#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mlg s VAL 1 N 0.00 -0.64 0.31 3.17 1.01 -1.26 -5.05 120.40 117.94 1mlg s VAL 1 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 1mlg s VAL 1 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.60 1mlg s VAL 1 CO 0.00 0.06 0.80 -0.76 0.00 0.00 0.00 175.10 175.20 1mlg s LEU 2 N 2.56 4.16 1.08 3.92 1.02 -1.26 -5.07 118.68 125.10 1mlg s LEU 2 Ca -0.02 1.48 -0.18 0.00 0.02 0.00 0.00 54.13 55.42 1mlg s LEU 2 Cb -0.12 -4.01 0.25 0.00 0.02 0.00 0.00 46.19 42.34 1mlg s LEU 2 CO -0.13 -0.14 1.25 -0.94 0.02 0.00 0.00 176.35 176.40 1mlg s SER 3 N -1.98 2.02 0.19 2.29 1.04 -1.26 -4.88 113.70 111.13 1mlg s SER 3 Ca 0.52 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 57.27 1mlg s SER 3 Cb -0.13 -0.41 0.12 0.00 0.10 0.00 0.00 66.02 65.70 1mlg s SER 3 CO 0.19 -3.42 1.51 -0.08 0.98 0.00 0.00 173.24 172.42 1mlg h GLU 4 N -2.11 0.54 -0.43 4.02 4.57 -1.99 -2.17 114.58 117.00 1mlg h GLU 4 Ca -0.44 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.42 1mlg h GLU 4 Cb 1.25 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 1mlg h GLU 4 CO 0.33 0.94 0.27 0.78 -1.18 0.00 0.00 179.01 180.16 1mlg h GLY 5 N 1.08 0.61 0.98 1.92 0.00 -1.99 -0.12 103.07 105.56 1mlg h GLY 5 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1mlg h GLY 5 CO 0.10 0.20 0.21 0.83 0.00 0.00 0.00 176.54 177.88 1mlg h GLU 6 N 0.56 0.46 -0.53 4.80 5.08 -1.85 -1.95 114.58 121.15 1mlg h GLU 6 Ca 0.17 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1mlg h GLU 6 Cb -0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1mlg h GLU 6 CO -0.06 0.35 0.35 -1.49 -1.00 0.00 0.00 179.01 177.16 1mlg h TRP 7 N 0.44 0.50 -0.37 4.33 -0.00 -1.26 -0.97 115.95 118.63 1mlg h TRP 7 Ca 0.12 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.98 1mlg h TRP 7 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 28.98 1mlg h TRP 7 CO -0.04 0.27 0.07 1.96 -0.00 0.00 0.00 178.44 180.70 1mlg h GLN 8 N 0.50 0.61 -0.24 0.49 4.20 -0.60 0.26 115.11 120.33 1mlg h GLN 8 Ca 0.23 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 1mlg h GLN 8 Cb 0.27 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1mlg h GLN 8 CO -0.06 0.67 0.03 -0.07 -0.67 0.00 0.00 178.83 178.73 1mlg h LEU 9 N 0.45 0.31 -0.00 1.46 3.38 -0.45 -1.13 115.31 119.33 1mlg h LEU 9 Ca 0.11 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 1mlg h LEU 9 Cb 0.35 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.04 1mlg h LEU 9 CO 0.01 0.34 -0.80 0.58 0.09 0.00 0.00 178.44 178.66 1mlg h VAL 10 N 0.34 1.36 0.00 1.22 2.07 -0.77 -2.86 116.25 117.60 1mlg h VAL 10 Ca 0.08 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1mlg h VAL 10 Cb 0.18 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1mlg h VAL 10 CO 0.00 0.64 -0.08 0.18 0.02 0.00 0.00 177.57 178.34 1mlg n LEU 11 N -4.06 0.36 0.04 2.57 4.77 0.03 -1.71 117.00 119.01 1mlg n LEU 11 Ca -0.11 0.47 -0.20 0.00 -0.03 0.00 0.00 56.01 56.15 1mlg n LEU 11 Cb 0.76 -0.40 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1mlg n LEU 11 CO 0.51 -0.06 0.08 -0.74 -1.33 0.00 0.00 177.39 175.85 1mlg h HIS 12 N 0.00 0.58 0.00 -1.77 2.76 -1.01 -1.75 115.15 113.96 1mlg h HIS 12 Ca 0.00 -0.40 -0.10 0.00 -2.20 0.00 0.00 60.37 57.67 1mlg h HIS 12 Cb 0.60 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1mlg h HIS 12 CO 0.00 1.29 -0.46 -0.24 -1.30 0.00 0.00 177.93 177.22 1mlg h VAL 13 N -0.29 0.87 -0.27 5.26 3.04 -1.35 -2.98 116.25 120.53 1mlg h VAL 13 Ca -0.13 -1.97 -0.08 0.00 -1.01 0.00 0.00 66.70 63.50 1mlg h VAL 13 Cb 1.60 2.25 -0.01 0.00 -2.01 0.00 0.00 31.29 33.11 1mlg h VAL 13 CO 0.15 0.45 -0.17 -0.25 -1.01 0.00 0.00 177.57 176.74 1mlg h TRP 14 N 0.00 0.52 -0.32 3.17 2.91 -1.22 -0.60 115.95 120.42 1mlg h TRP 14 Ca -0.00 -0.09 -0.02 0.00 1.13 0.00 0.00 58.89 59.91 1mlg h TRP 14 Cb 1.21 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.71 1mlg h TRP 14 CO 0.00 0.63 0.13 0.00 -1.03 0.00 0.00 178.44 178.17 1mlg h ALA 15 N 1.38 1.63 -0.14 2.65 0.00 -1.15 -1.17 119.26 122.46 1mlg h ALA 15 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1mlg h ALA 15 Cb 0.56 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mlg h ALA 15 CO 0.04 0.29 -0.04 0.87 0.00 0.00 0.00 179.25 180.41 1mlg h LYS 16 N 0.44 0.28 -0.60 0.00 1.79 -1.15 -3.20 116.57 114.13 1mlg h LYS 16 Ca 0.11 -0.11 0.12 0.00 -2.18 0.00 0.00 60.65 58.59 1mlg h LYS 16 Cb 0.09 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.63 1mlg h LYS 16 CO -0.01 0.58 0.07 0.28 -1.08 0.00 0.00 179.45 179.29 1mlg h VAL 17 N -0.04 0.58 0.00 0.50 2.07 -0.84 -2.08 116.25 116.44 1mlg h VAL 17 Ca 0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1mlg h VAL 17 Cb 0.48 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1mlg h VAL 17 CO 0.02 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 177.02 1mlg n GLU 18 N -5.20 0.07 0.26 1.57 1.02 -0.49 -1.33 120.64 116.55 1mlg n GLU 18 Ca 0.09 0.57 0.14 0.00 -0.02 0.00 0.00 57.16 57.94 1mlg n GLU 18 Cb 0.34 -1.74 0.61 0.00 -0.02 0.00 0.00 31.44 30.63 1mlg n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mlg h ALA 19 N 2.00 1.04 -1.58 0.62 0.00 -1.37 -3.37 119.26 116.60 1mlg h ALA 19 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 54.91 54.43 1mlg h ALA 19 Cb 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 17.50 1mlg h ALA 19 CO 0.00 0.12 -0.77 -3.47 0.00 0.00 0.00 179.25 175.13 1mlg n ASP 20 N -3.26 -1.72 -0.18 0.00 2.03 -0.44 -5.02 116.55 107.96 1mlg n ASP 20 Ca 0.00 -2.71 -0.09 0.00 0.52 0.00 0.00 54.79 52.52 1mlg n ASP 20 Cb 0.34 0.51 0.01 0.00 -0.72 0.00 0.00 41.12 41.26 1mlg n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1mlg h VAL 21 N 4.25 1.24 -0.06 5.18 2.07 -1.71 -2.44 116.25 124.79 1mlg h VAL 21 Ca 0.13 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1mlg h VAL 21 Cb 0.99 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1mlg h VAL 21 CO 0.25 0.32 -0.30 0.00 0.02 0.00 0.00 177.57 177.86 1mlg h ALA 22 N 0.99 1.39 -0.11 1.67 0.00 -1.91 0.17 119.26 121.47 1mlg h ALA 22 Ca 0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1mlg h ALA 22 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1mlg h ALA 22 CO 0.00 0.44 -0.25 0.78 0.00 0.00 0.00 179.25 180.22 1mlg h GLY 23 N 0.99 0.40 0.94 0.00 0.00 -1.93 -0.88 103.07 102.59 1mlg h GLY 23 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1mlg h GLY 23 CO 0.04 0.44 0.15 0.45 0.00 0.00 0.00 176.54 177.62 1mlg h HIS 24 N -0.07 0.42 -0.63 5.60 3.86 -1.26 -2.40 115.15 120.67 1mlg h HIS 24 Ca -0.00 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1mlg h HIS 24 Cb 0.85 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 1mlg h HIS 24 CO 0.11 0.37 0.42 0.78 0.86 0.00 0.00 177.93 180.47 1mlg h GLY 25 N 0.35 0.78 0.72 2.45 0.00 -0.37 -1.74 103.07 105.26 1mlg h GLY 25 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1mlg h GLY 25 CO -0.01 0.19 -0.04 1.46 0.00 0.00 0.00 176.54 178.14 1mlg h GLN 26 N 0.62 0.22 -0.34 4.80 4.20 -1.11 -1.95 115.11 121.56 1mlg h GLN 26 Ca 0.27 -0.09 0.06 0.00 0.06 0.00 0.00 58.65 58.95 1mlg h GLN 26 Cb 0.27 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1mlg h GLN 26 CO -0.08 0.54 0.01 -0.44 -0.67 0.00 0.00 178.83 178.19 1mlg h ASP 27 N -0.11 -0.11 -0.30 1.46 5.19 -1.33 -1.08 116.42 120.14 1mlg h ASP 27 Ca 0.03 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1mlg h ASP 27 Cb 0.46 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1mlg h ASP 27 CO 0.01 -0.02 0.16 0.40 -3.12 0.00 0.00 179.24 176.67 1mlg h ILE 28 N 0.11 1.14 -0.07 0.35 2.04 -1.28 -1.90 117.51 117.90 1mlg h ILE 28 Ca 0.16 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 1mlg h ILE 28 Cb 0.22 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1mlg h ILE 28 CO -0.26 0.15 -0.48 -0.07 0.00 0.00 0.00 178.15 177.48 1mlg h LEU 29 N 0.36 0.19 -0.48 1.44 3.38 -1.13 -1.10 115.31 117.98 1mlg h LEU 29 Ca 0.11 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1mlg h LEU 29 Cb 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1mlg h LEU 29 CO -0.01 0.65 -0.64 0.40 0.09 0.00 0.00 178.44 178.92 1mlg h ILE 30 N 0.15 1.35 -0.20 1.22 2.04 -1.22 -0.07 117.51 120.79 1mlg h ILE 30 Ca 0.01 -1.98 -0.13 0.00 1.00 0.00 0.00 64.86 63.76 1mlg h ILE 30 Cb 0.90 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1mlg h ILE 30 CO 0.07 0.60 -0.41 -0.09 0.00 0.00 0.00 178.15 178.32 1mlg h ARG 31 N 0.32 0.46 -0.10 2.37 9.65 -1.00 0.70 114.38 126.78 1mlg h ARG 31 Ca -0.01 -0.23 -0.04 0.00 -1.10 0.00 0.00 59.98 58.60 1mlg h ARG 31 Cb 1.19 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1mlg h ARG 31 CO 0.11 0.80 -0.09 1.25 2.80 0.00 0.00 179.97 184.84 1mlg h LEU 32 N 0.38 0.25 -1.25 3.80 5.85 -0.85 -0.06 115.31 123.44 1mlg h LEU 32 Ca 0.03 -0.47 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 1mlg h LEU 32 Cb 0.88 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1mlg h LEU 32 CO 0.07 0.67 -0.35 -0.26 -0.34 0.00 0.00 178.44 178.23 1mlg h PHE 33 N -0.16 0.00 0.04 1.25 0.04 -0.80 0.25 116.94 117.57 1mlg h PHE 33 Ca 0.02 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.54 1mlg h PHE 33 Cb 0.59 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1mlg h PHE 33 CO 0.08 0.35 -1.21 0.87 -0.60 0.00 0.00 178.31 177.80 1mlg h LYS 34 N 0.00 0.09 0.25 1.51 1.57 -0.53 -2.92 116.57 116.55 1mlg h LYS 34 Ca -0.00 -0.15 -0.34 0.00 -1.87 0.00 0.00 60.65 58.29 1mlg h LYS 34 Cb 0.70 0.06 0.04 0.00 0.08 0.00 0.00 32.23 33.10 1mlg h LYS 34 CO 0.05 1.00 -1.50 0.77 -0.57 0.00 0.00 179.45 179.19 1mlg h SER 35 N 0.02 0.83 -3.15 0.86 0.02 -0.68 -3.38 113.55 108.07 1mlg h SER 35 Ca -0.10 -0.91 -0.60 0.00 -0.84 0.00 0.00 61.79 59.34 1mlg h SER 35 Cb 1.88 -0.27 -0.40 0.00 0.14 0.00 0.00 62.40 63.75 1mlg h SER 35 CO 0.14 1.71 -0.78 -1.00 -1.14 0.00 0.00 176.83 175.77 1mlg s HIS 36 N -2.60 1.66 0.34 3.45 3.76 0.86 -4.99 115.29 117.77 1mlg s HIS 36 Ca -0.09 -2.25 0.28 0.00 -0.15 0.00 0.00 55.06 52.85 1mlg s HIS 36 Cb 0.04 -1.60 1.39 0.00 1.11 0.00 0.00 32.58 33.52 1mlg s HIS 36 CO 0.94 -0.79 2.03 -1.35 -0.85 0.00 0.00 174.74 174.72 1mlg h PRO 37 N 6.65 0.00 0.00 8.40 0.11 -1.70 0.18 132.00 145.64 1mlg h PRO 37 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1mlg h PRO 37 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1mlg h PRO 37 CO 0.43 0.13 -0.06 1.05 -0.21 0.00 0.00 178.00 179.33 1mlg h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.73 114.58 121.07 1mlg h GLU 38 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1mlg h GLU 38 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1mlg h GLU 38 CO 0.02 0.06 -0.30 1.79 0.05 0.00 0.00 179.01 180.63 1mlg h THR 39 N 0.00 0.99 -0.02 -1.06 1.35 -1.29 -1.92 112.91 110.97 1mlg h THR 