#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbm n ASP 2 N 0.00 4.97 -4.83 7.83 -0.08 -1.26 -4.98 116.55 118.20 3mbm n ASP 2 Ca 0.00 -3.06 -0.33 0.00 -1.51 0.00 0.00 54.79 49.89 3mbm n ASP 2 Cb 0.00 -1.51 -0.05 0.00 2.34 0.00 0.00 41.12 41.90 3mbm n ASP 2 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 3mbm s PHE 3 N 0.91 3.38 -0.01 -0.67 0.08 -1.26 -1.04 117.98 119.36 3mbm s PHE 3 Ca 0.41 1.53 -0.08 0.00 0.12 0.00 0.00 56.93 58.91 3mbm s PHE 3 Cb 0.09 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3mbm s PHE 3 CO -0.00 -0.28 0.15 1.03 -0.10 0.00 0.00 175.22 176.02 3mbm s ARG 4 N -3.68 0.45 0.18 0.44 1.81 -0.59 -4.94 118.95 112.61 3mbm s ARG 4 Ca 0.60 -0.28 0.09 0.00 -1.72 0.00 0.00 55.73 54.43 3mbm s ARG 4 Cb -0.10 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.55 3mbm s ARG 4 CO 0.23 -0.10 -0.14 0.96 -0.68 0.00 0.00 175.30 175.57 3mbm s ILE 5 N -1.12 2.95 0.07 1.52 -4.36 -1.26 -1.50 121.20 117.49 3mbm s ILE 5 Ca -0.12 -1.74 -0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3mbm s ILE 5 Cb -0.06 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 3mbm s ILE 5 CO 0.01 -0.09 -0.04 -0.83 0.24 0.00 0.00 174.94 174.24 3mbm s GLY 6 N -2.72 0.58 0.04 6.27 0.00 -0.07 -4.01 107.32 107.42 3mbm s GLY 6 Ca 0.23 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3mbm s GLY 6 CO 0.13 -1.36 -0.07 -0.86 0.00 0.00 0.00 173.10 170.94 3mbm s GLN 7 N -3.90 0.53 0.04 2.90 1.03 -1.26 -1.53 119.66 117.47 3mbm s GLN 7 Ca 0.09 -0.80 -0.01 0.00 0.04 0.00 0.00 55.36 54.68 3mbm s GLN 7 Cb 0.07 -0.22 -0.03 0.00 0.03 0.00 0.00 33.01 32.85 3mbm s GLN 7 CO -0.08 0.03 -0.03 0.20 -2.54 0.00 0.00 175.29 172.87 3mbm s GLY 8 N -1.73 0.40 -0.00 2.60 0.00 -0.04 -3.71 107.32 104.84 3mbm s GLY 8 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.62 3mbm s GLY 8 CO -0.00 -1.12 -0.02 -0.47 0.00 0.00 0.00 173.10 171.49 3mbm s TYR 9 N -3.20 0.14 -0.01 1.90 5.04 -1.26 -0.91 117.35 119.06 3mbm s TYR 9 Ca 0.00 -0.03 -0.22 0.00 -2.44 0.00 0.00 57.07 54.38 3mbm s TYR 9 Cb 0.03 -0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.29 3mbm s TYR 9 CO -0.07 -0.00 0.48 0.34 -1.34 0.00 0.00 175.55 174.95 3mbm s ASP 10 N -0.06 -0.40 -0.03 4.32 2.15 -0.39 -4.66 116.67 117.60 3mbm s ASP 10 Ca 0.00 0.31 -0.05 0.00 0.43 0.00 0.00 52.55 53.24 3mbm s ASP 10 Cb -0.01 0.43 0.01 0.00 -0.30 0.00 0.00 42.92 43.05 3mbm s ASP 10 CO -0.00 -0.57 0.13 0.54 -0.17 0.00 0.00 175.17 175.10 3mbm s VAL 11 N -1.58 0.03 0.05 1.11 0.11 -1.26 -0.80 120.40 118.06 3mbm s VAL 11 Ca -0.10 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3mbm s VAL 11 Cb -0.02 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3mbm s VAL 11 CO 0.05 -0.14 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.61 3mbm s HIS 12 N -0.43 0.62 0.51 1.54 3.76 -0.95 -5.00 115.29 115.33 3mbm s HIS 12 Ca -0.05 -0.62 -0.20 0.00 -0.15 0.00 0.00 55.06 54.03 3mbm s HIS 12 Cb -0.03 -0.38 -0.07 0.00 1.11 0.00 0.00 32.58 33.21 3mbm s HIS 12 CO 0.00 -0.14 1.12 -0.65 -0.85 0.00 0.00 174.74 174.22 3mbm s GLN 13 N -2.14 3.55 -0.29 1.40 -0.21 -1.26 -1.72 119.66 118.99 3mbm s GLN 13 Ca -0.06 1.60 -0.11 0.00 0.02 0.00 0.00 55.36 56.81 3mbm s GLN 13 Cb -0.06 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 3mbm s GLN 13 CO -0.02 -0.69 0.17 -1.17 -2.12 0.00 0.00 175.29 171.47 3mbm s LEU 14 N -3.54 4.02 0.10 2.90 2.96 -0.16 -1.09 118.68 123.87 3mbm s LEU 14 Ca 0.69 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3mbm s LEU 14 Cb -0.23 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.34 3mbm s LEU 14 CO 0.27 -0.09 -0.10 0.68 -1.32 0.00 0.00 176.35 175.79 3mbm s VAL 15 N 1.71 0.92 0.66 1.68 -7.23 0.66 -4.78 120.40 114.03 3mbm s VAL 15 Ca 0.06 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 3mbm s VAL 15 Cb -0.16 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3mbm s VAL 15 CO 0.09 -0.62 1.19 -2.84 -0.31 0.00 0.00 175.10 172.60 3mbm s PRO 16 N -3.03 2.59 0.00 4.82 0.02 -1.26 -0.52 135.00 137.62 3mbm s PRO 16 Ca 0.07 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3mbm s PRO 16 Cb -0.01 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.61 3mbm s PRO 16 CO -0.01 -1.47 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 3mbm n GLY 17 N 0.25 0.42 3.18 0.52 0.00 -1.26 -4.82 105.19 103.48 3mbm n GLY 17 Ca 0.13 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 3mbm n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mbm s ARG 18 N -1.73 0.99 0.29 1.61 1.81 -1.26 -5.00 118.95 115.66 3mbm s ARG 18 Ca 0.00 -0.88 -0.30 0.00 -1.72 0.00 0.00 55.73 52.83 3mbm s ARG 18 Cb 0.00 -1.05 -0.11 0.00 -0.45 0.00 0.00 34.95 33.34 3mbm s ARG 18 CO 0.00 0.25 1.57 -2.14 -0.68 0.00 0.00 175.30 174.30 3mbm s PRO 19 N -1.39 4.14 -0.55 3.54 0.02 -1.26 -2.53 135.00 136.96 3mbm s PRO 19 Ca 0.02 2.54 -0.23 0.00 0.02 0.00 0.00 61.00 63.35 3mbm s PRO 19 Cb -0.09 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 31.45 3mbm s PRO 19 CO 0.02 -0.60 0.88 -1.17 -0.33 0.00 0.00 177.00 175.80 3mbm s LEU 20 N -0.53 4.32 -0.24 -5.54 2.96 -1.26 -3.22 118.68 115.17 3mbm s LEU 20 Ca 0.62 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3mbm s LEU 20 Cb -0.47 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.57 3mbm s LEU 20 CO 0.48 -1.18 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.56 3mbm s ILE 21 N 3.69 2.12 -0.06 6.68 1.01 -1.26 -0.72 121.20 132.66 3mbm s ILE 21 Ca 0.26 