3bmz s THR 31 CO 0.11 -0.35 -0.08 -0.94 -0.54 0.00 0.00 174.62 172.81 3bmz s SER 32 N -3.34 1.48 0.00 3.99 1.04 -1.26 -0.39 113.70 115.22 3bmz s SER 32 Ca 0.28 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3bmz s SER 32 Cb 0.05 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3bmz s SER 32 CO 0.09 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3bmz n GLY 33 N -0.14 1.76 3.00 7.32 0.00 -0.64 -4.19 105.19 112.30 3bmz n GLY 33 Ca -0.11 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 3bmz n GLY 33 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bmz s TYR 34 N -2.06 0.40 0.04 1.61 5.04 -0.60 -1.49 117.35 120.30 3bmz s TYR 34 Ca 0.00 -0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 54.12 3bmz s TYR 34 Cb 0.00 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 42.03 3bmz s TYR 34 CO 0.00 -0.13 0.06 0.00 -1.34 0.00 0.00 175.55 174.14 3bmz s TRP 36 N -2.87 0.09 -0.11 0.00 0.51 -0.12 -1.31 118.94 115.13 3bmz s TRP 36 Ca -0.03 0.06 -0.00 0.00 -2.12 0.00 0.00 56.10 54.01 3bmz s TRP 36 Cb 0.00 -0.19 0.02 0.00 -0.81 0.00 0.00 33.47 32.50 3bmz s TRP 36 CO -0.06 -0.06 -0.09 -0.06 -0.51 0.00 0.00 176.95 176.17 3bmz s PHE 37 N 0.65 1.56 -0.32 -1.98 0.40 0.57 -0.88 117.98 117.99 3bmz s PHE 37 Ca -0.06 -0.78 0.02 0.00 -0.60 0.00 0.00 56.93 55.51 3bmz s PHE 37 Cb -0.08 -1.27 0.09 0.00 0.51 0.00 0.00 43.02 42.27 3bmz s PHE 37 CO -0.02 -0.52 0.05 0.34 0.70 0.00 0.00 175.22 175.77 3bmz s ASP 38 N 1.63 4.45 0.42 1.36 -1.08 -0.36 -1.15 116.67 121.95 3bmz s ASP 38 Ca 0.04 -1.88 0.23 0.00 -0.52 0.00 0.00 52.55 50.42 3bmz s ASP 38 Cb -0.13 -1.36 0.46 0.00 -1.46 0.00 0.00 42.92 40.43 3bmz s ASP 38 CO -0.08 -0.37 1.64 1.88 0.52 0.00 0.00 175.17 178.77 3bmz h TYR 39 N 7.79 0.00 -0.03 -5.34 0.05 -1.56 0.17 116.97 118.05 3bmz h TYR 39 Ca -0.09 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.49 3bmz h TYR 39 Cb 1.02 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.78 3bmz h TYR 39 CO 0.44 0.12 -0.75 0.93 -1.05 0.00 0.00 178.16 177.85 3bmz h GLU 40 N 0.00 0.56 0.00 4.88 4.39 -1.94 -3.12 114.58 119.35 3bmz h GLU 40 Ca -0.00 -0.56 -0.06 0.00 0.34 0.00 0.00 59.36 59.07 3bmz h GLU 40 Cb 1.00 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3bmz h GLU 40 CO 0.02 1.19 -0.29 0.00 -1.16 0.00 0.00 179.01 178.76 3bmz h ARG 41 N 0.15 0.00 -4.32 2.33 3.08 -1.92 -3.48 114.38 110.23 3bmz h ARG 41 Ca -0.09 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.76 3bmz h ARG 41 Cb 1.43 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.59 3bmz h ARG 41 CO 0.15 0.29 -0.49 -3.47 -1.07 0.00 0.00 179.97 175.38 3bmz n ASP 42 N -3.37 -2.28 -3.85 7.04 2.03 0.53 -4.67 116.55 112.00 3bmz n ASP 42 Ca 0.01 -0.40 -0.12 0.00 0.52 0.00 0.00 54.79 54.80 3bmz n ASP 42 Cb 0.51 -3.42 -0.10 0.00 -0.72 0.00 0.00 41.12 37.39 3bmz n ASP 42 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3bmz s ILE 43 N -3.23 0.07 0.13 5.18 1.01 -0.77 -1.35 121.20 122.25 3bmz s ILE 43 Ca 0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 3bmz s ILE 43 Cb -0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 3bmz s ILE 43 CO 0.46 -0.34 0.03 0.00 0.00 0.00 0.00 174.94 175.09 3bmz s ARG 45 N -4.00 0.27 -0.05 0.00 3.52 -0.06 -1.00 118.95 117.64 3bmz s ARG 45 Ca 0.22 0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 56.17 3bmz s ARG 45 Cb 0.07 0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.60 3bmz s ARG 45 CO 0.01 -0.04 -0.02 0.42 -0.81 0.00 0.00 175.30 174.86 3bmz s ILE 46 N 0.22 0.39 -0.15 4.11 1.01 -0.43 -0.94 121.20 125.42 3bmz s ILE 46 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3bmz s ILE 46 Cb -0.02 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.97 3bmz s ILE 46 CO -0.00 0.22 -0.21 -1.81 0.00 0.00 0.00 174.94 173.14 3bmz s ASP 47 N 1.39 3.08 0.00 3.58 1.11 -0.27 -1.04 116.67 124.52 3bmz s ASP 47 Ca -0.04 -0.60 0.00 0.00 0.18 0.00 0.00 52.55 52.09 3bmz s ASP 47 Cb -0.13 -1.43 0.00 0.00 1.07 0.00 0.00 42.92 42.43 3bmz s ASP 47 CO -0.03 0.06 0.00 0.61 1.18 0.00 0.00 175.17 177.00 3bmz n GLY 48 N 4.17 0.77 3.72 0.21 0.00 -0.38 -1.55 105.19 112.12 3bmz n GLY 48 Ca -0.20 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3bmz n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bmz s LEU 49 N 0.00 4.37 0.20 0.99 1.43 -1.26 -1.62 118.68 122.79 3bmz s LEU 49 Ca 0.00 2.79 -0.31 0.00 -1.03 0.00 0.00 54.13 55.59 3bmz s LEU 49 Cb 0.00 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 3bmz s LEU 49 CO 0.00 -0.94 1.43 0.12 0.23 0.00 0.00 176.35 177.19 3bmz s PHE 50 N 1.30 3.12 -0.09 0.29 2.19 0.56 -4.89 117.98 120.46 3bmz s PHE 50 Ca 0.74 0.98 -0.03 0.00 0.33 0.00 0.00 56.93 58.95 3bmz s PHE 50 Cb -0.48 -3.77 0.04 0.00 -1.31 0.00 0.00 43.02 37.50 3bmz s PHE 50 CO 0.32 -2.59 0.06 1.21 1.83 0.00 0.00 175.22 176.05 3bmz s ASN 51 N 0.63 1.69 0.24 6.13 3.84 -1.26 -3.83 114.94 122.38 3bmz s ASN 51 Ca 0.62 -0.21 -0.12 0.00 0.21 0.00 0.00 52.86 53.35 3bmz s ASN 51 Cb -0.40 -0.25 -0.08 0.00 -0.55 0.00 0.00 41.25 39.98 3bmz s ASN 51 CO 0.38 -0.28 0.60 -2.16 -2.79 0.00 0.00 177.10 172.85 3bmz s PRO 52 N 2.11 3.90 -0.13 0.43 0.04 -1.26 -5.07 135.00 135.01 3bmz s PRO 52 Ca 0.04 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.45 3bmz s PRO 52 Cb -0.14 -2.64 0.06 0.00 0.04 0.00 0.00 34.50 31.82 3bmz s PRO 52 CO -0.05 0.30 0.28 -0.46 0.04 0.00 0.00 177.00 177.11 3bmz s TRP 53 N -1.80 -0.44 -0.55 0.56 -0.11 -1.25 -5.12 118.94 110.24 3bmz s TRP 53 Ca 0.47 0.99 -0.23 0.00 1.22 0.00 0.00 56.10 58.55 3bmz s TRP 53 Cb -0.12 0.05 0.05 0.00 -1.50 0.00 0.00 33.47 31.95 3bmz s