#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr1 s MET 1 N 0.00 3.10 0.27 4.33 1.00 -1.26 -5.00 119.30 121.73 3mr1 s MET 1 Ca 0.00 1.04 -0.31 0.00 0.00 0.00 0.00 55.69 56.43 3mr1 s MET 1 Cb 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 34.83 32.69 3mr1 s MET 1 CO 0.00 -0.98 1.47 -0.89 0.00 0.00 0.00 175.02 174.62 3mr1 n ILE 2 N -2.71 1.04 -2.29 2.53 2.08 -1.26 -4.92 119.36 113.83 3mr1 n ILE 2 Ca 0.08 -0.26 -0.41 0.00 0.56 0.00 0.00 62.75 62.71 3mr1 n ILE 2 Cb 0.53 -1.66 -0.03 0.00 -0.75 0.00 0.00 39.64 37.73 3mr1 n ILE 2 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3mr1 s LYS 3 N -0.53 4.42 -0.21 0.38 1.02 -1.26 -5.02 119.74 118.54 3mr1 s LYS 3 Ca 0.66 1.97 -0.08 0.00 0.02 0.00 0.00 55.97 58.54 3mr1 s LYS 3 Cb -0.59 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 3mr1 s LYS 3 CO 0.50 -0.22 0.08 0.42 -0.92 0.00 0.00 175.35 175.21 3mr1 s ILE 4 N 0.25 4.72 0.05 2.17 -1.09 -1.26 -4.26 121.20 121.77 3mr1 s ILE 4 Ca 0.56 -0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.96 3mr1 s ILE 4 Cb -0.34 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 3mr1 s ILE 4 CO 0.36 0.41 0.02 -1.00 -1.23 0.00 0.00 174.94 173.50 3mr1 s HIS 5 N 0.79 3.06 0.55 3.97 3.76 0.47 -4.99 115.29 122.91 3mr1 s HIS 5 Ca 0.04 0.04 0.03 0.00 -0.15 0.00 0.00 55.06 55.02 3mr1 s HIS 5 Cb -0.13 -1.60 0.05 0.00 1.11 0.00 0.00 32.58 32.00 3mr1 s HIS 5 CO 0.02 0.48 0.77 0.95 -0.85 0.00 0.00 174.74 176.11 3mr1 s THR 6 N -1.24 2.58 0.24 1.30 -4.23 -1.26 -4.46 115.64 108.57 3mr1 s THR 6 Ca 0.24 -0.76 -0.06 0.00 -1.18 0.00 0.00 61.69 59.93 3mr1 s THR 6 Cb -0.12 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 71.11 3mr1 s THR 6 CO 0.16 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 175.87 3mr1 h GLU 7 N 0.10 0.35 -0.98 3.99 4.57 -2.00 -1.56 114.58 119.05 3mr1 h GLU 7 Ca -0.39 -0.02 0.21 0.00 -1.18 0.00 0.00 59.36 57.98 3mr1 h GLU 7 Cb 1.29 -0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.71 3mr1 h GLU 7 CO 0.47 0.23 0.62 0.87 -1.18 0.00 0.00 179.01 180.02 3mr1 h LYS 8 N 0.36 0.54 -0.18 1.92 1.79 -2.01 -0.06 116.57 118.92 3mr1 h LYS 8 Ca 0.39 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.70 3mr1 h LYS 8 Cb 0.61 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3mr1 h LYS 8 CO -0.43 0.36 -0.43 -0.44 -1.08 0.00 0.00 179.45 177.43 3mr1 h ASP 9 N 0.56 0.47 -0.64 0.86 3.32 -1.67 -3.13 116.42 116.19 3mr1 h ASP 9 Ca 0.54 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.39 3mr1 h ASP 9 Cb 1.12 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.51 3mr1 h ASP 9 CO -0.29 0.85 0.41 -0.26 -1.72 0.00 0.00 179.24 178.23 3mr1 h PHE 10 N 0.36 0.77 -0.46 4.55 -1.00 -0.84 -0.82 116.94 119.50 3mr1 h PHE 10 Ca 0.03 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.84 3mr1 h PHE 10 Cb 0.91 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 3mr1 h PHE 10 CO 0.03 0.47 0.29 0.82 -1.61 0.00 0.00 178.31 178.30 3mr1 h ILE 11 N 0.82 1.09 -0.73 -0.55 2.04 -1.43 0.13 117.51 118.88 3mr1 h ILE 11 Ca 0.25 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 3mr1 h ILE 11 Cb -0.04 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3mr1 h ILE 11 CO -0.08 0.11 0.37 0.11 0.00 0.00 0.00 178.15 178.66 3mr1 h LYS 12 N 0.59 1.04 -0.08 2.37 1.79 -1.45 -2.44 116.57 118.38 3mr1 h LYS 12 Ca 0.17 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 58.36 3mr1 h LYS 12 Cb -0.03 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.41 3mr1 h LYS 12 CO -0.06 0.80 -0.59 0.52 -1.08 0.00 0.00 179.45 179.04 3mr1 h MET 13 N 1.01 0.26 -0.83 3.15 2.86 -0.66 -2.33 114.93 118.39 3mr1 h MET 13 Ca 0.25 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3mr1 h MET 13 Cb 0.09 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3mr1 h MET 13 CO -0.03 0.78 0.55 0.00 1.06 0.00 0.00 176.91 179.26 3mr1 h ARG 14 N 0.19 1.09 -0.05 1.72 3.08 -0.55 0.10 114.38 119.96 3mr1 h ARG 14 Ca -0.00 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3mr1 h ARG 14 Cb 1.10 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 3mr1 h ARG 14 CO 0.09 0.72 0.00 0.00 -1.07 0.00 0.00 179.97 179.72 3mr1 h ALA 15 N 1.30 0.07 -0.37 0.04 0.00 -1.25 -0.32 119.26 118.74 3mr1 h ALA 15 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3mr1 h ALA 15 Cb -0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3mr1 h ALA 15 CO -0.06 -0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.10 3mr1 h ALA 16 N 0.74 0.47 -0.41 0.00 0.00 -1.40 -2.47 119.26 116.19 3mr1 h ALA 16 Ca 0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mr1 h ALA 16 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3mr1 h ALA 16 CO 0.00 0.02 0.26 0.78 0.00 0.00 0.00 179.25 180.31 3mr1 h GLY 17 N 0.46 0.57 0.94 0.00 0.00 -0.79 -2.01 103.07 102.23 3mr1 h GLY 17 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.27 3mr1 h GLY 17 CO -0.02 0.19 0.40 1.70 0.00 0.00 0.00 176.54 178.82 3mr1 h LYS 18 N 0.53 0.78 -0.60 4.80 3.64 -0.92 -2.24 116.57 122.57 3mr1 h LYS 18 Ca 0.15 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3mr1 h LYS 18 Cb -0.04 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3mr1 h LYS 18 CO -0.04 0.52 0.13 1.25 -2.27 0.00 0.00 179.45 179.03 3mr1 h LEU 19 N 0.81 0.92 -0.63 5.20 5.85 -1.26 -0.27 115.31 125.93 3mr1 h LEU 19 Ca 0.24 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3mr1 h LEU 19 Cb -0.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 3mr1 h LEU 19 CO -0.08 0.93 0.39 0.00 -0.34 0.00 0.00 178.44 179.34 3mr1 h ALA 20 N 1.03 0.82 -0.80 1.25 0.00 -1.18 -1.35 119.26 119.03 3mr1 h ALA 20 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3mr1 h ALA 20 Cb 0.38 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3mr1 h ALA 20 CO 0.01 0.15 0.34 0.00 0.00 0.00 0.00 179.25 179.75 3mr1 h ALA 21 N 1.27 1.04 -0.15 0.00 0.00 -1.11 -2.59 119.26 117.73 3mr1 h ALA 21 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3mr1 h ALA 21 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3mr1 h ALA 21 CO -0.10 0.65 -0.16 0.93 0.00 0.00 0.00 179.25 180.57 3mr1 h GLU 22 N 1.16 0.24 -0.43 0.00 5.08 -0.65 -0.09 114.58 119.89 3mr1 h GLU 22 Ca 0.27 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3mr1 h GLU 22 Cb 0.18 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3mr1 h GLU 22 CO -0.03 0.40 0.17 1.15 -1.00 0.00 0.00 179.01 179.70 3mr1 h THR 23 N 0.23 1.20 -0.28 1.13 2.02 -0.89 -0.08 112.91 116.25 3mr1 h THR 23 Ca 0.04 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 3mr1 h THR 23 Cb 0.42 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3mr1 h THR 23 CO 0.03 0.23 -0.28 -0.07 0.37 0.00 0.00 175.52 175.80 3mr1 h LEU 24 N 0.55 0.57 0.16 2.58 3.38 -1.13 -1.92 115.31 119.50 3mr1 h LEU 24 Ca 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3mr1 h LEU 24 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3mr1 h LEU 24 CO -0.01 0.83 -0.08 0.44 0.09 0.00 0.00 178.44 179.71 3mr1 h ASP 25 N 0.49 -0.18 -0.82 -0.43 3.32 -0.89 -3.23 116.42 114.67 3mr1 h ASP 25 Ca 0.07 -0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.16 3mr1 h ASP 25 Cb 0.73 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.24 3mr1 h ASP 25 CO 0.06 -0.05 0.45 0.15 -1.72 0.00 0.00 179.24 178.12 3mr1 h PHE 26 N -0.30 0.80 0.00 4.55 3.57 -0.83 -2.69 116.94 122.04 3mr1 h PHE 26 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3mr1 h PHE 26 Cb 0.23 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3mr1 h PHE 26 CO -0.04 0.27 -0.11 0.97 -2.23 0.00 0.00 178.31 177.17 3mr1 h ILE 27 N 0.70 0.22 -0.67 1.41 6.09 -1.38 -3.36 117.51 120.52 3mr1 h ILE 27 Ca 0.42 -1.07 0.12 0.00 -1.37 0.00 0.00 64.86 62.96 3mr1 h ILE 27 Cb 0.49 1.89 -0.12 0.00 0.47 0.00 0.00 36.82 39.55 3mr1 h