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.50 3mbm s ILE 21 Cb -0.14 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.20 3mbm s ILE 21 CO 0.17 0.13 -0.09 -0.63 0.00 0.00 0.00 174.94 174.51 3mbm s ILE 22 N 1.16 0.95 -1.67 2.92 1.01 -0.69 -4.12 121.20 120.75 3mbm s ILE 22 Ca -0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 3mbm s ILE 22 Cb -0.18 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.39 3mbm s ILE 22 CO -0.07 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3mbm n GLY 23 N 4.00 -0.44 3.09 6.18 0.00 -1.26 -1.74 105.19 115.02 3mbm n GLY 23 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3mbm n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbm n GLY 24 N -1.02 1.33 3.65 -0.02 0.00 -1.26 -4.44 105.19 103.44 3mbm n GLY 24 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3mbm n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mbm s VAL 25 N -3.58 5.15 -0.36 1.61 1.01 -0.71 -5.04 120.40 118.47 3mbm s VAL 25 Ca 0.00 0.80 -0.28 0.00 0.00 0.00 0.00 61.98 62.50 3mbm s VAL 25 Cb 0.00 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3mbm s VAL 25 CO 0.00 0.19 1.06 -0.89 0.00 0.00 0.00 175.10 175.46 3mbm s THR 26 N 1.63 4.46 -0.21 3.92 2.01 -1.26 -1.70 115.64 124.49 3mbm s THR 26 Ca 0.21 1.52 -0.08 0.00 0.31 0.00 0.00 61.69 63.64 3mbm s THR 26 Cb -0.15 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 3mbm s THR 26 CO 0.09 -0.60 0.08 -0.63 -0.69 0.00 0.00 174.62 172.87 3mbm s ILE 27 N 3.78 4.75 -0.00 1.82 1.01 0.11 -5.02 121.20 127.64 3mbm s ILE 27 Ca 0.44 -0.04 -0.32 0.00 0.00 0.00 0.00 60.65 60.73 3mbm s ILE 27 Cb -0.11 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.08 3mbm s ILE 27 CO 0.19 0.41 1.90 -2.65 0.00 0.00 0.00 174.94 174.80 3mbm n PRO 28 N 4.01 2.53 -3.57 2.79 -0.02 -1.26 -4.35 135.00 135.12 3mbm n PRO 28 Ca -0.16 0.93 -0.11 0.00 -2.02 0.00 0.00 63.50 62.14 3mbm n PRO 28 Cb 0.52 -2.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 3mbm n PRO 28 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3mbm s TYR 29 N 3.96 -0.38 -0.59 6.00 5.04 -1.26 -5.02 117.35 125.10 3mbm s TYR 29 Ca 0.90 0.63 0.25 0.00 -2.44 0.00 0.00 57.07 56.40 3mbm s TYR 29 Cb -0.57 0.45 0.92 0.00 0.35 0.00 0.00 41.96 43.11 3mbm s TYR 29 CO 0.46 -0.35 1.74 0.39 -1.34 0.00 0.00 175.55 176.44 3mbm n GLU 30 N 0.70 0.22 -4.45 4.97 4.71 -1.26 -4.80 120.64 120.72 3mbm n GLU 30 Ca -0.10 0.34 -0.22 0.00 -0.01 0.00 0.00 57.16 57.17 3mbm n GLU 30 Cb 0.58 -1.84 -0.11 0.00 -1.01 0.00 0.00 31.44 29.07 3mbm n GLU 30 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3mbm s ARG 31 N -3.23 1.65 0.36 3.49 0.52 -1.26 -4.16 118.95 116.32 3mbm s ARG 31 Ca 0.07 -1.91 -0.03 0.00 -0.52 0.00 0.00 55.73 53.34 3mbm s ARG 31 Cb 0.11 -0.91 0.01 0.00 0.52 0.00 0.00 34.95 34.67 3mbm s ARG 31 CO 0.47 -0.16 0.52 0.20 0.02 0.00 0.00 175.30 176.34 3mbm s GLY 32 N -3.49 1.47 -0.07 -3.53 0.00 0.32 -3.99 107.32 98.03 3mbm s GLY 32 Ca 0.36 -1.49 -0.19 0.00 0.00 0.00 0.00 44.72 43.40 3mbm s GLY 32 CO 0.15 -0.95 0.52 1.08 0.00 0.00 0.00 173.10 173.90 3mbm s LEU 33 N -3.24 4.33 -0.17 0.66 1.43 -1.20 -0.25 118.68 120.25 3mbm s LEU 33 Ca 0.29 0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 54.15 3mbm s LEU 33 Cb -0.01 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3mbm s LEU 33 CO 0.21 0.05 0.54 -0.22 0.23 0.00 0.00 176.35 177.15 3mbm s LEU 34 N 0.27 4.19 0.13 1.79 2.96 -0.25 -4.72 118.68 123.06 3mbm s LEU 34 Ca 0.28 0.78 -0.24 0.00 -0.22 0.00 0.00 54.13 54.73 3mbm s LEU 34 Cb -0.16 -2.76 0.08 0.00 0.50 0.00 0.00 46.19 43.85 3mbm s LEU 34 CO 0.13 -0.14 1.09 -0.83 -1.32 0.00 0.00 176.35 175.28 3mbm s GLY 35 N 0.99 0.00 0.01 7.98 0.00 -1.26 -4.29 107.32 110.75 3mbm s GLY 35 Ca 0.26 -0.16 -0.21 0.00 0.00 0.00 0.00 44.72 44.61 3mbm s GLY 35 CO 0.11 2.57 1.25 0.84 0.00 0.00 0.00 173.10 177.86 3mbm h HIS 36 N 2.00 0.39 -1.59 1.90 2.76 -1.91 -3.45 115.15 115.26 3mbm h HIS 36 Ca -0.26 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.76 3mbm h HIS 36 Cb 1.21 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.10 3mbm h HIS 36 CO 1.20 0.82 0.00 -1.13 -1.30 0.00 0.00 177.93 177.52 3mbm n SER 37 N -4.52 0.00 0.00 3.26 3.41 -1.24 0.21 113.62 114.74 3mbm n SER 37 Ca -0.07 -0.26 0.06 0.00 -0.26 0.00 0.00 58.87 58.34 3mbm n SER 37 Cb 0.42 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.67 3mbm n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mbm n ASP 38 N -0.77 0.00 -1.23 4.04 5.68 -0.47 -4.33 116.55 119.47 3mbm n ASP 38 Ca 0.00 0.04 -0.11 0.00 -0.50 0.00 0.00 54.79 54.22 3mbm n ASP 38 Cb 0.00 -0.24 -0.01 0.00 -1.14 0.00 0.00 41.12 39.73 3mbm n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mbm n ALA 39 N -1.24 -0.31 -2.23 2.12 0.00 -1.26 -4.70 120.51 112.89 3mbm n ALA 39 Ca 0.06 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 3mbm n ALA 39 Cb 0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3mbm n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mbm s ASP 40 N -2.53 5.61 0.27 0.00 -1.08 -1.26 -4.83 116.67 112.85 3mbm s ASP 40 Ca 0.00 -0.27 -0.03 0.00 -0.52 0.00 0.00 52.55 51.74 3mbm s ASP 40 Cb 0.00 -2.55 0.37 0.00 -1.46 0.00 0.00 42.92 39.28 3mbm s ASP 40 CO 0.00 -2.22 1.86 1.62 0.52 0.00 0.00 175.17 176.96 3mbm h VAL 41 N 6.73 1.23 0.01 1.11 3.04 -1.91 -1.58 116.25 124.88 3mbm h VAL 41 Ca -0.14 -0.68 -0.00 0.00 -1.01 0.00 0.00 66.70 64.87 3mbm h VAL 41 Cb 1.09 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 3mbm h VAL 41 CO 1.26 0.28 -0.00 0.25 -1.01 0.00 0.00 177.57 178.34 3mbm h LEU 42 N 0.97 -0.01 -1.06 3.16 5.85 -1.89 -1.87 115.31 120.45 3mbm h LEU 42 Ca 0.23 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3mbm h LEU 42 Cb 0.