TRP 53 CO 0.20 -0.32 0.88 -1.54 -4.62 0.00 0.00 176.95 171.55 3bmz s SER 54 N 1.94 6.31 0.27 5.86 1.04 -1.26 -4.89 113.70 122.97 3bmz s SER 54 Ca -0.04 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.91 3bmz s SER 54 Cb -0.11 -2.41 0.36 0.00 0.10 0.00 0.00 66.02 63.96 3bmz s SER 54 CO -0.09 -1.17 1.71 -0.08 0.98 0.00 0.00 173.24 174.58 3bmz h GLU 55 N 9.26 0.57 -0.49 4.02 4.81 -1.98 -2.43 114.58 128.35 3bmz h GLU 55 Ca -0.26 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3bmz h GLU 55 Cb 1.08 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3bmz h GLU 55 CO 1.07 0.75 0.32 -0.09 -0.73 0.00 0.00 179.01 180.33 3bmz h ARG 56 N 0.51 0.64 -0.05 1.92 9.65 -1.90 0.47 114.38 125.62 3bmz h ARG 56 Ca 0.08 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.74 3bmz h ARG 56 Cb 0.66 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 3bmz h ARG 56 CO 0.05 0.44 -0.74 -0.44 2.80 0.00 0.00 179.97 182.08 3bmz h ASP 57 N 0.66 0.34 0.00 -3.80 3.32 -1.94 -3.36 116.42 111.62 3bmz h ASP 57 Ca 0.18 -0.23 -0.20 0.00 0.02 0.00 0.00 57.03 56.80 3bmz h ASP 57 Cb -0.06 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3bmz h ASP 57 CO -0.04 0.96 -2.02 0.35 -1.72 0.00 0.00 179.24 176.77 3bmz n THR 58 N -3.79 0.74 -0.34 0.35 -2.24 -0.92 -5.02 114.28 103.06 3bmz n THR 58 Ca -0.03 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3bmz n THR 58 Cb 0.71 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3bmz n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bmz n GLY 59 N 1.81 0.71 3.47 3.38 0.00 0.16 -5.05 105.19 109.67 3bmz n GLY 59 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3bmz n GLY 59 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bmz s TYR 60 N -2.50 -0.24 0.04 1.61 -0.85 -1.22 -4.46 117.35 109.73 3bmz s TYR 60 Ca 0.00 -0.07 -0.05 0.00 -0.52 0.00 0.00 57.07 56.43 3bmz s TYR 60 Cb 0.00 0.42 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 3bmz s TYR 60 CO 0.00 -0.88 0.27 1.03 -1.52 0.00 0.00 175.55 174.46 3bmz s ARG 61 N -3.83 3.55 -0.16 -3.49 0.52 -0.23 -4.03 118.95 111.28 3bmz s ARG 61 Ca 0.06 -0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 55.11 3bmz s ARG 61 Cb -0.01 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 3bmz s ARG 61 CO -0.07 0.61 -0.13 -1.17 0.02 0.00 0.00 175.30 174.57 3bmz s LEU 62 N -2.06 2.62 -0.09 2.53 2.96 -1.26 -0.16 118.68 123.23 3bmz s LEU 62 Ca 0.31 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.70 3bmz s LEU 62 Cb -0.13 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 3bmz s LEU 62 CO 0.20 0.09 0.25 0.86 -1.32 0.00 0.00 176.35 176.43 3bmz s TRP 63 N 0.80 3.62 -0.01 5.38 -0.00 -0.03 -0.32 118.94 128.38 3bmz s TRP 63 Ca -0.05 0.69 -0.03 0.00 -0.00 0.00 0.00 56.10 56.72 3bmz s TRP 63 Cb -0.15 -2.13 -0.00 0.00 -0.00 0.00 0.00 33.47 31.19 3bmz s TRP 63 CO 0.01 0.62 0.05 1.41 -0.00 0.00 0.00 176.95 179.03 3bmz s MET 64 N -0.77 0.21 -0.16 5.86 -2.45 -0.64 -0.82 119.30 120.52 3bmz s MET 64 Ca 0.18 -0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.45 3bmz s MET 64 Cb -0.14 0.08 0.01 0.00 1.25 0.00 0.00 34.83 36.03 3bmz s MET 64 CO 0.07 -0.04 -0.17 0.45 1.05 0.00 0.00 175.02 176.38 3bmz s SER 65 N -0.60 3.41 -0.11 1.11 0.15 -0.23 -1.25 113.70 116.18 3bmz s SER 65 Ca -0.07 -0.55 0.04 0.00 0.70 0.00 0.00 55.95 56.07 3bmz s SER 65 Cb -0.04 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 3bmz s SER 65 CO 0.00 0.05 -0.23 -0.70 1.20 0.00 0.00 173.24 173.56 3bmz s GLU 66 N 1.02 3.05 -0.32 5.44 2.12 -0.21 -0.39 118.70 129.41 3bmz s GLU 66 Ca -0.02 -0.87 -0.04 0.00 0.36 0.00 0.00 54.97 54.40 3bmz s GLU 66 Cb -0.15 -2.33 0.05 0.00 0.26 0.00 0.00 34.13 31.96 3bmz s GLU 66 CO -0.05 0.14 0.06 0.08 -0.54 0.00 0.00 175.26 174.95 3bmz s VAL 67 N 0.43 3.40 -0.35 3.70 1.01 -0.02 -1.31 120.40 127.26 3bmz s VAL 67 Ca -0.16 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.42 3bmz s VAL 67 Cb -0.17 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3bmz s VAL 67 CO 0.07 -0.16 0.21 -0.83 0.00 0.00 0.00 175.10 174.39 3bmz s GLY 68 N 1.35 1.93 -0.49 4.51 0.00 -0.17 -1.38 107.32 113.07 3bmz s GLY 68 Ca -0.03 -1.53 -0.11 0.00 0.00 0.00 0.00 44.72 43.05 3bmz s GLY 68 CO 0.01 0.79 0.39 0.21 0.00 0.00 0.00 173.10 174.49 3bmz s ASN 69 N 1.63 5.83 0.40 1.64 3.84 -0.20 -1.25 114.94 126.84 3bmz s ASN 69 Ca 0.04 -1.88 0.21 0.00 0.21 0.00 0.00 52.86 51.45 3bmz s ASN 69 Cb -0.18 -2.06 0.76 0.00 -0.55 0.00 0.00 41.25 39.22 3bmz s ASN 69 CO 0.08 -0.74 1.76 0.00 -2.79 0.00 0.00 177.10 175.41 3bmz h ALA 70 N 8.57 0.99 0.50 1.71 0.00 -1.42 0.11 119.26 129.71 3bmz h ALA 70 Ca -0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3bmz h ALA 70 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3bmz h ALA 70 CO 0.91 0.37 -0.24 0.00 0.00 0.00 0.00 179.25 180.29 3bmz h ALA 71 N 1.70 -0.67 0.00 0.00 0.00 -1.78 -3.12 119.26 115.39 3bmz h ALA 71 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3bmz h ALA 71 Cb 0.85 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3bmz h ALA 71 CO 0.04 -0.79 -0.04 0.77 0.00 0.00 0.00 179.25 179.23 3bmz h SER 72 N -0.84 0.00 -0.11 0.00 0.02 -1.87 -3.47 113.55 107.28 3bmz h SER 72 Ca -0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3bmz h SER 72 Cb 0.