ILE 27 CO -0.30 0.11 -0.33 0.74 -3.07 0.00 0.00 178.15 175.30 3mr1 h THR 28 N 0.00 0.15 0.00 2.19 2.02 -1.50 -0.67 112.91 115.10 3mr1 h THR 28 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3mr1 h THR 28 Cb 0.88 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3mr1 h THR 28 CO 0.01 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.37 3mr1 n ASP 29 N -5.45 0.66 0.02 4.18 8.00 -1.26 -2.02 116.55 120.68 3mr1 n ASP 29 Ca 0.06 0.68 0.12 0.00 0.71 0.00 0.00 54.79 56.36 3mr1 n ASP 29 Cb 0.37 -0.81 0.23 0.00 -0.02 0.00 0.00 41.12 40.88 3mr1 n ASP 29 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3mr1 n HIS 30 N -2.24 0.14 -2.65 1.24 8.25 -0.27 -4.79 115.22 114.90 3mr1 n HIS 30 Ca 0.02 0.04 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 3mr1 n HIS 30 Cb 0.21 -0.36 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 3mr1 n HIS 30 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3mr1 s VAL 31 N -3.05 4.39 0.08 1.59 1.01 -0.86 -4.96 120.40 118.61 3mr1 s VAL 31 Ca 0.10 1.42 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 3mr1 s VAL 31 Cb 0.16 -4.49 0.08 0.00 0.00 0.00 0.00 36.38 32.14 3mr1 s VAL 31 CO 0.71 -0.72 0.73 -1.59 0.00 0.00 0.00 175.10 174.22 3mr1 s LYS 32 N 3.97 1.07 0.41 2.72 -2.85 -1.26 -4.77 119.74 119.03 3mr1 s LYS 32 Ca 0.45 -0.35 -0.24 0.00 -1.00 0.00 0.00 55.97 54.84 3mr1 s LYS 32 Cb -0.10 0.49 -0.12 0.00 -2.06 0.00 0.00 37.83 36.05 3mr1 s LYS 32 CO 0.23 -0.46 0.76 -2.30 0.10 0.00 0.00 175.35 173.68 3mr1 n PRO 33 N -0.23 0.90 -1.08 1.78 -0.02 -1.26 -3.10 135.00 131.99 3mr1 n PRO 33 Ca -0.14 0.32 -0.03 0.00 -2.02 0.00 0.00 63.50 61.64 3mr1 n PRO 33 Cb 0.63 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.38 3mr1 n PRO 33 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3mr1 n ASN 34 N 0.96 -4.18 -4.79 2.55 3.02 0.78 -4.96 115.26 108.65 3mr1 n ASN 34 Ca 0.11 0.07 -0.26 0.00 -0.03 0.00 0.00 54.58 54.46 3mr1 n ASN 34 Cb 0.38 -1.92 -0.06 0.00 -0.61 0.00 0.00 39.78 37.58 3mr1 n ASN 34 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3mr1 s VAL 35 N -1.81 4.43 0.25 2.41 -7.23 -1.18 -4.80 120.40 112.47 3mr1 s VAL 35 Ca 0.00 -1.09 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 3mr1 s VAL 35 Cb 0.00 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.65 3mr1 s VAL 35 CO 0.00 -0.10 0.41 0.42 -0.31 0.00 0.00 175.10 175.52 3mr1 s THR 36 N -1.73 5.21 0.33 5.32 -4.23 -1.26 -0.88 115.64 118.40 3mr1 s THR 36 Ca 0.31 -0.69 0.20 0.00 -1.18 0.00 0.00 61.69 60.32 3mr1 s THR 36 Cb -0.10 -3.82 0.18 0.00 1.34 0.00 0.00 72.50 70.10 3mr1 s THR 36 CO 0.23 -0.34 1.90 0.71 -0.54 0.00 0.00 174.62 176.58 3mr1 h THR 37 N 1.18 0.89 -0.65 3.99 1.35 -1.70 -2.43 112.91 115.55 3mr1 h THR 37 Ca -0.50 -1.02 0.10 0.00 -0.55 0.00 0.00 66.41 64.44 3mr1 h THR 37 Cb 1.22 1.60 -0.08 0.00 -1.73 0.00 0.00 68.15 69.16 3mr1 h THR 37 CO 0.63 0.26 0.26 0.78 -0.25 0.00 0.00 175.52 177.20 3mr1 h ASN 38 N 0.00 0.27 -0.74 5.36 2.35 -1.55 0.86 115.58 122.12 3mr1 h ASN 38 Ca -0.00 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3mr1 h ASN 38 Cb 0.58 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 3mr1 h ASN 38 CO 0.03 0.15 0.29 0.77 -1.65 0.00 0.00 177.43 177.02 3mr1 h SER 39 N 0.44 1.03 -0.55 5.81 4.64 -1.72 -1.99 113.55 121.21 3mr1 h SER 39 Ca 0.33 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3mr1 h SER 39 Cb 0.42 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3mr1 h SER 39 CO -0.32 0.92 0.00 -0.07 -0.87 0.00 0.00 176.83 176.49 3mr1 h LEU 40 N 1.09 0.95 -0.43 5.97 3.38 -1.37 -2.07 115.31 122.82 3mr1 h LEU 40 Ca 0.25 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3mr1 h LEU 40 Cb 0.22 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3mr1 h LEU 40 CO -0.02 1.02 0.10 -1.13 0.09 0.00 0.00 178.44 178.50 3mr1 h ASN 41 N 0.85 0.03 -0.47 -0.43 -1.24 -0.48 -1.34 115.58 112.50 3mr1 h ASN 41 Ca 0.16 0.07 -0.11 0.00 0.71 0.00 0.00 56.30 57.13 3mr1 h ASN 41 Cb 0.54 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 3mr1 h ASN 41 CO 0.03 0.05 -0.12 0.44 -1.29 0.00 0.00 177.43 176.54 3mr1 h ASP 42 N 0.23 0.95 -0.13 1.15 3.32 -1.14 -0.62 116.42 120.18 3mr1 h ASP 42 Ca 0.21 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3mr1 h ASP 42 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3mr1 h ASP 42 CO -0.27 1.07 0.08 -0.07 -1.72 0.00 0.00 179.24 178.33 3mr1 h LEU 43 N 0.85 0.16 -0.60 1.55 3.38 -1.15 -1.94 115.31 117.55 3mr1 h LEU 43 Ca 0.13 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3mr1 h LEU 43 Cb 0.66 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3mr1 h LEU 43 CO 0.05 0.17 0.12 0.00 0.09 0.00 0.00 178.44 178.87 3mr1 h HIS 45 N 0.89 -0.30 -0.05 0.00 -0.00 -0.94 -1.05 115.15 113.71 3mr1 h HIS 45 Ca 0.19 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 3mr1 h HIS 45 Cb 0.39 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.91 3mr1 h HIS 45 CO 0.03 -0.18 -0.32 -0.91 -0.00 0.00 0.00 177.93 176.55 3mr1 h ASN 46 N -0.22 0.08 -0.27 3.26 -0.26 -1.33 -1.46 115.58 115.37 3mr1 h ASN 46 Ca 0.03 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 3mr1 h ASN 46 Cb 0.25 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 3mr1 h ASN 46 CO -0.08 0.41 0.08 0.15 -1.06 0.00 0.00 177.43 176.92 3mr1 h PHE 47 N 0.08 0.45 0.11 1.19 3.57 -0.95 -1.03 116.94 120.36 3mr1 h PHE 47 Ca 0.01 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3mr1 h PHE 47 Cb 0.61 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3mr1 h PHE 47 CO 0.00 0.50 -0.05 0.82 -2.23 0.00 0.00 178.31 177.34 3mr1 h ILE 48 N 0.28 0.99 -0.32 1.41 2.04 -0.95 -2.42 117.51 118.54 3mr1 h ILE 48 Ca 0.09 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3mr1 h ILE 48 Cb 0.26 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3mr1 h ILE 48 CO -0.00 0.10 -0.28 0.71 0.00 0.00 0.00 178.15 178.68 3mr1 h THR 49 N -0.34 1.28 0.00 -0.27 1.35 -1.32 -1.01 112.91 112.61 3mr1 h THR 49 Ca -0.02 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3mr1 h THR 49 Cb 0.27 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3mr1 h THR 49 CO 0.03 0.45 0.00 -1.54 -0.25 0.00 0.00 175.52 174.21 3mr1 n SER 50 N -4.09 0.59 -2.08 5.36 3.41 -0.39 -1.77 113.62 114.65 3mr1 n SER 50 Ca -0.01 0.70 -0.12 0.00 -0.26 0.00 0.00 58.87 59.19 3mr1 n SER 50 Cb 0.45 -0.81 0.26 0.00 -0.26 0.00 0.00 64.21 63.85 3mr1 n SER 50 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3mr1 n HIS 51 N -2.22 2.66 -3.65 7.33 -0.00 -0.42 -4.93 115.22 113.99 3mr1 n HIS 51 Ca 0.00 -1.41 -0.27 0.00 -0.00 0.00 0.00 57.72 56.05 3mr1 n HIS 51 Cb 0.13 -0.78 0.03 0.00 -0.00 0.00 0.00 29.99 29.38 3mr1 n HIS 51 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 3mr1 n ASN 52 N -0.47 -5.20 -4.31 0.41 5.15 -0.73 -4.99 115.26 105.12 3mr1 n ASN 52 Ca 0.47 -0.61 -0.22 0.00 -0.60 0.00 0.00 54.58 53.62 3mr1 n ASN 52 Cb 1.48 -4.16 -0.10 0.00 -0.53 0.00 0.00 39.78 36.48 3mr1 n ASN 52 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mr1 s ALA 53 N -3.24 2.50 -0.06 5.20 0.00 -1.01 -4.73 121.76 120.43 3mr1 s ALA 53 Ca 0.57 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.87 3mr1 s ALA 53 Cb -0.28 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3mr1 s ALA 53 CO 0.70 -0.34 -0.21 0.42 0.00 0.00 0.00 175.76 176.33 3mr1 s ILE 54 N -3.32 2.46 -0.57 0.00 1.01 -0.44 -3.83 121.20 116.50 3mr1 s ILE 54 Ca 0.32 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.76 3mr1 s ILE 54 Cb 0.06 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.64 3mr1 s ILE 54 CO 0.15 0.57 1.14 -2.16 0.00 0.00 0.00 174.94 174.64 3mr1 s PRO 55 N -0.36 3.49 0.36 2.79 0.04 -1.26 -0.32 135.00 139.73 3mr1 s PRO 55 Ca 0.03 0.17 0.10 0.00 0.04 0.00 0.00 61.00 61.34 3mr1 s PRO 55 Cb -0.12 -4.01 0.86 0.00 0.04 0.00 0.00 34.50 31.26 3mr1 s PRO 55 CO 0.02 -1.62 1.85 0.00 0.04 0.00 0.00 177.00 177.29 3mr1 h ALA 56 N 9.48 1.88 0.00 8.56 0.00 -1.54 -2.28 119.26 135.36 3mr1 h ALA 56 Ca -0.25 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3mr1 h ALA 56 Cb 1.