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3mbm h LEU 42 CO -0.02 0.44 0.42 -0.07 -0.34 0.00 0.00 178.44 178.87 3mbm h LEU 43 N -0.46 0.96 -0.20 2.25 3.38 -1.88 -1.35 115.31 118.01 3mbm h LEU 43 Ca -0.00 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3mbm h LEU 43 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3mbm h LEU 43 CO 0.00 0.78 0.03 0.45 0.09 0.00 0.00 178.44 179.79 3mbm h HIS 44 N 1.08 0.05 -0.33 1.13 3.86 -1.24 0.17 115.15 119.87 3mbm h HIS 44 Ca 0.27 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.52 3mbm h HIS 44 Cb 0.03 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 3mbm h HIS 44 CO 0.01 0.01 0.17 0.00 0.86 0.00 0.00 177.93 178.97 3mbm h ALA 45 N 1.15 0.40 -0.70 2.45 0.00 -0.92 -0.22 119.26 121.43 3mbm h ALA 45 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mbm h ALA 45 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3mbm h ALA 45 CO -0.13 -0.21 0.34 0.82 0.00 0.00 0.00 179.25 180.07 3mbm h ILE 46 N 0.34 1.23 -0.64 0.00 2.04 -1.07 -1.19 117.51 118.23 3mbm h ILE 46 Ca 0.14 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.38 3mbm h ILE 46 Cb 0.04 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3mbm h ILE 46 CO -0.09 0.27 0.40 0.74 0.00 0.00 0.00 178.15 179.47 3mbm h THR 47 N 0.97 1.09 -0.62 -0.27 2.02 -0.59 -1.05 112.91 114.46 3mbm h THR 47 Ca 0.24 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3mbm h THR 47 Cb 0.11 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 3mbm h THR 47 CO -0.03 0.14 0.16 0.44 0.37 0.00 0.00 175.52 176.60 3mbm h ASP 48 N 0.78 0.94 -0.97 4.18 3.32 -0.75 -0.52 116.42 123.41 3mbm h ASP 48 Ca 0.26 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3mbm h ASP 48 Cb 0.01 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3mbm h ASP 48 CO -0.10 0.93 0.61 0.00 -1.72 0.00 0.00 179.24 178.96 3mbm h ALA 49 N 1.05 1.24 -0.04 3.45 0.00 -0.73 0.16 119.26 124.39 3mbm h ALA 49 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3mbm h ALA 49 Cb 0.35 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3mbm h ALA 49 CO 0.00 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.81 3mbm h LEU 50 N 1.33 0.10 -0.98 0.00 3.38 -0.93 0.46 115.31 118.68 3mbm h LEU 50 Ca 0.35 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.91 3mbm h LEU 50 Cb -0.10 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3mbm h LEU 50 CO -0.07 0.57 0.63 -0.26 0.09 0.00 0.00 178.44 179.40 3mbm h PHE 51 N -0.37 1.15 -0.26 1.13 0.04 -1.02 -2.10 116.94 115.50 3mbm h PHE 51 Ca 0.01 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3mbm h PHE 51 Cb 0.55 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3mbm h PHE 51 CO 0.10 0.54 0.02 0.78 -0.60 0.00 0.00 178.31 179.15 3mbm h GLY 52 N 1.08 0.48 1.45 -1.45 0.00 -0.60 0.40 103.07 104.43 3mbm h GLY 52 Ca 0.45 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.47 3mbm h GLY 52 CO -0.21 0.31 0.33 0.00 0.00 0.00 0.00 176.54 176.97 3mbm h ALA 53 N 0.84 1.71 -0.01 3.60 0.00 -0.62 -1.56 119.26 123.22 3mbm h ALA 53 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3mbm h ALA 53 Cb 0.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mbm h ALA 53 CO 0.01 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3mbm n ALA 54 N -2.47 2.62 -3.93 0.00 0.00 -0.81 -4.63 120.51 111.28 3mbm n ALA 54 Ca 0.05 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.86 3mbm n ALA 54 Cb 0.10 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3mbm n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mbm n ALA 55 N -0.26 -1.70 -0.84 0.00 0.00 -0.59 -4.92 120.51 112.21 3mbm n ALA 55 Ca 0.21 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3mbm n ALA 55 Cb 0.26 -2.71 0.31 0.00 0.00 0.00 0.00 19.45 17.31 3mbm n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mbm n LEU 56 N -4.44 4.47 0.00 0.00 4.77 0.06 -5.03 117.00 116.83 3mbm n LEU 56 Ca -0.15 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 3mbm n LEU 56 Cb 0.61 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3mbm n LEU 56 CO 0.75 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 3mbm n GLY 57 N 0.14 1.04 3.67 -0.72 0.00 -1.26 -4.96 105.19 103.11 3mbm n GLY 57 Ca 0.23 -0.90 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 3mbm n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mbm s ASP 58 N -4.00 -0.16 0.32 1.61 1.47 -1.26 -4.00 116.67 110.65 3mbm s ASP 58 Ca 0.00 -0.79 0.12 0.00 1.18 0.00 0.00 52.55 53.06 3mbm s ASP 58 Cb 0.00 0.63 0.54 0.00 -0.34 0.00 0.00 42.92 43.75 3mbm s ASP 58 CO 0.00 -1.20 1.72 -0.29 0.68 0.00 0.00 175.17 176.08 3mbm h ILE 59 N 2.17 1.34 -0.48 2.11 2.10 -1.91 -1.56 117.51 121.27 3mbm h ILE 59 Ca -0.24 -1.70 0.05 0.00 1.08 0.00 0.00 64.86 64.05 3mbm h ILE 59 Cb 1.25 1.92 -0.03 0.00 -1.09 0.00 0.00 36.82 38.87 3mbm h ILE 59 CO 0.31 0.48 0.32 1.23 -1.08 0.00 0.00 178.15 179.42 3mbm h GLY 60 N 1.51 0.55 0.00 8.18 0.00 -1.97 0.15 103.07 111.49 3mbm h GLY 60 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3mbm h GLY 60 CO 0.06 0.15 -0.01 -0.09 0.00 0.00 0.00 176.54 176.66 3mbm h ARG 61 N 0.46 0.00 -0.39 4.80 2.43 -1.84 -3.27 114.38 116.58 3mbm h ARG 61 Ca 