39 Ca -0.00 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1mlg h THR 39 Cb 0.15 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1mlg h THR 39 CO 0.01 0.29 -0.03 0.25 -0.25 0.00 0.00 175.52 175.79 1mlg h LEU 40 N 0.00 0.02 -2.44 3.87 5.85 -1.48 -1.69 115.31 119.44 1mlg h LEU 40 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1mlg h LEU 40 Cb 0.61 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1mlg h LEU 40 CO 0.04 0.06 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.84 1mlg h GLU 41 N 0.02 0.00 0.00 1.25 5.08 -1.47 -2.05 114.58 117.41 1mlg h GLU 41 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1mlg h GLU 41 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1mlg h GLU 41 CO 0.00 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 1mlg n LYS 42 N -3.45 0.13 -3.40 2.33 4.76 -0.63 -4.59 118.16 113.30 1mlg n LYS 42 Ca -0.02 0.28 -0.44 0.00 -2.87 0.00 0.00 58.31 55.26 1mlg n LYS 42 Cb 0.14 -1.71 -0.07 0.00 -1.84 0.00 0.00 35.03 31.55 1mlg n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1mlg s PHE 43 N -3.15 3.28 -0.04 2.13 0.40 -0.77 -4.89 117.98 114.94 1mlg s PHE 43 Ca 0.07 -1.29 0.30 0.00 -0.60 0.00 0.00 56.93 55.41 1mlg s PHE 43 Cb 0.11 -3.47 1.42 0.00 0.51 0.00 0.00 43.02 41.59 1mlg s PHE 43 CO 0.41 -0.93 1.89 -0.44 0.70 0.00 0.00 175.22 176.86 1mlg h ASP 44 N 8.73 0.00 0.63 1.36 5.19 -1.85 -0.81 116.42 129.66 1mlg h ASP 44 Ca -0.27 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.86 1mlg h ASP 44 Cb 1.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1mlg h ASP 44 CO 0.93 0.00 -1.27 -0.09 -3.12 0.00 0.00 179.24 175.70 1mlg h ARG 45 N 0.00 0.26 0.00 3.56 2.43 -1.94 -3.35 114.38 115.34 1mlg h ARG 45 Ca 0.00 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1mlg h ARG 45 Cb 0.22 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1mlg h ARG 45 CO 0.00 1.20 0.00 1.19 -1.51 0.00 0.00 179.97 180.85 1mlg n PHE 46 N -3.52 0.00 -0.31 2.20 3.72 -0.71 -4.75 117.46 114.09 1mlg n PHE 46 Ca -0.09 -0.14 0.31 0.00 -0.05 0.00 0.00 57.45 57.48 1mlg n PHE 46 Cb 1.02 -0.01 0.57 0.00 -0.94 0.00 0.00 39.48 40.12 1mlg n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1mlg n LYS 47 N -0.14 -0.06 0.06 -1.08 4.81 -0.39 -1.69 118.16 119.67 1mlg n LYS 47 Ca 0.00 1.33 0.09 0.00 -0.87 0.00 0.00 58.31 58.86 1mlg n LYS 47 Cb 0.20 -2.39 0.40 0.00 0.02 0.00 0.00 35.03 33.25 1mlg n LYS 47 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 1mlg n HIS 48 N -5.16 0.39 -1.69 5.64 1.44 -1.26 -4.88 115.22 109.70 1mlg n HIS 48 Ca 0.37 0.15 -0.43 0.00 -2.01 0.00 0.00 57.72 55.80 1mlg n HIS 48 Cb 1.25 -0.75 -0.03 0.00 0.12 0.00 0.00 29.99 30.59 1mlg n HIS 48 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1mlg n LEU 49 N -1.85 3.89 -0.10 2.39 4.77 -0.68 -4.91 117.00 120.50 1mlg n LEU 49 Ca 0.03 1.02 -0.11 0.00 -0.03 0.00 0.00 56.01 56.92 1mlg n LEU 49 Cb 0.20 -1.53 -0.15 0.00 -2.33 0.00 0.00 43.42 39.61 1mlg n LEU 49 CO 0.17 0.11 -1.17 0.29 -1.33 0.00 0.00 177.39 175.46 1mlg n LYS 50 N 4.96 0.68 -4.41 3.23 5.02 -1.26 -5.00 118.16 121.38 1mlg n LYS 50 Ca 0.18 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.28 1mlg n LYS 50 Cb 0.35 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 1mlg n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mlg s THR 51 N -2.50 1.49 0.53 -0.18 -4.23 -1.26 -5.01 115.64 104.48 1mlg s THR 51 Ca -0.13 -2.10 0.25 0.00 -1.18 0.00 0.00 61.69 58.53 1mlg s THR 51 Cb 0.06 -2.45 0.30 0.00 1.34 0.00 0.00 72.50 71.76 1mlg s THR 51 CO 0.80 -0.29 2.17 -0.08 -0.54 0.00 0.00 174.62 176.68 1mlg h GLU 52 N 2.31 0.00 -0.23 3.99 4.81 -1.99 -0.78 114.58 122.68 1mlg h GLU 52 Ca -0.40 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.65 1mlg h GLU 52 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1mlg h GLU 52 CO 0.67 0.05 -0.58 0.00 -0.73 0.00 0.00 179.01 178.41 1mlg h ALA 53 N 1.95 0.53 -0.45 2.92 0.00 -1.99 0.40 119.26 122.63 1mlg h ALA 53 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1mlg h ALA 53 Cb 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1mlg h ALA 53 CO 0.01 0.69 0.05 0.93 0.00 0.00 0.00 179.25 180.93 1mlg h GLU 54 N 0.56 0.71 -0.47 0.00 5.08 -1.59 -2.10 114.58 116.78 1mlg h GLU 54 Ca 0.00 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1mlg h GLU 54 Cb 1.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1mlg h GLU 54 CO 0.12 0.69 -0.22 0.52 -1.00 0.00 0.00 179.01 179.12 1mlg h MET 55 N 0.68 0.96 -0.67 2.33 2.86 -0.75 -1.65 114.93 118.69 1mlg h MET 55 Ca 0.14 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1mlg h MET 55 Cb 0.34 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 1mlg h MET 55 CO 0.01 1.08 0.29 0.87 1.06 0.00 0.00 176.91 180.21 1mlg h LYS 56 N 0.83 1.00 -0.00 1.72 1.57 -0.76 -1.54 116.57 119.39 1mlg h LYS 56 Ca 0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1mlg h LYS 56 Cb 0.79 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1mlg h LYS 56 CO 0.07 0.82 -0.01 0.00 -0.57 0.00 0.00 179.45 179.76 1mlg n ALA 57 N -2.38 2.66 -2.65 3.86 0.00 -0.78 -4.87 120.51 116.34 1mlg n ALA 57 Ca 0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1mlg n ALA 57 Cb 0.16 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 1mlg n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mlg s SER 58 N -2.10 6.88 0.15 0.00 0.15 -0.58 -4.90 113.70 113.31 1mlg