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3mr1 h ALA 56 CO 1.16 -0.16 -0.13 -1.35 0.00 0.00 0.00 179.25 178.78 3mr1 h PRO 57 N 0.65 0.00 -6.17 0.00 0.11 -1.76 -3.38 132.00 121.44 3mr1 h PRO 57 Ca 0.48 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 66.02 3mr1 h PRO 57 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mr1 h PRO 57 CO -0.23 0.13 1.33 -1.17 -0.21 0.00 0.00 178.00 177.85 3mr1 s LEU 58 N -7.25 3.84 -1.99 2.35 2.96 -0.86 -0.95 118.68 116.78 3mr1 s LEU 58 Ca -0.03 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 3mr1 s LEU 58 Cb 0.13 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3mr1 s LEU 58 CO 0.59 -1.54 0.00 -3.20 -1.32 0.00 0.00 176.35 170.88 3mr1 n ASN 59 N 9.74 -5.28 -4.60 3.68 5.15 0.22 -4.95 115.26 119.22 3mr1 n ASN 59 Ca 0.24 0.45 -0.43 0.00 -0.60 0.00 0.00 54.58 54.24 3mr1 n ASN 59 Cb 0.44 -4.44 -0.02 0.00 -0.53 0.00 0.00 39.78 35.23 3mr1 n ASN 59 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3mr1 s TYR 60 N -2.71 2.14 -1.45 1.20 5.04 -0.12 -2.63 117.35 118.82 3mr1 s TYR 60 Ca 0.00 0.65 -0.13 0.00 -2.44 0.00 0.00 57.07 55.14 3mr1 s TYR 60 Cb 0.00 -4.24 0.10 0.00 0.35 0.00 0.00 41.96 38.18 3mr1 s TYR 60 CO 0.00 -2.40 0.66 1.63 -1.34 0.00 0.00 175.55 174.10 3mr1 n LYS 61 N 8.24 -3.64 -0.13 4.97 5.02 -1.26 -1.70 118.16 129.66 3mr1 n LYS 61 Ca 0.19 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 3mr1 n LYS 61 Cb 0.47 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 3mr1 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mr1 n GLY 62 N -1.32 1.26 3.66 0.72 0.00 -1.08 -5.02 105.19 103.42 3mr1 n GLY 62 Ca 0.03 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.50 3mr1 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mr1 n PHE 63 N -2.00 1.86 0.88 1.61 -0.00 -0.69 -4.75 117.46 114.37 3mr1 n PHE 63 Ca 0.00 0.55 0.08 0.00 -0.00 0.00 0.00 57.45 58.08 3mr1 n PHE 63 Cb 0.00 -2.42 0.25 0.00 -0.00 0.00 0.00 39.48 37.31 3mr1 n PHE 63 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3mr1 n PRO 64 N 4.31 1.89 -4.34 -7.13 -0.04 -1.26 -0.61 135.00 127.82 3mr1 n PRO 64 Ca 0.23 -1.37 -0.20 0.00 -0.04 0.00 0.00 63.50 62.12 3mr1 n PRO 64 Cb 0.16 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.18 3mr1 n PRO 64 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3mr1 s LYS 65 N -1.58 1.72 0.11 0.54 -0.14 -1.26 -4.85 119.74 114.27 3mr1 s LYS 65 Ca 0.30 -2.00 0.23 0.00 -1.36 0.00 0.00 55.97 53.13 3mr1 s LYS 65 Cb 0.16 0.02 0.01 0.00 -1.68 0.00 0.00 37.83 36.34 3mr1 s LYS 65 CO 0.22 -0.55 0.99 0.43 -0.76 0.00 0.00 175.35 175.68 3mr1 n SER 66 N -1.27 0.63 -4.18 2.83 7.64 -1.26 -2.66 113.62 115.35 3mr1 n SER 66 Ca 0.03 0.06 -0.11 0.00 1.01 0.00 0.00 58.87 59.86 3mr1 n SER 66 Cb 0.64 0.75 -0.10 0.00 -1.01 0.00 0.00 64.21 64.49 3mr1 n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 3mr1 s ILE 67 N -3.30 0.34 -0.11 0.44 -4.36 -1.26 -4.32 121.20 108.63 3mr1 s ILE 67 Ca 0.01 -1.93 -0.06 0.00 -0.26 0.00 0.00 60.65 58.40 3mr1 s ILE 67 Cb 0.12 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3mr1 s ILE 67 CO 0.80 -0.51 0.14 0.00 0.24 0.00 0.00 174.94 175.62 3mr1 s THR 69 N -1.06 0.76 -0.28 0.00 -4.23 -0.23 -1.35 115.64 109.26 3mr1 s THR 69 Ca 0.16 -0.26 0.01 0.00 -1.18 0.00 0.00 61.69 60.43 3mr1 s THR 69 Cb -0.12 -0.92 0.06 0.00 1.34 0.00 0.00 72.50 72.85 3mr1 s THR 69 CO 0.06 0.21 -0.06 -0.44 -0.54 0.00 0.00 174.62 173.85 3mr1 s SER 70 N 1.80 4.64 -0.10 3.99 0.01 -0.01 -3.92 113.70 120.11 3mr1 s SER 70 Ca 0.03 -1.38 -0.14 0.00 1.31 0.00 0.00 55.95 55.77 3mr1 s SER 70 Cb -0.14 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.43 3mr1 s SER 70 CO -0.07 -0.23 0.34 -0.63 0.41 0.00 0.00 173.24 173.07 3mr1 s ILE 71 N 1.16 5.23 0.00 1.44 1.01 -1.26 -0.32 121.20 128.45 3mr1 s ILE 71 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.26 3mr1 s ILE 71 Cb -0.20 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3mr1 s ILE 71 CO -0.03 0.45 0.00 0.59 0.00 0.00 0.00 174.94 175.95 3mr1 n ASN 72 N 2.97 0.00 -0.11 3.58 3.02 -0.30 -1.33 115.26 123.09 3mr1 n ASN 72 Ca -0.12 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.58 3mr1 n ASN 72 Cb 0.52 0.00 0.84 0.00 -0.61 0.00 0.00 39.78 40.53 3mr1 n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mr1 n HIS 73 N 0.00 0.00 -2.20 3.10 1.44 -1.26 -2.07 115.22 114.23 3mr1 n HIS 73 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3mr1 n HIS 73 Cb 0.00 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.06 3mr1 n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3mr1 s VAL 74 N -2.04 3.48 -0.16 0.61 1.01 -0.44 -1.77 120.40 121.09 3mr1 s VAL 74 Ca 0.44 1.02 -0.23 0.00 0.00 0.00 0.00 61.98 63.20 3mr1 s VAL 74 Cb 0.22 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.71 3mr1 s VAL 74 CO 0.37 0.06 0.49 0.58 0.00 0.00 0.00 175.10 176.60 3mr1 h VAL 75 N 4.46 1.28 -2.78 2.92 2.07 0.43 -3.41 116.25 121.21 3mr1 h VAL 75 Ca -0.41 -2.29 0.08 0.00 0.82 0.00 0.00 66.70 64.91 3mr1 h VAL 75 Cb 1.20 2.76 -0.08 0.00 -1.52 0.00 0.00 31.29 33.66 3mr1 h VAL 75 CO 0.87 0.49 0.31 0.00 0.02 0.00 0.00 177.57 179.26 3mr1 n HIS 77 N -0.43 -0.83 -1.98 0.00 8.25 -1.26 -2.26 115.22 116.71 3mr1 n HIS 77 Ca -0.07 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.01 3mr1 n HIS 77 Cb 0.61 -3.76 0.02 0.00 1.12 0.00 0.00 29.99 27.98 3mr1 n HIS 77 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3mr1 s GLY 78 N -2.19 2.83 -0.26 -1.41 0.00 -1.25 -3.87 107.32 101.17 3mr1 s GLY 78 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 44.72 45.76 3mr1 s GLY 78 CO 0.00 1.61 0.16 -0.42 0.00 0.00 0.00 173.10 174.45 3mr1 s ILE 79 N -1.44 5.17 0.20 0.90 1.01 -1.25 -1.06 121.20 124.73 3mr1 s ILE 79 Ca 0.70 0.12 -0.31 0.00 0.00 0.00 0.00 60.65 61.16 3mr1 s ILE 79 Cb -0.35 -3.43 -0.15 0.00 0.01 0.00 0.00 42.46 38.54 3mr1 s ILE 79 CO 0.41 0.30 1.06 -2.65 0.00 0.00 0.00 174.94 174.06 3mr1 n PRO 80 N 4.73 1.09 -1.57 2.79 -0.02 -1.26 -4.86 135.00 135.89 3mr1 n PRO 80 Ca -0.15 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.71 3mr1 n PRO 80 Cb 0.52 -1.80 -0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3mr1 n PRO 80 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3mr1 n ASN 81 N 1.78 -0.07 -0.95 2.55 0.23 -1.26 -4.71 115.26 112.83 3mr1 n ASN 81 Ca 0.14 -1.09 0.08 0.00 -0.53 0.00 0.00 54.58 53.18 3mr1 n ASN 81 Cb 0.26 0.13 0.22 0.00 -2.08 0.00 0.00 39.78 38.32 3mr1 n ASN 81 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3mr1 n ASP 82 N -1.89 2.76 -4.69 0.53 5.75 -1.26 -1.51 116.55 116.24 3mr1 n ASP 82 Ca -0.00 -2.04 -0.42 0.00 -0.01 0.00 0.00 54.79 52.32 3mr1 n ASP 82 Cb 0.03 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 3mr1 n ASP 82 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3mr1 s LYS 83 N -1.38 4.39 0.15 0.11 1.02 -1.26 -4.91 119.74 117.86 3mr1 s LYS 83 Ca 0.34 1.67 -0.31 0.00 0.02 0.00 0.00 55.97 57.69 3mr1 s LYS 83 Cb 0.18 -3.50 -0.09 0.00 -0.52 0.00 0.00 37.83 33.90 3mr1 s LYS 83 CO 0.22 -0.37 1.40 -1.25 -0.92 0.00 0.00 175.35 174.43 3mr1 s PRO 84 N 1.85 4.32 0.52 -1.68 0.04 -1.26 -4.11 135.00 134.68 3mr1 s PRO 84 Ca 0.56 2.13 -0.22 0.00 0.04 0.00 0.00 61.00 63.51 3mr1 s PRO 84 Cb -0.25 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.01 3mr1 s PRO 84 CO 0.24 -0.42 1.14 1.28 0.04 0.00 0.00 177.00 179.28 3mr1 n LEU 85 N 3.50 4.09 -4.46 -3.56 4.77 -0.06 -4.82 117.00 116.46 3mr1 n LEU 85 Ca 0.10 0.95 -0.28 0.00 -0.03 0.00 0.00 56.01 56.75 3mr1 n LEU 85 Cb 0.42 -1.46 -0.12 0.00 -2.33 0.00 0.00 43.42 39.94 3mr1 n LEU 85 CO 0.59 -1.22 -0.51 -0.54 -1.33 0.00 0.00 177.39 174.38 3mr1 s LYS 86 N -2.57 1.64 0.05 3.23 1.02 -1.26 -0.15 119.74 121.70 3mr1 s LYS 86 Ca 0.70 -1.34 -0.36 0.00 0.02 0.00 0.00 55.97 54.98 3mr1 s LYS 86 Cb -0.46 -1.98 -0.16 0.00 -0.52 0.00 0.00 37.83 34.71 3mr1 s LYS 86 CO 0.51 0.44 1.45 -1.71 -0.92 0.00 0.00 175.35 175.13 3mr1 n ASN 87 N 0.55 2.08 0.00 2.83 5.15 -1.26 -1.48 115.26 123.12 3mr1 n ASN 87 Ca -0.15 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 3mr1 n ASN 87 Cb 0.54 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 3mr1 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mr1 n GLY 88 N 2.95 1.43 3.76 8.20 0.00 0.15 -4.92 105.19 116.77 3mr1 n GLY 88 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3mr1 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mr1 s ASP 89 N -2.18 5.05 0.02 1.61 1.01 -0.55 -4.68 116.67 116.95 3mr1 s ASP 89 Ca 0.00 2.11 0.07 0.00 0.71 0.00 0.00 52.55 55.44 3mr1 s ASP 89 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 3mr1 s ASP 89 CO 0.00 -1.67 -0.19 0.27 0.21 0.00 0.00 175.17 173.79 3mr1 s ILE 90 N -2.14 2.73 -0.03 0.77 -4.36 -1.26 -1.47 121.20 115.43 3mr1 s ILE 90 Ca 0.70 -1.12 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 3mr1 s ILE 90 Cb -0.23 -2.11 0.02 0.00 1.25 0.00 0.00 42.46 41.38 3mr1 s ILE 90 CO 0.39 0.40 -0.03 0.54 0.24 0.00 0.00 174.94 176.48 3mr1 s VAL 91 N -0.86 0.36 -0.07 8.37 0.11 -0.59 -1.15 120.40 126.57 3mr1 s VAL 91 Ca 0.14 -0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.88 3mr1 s VAL 91 Cb -0.10 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 3mr1 s VAL 91 CO 0.04 0.17 0.75 0.21 -3.33 0.00 0.00 175.10 172.93 3mr1 s ASN 92 N 0.70 7.03 -0.21 3.54 3.84 0.56 -0.44 114.94 129.96 3mr1 s ASN 92 Ca -0.08 1.24 -0.04 0.00 0.21 0.00 0.00 52.86 54.19 3mr1 s ASN 92 Cb -0.11 -2.43 -0.01 0.00 -0.55 0.00 0.00 41.25 38.14 3mr1 s ASN 92 CO -0.01 -0.16 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.48 3mr1 s ILE 93 N 0.97 3.50 -0.20 -5.21 1.01 -0.70 -0.83 121.20 119.75 3mr1 s ILE 93 Ca 0.39 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 3mr1 s ILE 93 Cb -0.18 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.72 3mr1 s ILE 93 CO 0.19 0.43 -0.14 -0.62 0.00 0.00 0.00 174.94 174.79 3mr1 s ASP 94 N 1.29 3.57 -0.04 3.58 2.15 -0.45 -2.26 116.67 124.49 3mr1 s ASP 94 Ca 0.04 -0.56 0.07 0.00 0.43 0.00 0.00 52.55 52.52 3mr1 s ASP 94 Cb -0.14 -1.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.89 3mr1 s ASP 94 CO -0.01 -0.01 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.05 3mr1 s VAL 95 N 1.36 2.15 -0.07 1.11 1.01 -0.09 -1.94 120.40 123.94 3mr1 s VAL 95 Ca 0.05 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3mr1 s VAL 95 Cb -0.14 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.50 3mr1 s VAL 95 CO -0.09 0.57 -0.04 -0.89 0.00 0.00 0.00 175.10 174.65 3mr1 s THR 96 N -0.37 0.60 0.10 3.92 2.01 -1.26 -1.09 115.64 119.55 3mr1 s THR 96 Ca 0.03 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 61.99 3mr1 s THR 96 Cb -0.12 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3mr1 s THR 96 CO 0.02 0.27 0.00 0.68 -0.69 0.00 0.00 174.62 174.90 3mr1 s VAL 97 N 1.37 4.01 -0.27 3.82 -7.23 0.38 -1.48 120.40 121.00 3mr1 s VAL 97 Ca -0.04 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 3mr1 s VAL 97 Cb -0.13 -2.92 0.02 0.00 0.56 0.00 0.00 36.38 33.91 3mr1 s VAL 97 CO -0.03 0.09 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.22 3mr1 s ILE 98 N -1.36 3.24 -0.20 -0.62 1.01 0.56 -0.63 121.20 123.21 3mr1 s ILE 98 Ca 0.26 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.96 3mr1 s ILE 98 Cb -0.11 -2.68 0.04 0.00 0.01 0.00 0.00 42.46 39.71 3mr1 s ILE 98 CO 0.18 0.12 -0.12 -0.22 0.00 0.00 0.00 174.94 174.90 3mr1 s LEU 99 N 1.37 2.41 -1.62 2.97 2.96 0.20 -1.33 118.68 125.65 3mr1 s LEU 99 Ca 0.00 -0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 52.86 3mr1 s LEU 99 Cb -0.17 -1.33 0.12 0.00 0.50 0.00 0.00 46.19 45.31 3mr1 s LEU 99 CO -0.02 -0.12 0.79 -0.67 -1.32 0.00 0.00 176.35 175.01 3mr1 n ASP 100 N 4.64 -3.29 0.00 3.68 2.03 -1.26 -1.75 116.55 120.59 3mr1 n ASP 100 Ca -0.16 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.20 3mr1 n ASP 100 Cb 0.47 -3.08 0.00 0.00 -0.72 0.00 0.00 41.12 37.79 3mr1 n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mr1 n GLY 101 N -1.54 0.62 3.45 0.27 0.00 -1.26 -5.04 105.19 101.68 3mr1 n GLY 101 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3mr1 n GLY 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mr1 s TRP 102 N -2.23 2.67 -0.18 1.61 0.52 -0.72 -4.40 118.94 116.22 3mr1 s TRP 102 Ca 0.00 -0.24 -0.13 0.00 0.02 0.00 0.00 56.10 55.75 3mr1 s TRP 102 Cb 0.00 -1.64 -0.05 0.00 -1.15 0.00 0.00 33.47 30.64 3mr1 s TRP 102 CO 0.00 0.12 0.25 0.71 0.02 0.00 0.00 176.95 178.05 3mr1 s TYR 103 N -0.60 3.43 -0.18 -1.98 1.51 -0.43 -0.62 117.35 118.48 3mr1 s TYR 103 Ca 0.09 0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.66 3mr1 s TYR 103 Cb -0.11 -2.30 0.01 0.00 -0.11 0.00 0.00 41.96 39.45 3mr1 s TYR 103 CO 0.01 0.23 -0.17 0.20 -1.11 0.00 0.00 175.55 174.71 3mr1 s GLY 104 N 0.51 1.43 -0.19 0.71 0.00 0.20 -4.66 107.32 105.31 3mr1 s GLY 104 Ca 0.14 -1.18 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 3mr1 s GLY 104 CO 0.02 0.25 -0.06 -0.35 0.00 0.00 0.00 173.10 172.97 3mr1 s ASP 105 N 1.23 3.24 -0.03 1.64 -1.08 -1.26 -0.47 116.67 119.94 3mr1 s ASP 105 Ca 0.03 -0.87 -0.19 0.00 -0.52 0.00 0.00 52.55 51.00 3mr1 s ASP 105 Cb -0.14 -1.03 0.04 0.00 -1.46 0.00 0.00 42.92 40.33 3mr1 s ASP 105 CO -0.09 -0.20 0.41 0.28 0.52 0.00 0.00 175.17 176.09 3mr1 s THR 106 N 1.54 0.04 0.03 1.71 -1.32 -0.25 -2.93 115.64 114.45 3mr1 s THR 106 Ca -0.02 -0.33 -0.00 0.00 -1.21 0.00 0.00 61.69 60.13 3mr1 s THR 106 Cb -0.17 -0.71 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 3mr1 s THR 106 CO -0.07 -0.18 -0.03 -0.94 -2.21 0.00 0.00 174.62 171.18 3mr1 s SER 107 N -1.20 0.34 0.05 8.08 1.04 -0.91 -0.91 113.70 120.19 3mr1 s SER 107 Ca -0.12 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.63 3mr1 s SER 107 Cb -0.04 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 3mr1 s SER 107 CO 0.05 -0.40 -0.03 -0.13 0.98 0.00 0.00 173.24 173.71 3mr1 s ARG 108 N -2.30 0.61 0.26 4.02 0.52 -0.96 -2.00 118.95 119.10 3mr1 s ARG 108 Ca -0.08 -1.22 -0.16 0.00 -0.52 0.00 0.00 55.73 53.75 3mr1 s ARG 108 Cb -0.04 0.20 -0.08 0.00 0.52 0.00 0.00 34.95 35.55 3mr1 s ARG 108 CO -0.04 -0.11 0.70 -1.64 0.02 0.00 0.00 175.30 174.23 3mr1 s MET 109 N -3.92 4.07 -0.04 3.54 -1.94 -1.26 -1.72 119.30 118.04 3mr1 s MET 109 Ca 0.07 0.68 0.02 0.00 -1.71 0.00 0.00 55.69 54.75 3mr1 s MET 109 Cb 0.08 -2.65 0.01 0.00 2.01 0.00 0.00 34.83 34.28 3mr1 s MET 109 CO -0.10 0.28 -0.06 0.71 -0.01 0.00 0.00 175.02 175.84 3mr1 s TYR 110 N -1.76 0.85 0.28 -0.03 2.02 0.41 -4.97 117.35 114.14 3mr1 s TYR 110 Ca 0.48 -0.24 -0.29 0.00 -0.37 0.00 0.00 57.07 56.65 3mr1 s TYR 110 Cb -0.13 -0.68 -0.09 0.00 -0.40 0.00 0.00 41.96 40.66 3mr1 s TYR 110 CO 0.19 -0.16 1.13 0.71 -1.57 0.00 0.00 175.55 175.85 3mr1 s TYR 111 N 0.63 3.52 -0.36 2.71 2.02 -1.26 -1.54 117.35 123.07 3mr1 s TYR 111 Ca -0.09 1.65 -0.06 0.00 -0.37 0.00 0.00 57.07 58.20 3mr1 s TYR 111 Cb -0.12 -3.33 0.06 0.00 -0.40 0.00 0.00 41.96 38.16 3mr1 s TYR 111 CO 0.01 -0.72 0.13 0.08 -1.57 0.00 0.00 175.55 173.48 3mr1 s VAL 112 N -1.06 3.67 0.00 0.71 1.01 -0.54 -4.82 120.40 119.37 3mr1 s VAL 112 Ca 0.46 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3mr1 s VAL 112 Cb -0.33 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3mr1 