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 3bmz h SER 72 CO 0.11 0.04 -0.02 0.61 -1.14 0.00 0.00 176.83 176.43 3bmz n GLY 73 N 0.71 0.39 3.08 -3.77 0.00 0.30 -5.01 105.19 100.89 3bmz n GLY 73 Ca 0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 3bmz n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bmz s ARG 74 N -3.08 0.87 0.18 1.61 1.81 -0.67 -0.84 118.95 118.83 3bmz s ARG 74 Ca 0.00 -0.52 0.08 0.00 -1.72 0.00 0.00 55.73 53.57 3bmz s ARG 74 Cb 0.00 -0.84 -0.04 0.00 -0.45 0.00 0.00 34.95 33.61 3bmz s ARG 74 CO 0.00 0.22 -0.03 -0.08 -0.68 0.00 0.00 175.30 174.73 3bmz s THR 75 N -0.50 3.54 -0.06 0.02 -1.32 -0.01 -1.03 115.64 116.28 3bmz s THR 75 Ca 0.03 -1.50 0.02 0.00 -1.21 0.00 0.00 61.69 59.02 3bmz s THR 75 Cb -0.06 -2.77 0.02 0.00 -1.51 0.00 0.00 72.50 68.18 3bmz s THR 75 CO 0.00 -0.11 -0.09 0.86 -2.21 0.00 0.00 174.62 173.07 3bmz s TRP 76 N -1.72 1.15 -0.11 9.09 -0.00 -0.48 -2.26 118.94 124.61 3bmz s TRP 76 Ca 0.27 -0.40 0.01 0.00 -0.00 0.00 0.00 56.10 55.98 3bmz s TRP 76 Cb -0.09 -0.90 0.02 0.00 -0.00 0.00 0.00 33.47 32.49 3bmz s TRP 76 CO 0.17 -0.25 -0.13 0.15 -0.00 0.00 0.00 176.95 176.89 3bmz s LYS 77 N 0.82 1.99 -0.24 5.86 1.02 0.40 -0.84 119.74 128.76 3bmz s LYS 77 Ca -0.12 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.31 3bmz s LYS 77 Cb -0.15 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3bmz s LYS 77 CO 0.02 -0.11 0.12 -1.14 -0.92 0.00 0.00 175.35 173.32 3bmz s GLN 78 N 1.12 3.90 -0.03 1.68 0.74 0.48 -1.62 119.66 125.94 3bmz s GLN 78 Ca -0.05 -0.36 0.05 0.00 0.05 0.00 0.00 55.36 55.06 3bmz s GLN 78 Cb -0.14 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.52 3bmz s GLN 78 CO -0.03 -0.02 -0.19 0.15 -0.55 0.00 0.00 175.29 174.65 3bmz s LYS 79 N 1.22 1.74 -0.08 1.67 1.02 -1.26 -1.07 119.74 122.98 3bmz s LYS 79 Ca 0.06 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.36 3bmz s LYS 79 Cb -0.14 -1.60 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 3bmz s LYS 79 CO 0.05 0.36 -0.06 0.08 -0.92 0.00 0.00 175.35 174.85 3bmz s VAL 80 N -0.27 0.83 0.04 3.17 1.01 -0.00 -0.96 120.40 124.21 3bmz s VAL 80 Ca 0.03 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3bmz s VAL 80 Cb -0.09 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 3bmz s VAL 80 CO 0.01 0.32 0.58 0.00 0.00 0.00 0.00 175.10 176.00 3bmz s ALA 81 N 1.37 3.55 -0.29 5.51 0.00 -0.31 -0.85 121.76 130.74 3bmz s ALA 81 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 3bmz s ALA 81 Cb -0.14 -2.67 0.06 0.00 0.00 0.00 0.00 23.12 20.37 3bmz s ALA 81 CO -0.03 0.31 -0.03 0.71 0.00 0.00 0.00 175.76 176.71 3bmz s TYR 82 N -0.73 3.28 0.11 0.00 1.51 0.78 -0.82 117.35 121.49 3bmz s TYR 82 Ca 0.30 -2.04 0.06 0.00 -1.01 0.00 0.00 57.07 54.37 3bmz s TYR 82 Cb -0.19 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 3bmz s TYR 82 CO 0.18 -0.83 -0.03 0.20 -1.11 0.00 0.00 175.55 173.96 3bmz s GLY 83 N 1.21 1.84 0.08 0.71 0.00 -0.46 -1.06 107.32 109.64 3bmz s GLY 83 Ca -0.06 -1.21 -0.23 0.00 0.00 0.00 0.00 44.72 43.22 3bmz s GLY 83 CO -0.02 -1.19 0.70 0.50 0.00 0.00 0.00 173.10 173.08 3bmz s ARG 84 N -2.41 4.43 0.13 2.90 0.52 -1.26 -0.59 118.95 122.67 3bmz s ARG 84 Ca 0.25 0.97 0.04 0.00 -0.52 0.00 0.00 55.73 56.47 3bmz s ARG 84 Cb -0.11 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 3bmz s ARG 84 CO 0.17 0.45 -0.10 -1.21 0.02 0.00 0.00 175.30 174.63 3bmz s GLU 85 N -0.59 0.98 -0.14 3.54 0.41 0.79 -4.95 118.70 118.75 3bmz s GLU 85 Ca 0.35 -1.36 -0.04 0.00 -0.41 0.00 0.00 54.97 53.50 3bmz s GLU 85 Cb -0.21 -0.55 -0.03 0.00 -1.78 0.00 0.00 34.13 31.56 3bmz s GLU 85 CO 0.22 0.07 0.01 1.03 -0.49 0.00 0.00 175.26 176.10 3bmz s ARG 86 N -3.51 3.53 0.28 1.61 0.52 -1.26 -0.43 118.95 119.69 3bmz s ARG 86 Ca 0.13 -0.42 0.04 0.00 -0.52 0.00 0.00 55.73 54.96 3bmz s ARG 86 Cb 0.01 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 3bmz s ARG 86 CO -0.00 0.42 0.15 0.25 0.02 0.00 0.00 175.30 176.14 3bmz n THR 87 N 3.02 0.00 -0.00 0.02 -2.24 0.35 -4.97 114.28 110.46 3bmz n THR 87 Ca -0.18 -1.76 0.09 0.00 -2.27 0.00 0.00 64.05 59.92 3bmz n THR 87 Cb 0.53 0.73 0.50 0.00 -2.10 0.00 0.00 70.33 69.98 3bmz n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bmz h ALA 88 N 1.61 1.91 0.00 6.98 0.00 -2.01 -1.87 119.26 125.87 3bmz h ALA 88 Ca -0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3bmz h ALA 88 Cb 0.89 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3bmz h ALA 88 CO 0.33 0.02 -0.07 -0.07 0.00 0.00 0.00 179.25 179.45 3bmz h LEU 89 N 0.40 0.00 0.00 0.00 3.38 -2.01 -3.50 115.31 113.58 3bmz h LEU 89 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3bmz h LEU 89 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3bmz h LEU 89 CO -0.05 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3bmz n GLY 90 N 0.91 0.21 3.74 0.83 0.00 -0.71 -5.05 105.19 105.13 3bmz n GLY 90 Ca 0.03 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3bmz n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bmz s GLU 91 N -0.63 4.69 0.08 1.61 2.12 -1.26 -0.49 118.70 124.82 3bmz s GLU 91 Ca 0.00 1.63 0.03 0.00 0.36 0.00 0.00 54.97 56.99 3bmz s GLU 91 Cb 0.00 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 3bmz s GLU 91 CO 0.00 0.24 -0.09 -0.65 -0.54 0.00 0.00 175.26 174.23 3bmz s GLN 92 N -0.73 0.73 -0.11 4.30 -0.21 0.43 -4.93 119.66 119.15 3bmz s GLN 92 Ca 0.46 -1.05 -0.06 0.00 0.02 0.00 0.00 55.36 54.72 3bmz s GLN 92 Cb -0.28 -0.39 -0.04 0.00 1.00 0.00 0.00 33.01 33.30 3bmz s GLN 92 CO 0.34 0.05 0.12 -0.51 -2.12 0.00 0.00 175.29 173.18 3bmz s LEU 93 N -2.26 4.25 -0.10 2.90 1.43 -1.26 -0.15 118.68 123.50 3bmz s LEU 93 Ca 0.01 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.56 3bmz s LEU 93 Cb -0.04 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 3bmz s LEU 93 CO -0.01 0.40 -0.24 0.00 0.23 0.00 0.00 176.35 176.73 3bmz s GLU 95 N 0.31 3.98 -0.23 0.00 1.03 -1.26 -1.35 118.70 