0.21 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 3mbm h ARG 61 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3mbm h ARG 61 CO -0.05 0.98 -0.29 0.45 -1.51 0.00 0.00 179.97 179.54 3mbm h HIS 62 N -1.00 1.04 -2.11 2.20 3.86 -1.18 -3.38 115.15 114.58 3mbm h HIS 62 Ca -0.00 -0.29 -0.58 0.00 -1.16 0.00 0.00 60.37 58.34 3mbm h HIS 62 Cb 0.98 -0.23 -0.41 0.00 1.06 0.00 0.00 27.41 28.81 3mbm h HIS 62 CO 0.27 1.09 -0.83 1.19 0.86 0.00 0.00 177.93 180.51 3mbm n PHE 63 N -4.15 1.95 -1.98 2.45 3.72 0.50 -5.09 117.46 114.85 3mbm n PHE 63 Ca -0.02 -3.90 -0.42 0.00 -0.05 0.00 0.00 57.45 53.07 3mbm n PHE 63 Cb 0.49 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 3mbm n PHE 63 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3mbm s SER 64 N -2.07 6.63 0.00 4.37 0.15 -1.23 -4.68 113.70 116.86 3mbm s SER 64 Ca 0.39 2.63 0.20 0.00 0.70 0.00 0.00 55.95 59.86 3mbm s SER 64 Cb 0.18 -2.61 1.14 0.00 -1.71 0.00 0.00 66.02 63.03 3mbm s SER 64 CO -0.06 -0.76 1.58 -0.90 1.20 0.00 0.00 173.24 174.30 3mbm n ASP 65 N 3.16 0.00 -0.03 5.45 5.68 -1.26 -1.65 116.55 127.90 3mbm n ASP 65 Ca 0.10 -0.50 0.11 0.00 -0.50 0.00 0.00 54.79 54.00 3mbm n ASP 65 Cb 0.40 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3mbm n ASP 65 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3mbm n THR 66 N -1.06 0.00 -3.34 2.12 -2.24 -1.26 -4.90 114.28 103.60 3mbm n THR 66 Ca 0.14 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.51 3mbm n THR 66 Cb 0.09 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 3mbm n THR 66 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mbm s ASP 67 N -2.96 6.37 0.40 3.42 -1.08 -0.66 -4.97 116.67 117.18 3mbm s ASP 67 Ca 0.10 0.43 0.28 0.00 -0.52 0.00 0.00 52.55 52.84 3mbm s ASP 67 Cb 0.17 -2.24 1.40 0.00 -1.46 0.00 0.00 42.92 40.78 3mbm s ASP 67 CO 0.80 -0.18 1.85 1.55 0.52 0.00 0.00 175.17 179.71 3mbm h PRO 68 N 7.88 0.00 0.00 4.34 0.13 -1.92 -2.61 132.00 139.83 3mbm h PRO 68 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3mbm h PRO 68 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3mbm h PRO 68 CO 0.69 0.00 -0.03 0.07 -0.23 0.00 0.00 178.00 178.50 3mbm h ARG 69 N 0.00 0.00 -0.65 0.86 0.11 -1.93 -2.48 114.38 110.29 3mbm h ARG 69 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3mbm h ARG 69 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3mbm h ARG 69 CO 0.00 0.03 0.00 1.19 0.10 0.00 0.00 179.97 181.29 3mbm n PHE 70 N -3.16 0.86 -1.94 4.08 3.72 -0.98 -4.76 117.46 115.27 3mbm n PHE 70 Ca -0.00 -0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 56.54 3mbm n PHE 70 Cb 0.26 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 3mbm n PHE 70 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3mbm s LYS 71 N -1.14 4.20 -0.35 -1.08 3.01 -0.94 -1.40 119.74 122.04 3mbm s LYS 71 Ca 0.46 2.31 0.00 0.00 -1.01 0.00 0.00 55.97 57.72 3mbm s LYS 71 Cb 0.24 -3.63 0.00 0.00 -1.01 0.00 0.00 37.83 33.43 3mbm s LYS 71 CO 0.32 -0.74 0.00 0.41 0.51 0.00 0.00 175.35 175.85 3mbm n GLY 72 N 4.00 0.46 3.62 -3.33 0.00 0.13 -4.90 105.19 105.16 3mbm n GLY 72 Ca 0.16 -0.07 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 3mbm n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mbm n ALA 73 N 1.06 0.19 -2.01 4.61 0.00 -0.50 -4.25 120.51 119.62 3mbm n ALA 73 Ca -0.03 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.40 3mbm n ALA 73 Cb 0.38 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 3mbm n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3mbm s ASP 74 N 0.02 6.06 0.45 0.00 -1.08 -1.26 -1.37 116.67 119.49 3mbm s ASP 74 Ca 0.68 1.49 0.31 0.00 -0.52 0.00 0.00 52.55 54.51 3mbm s ASP 74 Cb -0.73 -2.53 1.36 0.00 -1.46 0.00 0.00 42.92 39.56 3mbm s ASP 74 CO 0.53 -1.54 1.92 0.28 0.52 0.00 0.00 175.17 176.88 3mbm h SER 75 N 12.14 0.00 -0.30 -0.34 0.02 -1.96 -2.04 113.55 121.07 3mbm h SER 75 Ca -0.35 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.47 3mbm h SER 75 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3mbm h SER 75 CO 1.01 0.00 -0.32 0.03 -1.14 0.00 0.00 176.83 176.42 3mbm h ARG 76 N 0.00 0.75 -0.83 3.45 3.08 -1.98 -0.76 114.38 118.09 3mbm h ARG 76 Ca 0.00 -0.40 0.09 0.00 0.07 0.00 0.00 59.98 59.74 3mbm h ARG 76 Cb 0.36 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 3mbm h ARG 76 CO 0.00 1.02 0.48 0.00 -1.07 0.00 0.00 179.97 180.40 3mbm h ALA 77 N 0.71 1.18 -0.67 0.04 0.00 -1.79 -0.24 119.26 118.48 3mbm h ALA 77 Ca 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3mbm h ALA 77 Cb 0.89 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3mbm h ALA 77 CO 0.08 0.11 0.18 -0.07 0.00 0.00 0.00 179.25 179.55 3mbm h LEU 78 N 0.81 1.00 -0.66 0.00 3.38 -1.33 -1.08 115.31 117.43 3mbm h LEU 78 Ca 0.40 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 3mbm h LEU 78 Cb 0.35 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3mbm h LEU 78 CO -0.24 0.97 -0.01 0.25 0.09 0.00 0.00 178.44 179.49 3mbm h LEU 79 N 0.99 1.01 -0.85 1.67 5.85 -0.65 0.04 115.31 123.38 3mbm h LEU 79 Ca 0.21 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3mbm h LEU 79 Cb 0.34 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3mbm h LEU 79 CO -0.00 1.07 -0.14 0.03 -0.34 0.00 0.00 178.44 179.05 3mbm h ARG 80 N 0.94 0.70 -0.49 1.25 3.08 -0.85 0.14 114.38 119.16 3mbm h ARG 80 Ca 0.17 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 3mbm h ARG 80 Cb 0.56 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3mbm