s VAL 112 CO 0.42 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3mr1 n GLY 113 N 4.77 2.71 3.63 4.51 0.00 -1.26 -0.67 105.19 118.88 3mr1 n GLY 113 Ca -0.11 -0.34 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3mr1 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mr1 s ASP 114 N -4.00 6.38 -0.12 1.61 1.01 -1.26 -4.79 116.67 115.49 3mr1 s ASP 114 Ca 0.00 0.45 -0.03 0.00 0.71 0.00 0.00 52.55 53.68 3mr1 s ASP 114 Cb 0.00 -2.24 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 3mr1 s ASP 114 CO 0.00 -0.18 -0.02 -0.69 0.21 0.00 0.00 175.17 174.49 3mr1 s VAL 115 N 1.87 4.13 0.90 -1.27 1.01 -1.26 -2.66 120.40 123.12 3mr1 s VAL 115 Ca 0.19 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 3mr1 s VAL 115 Cb -0.15 -2.77 0.13 0.00 0.00 0.00 0.00 36.38 33.58 3mr1 s VAL 115 CO 0.09 0.54 1.09 0.00 0.00 0.00 0.00 175.10 176.83 3mr1 s ALA 116 N -0.21 1.46 0.21 5.51 0.00 -1.26 -4.85 121.76 122.62 3mr1 s ALA 116 Ca 0.05 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 3mr1 s ALA 116 Cb -0.13 -3.26 0.16 0.00 0.00 0.00 0.00 23.12 19.89 3mr1 s ALA 116 CO 0.02 -2.47 1.86 0.97 0.00 0.00 0.00 175.76 176.14 3mr1 h ILE 117 N -1.64 1.22 -0.25 0.00 6.09 -1.99 -2.72 117.51 118.22 3mr1 h ILE 117 Ca -0.48 -0.46 -0.02 0.00 -1.37 0.00 0.00 64.86 62.52 3mr1 h ILE 117 Cb 1.27 0.13 -0.01 0.00 0.47 0.00 0.00 36.82 38.68 3mr1 h ILE 117 CO 0.51 0.22 0.06 0.11 -3.07 0.00 0.00 178.15 175.98 3mr1 h LYS 118 N 1.06 0.40 -0.66 2.19 1.57 -2.00 -0.54 116.57 118.58 3mr1 h LYS 118 Ca 0.28 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 3mr1 h LYS 118 Cb -0.05 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3mr1 h LYS 118 CO -0.05 0.49 0.40 -1.35 -0.57 0.00 0.00 179.45 178.37 3mr1 h PRO 119 N 0.23 0.75 -0.51 3.15 0.11 -1.95 -2.05 132.00 131.74 3mr1 h PRO 119 Ca 0.08 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.23 3mr1 h PRO 119 Cb 0.28 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 31.15 3mr1 h PRO 119 CO 0.00 0.50 0.12 0.87 -0.21 0.00 0.00 178.00 179.28 3mr1 h LYS 120 N 0.77 0.25 -0.63 1.05 1.57 -1.16 -1.63 116.57 116.79 3mr1 h LYS 120 Ca 0.27 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3mr1 h LYS 120 Cb 0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3mr1 h LYS 120 CO -0.12 0.17 0.31 0.00 -0.57 0.00 0.00 179.45 179.24 3mr1 h ARG 121 N 0.26 0.90 -0.31 3.15 3.08 -0.79 -1.41 114.38 119.26 3mr1 h ARG 121 Ca 0.25 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3mr1 h ARG 121 Cb 0.33 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3mr1 h ARG 121 CO -0.32 0.71 0.19 1.25 -1.07 0.00 0.00 179.97 180.74 3mr1 h LEU 122 N 0.86 0.33 -0.42 3.04 5.85 -1.11 -2.08 115.31 121.78 3mr1 h LEU 122 Ca 0.22 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3mr1 h LEU 122 Cb 0.10 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3mr1 h LEU 122 CO -0.03 0.24 0.25 0.40 -0.34 0.00 0.00 178.44 178.96 3mr1 h ILE 123 N 0.40 1.05 -0.22 4.05 2.04 -1.05 -1.93 117.51 121.84 3mr1 h ILE 123 Ca 0.12 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3mr1 h ILE 123 Cb -0.02 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3mr1 h ILE 123 CO -0.04 0.09 0.14 -0.61 0.00 0.00 0.00 178.15 177.73 3mr1 h GLN 124 N 0.51 0.29 -0.66 2.37 5.75 -1.01 -1.87 115.11 120.49 3mr1 h GLN 124 Ca 0.17 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 3mr1 h GLN 124 Cb 0.00 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 3mr1 h GLN 124 CO -0.07 0.21 0.14 0.28 -2.65 0.00 0.00 178.83 176.74 3mr1 h VAL 125 N 0.29 1.26 -0.34 2.39 2.07 -1.26 -1.74 116.25 118.93 3mr1 h VAL 125 Ca 0.08 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3mr1 h VAL 125 Cb -0.02 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3mr1 h VAL 125 CO -0.02 0.36 0.18 0.74 0.02 0.00 0.00 177.57 178.86 3mr1 h THR 126 N 1.00 1.00 0.01 2.57 2.02 -1.19 0.34 112.91 118.66 3mr1 h THR 126 Ca 0.21 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3mr1 h THR 126 Cb 0.38 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3mr1 h THR 126 CO 0.00 0.07 -0.01 0.22 0.37 0.00 0.00 175.52 176.17 3mr1 h TYR 127 N 0.37 -0.03 -0.47 3.16 3.20 -1.04 -1.41 116.97 120.75 3mr1 h TYR 127 Ca 0.14 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3mr1 h TYR 127 Cb 0.04 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3mr1 h TYR 127 CO -0.09 -0.02 0.05 -0.44 -1.64 0.00 0.00 178.16 176.02 3mr1 h ASP 128 N -0.02 0.70 -0.23 -2.11 3.32 -1.05 -1.37 116.42 115.65 3mr1 h ASP 128 Ca 0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3mr1 h ASP 128 Cb 0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3mr1 h ASP 128 CO -0.00 0.74 0.12 0.00 -1.72 0.00 0.00 179.24 178.38 3mr1 h ALA 129 N 1.35 0.30 -0.49 3.45 0.00 -0.23 -0.94 119.26 122.69 3mr1 h ALA 129 Ca 0.15 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3mr1 h ALA 129 Cb 0.36 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3mr1 h ALA 129 CO 0.01 -0.16 0.11 1.98 0.00 0.00 0.00 179.25 181.19 3mr1 h MET 130 N 0.26 0.25 -0.50 0.00 1.85 -0.90 -2.46 114.93 113.42 3mr1 h MET 130 Ca 0.08 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.12 3mr1 h MET 130 Cb 0.09 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 3mr1 h MET 130 CO -0.01 0.17 0.15 0.52 -0.40 0.00 0.00 176.91 177.33 3mr1 h MET 131 N 0.26 0.75 -0.48 0.39 2.07 -0.96 -1.69 114.93 115.26 3mr1 h MET 131 Ca 0.25 -0.13 -0.04 0.00 -2.07 0.00 0.00 59.70 57.71 3mr1 h MET 131 Cb 0.32 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 3mr1 h MET 131 CO -0.31 0.66 0.14 0.87 1.07 0.00 0.00 176.91 179.34 3mr1 h LYS 132 N 0.73 0.71 -0.17 1.72 1.79 -0.83 -0.37 116.57 120.16 3mr1 h LYS 132 Ca 0.17 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.45 3mr1 h LYS 132 Cb 0.23 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3mr1 h LYS 132 CO -0.01 0.63 -0.15 0.78 -1.08 0.00 0.00 179.45 179.62 3mr1 h GLY 133 N 0.89 0.44 0.99 3.86 0.00 -0.94 -3.13 103.07 105.17 3mr1 h GLY 133 Ca 0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3mr1 h GLY 133 CO -0.01 0.40 0.30 -2.22 0.00 0.00 0.00 176.54 175.01 3mr1 h ILE 134 N 0.05 1.18 0.00 2.60 2.04 -1.20 -3.11 117.51 119.07 3mr1 h ILE 134 Ca 0.03 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3mr1 h ILE 134 Cb 0.68 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3mr1 h ILE 134 CO 0.04 0.20 0.00 -0.33 0.00 0.00 0.00 178.15 178.06 3mr1 h GLU 135 N 0.74 0.00 0.00 2.37 5.08 -1.01 -0.52 114.58 121.24 3mr1 h GLU 135 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3mr1 h GLU 135 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3mr1 h GLU 135 CO -0.03 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.31 3mr1 n VAL 136 N -2.96 0.11 -2.50 3.13 0.24 -1.17 -4.91 118.33 110.27 3mr1 n VAL 136 Ca -0.02 0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 61.88 3mr1 n VAL 136 Cb 0.09 -0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 31.87 3mr1 n VAL 136 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3mr1 s VAL 137 N -2.81 4.39 -0.04 3.34 1.01 -0.21 -4.82 120.40 121.26 3mr1 s VAL 137 Ca 0.19 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 3mr1 s VAL 137 Cb 0.18 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 32.59 3mr1 s VAL 137 CO 0.46 -0.09 0.99 0.00 0.00 0.00 0.00 175.10 176.46 3mr1 s ARG 138 N 2.96 0.70 0.23 2.72 1.70 -1.26 -3.37 118.95 122.64 3mr1 s ARG 138 Ca 0.53 -0.28 -0.31 0.00 -0.47 0.00 0.00 55.73 55.20 3mr1 s ARG 138 Cb -0.21 0.31 -0.14 0.00 -0.57 0.00 0.00 34.95 34.34 3mr1 s ARG 138 CO 0.15 -0.31 1.31 -2.30 -1.08 0.00 0.00 175.30 173.08 3mr1 n PRO 139 N -0.23 1.76 0.00 3.89 -0.02 -1.26 -2.15 135.00 136.99 3mr1 n PRO 139 Ca -0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3mr1 n PRO 139 Cb 0.61 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3mr1 n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mr1 n GLY 140 N 1.99 3.34 3.76 -1.23 0.00 -0.44 -4.97 105.19 107.65 3mr1 n GLY 140 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3mr1 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mr1 s ALA 141 N -2.56 2.10 0.12 4.61 0.00 -0.91 -4.74 121.76 120.37 3mr1 s ALA 141 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.10 3mr1 s ALA 141 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3mr1 s ALA 141 CO 0.00 -1.87 0.04 0.15 0.00 0.00 0.00 175.76 174.08 3mr1 s LYS 142 N -4.96 2.65 0.20 0.00 -0.14 -1.26 -0.34 119.74 115.88 3mr1 s LYS 142 Ca 0.61 -0.87 -0.11 0.00 -1.36 0.00 0.00 55.97 54.25 3mr1 s LYS 142 Cb -0.17 -2.56 0.23 0.00 -1.68 0.00 0.00 37.83 33.65 3mr1 s LYS 142 CO 0.56 0.52 1.77 1.25 -0.76 0.00 0.00 175.35 178.68 3mr1 h LEU 143 N 3.08 0.32 -0.79 3.17 5.85 -1.10 -0.46 115.31 125.39 3mr1 h LEU 143 Ca -0.47 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3mr1 h LEU 143 Cb 1.18 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3mr1 h LEU 143 CO 0.61 0.21 0.00 0.61 -0.34 0.00 0.00 178.44 179.53 3mr1 n GLY 144 N -1.28 -1.03 0.32 3.75 0.00 0.23 -2.15 105.19 105.03 3mr1 n GLY 144 Ca 0.07 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3mr1 n GLY 144 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3mr1 h ASP 145 N 0.00 0.68 0.71 1.61 3.32 -1.26 -1.93 116.42 119.55 3mr1 h ASP 145 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3mr1 h ASP 145 Cb 0.20 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.58 3mr1 h ASP 145 CO 0.00 0.55 -0.34 0.40 -1.72 0.00 0.00 179.24 178.13 3mr1 h ILE 146 N 0.77 0.30 -0.80 0.35 1.08 -1.55 -2.19 117.51 115.47 3mr1 h ILE 146 Ca 0.20 -0.02 -0.04 0.00 -0.39 0.00 0.00 64.86 64.61 3mr1 h ILE 146 Cb 0.01 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 3mr1 h ILE 146 CO -0.03 0.00 0.35 1.23 -0.69 0.00 0.00 178.15 179.01 3mr1 h GLY 147 N -0.96 1.26 0.68 5.37 0.00 -1.56 -1.85 103.07 106.01 3mr1 h GLY 147 Ca -0.10 -0.66 0.04 0.00 0.00 0.00 0.00 47.33 46.61 3mr1 h GLY 147 CO 0.16 0.62 0.01 -1.82 0.00 0.00 0.00 176.54 175.51 3mr1 h TYR 148 N 1.15 0.01 -0.44 5.60 3.20 -1.37 -0.32 116.97 124.80 3mr1 h TYR 148 Ca 0.27 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.17 3mr1 h TYR 148 Cb 0.17 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3mr1 h TYR 148 CO 0.02 -0.02 0.29 0.00 -1.64 0.00 0.00 178.16 176.80 3mr1 h ALA 149 N 1.18 0.56 0.55 1.82 0.00 -1.11 -0.43 119.26 121.84 3mr1 h ALA 149 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3mr1 h ALA 149 Cb 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3mr1 h ALA 149 CO -0.17 -0.00 -0.27 0.82 0.00 0.00 0.00 179.25 179.63 3mr1 h ILE 150 N 0.58 0.36 -0.37 0.00 2.04 -1.22 -2.55 117.51 116.35 3mr1 h ILE 150 Ca 0.17 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.75 3mr1 h ILE 150 Cb -0.05 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3mr1 h ILE 150 CO -0.05 0.04 0.18 -0.61 0.00 0.00 0.00 178.15 177.71 3mr1 h GLN 151 N -0.96 0.35 -0.51 2.37 4.15 -1.01 -1.81 115.11 117.69 3mr1 h GLN 151 Ca -0.08 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.39 3mr1 h GLN 151 Cb 0.64 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 3mr1 h GLN 151 CO 0.12 0.23 0.20 0.77 -1.93 0.00 0.00 178.83 178.23 3mr1 h SER 152 N 0.36 0.24 0.28 -0.69 0.02 -1.14 0.22 113.55 112.84 3mr1 h SER 152 Ca 0.16 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3mr1 h SER 152 Cb 0.08 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3mr1 h SER 152 CO -0.12 0.16 -0.13 0.22 -1.14 0.00 0.00 176.83 175.82 3mr1 h TYR 153 N 0.40 -0.35 -0.03 3.45 5.03 -1.17 -1.95 116.97 122.35 3mr1 h TYR 153 Ca 0.24 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.55 3mr1 h TYR 153 Cb 0.23 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 3mr1 h TYR 153 CO -0.14 -0.07 -0.02 0.00 -1.32 0.00 0.00 178.16 176.61 3mr1 h ALA 154 N 0.06 0.01 -0.71 1.82 0.00 -1.20 -2.98 119.26 116.26 3mr1 h ALA 154 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3mr1 h ALA 154 Cb 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3mr1 h ALA 154 CO 0.06 -0.50 0.38 0.93 0.00 0.00 0.00 179.25 180.12 3mr1 h GLU 155 N -0.02 0.99 0.00 0.00 5.08 -1.01 -2.25 114.58 117.38 3mr1 h GLU 155 Ca 0.02 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3mr1 h GLU 155 Cb 0.04 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3mr1 h GLU 155 CO -0.04 0.74 0.00 1.57 -1.00 0.00 0.00 179.01 180.27 3mr1 h LYS 156 N 1.00 0.00 -0.62 2.33 5.09 -1.20 -1.60 116.57 121.57 3mr1 h LYS 156 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.99 3mr1 h LYS 156 Cb 0.04 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.37 3mr1 h LYS 156 CO -0.04 0.00 0.00 0.72 -2.09 0.00 0.00 179.45 178.04 3mr1 n HIS 157 N -2.36 1.12 -1.69 0.07 8.25 -0.89 -4.95 115.22 114.78 3mr1 n HIS 157 Ca 0.02 -0.46 -0.08 0.00 -0.26 0.00 0.00 57.72 56.94 3mr1 n HIS 157 Cb 0.24 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 3mr1 n HIS 157 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3mr1 n ASN 158 N 0.87 -3.47 -4.89 0.41 5.15 -0.60 -5.05 115.26 107.68 3mr1 n ASN 158 Ca 0.20 0.10 -0.24 0.00 -0.60 0.00 0.00 54.58 54.04 3mr1 n ASN 158 Cb 0.70 -2.23 -0.02 0.00 -0.53 0.00 0.00 39.78 37.70 3mr1 n ASN 158 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3mr1 s TYR 159 N -2.36 2.09 0.29 1.20 2.02 -0.97 -4.91 117.35 114.72 3mr1 s TYR 159 Ca 0.00 -0.68 0.09 0.00 -0.37 0.00 0.00 57.07 56.10 3mr1 s TYR 159 Cb 0.00 -2.04 -0.06 0.00 -0.40 0.00 0.00 41.96 39.47 3mr1 s TYR 159 CO 0.00 -0.34 -0.10 -1.54 -1.57 0.00 0.00 175.55 171.99 3mr1 s SER 160 N -4.22 3.21 -0.18 2.29 1.04 -0.75 -3.85 113.70 111.24 3mr1 s SER 160 Ca 0.42 -1.15 -0.01 0.00 0.48 0.00 0.00 55.95 55.69 3mr1 s SER 160 Cb -0.02 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 3mr1 s SER 160 CO 0.25 -0.21 -0.12 -0.69 0.98 0.00 0.00 173.24 173.45 3mr1 s VAL 161 N -2.79 2.83 0.14 5.02 1.01 -1.26 -1.51 120.40 123.85 3mr1 s VAL 161 Ca 0.30 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.27 3mr1 s VAL 161 Cb 0.01 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 3mr1 s VAL 161 CO 0.13 0.49 1.43 -0.69 0.00 0.00 0.00 175.10 176.46 3mr1 s VAL 162 N 1.11 3.08 -0.15 2.92 1.01 -0.85 -4.83 120.40 122.69 3mr1 s VAL 162 Ca 0.00 0.79 0.18 0.00 0.00 0.00 0.00 61.98 62.96 3mr1 s VAL 162 Cb -0.14 -3.51 -0.26 0.00 0.00 0.00 0.00 36.38 32.47 3mr1 s VAL 162 CO -0.04 0.07 0.17 0.54 0.00 0.00 0.00 175.10 175.85 3mr1 n ARG 163 N 3.73 0.76 0.00 2.72 1.74 -1.26 -4.69 116.66 119.67 3mr1 n ARG 163 Ca 0.11 -0.06 0.13 0.00 -0.77 0.00 0.00 57.85 57.26 3mr1 n ARG 163 Cb 0.41 -1.50 0.40 0.00 -1.02 0.00 0.00 32.46 30.75 3mr1 n ARG 163 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3mr1 n ASP 164 N -2.60 0.50 -4.20 0.55 8.00 -1.26 -4.78 116.55 112.77 3mr1 n ASP 164 Ca -0.25 -0.29 -0.25 0.00 0.71 0.00 0.00 54.79 54.71 3mr1 n ASP 164 Cb 0.98 0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.98 3mr1 n ASP 164 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3mr1 s TYR 165 N -2.82 1.66 0.14 1.24 1.51 -1.26 -5.15 117.35 112.67 3mr1 s TYR 165 Ca 0.17 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 3mr1 s TYR 165 Cb 0.19 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 3mr1 s TYR 165 CO 0.60 0.01 -0.00 0.95 -1.11 0.00 0.00 175.55 175.99 3mr1 s THR 166 N -0.57 0.52 1.27 -0.71 -4.23 -1.26 -4.76 115.64 105.90 3mr1 s THR 166 Ca 0.07 -1.94 -0.21 0.00 -1.18 0.00 0.00 61.69 58.43 3mr1 s THR 166 Cb -0.08 -1.96 0.31 0.00 1.34 0.00 0.00 72.50 72.12 3mr1 s THR 