s SER 58 Ca 0.44 1.09 -0.08 0.00 0.70 0.00 0.00 55.95 58.10 1mlg s SER 58 Cb 0.22 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1mlg s SER 58 CO 0.38 -0.47 1.44 -0.08 1.20 0.00 0.00 173.24 175.71 1mlg h GLU 59 N 7.54 0.73 -0.39 5.44 4.57 -1.89 -2.75 114.58 127.82 1mlg h GLU 59 Ca -0.25 -0.47 0.03 0.00 -1.18 0.00 0.00 59.36 57.49 1mlg h GLU 59 Cb 1.11 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 1mlg h GLU 59 CO 0.86 1.09 0.19 -0.44 -1.18 0.00 0.00 179.01 179.53 1mlg h ASP 60 N 0.55 0.27 -0.83 1.04 3.32 -1.97 -1.63 116.42 117.18 1mlg h ASP 60 Ca 0.01 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1mlg h ASP 60 Cb 1.15 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 1mlg h ASP 60 CO 0.12 0.20 0.53 0.25 -1.72 0.00 0.00 179.24 178.61 1mlg h LEU 61 N 0.39 0.86 -0.70 1.55 6.46 -1.87 -2.08 115.31 119.91 1mlg h LEU 61 Ca 0.17 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.85 1mlg h LEU 61 Cb 0.09 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1mlg h LEU 61 CO -0.13 0.59 0.14 0.50 -0.62 0.00 0.00 178.44 178.92 1mlg h LYS 62 N 1.01 1.14 0.09 1.25 3.64 -1.44 -1.09 116.57 121.17 1mlg h LYS 62 Ca 0.34 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1mlg h LYS 62 Cb 0.04 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1mlg h LYS 62 CO -0.13 1.02 -0.04 0.87 -2.27 0.00 0.00 179.45 178.90 1mlg h LYS 63 N 1.07 -0.11 -0.44 1.90 6.56 -1.15 -2.36 116.57 122.04 1mlg h LYS 63 Ca 0.22 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.90 1mlg h LYS 63 Cb 0.41 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.01 1mlg h LYS 63 CO 0.01 0.01 -0.09 1.25 -2.06 0.00 0.00 179.45 178.56 1mlg h HIS 64 N -0.21 -0.21 -0.79 -1.35 2.76 -1.13 -1.66 115.15 112.56 1mlg h HIS 64 Ca -0.01 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.36 1mlg h HIS 64 Cb 0.17 0.16 -0.11 0.00 1.55 0.00 0.00 27.41 29.19 1mlg h HIS 64 CO -0.04 -0.18 0.31 0.78 -1.30 0.00 0.00 177.93 177.50 1mlg h GLY 65 N 0.01 1.23 0.96 5.26 0.00 -0.97 0.38 103.07 109.94 1mlg h GLY 65 Ca 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1mlg h GLY 65 CO -0.44 -0.16 0.09 -2.08 0.00 0.00 0.00 176.54 173.95 1mlg h VAL 66 N 0.41 1.24 -0.36 4.60 2.07 -1.11 -0.89 116.25 122.21 1mlg h VAL 66 Ca 0.45 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1mlg h VAL 66 Cb 0.75 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1mlg h VAL 66 CO -0.45 0.30 0.18 0.74 0.02 0.00 0.00 177.57 178.36 1mlg h THR 67 N 0.59 0.99 -0.34 2.57 2.02 -0.93 -0.66 112.91 117.15 1mlg h THR 67 Ca 0.14 -0.13 -0.14 0.00 0.77 0.00 0.00 66.41 67.05 1mlg h THR 67 Cb 0.35 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1mlg h THR 67 CO 0.01 0.07 -0.36 0.00 0.37 0.00 0.00 175.52 175.61 1mlg h ALA 68 N 1.19 0.72 -0.18 6.16 0.00 -0.85 -2.35 119.26 123.94 1mlg h ALA 68 Ca 0.15 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 1mlg h ALA 68 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mlg h ALA 68 CO -0.10 0.66 -0.67 -0.07 0.00 0.00 0.00 179.25 179.07 1mlg h LEU 69 N 0.66 0.81 -0.58 0.00 3.38 -1.05 -1.93 115.31 116.59 1mlg h LEU 69 Ca 0.06 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1mlg h LEU 69 Cb 0.91 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1mlg h LEU 69 CO 0.08 1.26 0.37 0.74 0.09 0.00 0.00 178.44 180.98 1mlg h THR 70 N 0.51 1.12 -0.76 0.22 2.02 -1.08 0.11 112.91 115.04 1mlg h THR 70 Ca -0.02 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1mlg h THR 70 Cb 1.27 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1mlg h THR 70 CO 0.13 0.14 0.30 0.00 0.37 0.00 0.00 175.52 176.46 1mlg h ALA 71 N 1.23 0.99 -0.68 6.16 0.00 -1.15 -2.10 119.26 123.71 1mlg h ALA 71 Ca 0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1mlg h ALA 71 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1mlg h ALA 71 CO -0.07 0.63 0.17 1.25 0.00 0.00 0.00 179.25 181.22 1mlg h LEU 72 N 1.11 1.01 -1.06 0.00 5.85 -1.20 -2.52 115.31 118.50 1mlg h LEU 72 Ca 0.25 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1mlg h LEU 72 Cb 0.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1mlg h LEU 72 CO -0.02 0.97 -0.10 1.23 -0.34 0.00 0.00 178.44 180.19 1mlg h GLY 73 N 1.07 0.60 2.00 3.75 0.00 -0.62 -0.77 103.07 109.10 1mlg h GLY 73 Ca 0.21 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1mlg h GLY 73 CO 0.00 0.38 -0.25 0.00 0.00 0.00 0.00 176.54 176.67 1mlg h ALA 74 N 1.38 1.00 0.14 3.60 0.00 -0.98 -1.83 119.26 122.57 1mlg h ALA 74 Ca 0.10 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1mlg h ALA 74 Cb 0.48 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1mlg h ALA 74 CO 0.03 0.31 -0.81 0.82 0.00 0.00 0.00 179.25 179.60 1mlg h ILE 75 N 0.00 1.52 -0.60 0.00 2.04 -0.95 -3.10 117.51 116.42 1mlg h ILE 75 Ca -0.00 -2.53 -0.04 0.00 1.00 0.00 0.00 64.86 63.29 1mlg h ILE 75 Cb 0.79 3.20 -0.03 0.00 -0.74 0.00 0.00 36.82 40.04 1mlg h ILE 75 CO 0.03 0.72 0.21 -0.07 0.00 0.00 0.00 178.15 179.04 1mlg h LEU 76 N -0.37 0.82 -2.01 1.44 3.38 -0.91 -0.88 115.31 116.77 1mlg h LEU 76 Ca -0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1mlg h LEU 76 Cb 1.64 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1mlg h LEU 76 CO 0.15 0.75 0.00 0.11 0.09 0.00 0.00 178.44 179.54 1mlg h LYS 77 N 0.87 0.00 0.00 1.13 1.57 -1.27 -1.44 116.57 117.43 1mlg h LYS 77 Ca 0.20 