121.18 3bmz s GLU 95 Ca -0.18 0.48 -0.03 0.00 0.03 0.00 0.00 54.97 55.27 3bmz s GLU 95 Cb -0.18 -3.07 0.10 0.00 -0.80 0.00 0.00 34.13 30.18 3bmz s GLU 95 CO 0.08 0.57 0.20 1.03 -1.33 0.00 0.00 175.26 175.82 3bmz s ARG 96 N -1.58 0.20 0.54 -4.83 3.00 0.00 -4.98 118.95 111.30 3bmz s ARG 96 Ca 0.32 -0.02 -0.21 0.00 0.00 0.00 0.00 55.73 55.82 3bmz s ARG 96 Cb -0.16 -1.18 -0.05 0.00 0.00 0.00 0.00 34.95 33.55 3bmz s ARG 96 CO 0.18 -0.79 1.21 -2.14 0.00 0.00 0.00 175.30 173.75 3bmz s PRO 97 N 2.27 3.29 0.13 3.54 0.02 -1.26 -1.16 135.00 141.83 3bmz s PRO 97 Ca 0.07 1.84 0.03 0.00 0.02 0.00 0.00 61.00 62.96 3bmz s PRO 97 Cb -0.15 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 3bmz s PRO 97 CO -0.20 -0.95 0.20 -0.51 -0.33 0.00 0.00 177.00 175.20 3bmz s LEU 98 N -3.63 4.10 0.66 -5.54 1.02 -0.14 -4.90 118.68 110.25 3bmz s LEU 98 Ca 0.72 0.07 -0.18 0.00 0.02 0.00 0.00 54.13 54.76 3bmz s LEU 98 Cb -0.30 -2.70 -0.00 0.00 0.02 0.00 0.00 46.19 43.20 3bmz s LEU 98 CO 0.35 0.09 1.28 -1.81 0.02 0.00 0.00 176.35 176.29 3bmz s ASP 99 N -2.95 4.52 0.49 2.29 1.11 -1.26 -4.47 116.67 116.39 3bmz s ASP 99 Ca 0.33 2.60 -0.24 0.00 0.18 0.00 0.00 52.55 55.42 3bmz s ASP 99 Cb -0.11 -2.62 -0.07 0.00 1.07 0.00 0.00 42.92 41.20 3bmz s ASP 99 CO 0.26 -2.06 1.38 -1.81 1.18 0.00 0.00 175.17 174.12 3bmz s ASP 100 N -1.47 5.64 0.02 0.27 1.01 -1.12 -4.76 116.67 116.25 3bmz s ASP 100 Ca 0.82 2.82 0.07 0.00 0.71 0.00 0.00 52.55 56.97 3bmz s ASP 100 Cb -0.37 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 40.89 3bmz s ASP 100 CO 0.41 -1.33 -0.18 -1.61 0.21 0.00 0.00 175.17 172.67 3bmz s GLU 101 N -2.65 2.14 0.14 8.23 2.02 -0.64 -4.95 118.70 122.98 3bmz s GLU 101 Ca 0.65 -0.94 0.06 0.00 0.02 0.00 0.00 54.97 54.77 3bmz s GLU 101 Cb -0.42 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 3bmz s GLU 101 CO 0.52 0.55 -0.14 0.99 0.02 0.00 0.00 175.26 177.20 3bmz s THR 102 N -0.88 1.40 0.10 3.63 2.01 -1.26 -0.45 115.64 120.19 3bmz s THR 102 Ca 0.14 -1.85 -0.24 0.00 0.31 0.00 0.00 61.69 60.04 3bmz s THR 102 Cb -0.10 -1.68 0.08 0.00 0.01 0.00 0.00 72.50 70.81 3bmz s THR 102 CO 0.04 -0.48 1.13 0.61 -0.69 0.00 0.00 174.62 175.23 3bmz n GLY 103 N 0.28 0.44 3.78 4.40 0.00 -0.96 -4.99 105.19 108.14 3bmz n GLY 103 Ca -0.13 -1.11 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 3bmz n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bmz s PRO 104 N -2.04 3.38 -0.35 1.61 0.04 -1.26 -0.83 135.00 135.56 3bmz s PRO 104 Ca 0.26 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.87 3bmz s PRO 104 Cb -0.02 -2.02 0.16 0.00 0.04 0.00 0.00 34.50 32.66 3bmz s PRO 104 CO 0.03 -0.81 0.41 0.12 0.04 0.00 0.00 177.00 176.79 3bmz s PHE 105 N -1.87 -0.70 -0.02 0.56 5.36 -0.02 -4.49 117.98 116.80 3bmz s PHE 105 Ca 0.71 -0.31 0.12 0.00 -0.96 0.00 0.00 56.93 56.48 3bmz s PHE 105 Cb -0.22 -0.25 -0.12 0.00 -0.34 0.00 0.00 43.02 42.09 3bmz s PHE 105 CO 0.27 -1.00 1.17 0.00 -1.46 0.00 0.00 175.22 174.20 3bmz h ALA 106 N 7.45 0.56 -2.76 11.12 0.00 -1.91 -3.35 119.26 130.36 3bmz h ALA 106 Ca -0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 3bmz h ALA 106 Cb 1.09 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 3bmz h ALA 106 CO 0.22 1.06 -0.08 -1.83 0.00 0.00 0.00 179.25 178.62 3bmz s GLU 107 N -2.80 1.12 0.67 0.00 -1.05 -1.26 -4.93 118.70 110.45 3bmz s GLU 107 Ca 0.00 -0.77 -0.15 0.00 -0.15 0.00 0.00 54.97 53.91 3bmz s GLU 107 Cb 0.09 0.47 0.01 0.00 -0.44 0.00 0.00 34.13 34.25 3bmz s GLU 107 CO 0.80 -0.44 1.11 -0.51 0.95 0.00 0.00 175.26 177.17 3bmz s LEU 108 N -2.83 3.37 0.48 1.83 1.43 -1.26 -4.91 118.68 116.78 3bmz s LEU 108 Ca 0.05 2.01 0.15 0.00 -1.03 0.00 0.00 54.13 55.31 3bmz s LEU 108 Cb 0.02 -4.55 1.12 0.00 0.03 0.00 0.00 46.19 42.80 3bmz s LEU 108 CO -0.10 -1.69 2.05 -0.26 0.23 0.00 0.00 176.35 176.58 3bmz h PHE 109 N -0.05 0.00 -2.74 0.29 0.04 -2.00 -3.29 116.94 109.19 3bmz h PHE 109 Ca -0.47 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 59.71 3bmz h PHE 109 Cb 1.25 0.00 -0.39 0.00 2.20 0.00 0.00 35.95 39.00 3bmz h PHE 109 CO 0.54 0.11 -0.81 -1.17 -0.60 0.00 0.00 178.31 176.39 3bmz s LEU 110 N -8.75 1.86 0.56 1.54 2.96 -1.26 -5.13 118.68 110.45 3bmz s LEU 110 Ca -0.04 -2.53 -0.21 0.00 -0.22 0.00 0.00 54.13 51.13 3bmz s LEU 110 Cb 0.16 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 46.10 3bmz s LEU 110 CO 0.68 -0.27 1.35 -2.65 -1.32 0.00 0.00 176.35 174.15 3bmz n PRO 111 N 3.63 1.63 -0.23 0.98 -0.02 -1.24 -4.89 135.00 134.86 3bmz n PRO 111 Ca 0.13 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 62.26 3bmz n PRO 111 Cb 0.37 -2.57 0.29 0.00 -0.02 0.00 0.00 33.50 31.57 3bmz n PRO 111 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3bmz h ARG 112 N 1.34 0.88 -0.57 -0.52 2.43 -1.94 -2.07 114.38 113.93 3bmz h ARG 112 Ca -0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3bmz h ARG 112 Cb 1.31 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3bmz h ARG 112 CO 0.57 0.58 0.00 -0.40 -1.51 0.00 0.00 179.97 179.21 3bmz n ASP 113 N -4.47 5.24 -0.34 -3.80 5.75 -1.26 -1.38 116.55 116.29 3bmz n ASP 113 Ca 0.11 -2.78 0.07 0.00 -0.01 0.00 0.00 54.79 52.18 3bmz n ASP 113 Cb 0.17 -0.63 0.24 0.00 -1.03 0.00 0.00 41.12 39.86 3bmz n ASP 113 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 3bmz h VAL 114 N 3.80 0.87 -0.19 2.12 3.04 -1.72 0.47 116.25 124.63 3bmz h VAL 114 Ca 0.00 -0.31 -0.14 0.00 -1.01 0.00 0.00 66.70 65.24 3bmz h VAL 114 Cb 1.75 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 3bmz h VAL 114 CO 0.38 0.16 -0.47 -0.07 -1.01 0.00 0.00 177.57 176.57 3bmz h LEU 