h ARG 80 CO 0.03 0.81 -0.15 1.49 -1.07 0.00 0.00 179.97 181.09 3mbm h GLU 81 N 0.63 0.96 -0.03 0.04 4.57 -0.66 -1.89 114.58 118.19 3mbm h GLU 81 Ca 0.10 -0.38 0.03 0.00 -1.18 0.00 0.00 59.36 57.93 3mbm h GLU 81 Cb 0.61 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 3mbm h GLU 81 CO 0.04 1.05 -0.17 0.00 -1.18 0.00 0.00 179.01 178.75 3mbm h ALA 83 N 0.68 1.76 -0.41 0.00 0.00 -0.86 0.92 119.26 121.35 3mbm h ALA 83 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3mbm h ALA 83 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mbm h ALA 83 CO -0.19 0.05 -0.28 0.66 0.00 0.00 0.00 179.25 179.48 3mbm h SER 84 N 0.75 0.96 -0.27 0.00 4.64 -0.64 -0.54 113.55 118.44 3mbm h SER 84 Ca 0.41 -0.43 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 3mbm h SER 84 Cb 0.54 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3mbm h SER 84 CO -0.17 1.18 -0.34 0.03 -0.87 0.00 0.00 176.83 176.66 3mbm h ARG 85 N 0.73 0.80 -0.39 4.77 3.08 -0.12 0.71 114.38 123.96 3mbm h ARG 85 Ca 0.08 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3mbm h ARG 85 Cb 0.86 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 3mbm h ARG 85 CO 0.08 1.02 0.24 0.28 -1.07 0.00 0.00 179.97 180.52 3mbm h VAL 86 N 0.67 1.11 -0.72 2.04 2.07 -0.76 0.00 116.25 120.67 3mbm h VAL 86 Ca 0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3mbm h VAL 86 Cb 0.89 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3mbm h VAL 86 CO 0.08 0.11 0.46 0.00 0.02 0.00 0.00 177.57 178.24 3mbm h ALA 87 N 1.12 0.91 0.00 1.67 0.00 -0.93 -1.97 119.26 120.06 3mbm h ALA 87 Ca 0.14 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3mbm h ALA 87 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3mbm h ALA 87 CO -0.03 0.35 -0.33 0.37 0.00 0.00 0.00 179.25 179.61 3mbm h GLN 88 N 0.97 0.00 0.00 0.00 5.75 -0.33 -0.16 115.11 121.34 3mbm h GLN 88 Ca 0.26 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 3mbm h GLN 88 Cb -0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.46 3mbm h GLN 88 CO -0.05 0.33 0.00 0.00 -2.65 0.00 0.00 178.83 176.46 3mbm n ALA 89 N -2.44 1.83 0.00 3.38 0.00 -0.06 -4.91 120.51 118.31 3mbm n ALA 89 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3mbm n ALA 89 Cb 0.38 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3mbm n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mbm n GLY 90 N 0.36 1.22 3.80 0.00 0.00 -0.07 -5.09 105.19 105.41 3mbm n GLY 90 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3mbm n GLY 90 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mbm s PHE 91 N -2.00 3.36 -0.10 1.61 0.08 -0.76 -4.46 117.98 115.71 3mbm s PHE 91 Ca 0.00 0.29 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 3mbm s PHE 91 Cb 0.00 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 3mbm s PHE 91 CO 0.00 0.59 -0.02 0.00 -0.10 0.00 0.00 175.22 175.69 3mbm s ALA 92 N -1.11 3.18 -0.00 5.36 0.00 0.07 -3.71 121.76 125.55 3mbm s ALA 92 Ca 0.20 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 51.10 3mbm s ALA 92 Cb -0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 3mbm s ALA 92 CO 0.10 0.48 0.73 0.42 0.00 0.00 0.00 175.76 177.49 3mbm s ILE 93 N -0.53 4.88 -0.24 0.00 1.01 -1.26 -0.81 121.20 124.24 3mbm s ILE 93 Ca 0.09 1.54 -0.04 0.00 0.00 0.00 0.00 60.65 62.24 3mbm s ILE 93 Cb -0.12 -4.08 -0.14 0.00 0.01 0.00 0.00 42.46 38.14 3mbm s ILE 93 CO 0.02 0.32 -0.26 0.54 0.00 0.00 0.00 174.94 175.56 3mbm n ARG 94 N 3.22 0.57 -3.56 2.79 5.12 0.45 -4.96 116.66 120.30 3mbm n ARG 94 Ca -0.02 0.18 -0.10 0.00 -1.93 0.00 0.00 57.85 55.98 3mbm n ARG 94 Cb 0.51 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.34 3mbm n ARG 94 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3mbm s ASN 95 N -6.69 -0.44 -0.02 0.55 4.22 -1.09 -4.85 114.94 106.62 3mbm s ASN 95 Ca -0.33 -0.17 0.02 0.00 -2.14 0.00 0.00 52.86 50.24 3mbm s ASN 95 Cb 0.10 0.60 0.00 0.00 1.28 0.00 0.00 41.25 43.23 3mbm s ASN 95 CO 0.51 -1.01 -0.08 -0.69 -2.04 0.00 0.00 177.10 173.79 3mbm s VAL 96 N -3.68 0.68 0.11 3.54 1.01 -0.60 -1.69 120.40 119.78 3mbm s VAL 96 Ca 0.05 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3mbm s VAL 96 Cb -0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3mbm s VAL 96 CO -0.07 0.21 -0.13 -0.62 0.00 0.00 0.00 175.10 174.49 3mbm s ASP 97 N 0.07 1.83 0.17 3.32 2.15 -0.10 -1.42 116.67 122.69 3mbm s ASP 97 Ca -0.01 -0.79 -0.23 0.00 0.43 0.00 0.00 52.55 51.94 3mbm s ASP 97 Cb -0.06 -0.05 0.06 0.00 -0.30 0.00 0.00 42.92 42.57 3mbm s ASP 97 CO 0.00 -0.17 0.68 -0.94 -0.17 0.00 0.00 175.17 174.57 3mbm s SER 98 N -2.39 -0.46 -0.01 -0.34 1.04 -0.86 -0.52 113.70 110.16 3mbm s SER 98 Ca 0.07 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.35 3mbm s SER 98 Cb -0.05 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.67 3mbm s SER 98 CO 0.02 -1.01 -0.03 -0.89 0.98 0.00 0.00 173.24 172.31 3mbm s THR 99 N -3.69 0.29 -0.10 2.02 2.01 0.21 -1.07 115.64 115.31 3mbm s THR 99 Ca 0.04 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 3mbm s THR 99 Cb -0.02 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.19 3mbm s THR 99 CO -0.07 0.10 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.24 3mbm s ILE 100 N 0.10 3.52 -0.22 1.82 1.01 0.08 -0.42 121.20 127.09 3mbm s ILE 100 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3mbm s ILE 100 Cb -0.04 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3mbm s