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1mlg h LYS 77 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1mlg h LYS 77 CO -0.01 0.00 -0.17 0.87 -0.57 0.00 0.00 179.45 179.57 1mlg h LYS 78 N 0.00 0.00 -4.71 3.15 1.79 -1.08 -3.48 116.57 112.24 1mlg h LYS 78 Ca 0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.17 1mlg h LYS 78 Cb 0.29 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.05 1mlg h LYS 78 CO 0.00 0.17 -0.52 1.63 -1.08 0.00 0.00 179.45 179.65 1mlg n LYS 79 N -3.37 -6.07 0.00 3.15 5.02 -0.54 -1.48 118.16 114.87 1mlg n LYS 79 Ca -0.00 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1mlg n LYS 79 Cb 0.38 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 1mlg n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mlg n GLY 80 N -1.64 2.51 3.00 0.72 0.00 -1.26 -4.96 105.19 103.57 1mlg n GLY 80 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1mlg n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mlg n HIS 81 N -1.87 2.66 -0.00 1.61 8.25 -0.55 -4.66 115.22 120.65 1mlg n HIS 81 Ca 0.00 -2.73 0.00 0.00 -0.26 0.00 0.00 57.72 54.73 1mlg n HIS 81 Cb 0.00 -1.46 0.00 0.00 1.12 0.00 0.00 29.99 29.65 1mlg n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1mlg n HIS 82 N 2.08 0.00 -0.26 4.41 1.44 -1.26 -4.72 115.22 116.90 1mlg n HIS 82 Ca 0.29 -0.40 -0.06 0.00 -2.01 0.00 0.00 57.72 55.54 1mlg n HIS 82 Cb 0.34 -0.04 -0.06 0.00 0.12 0.00 0.00 29.99 30.36 1mlg n HIS 82 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1mlg n GLU 83 N -0.40 -0.26 0.06 -1.40 4.71 -1.26 -1.11 120.64 120.97 1mlg n GLU 83 Ca 0.00 0.95 -0.11 0.00 -0.01 0.00 0.00 57.16 57.99 1mlg n GLU 83 Cb 0.20 -1.39 -0.05 0.00 -1.01 0.00 0.00 31.44 29.19 1mlg n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1mlg h ALA 84 N 0.36 -0.29 -0.93 0.62 0.00 -2.01 -2.66 119.26 114.35 1mlg h ALA 84 Ca 0.11 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1mlg h ALA 84 Cb 0.27 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1mlg h ALA 84 CO -0.59 -0.72 0.54 0.93 0.00 0.00 0.00 179.25 179.41 1mlg h GLU 85 N -0.35 0.76 -0.03 0.00 3.07 -1.75 -3.09 114.58 113.19 1mlg h GLU 85 Ca 0.06 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 1mlg h GLU 85 Cb 0.43 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1mlg h GLU 85 CO -0.19 0.50 -0.31 1.25 -1.40 0.00 0.00 179.01 178.85 1mlg h LEU 86 N 0.78 0.05 0.00 1.33 5.85 -0.84 -3.34 115.31 119.14 1mlg h LEU 86 Ca 0.50 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.20 1mlg h LEU 86 Cb 0.64 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1mlg h LEU 86 CO -0.33 0.37 0.00 0.29 -0.34 0.00 0.00 178.44 178.43 1mlg n LYS 87 N -4.15 0.00 -0.01 1.25 5.02 -1.03 -0.34 118.16 118.90 1mlg n LYS 87 Ca -0.02 0.57 0.21 0.00 -2.02 0.00 0.00 58.31 57.05 1mlg n LYS 87 Cb 0.37 -1.38 0.71 0.00 -0.02 0.00 0.00 35.03 34.70 1mlg n LYS 87 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1mlg h PRO 88 N 0.00 0.00 -0.23 1.97 0.13 -1.75 -1.90 132.00 130.22 1mlg h PRO 88 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1mlg h PRO 88 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1mlg h PRO 88 CO 0.00 0.00 -0.37 1.25 -0.23 0.00 0.00 178.00 178.65 1mlg h LEU 89 N 0.00 0.72 -0.73 1.56 5.85 -1.61 -2.22 115.31 118.88 1mlg h LEU 89 Ca 0.27 -0.52 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 1mlg h LEU 89 Cb 1.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1mlg h LEU 89 CO -0.00 1.11 -0.20 0.00 -0.34 0.00 0.00 178.44 179.00 1mlg h ALA 90 N 0.64 0.91 0.22 1.25 0.00 -0.47 -2.22 119.26 119.58 1mlg h ALA 90 Ca 0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1mlg h ALA 90 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1mlg h ALA 90 CO 0.08 0.62 -0.11 0.37 0.00 0.00 0.00 179.25 180.22 1mlg h GLN 91 N 0.67 -0.29 -0.51 0.00 4.15 -1.12 -0.42 115.11 117.59 1mlg h GLN 91 Ca 0.10 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1mlg h GLN 91 Cb 0.70 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1mlg h GLN 91 CO 0.05 -0.05 0.10 0.66 -1.93 0.00 0.00 178.83 177.66 1mlg h SER 92 N -0.48 0.73 0.78 -0.69 4.64 -1.42 -0.43 113.55 116.68 1mlg h SER 92 Ca -0.03 -0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.01 1mlg h SER 92 Cb 0.36 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1mlg h SER 92 CO 0.05 0.74 -0.67 0.45 -0.87 0.00 0.00 176.83 176.53 1mlg h HIS 93 N 0.75 0.00 0.05 4.77 3.86 -1.33 -0.50 115.15 122.75 1mlg h HIS 93 Ca 0.16 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.10 1mlg h HIS 93 Cb 0.32 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1mlg h HIS 93 CO 0.02 0.67 -1.41 0.00 0.86 0.00 0.00 177.93 178.06 1mlg h ALA 94 N 1.33 0.45 0.00 2.45 0.00 -0.96 -0.51 119.26 122.02 1mlg h ALA 94 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1mlg h ALA 94 Cb 1.24 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1mlg h ALA 94 CO 0.09 1.31 -0.43 -2.37 0.00 0.00 0.00 179.25 177.84 1mlg n THR 95 N -3.30 0.00 -0.08 0.00 5.66 -0.18 -4.05 114.28 112.33 1mlg n THR 95 Ca -0.11 -0.33 -0.15 0.00 -3.05 0.00 0.00 64.05 60.41 1mlg n THR 95 Cb 1.01 0.85 -0.05 0.00 -1.55 0.00 0.00 70.33 70.59 1mlg n THR 95 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1mlg n LYS 96 N -1.23 0.40 0.02 1.09 4.81 -0.38 -4.66 118.16 118.22 1mlg n LYS 96 Ca 0.00 0.17 -0.08 0.00 -0.87 0.00 0.00 58.31 57.53 1mlg n LYS 96 Cb 