115 N 0.89 0.54 -0.00 3.16 3.38 -1.83 -1.22 115.31 120.22 3bmz h LEU 115 Ca 0.49 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3bmz h LEU 115 Cb 0.54 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3bmz h LEU 115 CO -0.29 0.92 -0.00 0.03 0.09 0.00 0.00 178.44 179.20 3bmz h ARG 116 N 0.40 0.00 -0.46 1.13 3.08 -1.57 0.10 114.38 117.06 3bmz h ARG 116 Ca 0.02 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3bmz h ARG 116 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3bmz h ARG 116 CO 0.09 0.65 -0.08 0.00 -1.07 0.00 0.00 179.97 179.56 3bmz h ARG 117 N -0.65 0.81 -0.23 0.04 2.47 -0.91 -2.61 114.38 113.30 3bmz h ARG 117 Ca -0.00 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3bmz h ARG 117 Cb 0.65 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 3bmz h ARG 117 CO 0.00 0.86 0.00 1.28 0.56 0.00 0.00 179.97 182.68 3bmz n LEU 118 N -4.17 2.20 -2.27 3.04 4.77 -0.47 -4.97 117.00 115.14 3bmz n LEU 118 Ca 0.02 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 54.96 3bmz n LEU 118 Cb 0.35 -0.15 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3bmz n LEU 118 CO 0.43 0.46 0.09 0.61 -1.33 0.00 0.00 177.39 177.65 3bmz n GLY 119 N 1.24 0.06 3.75 -0.72 0.00 -0.99 -4.44 105.19 104.09 3bmz n GLY 119 Ca 0.17 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3bmz n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bmz s ALA 120 N -3.19 2.58 0.01 4.61 0.00 0.00 -4.87 121.76 120.91 3bmz s ALA 120 Ca 0.12 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.25 3bmz s ALA 120 Cb -0.05 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3bmz s ALA 120 CO 0.40 -1.24 -0.23 1.03 0.00 0.00 0.00 175.76 175.71 3bmz s ARG 121 N -3.24 2.03 -0.01 0.00 1.81 -0.02 -4.77 118.95 114.76 3bmz s ARG 121 Ca 0.77 -0.98 -0.30 0.00 -1.72 0.00 0.00 55.73 53.50 3bmz s ARG 121 Cb -0.33 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 3bmz s ARG 121 CO 0.36 0.55 1.19 -1.58 -0.68 0.00 0.00 175.30 175.13 3bmz s HIS 122 N -0.77 3.32 -0.52 -0.53 5.65 -1.26 -0.68 115.29 120.50 3bmz s HIS 122 Ca 0.12 1.28 0.13 0.00 0.25 0.00 0.00 55.06 56.84 3bmz s HIS 122 Cb -0.10 -3.40 0.39 0.00 -1.18 0.00 0.00 32.58 28.28 3bmz s HIS 122 CO 0.02 -1.21 1.31 0.44 -0.65 0.00 0.00 174.74 174.64 3bmz n ILE 123 N 4.30 1.59 0.00 0.89 -5.35 0.07 -4.95 119.36 115.91 3bmz n ILE 123 Ca 0.10 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.15 3bmz n ILE 123 Cb 0.47 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 3bmz n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bmz n GLY 124 N -0.06 0.68 3.86 3.28 0.00 -1.26 -4.91 105.19 106.79 3bmz n GLY 124 Ca 0.15 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 3bmz n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bmz s ARG 125 N -1.12 3.87 -0.04 1.61 1.81 -1.26 -1.48 118.95 122.33 3bmz s ARG 125 Ca 0.00 0.36 -0.06 0.00 -1.72 0.00 0.00 55.73 54.31 3bmz s ARG 125 Cb 0.00 -2.72 0.01 0.00 -0.45 0.00 0.00 34.95 31.79 3bmz s ARG 125 CO 0.00 0.36 0.15 0.50 -0.68 0.00 0.00 175.30 175.63 3bmz s ARG 126 N -2.56 0.28 -0.21 3.54 3.52 -0.22 -4.94 118.95 118.36 3bmz s ARG 126 Ca 0.45 0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.79 3bmz s ARG 126 Cb -0.12 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 3bmz s ARG 126 CO 0.20 -0.05 1.37 0.08 -0.81 0.00 0.00 175.30 176.09 3bmz s VAL 127 N -0.37 4.07 -0.06 7.11 1.01 -1.26 -0.15 120.40 130.75 3bmz s VAL 127 Ca -0.05 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.19 3bmz s VAL 127 Cb -0.03 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3bmz s VAL 127 CO 0.01 -0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.09 3bmz s VAL 128 N 4.15 0.66 -1.56 2.92 1.01 -0.22 -4.80 120.40 122.56 3bmz s VAL 128 Ca 0.60 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 3bmz s VAL 128 Cb -0.21 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.57 3bmz s VAL 128 CO 0.21 0.27 0.75 0.18 0.00 0.00 0.00 175.10 176.51 3bmz n LEU 129 N 4.31 -2.14 0.00 3.92 4.77 -1.26 -2.54 117.00 124.05 3bmz n LEU 129 Ca -0.20 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3bmz n LEU 129 Cb 0.51 -2.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.32 3bmz n LEU 129 CO 0.21 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3bmz n GLY 130 N -1.63 0.63 3.63 -0.72 0.00 -1.26 -5.02 105.19 100.82 3bmz n GLY 130 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3bmz n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bmz s ARG 131 N -0.15 1.63 0.18 1.61 3.03 -1.05 -5.12 118.95 119.07 3bmz s ARG 131 Ca 0.00 -1.25 -0.30 0.00 2.03 0.00 0.00 55.73 56.21 3bmz s ARG 131 Cb 0.00 0.50 -0.09 0.00 -1.03 0.00 0.00 34.95 34.33 3bmz s ARG 131 CO 0.00 -0.69 1.36 -1.21 -1.13 0.00 0.00 175.30 173.63 3bmz s GLU 132 N -3.89 4.34 0.03 3.89 2.02 -1.26 -1.05 118.70 122.77 3bmz s GLU 132 Ca 0.21 2.11 0.07 0.00 0.02 0.00 0.00 54.97 57.37 3bmz s GLU 132 Cb -0.02 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 3bmz s GLU 132 CO 0.09 -0.35 -0.20 0.00 0.02 0.00 0.00 175.26 174.83 3bmz s ALA 133 N 0.44 1.68 -0.10 5.21 0.00 0.79 -2.69 121.76 127.08 3bmz s ALA 133 Ca 0.60 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 3bmz s ALA 133 Cb -0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3bmz s ALA 133 CO 0.36 0.38 0.99 -0.51 0.00 0.00 0.00 175.76 176.99 3bmz s ASP 134 N -0.98 7.23 -0.16 0.00 1.01 0.17 -1.06 116.67 122.89 3bmz s ASP 134 Ca 0.07 1.52 -0.17 0.00 0.71 0.00 0.00 52.55 54.68 3bmz s ASP 134 Cb -0.08 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3bmz s ASP 134 CO 0.01 -0.43 0.44 -0.83 0.21 0.00 0.00 175.17 174.57 3bmz s GLY 135 N 1.09 2.25 -0.20 0.21 0.00 -0.55 -1.05 107.32 109.07 3bmz s GLY 135 Ca 0.48 -0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.88 3bmz s GLY 135 CO 0.18 0.78 -0.14 -0.98 0.00 0.00 0.00 173.10 172.94 3bmz s TRP 136 N 0.92 2.70 -0.12 1.90 0.52 -0.18 -0.75 118.94 123.93 3bmz s TRP 136 Ca 0.23 -1.73 -0.03 0.00 0.02 0.00 0.00 56.10 54.59 3bmz s TRP 136 Cb -0.15 -1.79 -0.03 0.00 -1.15 0.00 0.00 33.47 30.35 3bmz s TRP 136 CO 0.09 -0.79 -0.01 0.50 0.02 0.00 0.00 176.95 176.76 3bmz s ARG 137 N 1.31 3.32 0.15 4.98 3.52 0.15 -0.91 118.95 131.46 3bmz s ARG 137 Ca -0.00 -0.45 -0.10 0.00 -0.13 0.00 0.00 55.73 55.05 3bmz s ARG 137 Cb -0.16 -2.86 -0.00 0.00 -1.56 0.00 0.00 34.95 30.37 3bmz s ARG 137 CO -0.09 0.49 0.29 1.52 -0.81 0.00 0.00 175.30 176.70 3bmz s TYR 138 N -0.30 0.28 -0.19 5.12 1.13 -0.42 -0.84 117.35 122.13 3bmz s TYR 138 Ca 0.06 -0.65 -0.09 0.00 -1.41 0.00 0.00 57.07 54.98 3bmz s TYR 138 Cb -0.12 -0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.69 3bmz s TYR 138 CO 0.02 -0.70 0.12 -0.65 -2.51 0.00 0.00 175.55 171.83 3bmz s GLN 139 N -3.93 4.09 -0.47 -3.49 -1.52 -1.26 -0.80 119.66 112.27 3bmz s GLN 139 Ca 0.13 -0.23 -0.24 0.00 -1.95 0.00 0.00 55.36 53.08 3bmz s GLN 139 Cb 0.03 -3.37 0.03 0.00 -0.22 0.00 0.00 33.01 29.48 3bmz s GLN 139 CO -0.03 0.35 0.84 1.03 -0.25 0.00 0.00 175.29 177.23 3bmz s ARG 140 N 0.22 3.41 0.04 2.91 0.52 0.34 -4.95 118.95 121.44 3bmz s ARG 140 Ca 0.08 -0.10 -0.35 0.00 -0.52 0.00 0.00 55.73 54.84 3bmz s ARG 140 Cb -0.11 -3.96 -0.14 0.00 0.52 0.00 0.00 34.95 31.26 3bmz s ARG 140 CO -0.01 -1.21 1.64 -2.30 0.02 0.00 0.00 175.30 173.44 3bmz n PRO 141 N 6.93 1.92 -0.98 3.54 -0.02 -1.26 -1.06 135.00 144.07 3bmz n PRO 141 Ca 0.03 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3bmz n PRO 141 Cb 0.48 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3bmz n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bmz n GLY 142 N 3.62 0.43 1.29 -1.23 0.00 -1.26 -4.82 105.19 103.22 3bmz n GLY 142 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3bmz n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bmz n LYS 143 N -1.95 0.00 -1.91 1.61 5.02 -0.23 -5.17 118.16 115.53 3bmz n LYS 143 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3bmz n LYS 143 Cb 0.11 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 3bmz n LYS 143 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bmz n GLY 144 N 2.86 -0.63 3.85 0.72 0.00 -0.86 -5.01 105.19 106.12 3bmz n GLY 144 Ca 0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 3bmz n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bmz s PRO 145 N -1.65 3.45 0.05 1.61 0.04 -1.26 -0.50 135.00 136.73 3bmz s PRO 145 Ca 0.00 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 3bmz s PRO 145 Cb 0.00 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3bmz s PRO 145 CO 0.00 -0.69 0.02 -1.12 0.04 0.00 0.00 177.00 175.24 3bmz s SER 146 N -3.97 0.35 -0.05 6.66 0.01 0.02 -0.51 113.70 116.21 3bmz s SER 146 Ca 0.56 -0.79 0.01 0.00 1.31 0.00 0.00 55.95 57.04 3bmz s SER 146 Cb -0.12 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.34 3bmz s SER 146 CO 0.52 -0.54 -0.04 -0.89 0.41 0.00 0.00 173.24 172.70 3bmz s THR 147 N -3.23 0.52 -0.18 1.44 2.01 -0.16 -1.30 115.64 114.74 3bmz s THR 147 Ca 0.00 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.89 3bmz s THR 147 Cb 0.03 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 3bmz s THR 147 CO -0.07 0.23 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.83 3bmz s LEU 148 N 1.12 3.06 -0.23 4.42 2.96 -0.08 -0.37 118.68 129.55 3bmz s LEU 148 Ca -0.08 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3bmz s LEU 148 Cb -0.14 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 3bmz s LEU 148 CO -0.01 0.08 0.14 -0.31 -1.32 0.00 0.00 176.35 174.93 3bmz s TYR 149 N 0.87 3.29 -0.02 5.38 2.02 0.49 -1.01 117.35 128.37 3bmz s TYR 149 Ca -0.01 0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.89 3bmz s TYR 149 Cb -0.15 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 3bmz s TYR 149 CO 0.01 0.04 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.40 3bmz s LEU 150 N 1.02 2.85 0.08 -1.29 1.43 -0.21 -0.64 118.68 121.91 3bmz s LEU 150 Ca 0.07 -0.21 -0.34 0.00 -1.03 0.00 0.00 54.13 52.62 3bmz s LEU 150 Cb -0.13 -1.62 -0.13 0.00 0.03 0.00 0.00 46.19 44.33 3bmz s LEU 150 CO 0.04 0.32 1.67 -0.67 0.23 0.00 0.00 176.35 177.93 3bmz n ASP 151 N 1.99 3.15 0.22 2.29 -0.08 0.26 -0.65 116.55 123.72 3bmz n ASP 151 Ca -0.17 1.05 0.07 0.00 -1.51 0.00 0.00 54.79 54.23 3bmz n ASP 151 Cb 0.52 -1.40 0.49 0.00 2.34 0.00 0.00 41.12 43.07 3bmz n ASP 151 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bmz h ALA 152 N 6.92 1.30 0.11 -1.67 0.00 -1.85 0.29 119.26 124.36 3bmz h ALA 152 Ca -0.46 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 53.90 3bmz h ALA 152 Cb 1.