166 CO 0.00 -0.61 1.08 -0.83 -0.54 0.00 0.00 174.62 173.72 3mr1 s GLY 167 N -3.10 1.55 -0.05 3.99 0.00 -0.29 -4.82 107.32 104.61 3mr1 s GLY 167 Ca 0.20 -0.99 -0.31 0.00 0.00 0.00 0.00 44.72 43.63 3mr1 s GLY 167 CO 0.00 -0.05 0.69 -2.38 0.00 0.00 0.00 173.10 171.36 3mr1 s HIS 168 N -2.87 -0.65 0.69 1.90 -3.43 -1.23 -1.09 115.29 108.62 3mr1 s HIS 168 Ca 0.71 1.08 -0.17 0.00 -0.80 0.00 0.00 55.06 55.89 3mr1 s HIS 168 Cb -0.09 0.42 -0.05 0.00 -1.43 0.00 0.00 32.58 31.43 3mr1 s HIS 168 CO 0.56 -0.61 0.55 0.41 -2.00 0.00 0.00 174.74 173.65 3mr1 n GLY 169 N 0.85 -1.46 3.46 -1.38 0.00 -0.19 -0.70 105.19 105.77 3mr1 n GLY 169 Ca -0.19 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 3mr1 n GLY 169 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mr1 s ILE 170 N -1.86 0.00 0.00 -0.61 2.07 -1.10 -0.34 121.20 119.37 3mr1 s ILE 170 Ca 0.67 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.91 3mr1 s ILE 170 Cb -0.37 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.22 3mr1 s ILE 170 CO 0.57 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.21 3mr1 n GLY 171 N 0.04 -1.39 0.19 1.50 0.00 -1.26 -4.60 105.19 99.66 3mr1 n GLY 171 Ca -0.17 0.60 0.13 0.00 0.00 0.00 0.00 46.02 46.58 3mr1 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mr1 n ARG 172 N 0.00 0.76 -4.61 1.61 1.74 -1.26 -1.31 116.66 113.59 3mr1 n ARG 172 Ca 0.00 -0.38 -0.26 0.00 -0.77 0.00 0.00 57.85 56.44 3mr1 n ARG 172 Cb 0.00 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.81 3mr1 n ARG 172 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mr1 s VAL 173 N -2.50 1.80 0.02 1.55 1.01 -1.26 -4.92 120.40 116.10 3mr1 s VAL 173 Ca 0.26 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.66 3mr1 s VAL 173 Cb 0.20 -1.57 -0.14 0.00 0.00 0.00 0.00 36.38 34.86 3mr1 s VAL 173 CO 0.50 0.18 1.19 0.15 0.00 0.00 0.00 175.10 177.12 3mr1 h PHE 174 N 4.65 -0.84 -3.60 5.22 3.04 -1.89 -3.40 116.94 120.11 3mr1 h PHE 174 Ca -0.44 -0.02 -0.67 0.00 3.98 0.00 0.00 57.97 60.81 3mr1 h PHE 174 Cb 1.16 0.28 -0.36 0.00 2.56 0.00 0.00 35.95 39.59 3mr1 h PHE 174 CO 0.52 -0.52 -0.80 -1.01 -2.02 0.00 0.00 178.31 174.48 3mr1 s HIS 175 N -4.69 3.11 0.37 0.41 3.76 -1.26 -4.48 115.29 112.51 3mr1 s HIS 175 Ca -0.13 -2.03 0.04 0.00 -0.15 0.00 0.00 55.06 52.78 3mr1 s HIS 175 Cb 0.01 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 3mr1 s HIS 175 CO 0.40 -0.84 0.08 0.34 -0.85 0.00 0.00 174.74 173.87 3mr1 s ASP 176 N 1.19 2.68 0.59 1.40 -1.08 0.54 -4.98 116.67 117.02 3mr1 s ASP 176 Ca -0.04 -1.52 -0.15 0.00 -0.52 0.00 0.00 52.55 50.32 3mr1 s ASP 176 Cb -0.18 0.20 -0.04 0.00 -1.46 0.00 0.00 42.92 41.44 3mr1 s ASP 176 CO -0.07 -0.75 1.04 -1.59 0.52 0.00 0.00 175.17 174.31 3mr1 s LYS 177 N -3.82 3.44 0.58 4.34 -2.85 -1.26 -1.02 119.74 119.15 3mr1 s LYS 177 Ca 0.29 1.07 0.01 0.00 -1.00 0.00 0.00 55.97 56.34 3mr1 s LYS 177 Cb 0.06 -2.06 0.05 0.00 -2.06 0.00 0.00 37.83 33.82 3mr1 s LYS 177 CO 0.14 -0.70 0.81 -1.25 0.10 0.00 0.00 175.35 174.45 3mr1 s PRO 178 N -4.29 2.40 0.17 1.78 0.04 -1.26 -3.84 135.00 130.01 3mr1 s PRO 178 Ca 0.61 -0.83 -0.30 0.00 0.04 0.00 0.00 61.00 60.52 3mr1 s PRO 178 Cb -0.14 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.87 3mr1 s PRO 178 CO 0.39 -0.84 1.06 -1.12 0.04 0.00 0.00 177.00 176.54 3mr1 s SER 179 N -4.48 7.33 -0.61 6.66 0.01 -1.26 -1.86 113.70 119.49 3mr1 s SER 179 Ca 0.59 2.03 -0.11 0.00 1.31 0.00 0.00 55.95 59.77 3mr1 s SER 179 Cb -0.10 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.69 3mr1 s SER 179 CO 0.39 -0.16 0.52 -0.63 0.41 0.00 0.00 173.24 173.77 3mr1 s ILE 180 N -0.29 4.78 0.40 1.44 -1.09 -0.25 -4.93 121.20 121.26 3mr1 s ILE 180 Ca 0.48 -2.08 -0.25 0.00 -2.23 0.00 0.00 60.65 56.57 3mr1 s ILE 180 Cb -0.28 -4.06 -0.09 0.00 -1.58 0.00 0.00 42.46 36.45 3mr1 s ILE 180 CO 0.34 -0.89 1.14 -0.76 -1.23 0.00 0.00 174.94 173.54 3mr1 s LEU 181 N 0.87 4.19 0.00 2.97 1.02 -1.26 -1.14 118.68 125.33 3mr1 s LEU 181 Ca 0.10 2.27 0.17 0.00 0.02 0.00 0.00 54.13 56.69 3mr1 s LEU 181 Cb -0.22 -4.05 0.58 0.00 0.02 0.00 0.00 46.19 42.52 3mr1 s LEU 181 CO -0.03 -0.62 1.43 0.59 0.02 0.00 0.00 176.35 177.75 3mr1 n ASN 182 N 0.06 1.68 -3.81 2.29 3.02 -1.26 -3.43 115.26 113.80 3mr1 n ASN 182 Ca 0.04 -1.82 -0.10 0.00 -0.03 0.00 0.00 54.58 52.68 3mr1 n ASN 182 Cb 0.47 -0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.42 3mr1 n ASN 182 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3mr1 s TYR 183 N -1.70 0.04 -4.97 3.10 1.13 -1.23 -3.18 117.35 110.53 3mr1 s TYR 183 Ca 0.28 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 3mr1 s TYR 183 Cb 0.15 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 41.02 3mr1 s TYR 183 CO 0.22 -0.51 0.00 0.41 -2.51 0.00 0.00 175.55 173.16 3mr1 n GLY 184 N 0.33 -1.85 3.84 5.49 0.00 -1.24 -4.54 105.19 107.22 3mr1 n GLY 184 Ca -0.17 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 3mr1 n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mr1 s ARG 185 N -1.99 3.79 0.42 1.61 3.00 -1.26 -3.88 118.95 120.64 3mr1 s ARG 185 Ca 0.00 0.21 -0.26 0.00 0.00 0.00 0.00 55.73 55.69 3mr1 s ARG 185 Cb 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 34.95 31.62 3mr1 s ARG 185 CO 0.00 0.68 1.29 -1.71 0.00 0.00 0.00 175.30 175.56 3mr1 n ASN 186 N 2.02 2.67 0.00 0.23 5.15 -1.26 -3.05 115.26 121.02 3mr1 n ASN 186 Ca -0.16 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 3mr1 n ASN 186 Cb 0.53 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.27 3mr1 n ASN 186 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3mr1 n GLY 187 N 0.78 0.22 3.93 8.20 0.00 -1.26 -4.92 105.19 112.14 3mr1 n GLY 187 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3mr1 n GLY 187 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mr1 s THR 188 N -1.44 3.25 0.00 2.61 -4.23 -1.17 -4.92 115.64 109.73 3mr1 s THR 188 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3mr1 s THR 188 Cb 0.00 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.55 3mr1 s THR 188 CO 0.00 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 3mr1 n GLY 189 N -2.54 -2.86 3.76 3.99 0.00 -1.26 -0.60 105.19 105.68 3mr1 n GLY 189 Ca 0.05 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 3mr1 n GLY 189 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3mr1 s LEU 190 N 0.00 2.40 -0.14 0.99 0.05 -1.26 -4.55 118.68 116.17 3mr1 s LEU 190 Ca 0.00 1.38 -0.16 0.00 0.05 0.00 0.00 54.13 55.40 3mr1 s LEU 190 Cb 0.00 -3.89 -0.04 0.00 -2.05 0.00 0.00 46.19 40.21 3mr1 s LEU 190 CO 0.00 -2.33 0.40 -0.89 -0.55 0.00 0.00 176.35 172.98 3mr1 s THR 191 N -3.05 5.24 0.38 5.48 2.01 -1.26 -1.05 115.64 123.38 3mr1 s THR 191 Ca 0.62 0.78 -0.27 0.00 0.31 0.00 0.00 61.69 63.13 3mr1 s THR 191 Cb -0.16 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 3mr1 s THR 191 CO 0.56 0.35 1.27 -0.76 -0.69 0.00 0.00 174.62 175.34 3mr1 s LEU 192 N 0.61 4.29 0.05 4.42 1.02 0.54 -4.86 118.68 124.75 3mr1 s LEU 192 Ca 0.22 2.59 0.06 0.00 0.02 0.00 0.00 54.13 57.01 3mr1 s LEU 192 Cb -0.14 -3.84 -0.03 0.00 0.02 0.00 0.00 46.19 42.21 3mr1 s LEU 192 CO 0.07 -0.69 -0.17 -1.59 0.02 0.00 0.00 176.35 174.00 3mr1 s LYS 193 N -2.08 1.07 0.15 1.70 -2.85 -1.26 -1.33 119.74 115.14 3mr1 s LYS 193 Ca 0.54 -0.90 -0.34 0.00 -1.00 0.00 0.00 55.97 54.27 3mr1 s LYS 193 Cb -0.37 -1.15 -0.16 0.00 -2.06 0.00 0.00 37.83 34.10 3mr1 s LYS 193 CO 0.48 0.28 1.26 -1.91 0.10 0.00 0.00 175.35 175.56 3mr1 n GLU 194 N 1.67 1.29 -0.03 1.78 2.13 -1.26 -2.53 120.64 123.69 3mr1 n GLU 194 Ca -0.18 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3mr1 n GLU 194 Cb 0.54 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3mr1 n GLU 194 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mr1 n GLY 195 