0.07 -1.19 -0.13 0.00 0.02 0.00 0.00 35.03 33.80 1mlg n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1mlg h HIS 97 N -0.72 0.02 -4.93 5.64 -0.00 -1.33 -3.49 115.15 110.33 1mlg h HIS 97 Ca -0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1mlg h HIS 97 Cb 1.12 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 1mlg h HIS 97 CO -0.17 1.02 -0.03 1.63 -0.00 0.00 0.00 177.93 180.37 1mlg n LYS 98 N -3.19 -1.15 -3.69 2.45 4.01 -0.46 -4.98 118.16 111.15 1mlg n LYS 98 Ca -0.10 1.36 -0.39 0.00 -0.51 0.00 0.00 58.31 58.67 1mlg n LYS 98 Cb 1.01 -4.99 -0.12 0.00 -0.51 0.00 0.00 35.03 30.42 1mlg n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1mlg s ILE 99 N -2.95 3.97 0.96 -0.18 -1.09 -0.33 -5.03 121.20 116.56 1mlg s ILE 99 Ca 0.02 -1.23 -0.12 0.00 -2.23 0.00 0.00 60.65 57.09 1mlg s ILE 99 Cb -0.00 -3.32 0.12 0.00 -1.58 0.00 0.00 42.46 37.67 1mlg s ILE 99 CO 0.62 -0.30 0.80 -0.81 -1.23 0.00 0.00 174.94 174.01 1mlg n PRO 100 N 4.85 -0.64 0.22 2.79 -0.04 -1.26 -4.84 135.00 136.08 1mlg n PRO 100 Ca -0.11 -0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.29 1mlg n PRO 100 Cb 0.44 -2.13 0.50 0.00 -0.04 0.00 0.00 33.50 32.27 1mlg n PRO 100 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1mlg h ILE 101 N -1.86 0.92 -0.28 0.52 1.08 -2.00 0.03 117.51 115.92 1mlg h ILE 101 Ca -0.45 -1.00 -0.07 0.00 -0.39 0.00 0.00 64.86 62.95 1mlg h ILE 101 Cb 1.28 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.60 1mlg h ILE 101 CO 0.39 0.26 -0.12 0.50 -0.69 0.00 0.00 178.15 178.49 1mlg h LYS 102 N 0.00 0.46 -0.25 2.37 1.63 -2.00 -0.98 116.57 117.80 1mlg h LYS 102 Ca -0.00 -0.13 -0.15 0.00 -0.85 0.00 0.00 60.65 59.52 1mlg h LYS 102 Cb 0.56 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1mlg h LYS 102 CO 0.03 0.58 -0.46 1.88 -3.45 0.00 0.00 179.45 178.03 1mlg h TYR 103 N 0.43 0.80 -0.52 1.91 -1.99 -1.34 -1.60 116.97 114.66 1mlg h TYR 103 Ca 0.08 -0.25 -0.05 0.00 2.00 0.00 0.00 58.73 60.50 1mlg h TYR 103 Cb 0.47 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 1mlg h TYR 103 CO 0.01 1.00 0.10 -0.07 -0.00 0.00 0.00 178.16 179.20 1mlg h LEU 104 N 0.52 0.75 -0.35 3.88 3.38 -1.26 -1.31 115.31 120.93 1mlg h LEU 104 Ca 0.03 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1mlg h LEU 104 Cb 1.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1mlg h LEU 104 CO 0.09 0.76 0.20 -0.33 0.09 0.00 0.00 178.44 179.25 1mlg h GLU 105 N 0.77 0.40 -0.30 1.13 5.08 -0.76 -2.24 114.58 118.66 1mlg h GLU 105 Ca 0.17 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1mlg h GLU 105 Cb 0.32 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1mlg h GLU 105 CO 0.00 0.26 -0.03 0.74 -1.00 0.00 0.00 179.01 178.98 1mlg h PHE 106 N 0.41 -0.08 0.00 4.33 0.04 -0.85 -2.31 116.94 118.48 1mlg h PHE 106 Ca 0.14 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 1mlg h PHE 106 Cb 0.01 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1mlg h PHE 106 CO -0.08 -0.09 -0.32 0.97 -0.60 0.00 0.00 178.31 178.20 1mlg h ILE 107 N 0.05 1.11 -0.81 -0.55 2.10 -1.25 -2.21 117.51 115.95 1mlg h ILE 107 Ca 0.14 -1.13 -0.02 0.00 1.08 0.00 0.00 64.86 64.93 1mlg h ILE 107 Cb 0.21 1.63 -0.04 0.00 -1.09 0.00 0.00 36.82 37.53 1mlg h ILE 107 CO -0.27 0.31 0.44 0.28 -1.08 0.00 0.00 178.15 177.83 1mlg h SER 108 N 0.00 1.02 0.10 2.19 0.02 -1.07 0.99 113.55 116.81 1mlg h SER 108 Ca -0.00 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 1mlg h SER 108 Cb 0.61 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1mlg h SER 108 CO 0.04 0.82 -0.33 -0.08 -1.14 0.00 0.00 176.83 176.14 1mlg h GLU 109 N 1.14 0.33 -0.01 3.45 4.81 -1.22 -0.63 114.58 122.45 1mlg h GLU 109 Ca 0.29 -0.14 -0.20 0.00 -0.13 0.00 0.00 59.36 59.18 1mlg h GLU 109 Cb 0.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1mlg h GLU 109 CO -0.04 0.63 -0.85 0.00 -0.73 0.00 0.00 179.01 178.01 1mlg h ALA 110 N 1.37 0.53 -0.41 2.92 0.00 -0.69 -0.71 119.26 122.27 1mlg h ALA 110 Ca 0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 1mlg h ALA 110 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1mlg h ALA 110 CO 0.06 0.88 -0.11 0.82 0.00 0.00 0.00 179.25 180.90 1mlg h ILE 111 N 0.14 1.28 -0.07 0.00 2.04 -0.27 -1.61 117.51 119.02 1mlg h ILE 111 Ca -0.04 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 1mlg h ILE 111 Cb 1.47 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 1mlg h ILE 111 CO 0.13 0.40 -0.39 0.40 0.00 0.00 0.00 178.15 178.70 1mlg h ILE 112 N 0.61 1.30 -0.15 -0.67 2.04 -0.91 -1.18 117.51 118.54 1mlg h ILE 112 Ca 0.10 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 1mlg h ILE 112 Cb 0.63 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1mlg h ILE 112 CO 0.04 0.42 -0.09 -0.74 0.00 0.00 0.00 178.15 177.78 1mlg h HIS 113 N 0.12 0.39 -0.28 1.37 2.76 -0.84 -0.79 115.15 117.88 1mlg h HIS 113 Ca 0.01 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.02 1mlg h HIS 113 Cb 0.75 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1mlg h HIS 113 CO 0.01 0.67 -0.07 0.28 -1.30 0.00 0.00 177.93 177.51 1mlg h VAL 114 N -0.01 1.28 -0.44 5.26 2.07 -1.11 -0.56 116.25 122.74 1mlg h VAL 114 Ca 0.03 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1mlg h VAL 114 Cb 0.57 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1mlg h VAL 114 CO 0.03 0.35 0.28 -0.07 0.02 0.00 0.00 177.57 178.17 1mlg h LEU 115 N 0.29 