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3bmz h ALA 152 CO 0.90 0.33 -1.58 0.00 0.00 0.00 0.00 179.25 178.91 3bmz h ALA 153 N 1.73 0.25 0.00 0.00 0.00 -1.89 -3.42 119.26 115.94 3bmz h ALA 153 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3bmz h ALA 153 Cb 0.57 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3bmz h ALA 153 CO 0.03 0.96 -1.92 -1.13 0.00 0.00 0.00 179.25 177.19 3bmz n SER 154 N -3.84 0.39 0.00 0.00 3.41 -1.20 -5.00 113.62 107.38 3bmz n SER 154 Ca -0.28 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 3bmz n SER 154 Cb 0.93 1.92 0.00 0.00 -0.26 0.00 0.00 64.21 66.80 3bmz n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bmz n GLY 155 N 1.36 0.46 3.83 5.00 0.00 0.08 -5.00 105.19 110.93 3bmz n GLY 155 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3bmz n GLY 155 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bmz s THR 156 N -2.00 4.53 0.32 2.61 -4.23 -1.26 -4.49 115.64 111.12 3bmz s THR 156 Ca 0.00 1.23 -0.29 0.00 -1.18 0.00 0.00 61.69 61.45 3bmz s THR 156 Cb 0.00 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.10 3bmz s THR 156 CO 0.00 -0.21 1.38 -2.84 -0.54 0.00 0.00 174.62 172.42 3bmz s PRO 157 N -2.97 4.28 -0.03 3.99 0.02 -1.26 -0.58 135.00 138.45 3bmz s PRO 157 Ca 0.57 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3bmz s PRO 157 Cb -0.10 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 3bmz s PRO 157 CO 0.16 -0.33 -0.03 1.28 -0.33 0.00 0.00 177.00 177.75 3bmz n LEU 158 N 1.14 2.97 -3.69 -5.54 4.77 0.19 -4.67 117.00 112.18 3bmz n LEU 158 Ca 0.02 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3bmz n LEU 158 Cb 0.41 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 3bmz n LEU 158 CO 0.61 0.55 0.06 -0.60 -1.33 0.00 0.00 177.39 176.68 3bmz s ARG 159 N -2.06 0.40 -0.23 3.23 3.52 -1.03 -1.05 118.95 121.72 3bmz s ARG 159 Ca -0.04 0.81 -0.06 0.00 -0.13 0.00 0.00 55.73 56.31 3bmz s ARG 159 Cb 0.01 -0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.37 3bmz s ARG 159 CO 0.07 -0.16 0.02 1.41 -0.81 0.00 0.00 175.30 175.83 3bmz s MET 160 N 1.46 3.53 -0.28 5.12 -2.45 0.23 -0.38 119.30 126.52 3bmz s MET 160 Ca -0.09 -0.54 -0.07 0.00 -1.25 0.00 0.00 55.69 53.74 3bmz s MET 160 Cb -0.08 -3.17 0.00 0.00 1.25 0.00 0.00 34.83 32.83 3bmz s MET 160 CO -0.13 -0.18 0.07 0.08 1.05 0.00 0.00 175.02 175.91 3bmz s VAL 161 N 1.50 3.94 -0.33 10.11 1.01 0.50 -1.26 120.40 135.88 3bmz s VAL 161 Ca 0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3bmz s VAL 161 Cb -0.15 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.27 3bmz s VAL 161 CO 0.00 0.14 0.12 -0.89 0.00 0.00 0.00 175.10 174.47 3bmz s THR 162 N 1.51 3.99 0.00 3.92 2.01 -0.21 -0.99 115.64 125.88 3bmz s THR 162 Ca 0.03 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3bmz s THR 162 Cb -0.17 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.15 3bmz s THR 162 CO 0.02 -0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3bmz n GLY 163 N 4.86 -2.29 3.54 4.40 0.00 0.34 -1.13 105.19 114.91 3bmz n GLY 163 Ca -0.13 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 3bmz n GLY 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bmz s ASP 164 N -1.33 6.30 0.54 1.61 2.15 -1.12 -4.34 116.67 120.47 3bmz s ASP 164 Ca 0.00 -0.19 0.20 0.00 0.43 0.00 0.00 52.55 52.99 3bmz s ASP 164 Cb 0.00 -2.27 1.40 0.00 -0.30 0.00 0.00 42.92 41.75 3bmz s ASP 164 CO 0.00 -0.55 2.15 -0.08 -0.17 0.00 0.00 175.17 176.53 3bmz h GLU 165 N 8.58 0.00 -0.02 4.34 4.81 -1.89 0.28 114.58 130.68 3bmz h GLU 165 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3bmz h GLU 165 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3bmz h GLU 165 CO 0.80 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.08 3bmz n ALA 166 N -2.50 2.63 0.05 2.92 0.00 -1.26 -4.50 120.51 117.84 3bmz n ALA 166 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3bmz n ALA 166 Cb 0.14 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3bmz n ALA 166 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bmz n SER 167 N -0.68 0.13 -3.61 0.00 2.88 0.25 -5.06 113.62 107.53 3bmz n SER 167 Ca 0.19 0.16 -0.02 0.00 -1.33 0.00 0.00 58.87 57.86 3bmz n SER 167 Cb 0.14 0.06 -0.05 0.00 -0.75 0.00 0.00 64.21 63.61 3bmz n SER 167 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3bmz s ARG 168 N -1.43 0.55 -0.02 -1.46 6.06 0.74 -4.36 118.95 119.03 3bmz s ARG 168 Ca 0.00 1.28 -0.23 0.00 -2.50 0.00 0.00 55.73 54.28 3bmz s ARG 168 Cb 0.00 0.65 0.05 0.00 0.06 0.00 0.00 34.95 35.71 3bmz s ARG 168 CO 0.00 -0.17 0.50 0.00 -2.50 0.00 0.00 175.30 173.13 3bmz s ALA 169 N 2.54 -1.30 0.09 6.12 0.00 0.45 -2.77 121.76 126.89 3bmz s ALA 169 Ca -0.06 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 3bmz s ALA 169 Cb -0.10 0.07 -0.07 0.00 0.00 0.00 0.00 23.12 23.03 3bmz s ALA 169 CO -0.19 -0.34 0.55 -1.54 0.00 0.00 0.00 175.76 174.25 3bmz s SER 170 N -1.33 6.97 -0.08 0.00 1.04 -0.28 -0.55 113.70 119.47 3bmz s SER 170 Ca -0.11 1.19 0.05 0.00 0.48 0.00 0.00 55.95 57.55 3bmz s SER 170 Cb -0.02 -2.33 -0.00 0.00 0.10 0.00 0.00 66.02 63.76 3bmz s SER 170 CO 0.06 0.23 -0.24 -0.76 0.98 0.00 0.00 173.24 173.51 3bmz s LEU 171 N -1.36 2.07 -0.10 2.42 1.02 -0.10 -1.04 118.68 121.58 3bmz s LEU 171 Ca 0.31 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.93 3bmz s LEU 171 Cb -0.18 -1.38 0.02 0.00 0.02 0.00 0.00 46.19 44.67 3bmz s LEU 171 CO 0.19 0.20 -0.09 -0.13 0.02 0.00 0.00 176.35 176.53 3bmz s ARG 172 N 0.10 1.60 -0.01 1.70 0.52 -0.39 -0.72 118.95 121.75 3bmz s ARG 172 Ca -0.11 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3bmz s ARG 172 Cb -0.16 -1.56 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 3bmz s ARG 172 CO 0.06 -0.19 0.03 -0.51 0.02 0.00 0.00 175.30 174.71 3bmz s ASP 173 N 1.44 5.34 -0.53 0.23 1.01 0.22 -0.60 116.67 123.77 3bmz s ASP 173 Ca 0.00 0.07 0.04 0.00 0.71 0.00 0.00 52.55 53.36 3bmz s ASP 173 Cb -0.13 -1.46 0.14 0.00 1.01 0.00 0.00 42.92 42.48 3bmz s ASP 173 CO -0.05 0.29 0.31 -0.36 0.21 0.00 0.00 175.17 175.57 3bmz s PHE 174 N -1.10 2.72 -0.99 4.23 0.08 -0.21 -1.23 117.98 121.47 3bmz s PHE 174 Ca 0.20 -2.90 0.28 0.00 0.12 0.00 0.00 56.93 54.63 3bmz s PHE 174 Cb -0.12 -2.35 1.20 0.00 -0.57 0.00 0.00 43.02 41.18 3bmz