ILE 100 CO -0.00 0.55 -0.11 -0.63 0.00 0.00 0.00 174.94 174.75 3mbm s ILE 101 N -0.22 2.60 -0.19 2.92 1.01 0.44 -1.06 121.20 126.70 3mbm s ILE 101 Ca 0.02 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 3mbm s ILE 101 Cb -0.13 -2.26 0.06 0.00 0.01 0.00 0.00 42.46 40.14 3mbm s ILE 101 CO 0.03 0.31 0.50 0.00 0.00 0.00 0.00 174.94 175.78 3mbm s ALA 102 N 1.31 -1.27 0.25 9.38 0.00 -0.55 -2.22 121.76 128.67 3mbm s ALA 102 Ca 0.01 1.58 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 3mbm s ALA 102 Cb -0.16 -0.93 0.30 0.00 0.00 0.00 0.00 23.12 22.34 3mbm s ALA 102 CO -0.07 -0.26 1.73 0.37 0.00 0.00 0.00 175.76 177.53 3mbm h GLN 103 N 6.06 0.79 -2.41 0.00 -0.00 -1.85 -3.37 115.11 114.33 3mbm h GLN 103 Ca -0.30 -0.23 0.11 0.00 -0.00 0.00 0.00 58.65 58.22 3mbm h GLN 103 Cb 1.18 -0.08 -0.13 0.00 0.00 0.00 0.00 27.48 28.45 3mbm h GLN 103 CO 0.22 0.83 0.45 0.00 0.00 0.00 0.00 178.83 180.32 3mbm s ALA 104 N -4.91 -1.73 1.12 3.38 0.00 -1.26 -4.84 121.76 113.51 3mbm s ALA 104 Ca -0.09 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.39 3mbm s ALA 104 Cb 0.14 0.55 0.23 0.00 0.00 0.00 0.00 23.12 24.04 3mbm s ALA 104 CO 0.82 -0.80 1.03 -0.35 0.00 0.00 0.00 175.76 176.46 3mbm n PRO 105 N -0.32 -2.05 -2.00 0.00 -0.04 -1.26 -5.05 135.00 124.27 3mbm n PRO 105 Ca -0.09 -1.61 -0.42 0.00 -0.04 0.00 0.00 63.50 61.33 3mbm n PRO 105 Cb 0.62 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 3mbm n PRO 105 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mbm s LYS 106 N -5.29 4.19 0.04 0.54 -0.14 -1.26 -4.90 119.74 112.93 3mbm s LYS 106 Ca 0.62 2.21 0.20 0.00 -1.36 0.00 0.00 55.97 57.64 3mbm s LYS 106 Cb -0.04 -3.87 -0.16 0.00 -1.68 0.00 0.00 37.83 32.07 3mbm s LYS 106 CO 0.46 -0.80 0.70 1.28 -0.76 0.00 0.00 175.35 176.23 3mbm n LEU 107 N 6.66 0.55 -0.30 3.17 4.77 -1.26 -4.50 117.00 126.09 3mbm n LEU 107 Ca 0.17 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 3mbm n LEU 107 Cb 0.42 0.08 0.29 0.00 -2.33 0.00 0.00 43.42 41.88 3mbm n LEU 107 CO 0.62 0.07 1.02 0.00 -1.33 0.00 0.00 177.39 177.77 3mbm h ALA 108 N 1.65 1.37 0.00 -1.18 0.00 -1.99 0.33 119.26 119.44 3mbm h ALA 108 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mbm h ALA 108 Cb 1.38 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3mbm h ALA 108 CO 0.02 -0.36 0.00 -2.30 0.00 0.00 0.00 179.25 176.61 3mbm n PRO 109 N -5.08 0.01 0.00 0.00 -0.02 -1.26 -2.71 135.00 125.94 3mbm n PRO 109 Ca 0.21 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 62.07 3mbm n PRO 109 Cb 0.64 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.61 3mbm n PRO 109 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3mbm n HIS 110 N -1.49 0.00 -0.16 6.00 8.25 0.08 -4.73 115.22 123.17 3mbm n HIS 110 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3mbm n HIS 110 Cb 0.11 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.22 3mbm n HIS 110 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3mbm h ILE 111 N 0.75 1.26 -0.49 1.59 1.08 -1.28 -1.71 117.51 118.70 3mbm h ILE 111 Ca 0.00 -1.10 -0.04 0.00 -0.39 0.00 0.00 64.86 63.33 3mbm h ILE 111 Cb 0.27 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 3mbm h ILE 111 CO 0.00 0.38 0.12 0.44 -0.69 0.00 0.00 178.15 178.40 3mbm h ASP 112 N 0.70 0.69 -0.08 1.72 3.32 -1.85 -0.44 116.42 120.47 3mbm h ASP 112 Ca 0.13 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 3mbm h ASP 112 Cb 0.54 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3mbm h ASP 112 CO 0.03 0.68 -0.33 0.00 -1.72 0.00 0.00 179.24 177.90 3mbm h ALA 113 N 1.41 0.93 -0.09 3.45 0.00 -1.77 -1.44 119.26 121.75 3mbm h ALA 113 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3mbm h ALA 113 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mbm h ALA 113 CO -0.00 0.62 0.03 0.52 0.00 0.00 0.00 179.25 180.42 3mbm h MET 114 N 0.49 0.13 -0.55 0.00 2.86 -0.44 -2.24 114.93 115.17 3mbm h MET 114 Ca 0.06 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 3mbm h MET 114 Cb 0.81 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.37 3mbm h MET 114 CO 0.07 0.26 0.13 0.00 1.06 0.00 0.00 176.91 178.43 3mbm h ARG 115 N -0.03 0.26 -0.93 1.72 3.08 -1.02 -1.03 114.38 116.44 3mbm h ARG 115 Ca 0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3mbm h ARG 115 Cb 0.18 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 3mbm h ARG 115 CO -0.00 0.17 0.61 0.00 -1.07 0.00 0.00 179.97 179.68 3mbm h ALA 116 N 1.43 1.33 -0.29 0.04 0.00 -1.14 -0.49 119.26 120.13 3mbm h ALA 116 Ca 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3mbm h ALA 116 Cb 0.39 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3mbm h ALA 116 CO -0.35 0.62 -0.05 -0.91 0.00 0.00 0.00 179.25 178.56 3mbm h ASN 117 N 1.26 0.55 -0.40 0.00 2.35 -0.88 -1.28 115.58 117.18 3mbm h ASN 117 Ca 0.34 -0.35 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3mbm h ASN 117 Cb -0.14 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3mbm h ASN 117 CO -0.07 0.77 0.12 0.40 -1.65 0.00 0.00 177.43 177.00 3mbm h ILE 118 N 0.32 1.22 -0.56 2.81 2.04 -1.00 -0.54 117.51 121.80 3mbm h ILE 118 Ca 0.08 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3mbm h ILE 118 Cb 0.52 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3mbm h ILE 118 CO 0.02 0.25 0.29 0.00 0.00 0.00 0.00 178.15 178.72 3mbm h ALA 119 N 0.97 0.72 -0.52 1.87 0.00 -1.07 -0.80 119.26 120.42 3mbm h ALA 119 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3mbm