0.52 -0.35 2.57 3.38 -1.05 0.13 115.31 120.81 1mlg h LEU 115 Ca 0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1mlg h LEU 115 Cb 0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1mlg h LEU 115 CO 0.03 0.39 -0.19 -0.74 0.09 0.00 0.00 178.44 178.02 1mlg h HIS 116 N 0.61 0.86 -0.10 1.13 2.76 -0.91 0.57 115.15 120.07 1mlg h HIS 116 Ca 0.16 -0.22 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 1mlg h HIS 116 Cb -0.04 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 1mlg h HIS 116 CO 0.00 0.95 -0.01 0.77 -1.30 0.00 0.00 177.93 178.34 1mlg h SER 117 N 0.52 0.17 0.47 3.26 0.02 -0.38 -3.28 113.55 114.34 1mlg h SER 117 Ca 0.07 -0.34 -0.21 0.00 -0.84 0.00 0.00 61.79 60.47 1mlg h SER 117 Cb 0.74 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1mlg h SER 117 CO 0.06 0.47 -0.92 0.03 -1.14 0.00 0.00 176.83 175.33 1mlg h ARG 118 N -0.13 0.30 -1.97 3.45 3.08 -0.72 -3.40 114.38 114.98 1mlg h ARG 118 Ca 0.03 -0.33 -0.55 0.00 0.07 0.00 0.00 59.98 59.20 1mlg h ARG 118 Cb 0.39 0.10 -0.41 0.00 0.08 0.00 0.00 29.97 30.12 1mlg h ARG 118 CO 0.01 1.03 -0.81 0.72 -1.07 0.00 0.00 179.97 179.85 1mlg n HIS 119 N -3.69 2.98 0.29 3.04 8.25 0.18 -4.92 115.22 121.34 1mlg n HIS 119 Ca -0.05 -3.68 0.15 0.00 -0.26 0.00 0.00 57.72 53.88 1mlg n HIS 119 Cb 0.83 -0.38 0.88 0.00 1.12 0.00 0.00 29.99 32.44 1mlg n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mlg h PRO 120 N 2.90 0.00 0.00 -0.41 0.13 -1.72 0.26 132.00 133.17 1mlg h PRO 120 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 1mlg h PRO 120 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1mlg h PRO 120 CO 0.74 0.04 -0.54 0.78 -0.23 0.00 0.00 178.00 178.79 1mlg h GLY 121 N 0.36 0.00 -1.27 1.56 0.00 -1.91 -2.80 103.07 99.01 1mlg h GLY 121 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mlg h GLY 121 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 1mlg n ASN 122 N -3.19 3.35 -2.78 0.19 3.02 -0.16 -4.71 115.26 110.97 1mlg n ASN 122 Ca 0.01 -2.66 -0.12 0.00 -0.03 0.00 0.00 54.58 51.79 1mlg n ASN 122 Cb 0.73 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.51 1mlg n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1mlg n PHE 123 N -0.28 1.05 -1.09 3.10 7.35 -0.10 -4.67 117.46 122.82 1mlg n PHE 123 Ca 0.17 -3.07 -0.14 0.00 -0.76 0.00 0.00 57.45 53.65 1mlg n PHE 123 Cb 0.69 -0.38 0.11 0.00 0.35 0.00 0.00 39.48 40.25 1mlg n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1mlg n GLY 124 N 0.00 -1.97 0.15 7.13 0.00 -1.25 -4.64 105.19 104.62 1mlg n GLY 124 Ca 0.14 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1mlg n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mlg h ALA 125 N -2.13 0.40 -0.73 4.61 0.00 -1.98 0.11 119.26 119.53 1mlg h ALA 125 Ca -0.20 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1mlg h ALA 125 Cb 0.58 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1mlg h ALA 125 CO 0.14 -0.28 0.35 -0.44 0.00 0.00 0.00 179.25 179.02 1mlg h ASP 126 N 0.26 0.96 0.22 0.00 3.32 -1.99 -0.84 116.42 118.35 1mlg h ASP 126 Ca 0.16 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1mlg h ASP 126 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1mlg h ASP 126 CO -0.17 0.83 -0.41 0.00 -1.72 0.00 0.00 179.24 177.77 1mlg h ALA 127 N 1.17 1.09 -0.11 3.45 0.00 -1.79 -1.04 119.26 122.03 1mlg h ALA 127 Ca 0.25 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1mlg h ALA 127 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mlg h ALA 127 CO -0.03 0.59 -0.57 0.37 0.00 0.00 0.00 179.25 179.62 1mlg h GLN 128 N 0.21 0.36 -0.50 0.00 4.15 -0.58 -0.07 115.11 118.67 1mlg h GLN 128 Ca 0.02 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.09 1mlg h GLN 128 Cb 0.82 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1mlg h GLN 128 CO 0.06 0.83 -0.15 0.78 -1.93 0.00 0.00 178.83 178.42 1mlg h GLY 129 N 1.29 1.07 0.89 2.39 0.00 -0.82 -0.20 103.07 107.71 1mlg h GLY 129 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1mlg h GLY 129 CO 0.09 0.82 0.08 0.00 0.00 0.00 0.00 176.54 177.54 1mlg h ALA 130 N 0.89 0.25 -0.78 3.60 0.00 -0.95 -1.07 119.26 121.21 1mlg h ALA 130 Ca 0.12 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mlg h ALA 130 Cb 0.72 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1mlg h ALA 130 CO 0.06 -0.16 0.48 1.98 0.00 0.00 0.00 179.25 181.61 1mlg h MET 131 N 0.17 0.90 -0.33 0.00 -1.53 -0.85 -0.82 114.93 112.47 1mlg h MET 131 Ca 0.07 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.28 1mlg h MET 131 Cb 0.16 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 30.99 1mlg h MET 131 CO -0.01 0.59 0.21 -0.97 0.14 0.00 0.00 176.91 176.88 1mlg h ASN 132 N 0.92 0.37 -0.66 1.39 -1.24 -0.95 -1.51 115.58 113.90 1mlg h ASN 132 Ca 0.32 -0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.43 1mlg h ASN 132 Cb 0.07 -0.09 -0.08 0.00 0.73 0.00 0.00 38.32 38.95 1mlg h ASN 132 CO -0.13 0.27 0.26 0.50 -1.29 0.00 0.00 177.43 177.03 1mlg h LYS 133 N 0.44 0.43 -0.38 6.67 3.64 -0.70 -0.06 116.57 126.61 1mlg h LYS 133 Ca 0.12 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1mlg h LYS 133 Cb -0.04 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1mlg h LYS 133 CO -0.03 0.28 -0.00 0.00 -2.27 0.00 0.00 179.45 177.43 1mlg h ALA 134 N 1.45 1.30 0.03 5.00 0.00 -0.71 -1.04 119.26 125.29 1mlg h ALA 134 Ca 0.34 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1mlg