s PHE 174 CO 0.11 -0.72 1.91 -2.30 -0.10 0.00 0.00 175.22 174.11 3bmz n PRO 175 N 2.99 0.01 -2.82 0.24 -0.02 -1.25 -4.33 135.00 129.82 3bmz n PRO 175 Ca 0.11 0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.50 3bmz n PRO 175 Cb 0.35 -1.51 0.04 0.00 -0.02 0.00 0.00 33.50 32.35 3bmz n PRO 175 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bmz n ASN 176 N -1.53 -0.06 -4.73 2.55 6.94 -1.26 -5.06 115.26 112.10 3bmz n ASN 176 Ca 0.07 -2.90 -0.42 0.00 -0.02 0.00 0.00 54.58 51.31 3bmz n ASN 176 Cb 0.34 0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.91 3bmz n ASN 176 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3bmz s VAL 177 N -1.67 2.32 -0.06 3.53 1.01 -1.26 -4.56 120.40 119.70 3bmz s VAL 177 Ca 0.29 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.56 3bmz s VAL 177 Cb 0.39 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3bmz s VAL 177 CO -0.03 0.03 -0.19 -0.55 0.00 0.00 0.00 175.10 174.36 3bmz s SER 178 N 0.83 3.62 -0.13 3.32 0.15 0.56 -4.96 113.70 117.08 3bmz s SER 178 Ca 0.67 -0.35 0.18 0.00 0.70 0.00 0.00 55.95 57.15 3bmz s SER 178 Cb -0.46 -0.91 0.72 0.00 -1.71 0.00 0.00 66.02 63.66 3bmz s SER 178 CO 0.38 0.28 1.63 -0.62 1.20 0.00 0.00 173.24 176.12 3bmz n GLU 179 N 2.72 3.85 -1.19 5.44 1.02 -1.26 -1.04 120.64 130.18 3bmz n GLU 179 Ca -0.17 -2.91 -0.31 0.00 -0.02 0.00 0.00 57.16 53.75 3bmz n GLU 179 Cb 0.52 -1.93 0.11 0.00 -0.02 0.00 0.00 31.44 30.12 3bmz n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bmz s ALA 180 N -1.98 2.04 0.49 0.62 0.00 -1.26 -4.85 121.76 116.82 3bmz s ALA 180 Ca 0.51 0.24 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 3bmz s ALA 180 Cb 0.34 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 3bmz s ALA 180 CO 0.23 -1.98 1.31 0.39 0.00 0.00 0.00 175.76 175.71 3bmz n GLU 181 N -3.66 1.81 -4.09 0.00 -0.58 -1.26 -4.83 120.64 108.02 3bmz n GLU 181 Ca 0.09 0.66 -0.35 0.00 -0.42 0.00 0.00 57.16 57.14 3bmz n GLU 181 Cb 0.53 -2.49 -0.14 0.00 -0.57 0.00 0.00 31.44 28.77 3bmz n GLU 181 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3bmz s ILE 182 N -1.26 3.48 0.36 -3.67 1.01 -1.26 -5.09 121.20 114.77 3bmz s ILE 182 Ca 0.67 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 60.56 3bmz s ILE 182 Cb -0.45 -2.56 -0.11 0.00 0.01 0.00 0.00 42.46 39.34 3bmz s ILE 182 CO 0.53 0.44 1.48 -2.65 0.00 0.00 0.00 174.94 174.75 3bmz n PRO 183 N 4.43 2.63 0.26 2.79 -0.02 -1.26 -4.88 135.00 138.95 3bmz n PRO 183 Ca -0.18 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.34 3bmz n PRO 183 Cb 0.51 -2.65 0.73 0.00 -0.02 0.00 0.00 33.50 32.08 3bmz n PRO 183 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3bmz h ASP 184 N 3.14 0.00 -0.01 2.55 2.03 -2.01 -1.62 116.42 120.50 3bmz h ASP 184 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 3bmz h ASP 184 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3bmz h ASP 184 CO 0.66 0.10 0.01 0.00 -1.03 0.00 0.00 179.24 178.98 3bmz h ALA 185 N 1.90 1.54 -0.69 4.15 0.00 -1.99 -0.91 119.26 123.27 3bmz h ALA 185 Ca -0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3bmz h ALA 185 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3bmz h ALA 185 CO 0.01 -0.02 0.46 0.28 0.00 0.00 0.00 179.25 179.99 3bmz h VAL 186 N 0.00 0.81 -0.67 0.00 2.07 -1.66 -2.13 116.25 114.68 3bmz h VAL 186 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3bmz h VAL 186 Cb 0.03 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3bmz h VAL 186 CO -0.00 0.07 0.00 0.49 0.02 0.00 0.00 177.57 178.15 3bmz n PHE 187 N -4.46 1.27 -2.68 1.57 3.72 -0.35 -4.97 117.46 111.57 3bmz n PHE 187 Ca 0.13 -0.57 -0.37 0.00 -0.05 0.00 0.00 57.45 56.58 3bmz n PHE 187 Cb 0.50 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.83 3bmz n PHE 187 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bmz s ALA 188 N -1.54 3.18 0.31 4.37 0.00 -0.80 -5.03 121.76 122.25 3bmz s ALA 188 Ca 0.50 0.61 0.10 0.00 0.00 0.00 0.00 51.96 53.16 3bmz s ALA 188 Cb 0.30 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 3bmz s ALA 188 CO 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 175.76 176.04 3bmz s ALA 189 N -1.60 3.15 0.15 0.00 0.00 -1.26 -5.05 121.76 117.15 3bmz s ALA 189 Ca 0.52 -1.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 3bmz s ALA 189 Cb -0.21 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 3bmz s ALA 189 CO 0.26 0.15 0.27 -1.59 0.00 0.00 0.00 175.76 174.85 3bmz s LYS 190 N -3.69 1.09 0.11 0.00 -2.85 -1.26 -5.15 119.74 108.01 3bmz s LYS 190 Ca 0.33 -1.13 -0.29 0.00 -1.00 0.00 0.00 55.97 53.89 3bmz s LYS 190 Cb -0.03 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.05 3bmz s LYS 190 CO 0.19 -0.39 0.92 0.50 0.10 0.00 0.00 175.35 176.67 3bmz s ARG 191 N -3.95 4.68 -0.36 1.78 3.52 -1.26 -4.95 118.95 118.42 3bmz s ARG 191 Ca 0.15 1.39 0.02 0.00 -0.13 0.00 0.00 55.73 57.16 3bmz s ARG 191 Cb 0.04 -3.36 0.11 0.00 -1.56 0.00 0.00 34.95 30.17 3bmz s ARG 191 CO -0.02 0.26 0.10 -0.51 -0.81 0.00 0.00 175.30 174.32 3bmz s LEU 192 N -0.14 3.80 -0.38 -0.88 1.43 -1.26 -5.03 118.68 116.21 3bmz s LEU 192 Ca 0.45 -2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 51.29 3bmz s LEU 192 Cb -0.23 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.66 3bmz s LEU 192 CO 0.29 -0.36 0.22 -1.61 0.23 0.00 0.00 176.35 175.12 3bmz s GLU 193 N 0.93 2.82 0.00 1.70 0.41 -1.26 -2.81 118.70 120.49 3bmz s GLU 193 Ca 0.12 -1.11 0.08 0.00 -0.41 0.00 0.00 54.97 53.65 3bmz s GLU 193 Cb -0.20 -3.77 0.07 0.00 -1.78 0.00 0.00 34.13 28.45 3bmz s GLU 193 CO -0.11 -0.73 0.77 0.72 -0.49 0.00 0.00 175.26 175.41