h ALA 119 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3mbm h ALA 119 CO -0.00 -0.05 0.22 0.00 0.00 0.00 0.00 179.25 179.41 3mbm h ALA 120 N 1.30 0.68 -0.03 0.00 0.00 -0.97 0.39 119.26 120.63 3mbm h ALA 120 Ca 0.25 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3mbm h ALA 120 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3mbm h ALA 120 CO -0.17 0.28 -0.54 -0.44 0.00 0.00 0.00 179.25 178.37 3mbm h ASP 121 N 0.70 0.09 -0.04 0.00 3.32 -0.64 -2.74 116.42 117.11 3mbm h ASP 121 Ca 0.18 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3mbm h ASP 121 Cb 0.18 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3mbm h ASP 121 CO -0.02 0.62 0.00 0.18 -1.72 0.00 0.00 179.24 178.30 3mbm n LEU 122 N -3.90 2.30 -3.87 1.55 4.77 -0.35 -4.57 117.00 112.93 3mbm n LEU 122 Ca -0.02 -0.78 -0.26 0.00 -0.03 0.00 0.00 56.01 54.92 3mbm n LEU 122 Cb 0.56 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3mbm n LEU 122 CO 0.42 0.39 -0.18 -0.67 -1.33 0.00 0.00 177.39 176.02 3mbm n ASP 123 N 0.80 -1.36 -4.53 -1.43 2.03 -0.36 -4.96 116.55 106.73 3mbm n ASP 123 Ca 0.16 -0.99 -0.28 0.00 0.52 0.00 0.00 54.79 54.21 3mbm n ASP 123 Cb 0.48 -3.21 -0.10 0.00 -0.72 0.00 0.00 41.12 37.57 3mbm n ASP 123 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3mbm s LEU 124 N -6.85 2.85 0.69 -2.67 1.43 -0.02 -5.04 118.68 109.08 3mbm s LEU 124 Ca 0.09 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 3mbm s LEU 124 Cb -0.04 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3mbm s LEU 124 CO 0.88 0.13 1.18 -2.16 0.23 0.00 0.00 176.35 176.61 3mbm s PRO 125 N -2.55 2.42 0.44 1.29 0.04 -1.26 -4.48 135.00 130.89 3mbm s PRO 125 Ca 0.22 1.68 0.17 0.00 0.04 0.00 0.00 61.00 63.11 3mbm s PRO 125 Cb -0.09 -1.88 1.10 0.00 0.04 0.00 0.00 34.50 33.67 3mbm s PRO 125 CO 0.13 -1.60 1.93 -0.07 0.04 0.00 0.00 177.00 177.43 3mbm h LEU 126 N -0.04 0.34 0.00 -3.56 3.38 -1.93 -2.15 115.31 111.35 3mbm h LEU 126 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3mbm h LEU 126 Cb 1.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3mbm h LEU 126 CO 0.52 0.18 0.00 -0.90 0.09 0.00 0.00 178.44 178.32 3mbm n ASP 127 N -4.46 0.00 -0.69 -0.43 5.68 -1.26 -2.04 116.55 113.35 3mbm n ASP 127 Ca 0.14 -0.31 0.06 0.00 -0.50 0.00 0.00 54.79 54.18 3mbm n ASP 127 Cb 0.54 -0.11 0.17 0.00 -1.14 0.00 0.00 41.12 40.59 3mbm n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3mbm n ARG 128 N -1.11 2.89 -4.47 0.11 1.74 -0.81 -4.97 116.66 110.05 3mbm n ARG 128 Ca 0.11 -2.19 -0.23 0.00 -0.77 0.00 0.00 57.85 54.77 3mbm n ARG 128 Cb 0.09 -1.37 -0.16 0.00 -1.02 0.00 0.00 32.46 29.99 3mbm n ARG 128 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mbm s VAL 129 N -1.31 0.95 -0.00 1.55 1.01 -0.86 -1.56 120.40 120.17 3mbm s VAL 129 Ca 0.26 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3mbm s VAL 129 Cb 0.16 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 3mbm s VAL 129 CO 0.15 0.31 -0.04 0.21 0.00 0.00 0.00 175.10 175.73 3mbm s ASN 130 N 0.64 0.49 -0.05 3.32 2.47 -0.50 -4.97 114.94 116.34 3mbm s ASN 130 Ca -0.12 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.10 3mbm s ASN 130 Cb -0.14 -0.07 0.02 0.00 -1.45 0.00 0.00 41.25 39.61 3mbm s ASN 130 CO 0.02 0.04 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.69 3mbm s VAL 131 N -0.04 0.74 0.10 -5.21 1.01 -1.26 -2.03 120.40 113.71 3mbm s VAL 131 Ca 0.01 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.84 3mbm s VAL 131 Cb -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3mbm s VAL 131 CO -0.00 0.27 -0.27 -0.54 0.00 0.00 0.00 175.10 174.56 3mbm s LYS 132 N 0.80 1.53 -0.03 2.72 1.02 -0.23 -4.98 119.74 120.57 3mbm s LYS 132 Ca -0.13 -1.26 0.07 0.00 0.02 0.00 0.00 55.97 54.67 3mbm s LYS 132 Cb -0.15 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 3mbm s LYS 132 CO 0.02 0.47 -0.23 0.00 -0.92 0.00 0.00 175.35 174.69 3mbm s ALA 133 N -0.97 2.31 -0.01 5.17 0.00 -1.26 -0.74 121.76 126.26 3mbm s ALA 133 Ca 0.13 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3mbm s ALA 133 Cb -0.10 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 3mbm s ALA 133 CO 0.05 0.53 0.05 0.15 0.00 0.00 0.00 175.76 176.54 3mbm s LYS 134 N -0.63 0.23 0.74 0.00 -0.14 -0.22 -4.95 119.74 114.77 3mbm s LYS 134 Ca 0.10 -0.22 -0.07 0.00 -1.36 0.00 0.00 55.97 54.43 3mbm s LYS 134 Cb -0.10 0.09 0.10 0.00 -1.68 0.00 0.00 37.83 36.24 3mbm s LYS 134 CO -0.00 -0.04 1.05 0.95 -0.76 0.00 0.00 175.35 176.54 3mbm s THR 135 N -0.70 2.22 -0.27 2.17 -4.23 -1.26 -1.48 115.64 112.09 3mbm s THR 135 Ca -0.08 -0.30 0.13 0.00 -1.18 0.00 0.00 61.69 60.25 3mbm s THR 135 Cb -0.05 -2.92 0.74 0.00 1.34 0.00 0.00 72.50 71.62 3mbm s THR 135 CO 0.00 0.00 1.72 -3.20 -0.54 0.00 0.00 174.62 172.60 3mbm n ASN 136 N -3.02 5.03 -4.07 3.99 5.15 -1.26 -4.81 115.26 116.27 3mbm n ASN 136 Ca 0.10 -3.09 -0.31 0.00 -0.60 0.00 0.00 54.58 50.68 3mbm n ASN 136 Cb 0.60 -0.69 -0.02 0.00 -0.53 0.00 0.00 39.78 39.15 3mbm n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3mbm n GLU 137 N 0.09 -3.54 -1.00 1.20 -0.58 -1.26 -1.65 120.64 113.89 3mbm n GLU 137 Ca 0.32 0.42 -0.00 0.00 -0.42 0.00 0.00 57.16 57.48 3mbm n GLU 137 Cb 1.23 -4.91 -0.00 0.00 -0.57 0.00 0.00 31.44 27.19 3mbm n GLU 137 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3mbm n LYS 138 N -4.43 -1.08 -3.53 3.49 5.02 -1.26 -5.00 118.16 111.37 3mbm n LYS 138 Ca -0.10 0.28 -0.37 