h ALA 134 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mlg h ALA 134 CO -0.33 0.48 -1.00 -0.07 0.00 0.00 0.00 179.25 178.33 1mlg h LEU 135 N 0.56 0.48 -0.60 0.00 3.38 -1.10 -0.90 115.31 117.13 1mlg h LEU 135 Ca 0.12 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1mlg h LEU 135 Cb 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1mlg h LEU 135 CO 0.01 1.23 0.35 -0.33 0.09 0.00 0.00 178.44 179.79 1mlg h GLU 136 N 0.18 0.82 0.09 1.13 5.08 -0.80 0.50 114.58 121.58 1mlg h GLU 136 Ca -0.09 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1mlg h GLU 136 Cb 1.65 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1mlg h GLU 136 CO 0.17 0.60 -0.14 1.25 -1.00 0.00 0.00 179.01 179.89 1mlg h LEU 137 N 0.81 -0.38 -0.64 1.33 5.85 -1.06 0.10 115.31 121.32 1mlg h LEU 137 Ca 0.21 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.08 1mlg h LEU 137 Cb -0.00 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 1mlg h LEU 137 CO -0.04 -0.20 0.25 0.15 -0.34 0.00 0.00 178.44 178.26 1mlg h PHE 138 N -0.27 0.44 -0.03 1.25 3.57 -1.00 -1.14 116.94 119.75 1mlg h PHE 138 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1mlg h PHE 138 Cb 0.29 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1mlg h PHE 138 CO -0.15 0.11 0.01 0.00 -2.23 0.00 0.00 178.31 176.05 1mlg h ARG 139 N 0.44 0.05 -0.89 1.11 3.08 -0.67 -0.19 114.38 117.31 1mlg h ARG 139 Ca 0.33 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.45 1mlg h ARG 139 Cb 0.41 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 1mlg h ARG 139 CO -0.32 0.26 0.54 -0.22 -1.07 0.00 0.00 179.97 179.17 1mlg h LYS 140 N -0.17 0.92 -0.11 0.04 3.64 -0.65 0.12 116.57 120.35 1mlg h LYS 140 Ca 0.01 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.15 1mlg h LYS 140 Cb 0.23 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1mlg h LYS 140 CO 0.00 0.61 -0.70 -0.44 -2.27 0.00 0.00 179.45 176.65 1mlg h ASP 141 N 0.95 0.58 -0.06 4.20 5.19 -0.99 -1.60 116.42 124.68 1mlg h ASP 141 Ca 0.41 -0.37 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1mlg h ASP 141 Cb 0.28 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1mlg h ASP 141 CO -0.21 1.11 -0.38 0.40 -3.12 0.00 0.00 179.24 177.03 1mlg h ILE 142 N 0.35 1.30 -0.47 0.35 1.08 -0.87 -2.03 117.51 117.20 1mlg h ILE 142 Ca -0.03 -1.53 -0.06 0.00 -0.39 0.00 0.00 64.86 62.85 1mlg h ILE 142 Cb 1.28 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 36.52 1mlg h ILE 142 CO 0.13 0.49 0.06 0.00 -0.69 0.00 0.00 178.15 178.13 1mlg h ALA 143 N 1.11 1.22 -0.11 1.87 0.00 -0.40 -0.49 119.26 122.46 1mlg h ALA 143 Ca 0.04 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1mlg h ALA 143 Cb 0.88 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1mlg h ALA 143 CO 0.08 0.52 -0.53 0.00 0.00 0.00 0.00 179.25 179.32 1mlg h ALA 144 N 1.36 0.90 -0.32 0.00 0.00 -1.04 -2.47 119.26 117.69 1mlg h ALA 144 Ca 0.15 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1mlg h ALA 144 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1mlg h ALA 144 CO 0.01 0.68 -0.30 0.87 0.00 0.00 0.00 179.25 180.50 1mlg h LYS 145 N 0.24 0.67 -0.47 0.00 1.79 -0.94 -2.45 116.57 115.41 1mlg h LYS 145 Ca 0.01 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.19 1mlg h LYS 145 Cb 1.01 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 1mlg h LYS 145 CO 0.09 0.89 0.29 1.88 -1.08 0.00 0.00 179.45 181.52 1mlg h TYR 146 N 0.57 0.55 -0.82 -1.35 0.05 -0.73 -0.22 116.97 115.01 1mlg h TYR 146 Ca 0.07 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 1mlg h TYR 146 Cb 0.81 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 1mlg h TYR 146 CO 0.04 0.33 0.40 -0.22 -1.05 0.00 0.00 178.16 177.65 1mlg h LYS 147 N 0.59 1.18 -0.23 4.88 3.64 -1.33 0.25 116.57 125.55 1mlg h LYS 147 Ca 0.18 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1mlg h LYS 147 Cb -0.02 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1mlg h LYS 147 CO -0.07 0.91 -0.28 0.93 -2.27 0.00 0.00 179.45 178.66 1mlg h GLU 148 N 1.17 0.46 0.00 1.90 5.08 -0.89 -1.96 114.58 120.34 1mlg h GLU 148 Ca 0.28 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1mlg h GLU 148 Cb 0.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1mlg h GLU 148 CO -0.04 0.70 0.00 1.28 -1.00 0.00 0.00 179.01 179.95 1mlg n LEU 149 N -4.10 0.57 0.00 1.33 4.77 -0.16 -4.94 117.00 114.47 1mlg n LEU 149 Ca -0.01 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1mlg n LEU 149 Cb 0.42 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1mlg n LEU 149 CO 0.42 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 1mlg n GLY 150 N 1.07 1.06 3.33 -0.72 0.00 -0.07 -5.05 105.19 104.82 1mlg n GLY 150 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1mlg n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mlg s TYR 151 N -2.00 2.65 0.23 1.61 5.04 -0.36 -4.99 117.35 119.53 1mlg s TYR 151 Ca 0.00 -0.66 0.00 0.00 -2.44 0.00 0.00 57.07 53.97 1mlg s TYR 151 Cb 0.00 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.59 1mlg s TYR 151 CO 0.00 -0.19 0.00 0.94 -1.34 0.00 0.00 175.55 174.96 1mlg n GLN 152 N 3.18 -1.43 0.00 4.97 7.27 -1.26 -3.64 117.38 126.47 1mlg n GLN 152 Ca -0.18 1.13 0.00 0.00 0.07 0.00 0.00 57.00 58.02 1mlg n GLN 152 Cb 0.52 -1.81 0.00 0.00 2.41 0.00 0.00 30.24 31.37 1mlg n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54