0.00 -2.02 0.00 0.00 58.31 56.10 3mbm n LYS 138 Cb 0.58 -4.09 -0.06 0.00 -0.02 0.00 0.00 35.03 31.44 3mbm n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mbm s LEU 139 N -0.04 4.37 0.00 -0.35 1.43 -0.66 -4.58 118.68 118.86 3mbm s LEU 139 Ca 0.00 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3mbm s LEU 139 Cb 0.00 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3mbm s LEU 139 CO 0.00 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3mbm n GLY 140 N 2.47 -1.43 0.27 -3.19 0.00 -1.26 -1.16 105.19 100.90 3mbm n GLY 140 Ca -0.13 -1.22 0.09 0.00 0.00 0.00 0.00 46.02 44.77 3mbm n GLY 140 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3mbm h TYR 141 N 0.00 0.00 -0.27 1.61 -0.00 -1.97 -0.66 116.97 115.68 3mbm h TYR 141 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.63 3mbm h TYR 141 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 3mbm h TYR 141 CO 0.00 0.00 -0.23 -0.07 -0.00 0.00 0.00 178.16 177.86 3mbm h LEU 142 N 0.00 0.67 -1.90 0.10 3.38 -1.84 -1.31 115.31 114.42 3mbm h LEU 142 Ca 0.02 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3mbm h LEU 142 Cb 0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3mbm h LEU 142 CO -0.00 0.99 -0.12 1.23 0.09 0.00 0.00 178.44 180.62 3mbm h GLY 143 N 0.37 0.00 0.41 0.83 0.00 0.19 -1.01 103.07 103.86 3mbm h GLY 143 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3mbm h GLY 143 CO 0.06 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 177.11 3mbm n ARG 144 N -3.93 1.18 -2.06 4.80 1.74 -0.39 -4.73 116.66 113.28 3mbm n ARG 144 Ca -0.02 -0.43 -0.10 0.00 -0.77 0.00 0.00 57.85 56.53 3mbm n ARG 144 Cb 0.22 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3mbm n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mbm n GLY 145 N 1.13 0.13 0.15 -0.13 0.00 -0.38 -4.93 105.19 101.15 3mbm n GLY 145 Ca 0.20 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.79 3mbm n GLY 145 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mbm h GLU 146 N 0.00 0.00 -3.08 1.61 5.08 -1.45 -3.43 114.58 113.31 3mbm h GLU 146 Ca -0.22 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3mbm h GLU 146 Cb 1.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 3mbm h GLU 146 CO 0.27 0.20 0.20 0.20 -1.00 0.00 0.00 179.01 178.88 3mbm s GLY 147 N -4.43 0.07 -0.01 -3.84 0.00 -1.26 -0.99 107.32 96.87 3mbm s GLY 147 Ca 0.03 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.35 3mbm s GLY 147 CO 0.75 -0.19 -0.19 -0.42 0.00 0.00 0.00 173.10 173.04 3mbm s ILE 148 N -3.65 1.51 0.12 0.90 1.01 -0.70 -4.68 121.20 115.70 3mbm s ILE 148 Ca 0.13 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 60.03 3mbm s ILE 148 Cb -0.05 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3mbm s ILE 148 CO 0.08 0.40 -0.17 -0.70 0.00 0.00 0.00 174.94 174.56 3mbm s GLU 149 N -0.50 1.84 0.04 2.79 2.12 -0.94 -2.24 118.70 121.80 3mbm s GLU 149 Ca 0.07 -1.16 0.03 0.00 0.36 0.00 0.00 54.97 54.28 3mbm s GLU 149 Cb -0.07 -2.15 -0.02 0.00 0.26 0.00 0.00 34.13 32.15 3mbm s GLU 149 CO -0.01 0.48 -0.11 0.00 -0.54 0.00 0.00 175.26 175.09 3mbm s ALA 150 N -1.17 0.85 0.07 6.30 0.00 0.02 -0.42 121.76 127.42 3mbm s ALA 150 Ca 0.19 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.48 3mbm s ALA 150 Cb -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3mbm s ALA 150 CO 0.11 0.11 -0.21 -0.65 0.00 0.00 0.00 175.76 175.12 3mbm s GLN 151 N -1.24 1.29 0.05 0.00 -0.21 0.44 -1.26 119.66 118.72 3mbm s GLN 151 Ca -0.03 -1.05 -0.04 0.00 0.02 0.00 0.00 55.36 54.26 3mbm s GLN 151 Cb -0.08 -1.48 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 3mbm s GLN 151 CO 0.01 0.36 0.05 0.00 -2.12 0.00 0.00 175.29 173.60 3mbm s ALA 152 N -0.96 0.14 0.02 6.09 0.00 -0.09 -0.62 121.76 126.33 3mbm s ALA 152 Ca 0.07 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3mbm s ALA 152 Cb -0.09 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3mbm s ALA 152 CO 0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 175.76 175.36 3mbm s ALA 153 N -3.21 0.57 0.00 0.00 0.00 0.32 -0.86 121.76 118.59 3mbm s ALA 153 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.48 3mbm s ALA 153 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3mbm s ALA 153 CO -0.07 0.08 -0.03 0.00 0.00 0.00 0.00 175.76 175.74 3mbm s ALA 154 N -0.65 0.19 -0.14 0.00 0.00 -0.58 -0.92 121.76 119.65 3mbm s ALA 154 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 3mbm s ALA 154 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3mbm s ALA 154 CO 0.00 0.01 -0.11 -1.17 0.00 0.00 0.00 175.76 174.49 3mbm s LEU 155 N -0.33 2.82 0.29 0.00 2.96 -0.68 -0.89 118.68 122.85 3mbm s LEU 155 Ca -0.02 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3mbm s LEU 155 Cb -0.03 -1.65 -0.06 0.00 0.50 0.00 0.00 46.19 44.96 3mbm s LEU 155 CO -0.00 0.16 0.00 0.68 -1.32 0.00 0.00 176.35 175.87 3mbm s VAL 156 N 0.39 1.33 -0.02 1.68 -7.23 -0.56 -0.41 120.40 115.57 3mbm s VAL 156 Ca -0.09 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 3mbm s VAL 156 Cb -0.16 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.22 3mbm s VAL 156 CO 0.05 -0.17 -0.02 0.54 -0.31 0.00 0.00 175.10 175.19 3mbm s VAL 157 N -3.21 0.24 -2.00 1.32 0.11 0.01 -1.55 120.40 115.32 3mbm s VAL 157 Ca 0.32 -0.01 0.27 0.00 -2.93 0.00 0.00 61.98 59.64 3mbm s VAL 157 Cb 0.06 -0.29 0.78 0.00 -1.53 0.00 0.00 36.38 35.41 3mbm s VAL 157 CO 0.13 0.13 1.98 -1.14 -3.33 0.00 0.00 175.10 172.87