N 2.25 0.36 3.74 8.31 0.00 -0.01 -4.73 105.19 115.12 3mr1 n GLY 195 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3mr1 n GLY 195 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mr1 s MET 196 N -0.94 4.70 -0.08 1.61 -1.94 -1.05 -0.40 119.30 121.20 3mr1 s MET 196 Ca 0.00 1.56 0.03 0.00 -1.71 0.00 0.00 55.69 55.58 3mr1 s MET 196 Cb 0.00 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.51 3mr1 s MET 196 CO 0.00 0.23 -0.17 -0.06 -0.01 0.00 0.00 175.02 175.01 3mr1 s PHE 197 N -0.39 2.66 0.21 -0.03 0.08 -1.26 -1.04 117.98 118.22 3mr1 s PHE 197 Ca 0.46 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.82 3mr1 s PHE 197 Cb -0.26 -1.69 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 3mr1 s PHE 197 CO 0.32 -0.05 0.72 -0.59 -0.10 0.00 0.00 175.22 175.52 3mr1 s PHE 198 N -0.23 -0.30 0.15 0.36 -0.12 -0.73 -2.70 117.98 114.41 3mr1 s PHE 198 Ca 0.00 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 56.87 3mr1 s PHE 198 Cb -0.13 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3mr1 s PHE 198 CO 0.03 -1.04 0.23 0.95 -0.05 0.00 0.00 175.22 175.34 3mr1 s THR 199 N -3.75 5.02 -0.20 -4.49 -4.23 0.12 -0.76 115.64 107.34 3mr1 s THR 199 Ca 0.08 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3mr1 s THR 199 Cb -0.04 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.28 3mr1 s THR 199 CO -0.01 -0.08 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.21 3mr1 s VAL 200 N -1.73 1.56 -0.38 2.29 1.01 -0.67 -3.50 120.40 118.98 3mr1 s VAL 200 Ca 0.33 -1.01 0.11 0.00 0.00 0.00 0.00 61.98 61.41 3mr1 s VAL 200 Cb -0.11 -1.69 0.34 0.00 0.00 0.00 0.00 36.38 34.92 3mr1 s VAL 200 CO 0.27 0.10 0.74 -1.84 0.00 0.00 0.00 175.10 174.37 3mr1 n GLU 201 N 4.70 0.94 -2.20 2.72 0.28 -1.26 -2.38 120.64 123.45 3mr1 n GLU 201 Ca -0.14 -3.23 -0.39 0.00 -0.16 0.00 0.00 57.16 53.25 3mr1 n GLU 201 Cb 0.46 -1.60 -0.01 0.00 1.43 0.00 0.00 31.44 31.72 3mr1 n GLU 201 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3mr1 s PRO 202 N -2.04 4.05 -0.14 3.44 0.04 -1.22 -4.74 135.00 134.37 3mr1 s PRO 202 Ca 0.38 1.97 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 3mr1 s PRO 202 Cb 0.32 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 3mr1 s PRO 202 CO -0.08 -0.37 -0.13 -1.64 0.04 0.00 0.00 177.00 174.82 3mr1 s MET 203 N -2.23 3.34 -0.09 4.56 -1.94 -1.26 -3.35 119.30 118.33 3mr1 s MET 203 Ca 0.56 -0.70 0.03 0.00 -1.71 0.00 0.00 55.69 53.88 3mr1 s MET 203 Cb -0.34 -2.66 0.01 0.00 2.01 0.00 0.00 34.83 33.84 3mr1 s MET 203 CO 0.43 0.13 -0.19 0.42 -0.01 0.00 0.00 175.02 175.79 3mr1 s ILE 204 N 0.57 1.73 -0.12 2.53 -1.09 -0.29 -2.00 121.20 122.53 3mr1 s ILE 204 Ca -0.08 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 57.45 3mr1 s ILE 204 Cb -0.16 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 3mr1 s ILE 204 CO 0.03 0.49 0.14 0.20 -1.23 0.00 0.00 174.94 174.57 3mr1 s ASN 205 N 0.55 6.39 0.44 3.58 0.01 -0.57 -0.95 114.94 124.38 3mr1 s ASN 205 Ca -0.15 0.46 0.14 0.00 -0.71 0.00 0.00 52.86 52.60 3mr1 s ASN 205 Cb -0.17 -2.07 0.96 0.00 0.41 0.00 0.00 41.25 40.38 3mr1 s ASN 205 CO 0.05 0.40 1.96 0.00 -1.51 0.00 0.00 177.10 178.00 3mr1 h ALA 206 N 5.08 1.64 -3.00 0.60 0.00 -1.39 -1.99 119.26 120.21 3mr1 h ALA 206 Ca -0.54 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3mr1 h ALA 206 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3mr1 h ALA 206 CO 0.59 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.52 3mr1 n GLY 207 N -0.92 1.45 3.79 0.00 0.00 -1.26 -4.78 105.19 103.47 3mr1 n GLY 207 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3mr1 n GLY 207 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mr1 s ASN 208 N 0.28 5.92 0.51 1.61 3.84 -1.26 -4.08 114.94 121.75 3mr1 s ASN 208 Ca 0.00 1.97 0.31 0.00 0.21 0.00 0.00 52.86 55.35 3mr1 s ASN 208 Cb 0.00 -2.56 1.12 0.00 -0.55 0.00 0.00 41.25 39.27 3mr1 s ASN 208 CO 0.00 -1.08 1.89 0.10 -2.79 0.00 0.00 177.10 175.22 3mr1 h TYR 209 N 1.03 0.00 -3.24 0.43 -0.00 -1.90 -3.46 116.97 109.82 3mr1 h TYR 209 Ca -0.49 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 57.72 3mr1 h TYR 209 Cb 1.23 0.00 0.06 0.00 -0.00 0.00 0.00 36.73 38.02 3mr1 h TYR 209 CO 0.56 0.00 0.81 0.34 -0.00 0.00 0.00 178.16 179.87 3mr1 s ASP 210 N -5.72 6.59 0.30 0.10 2.15 -1.26 -4.51 116.67 114.32 3mr1 s ASP 210 Ca 0.03 2.71 0.06 0.00 0.43 0.00 0.00 52.55 55.77 3mr1 s ASP 210 Cb 0.08 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 40.02 3mr1 s ASP 210 CO 0.56 -0.77 -0.02 0.42 -0.17 0.00 0.00 175.17 175.20 3mr1 s THR 211 N 0.26 1.51 -0.04 1.71 -4.23 -1.26 -1.50 115.64 112.08 3mr1 s THR 211 Ca 0.62 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 3mr1 s THR 211 Cb -0.43 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 70.84 3mr1 s THR 211 CO 0.41 -0.19 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.63 3mr1 s ILE 212 N -3.09 0.50 -0.16 2.99 1.01 0.23 -4.77 121.20 117.92 3mr1 s ILE 212 Ca 0.32 -0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 3mr1 s ILE 212 Cb 0.06 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3mr1 s ILE 212 CO 0.13 0.22 0.52 -0.22 0.00 0.00 0.00 174.94 175.59 3mr1 s LEU 213 N 0.95 4.21 -0.19 2.97 2.96 -1.26 -1.12 118.68 127.19 3mr1 s LEU 213 Ca -0.11 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 3mr1 s LEU 213 Cb -0.14 -2.74 -0.06 0.00 0.50 0.00 0.00 46.19 43.74 3mr1 s LEU 213 CO -0.00 -0.11 2.18 -0.24 -1.32 0.00 0.00 176.35 176.86 3mr1 n SER 214 N 4.30 3.29 -0.27 3.68 2.88 0.45 -4.83 113.62 123.13 3mr1 n SER 214 Ca -0.05 0.34 -0.04 0.00 -1.33 0.00 0.00 58.87 57.79 3mr1 n SER 214 Cb 0.51 -1.52 0.07 0.00 -0.75 0.00 0.00 64.21 62.52 3mr1 n SER 214 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3mr1 h LYS 215 N 14.08 0.93 0.21 -1.46 1.79 -1.95 0.37 116.57 130.54 3mr1 h LYS 215 Ca -0.41 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 3mr1 h LYS 215 Cb 1.25 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 3mr1 h LYS 215 CO 0.96 0.61 -0.45 1.25 -1.08 0.00 0.00 179.45 180.74 3mr1 h LEU 216 N 0.95 -1.33 0.00 2.94 5.85 -1.99 -3.31 115.31 118.43 3mr1 h LEU 216 Ca 0.28 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.13 3mr1 h LEU 216 Cb -0.05 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3mr1 h LEU 216 CO -0.09 -0.51 -1.11 -0.90 -0.34 0.00 0.00 178.44 175.49 3mr1 n ASP 217 N -5.07 0.79 0.00 1.25 5.68 -1.24 -5.00 116.55 112.96 3mr1 n ASP 217 Ca -0.08 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 3mr1 n ASP 217 Cb 0.37 1.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.43 3mr1 n ASP 217 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mr1 n GLY 218 N 1.45 1.16 0.77 6.12 0.00 0.12 -4.78 105.19 110.04 3mr1 n GLY 218 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3mr1 n GLY 218 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3mr1 n TRP 219 N -2.00 0.00 -2.06 1.61 7.02 -1.26 -4.91 117.44 115.84 3mr1 n TRP 219 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 3mr1 n TRP 219 Cb 0.00 0.12 -0.03 0.00 -2.42 0.00 0.00 31.31 28.98 3mr1 n TRP 219 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 3mr1 s THR 220 N -1.80 3.60 -0.18 -0.99 2.01 -1.25 -4.68 115.64 112.35 3mr1 s THR 220 Ca 0.00 0.80 -0.06 0.00 0.31 0.00 0.00 61.69 62.74 3mr1 s THR 220 Cb 0.00 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3mr1 s THR 220 CO 0.00 -0.06 0.03 -0.69 -0.69 0.00 0.00 174.62 173.22 3mr1 s VAL 221 N 3.64 4.50 0.20 3.82 1.01 -0.96 -0.41 120.40 132.21 3mr1 s VAL 221 Ca 0.71 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.63 3mr1 s VAL 221 Cb -0.33 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3mr1 s VAL 221 CO 0.28 0.47 -0.16 0.42 0.00 0.00 0.00 175.10 176.11 3mr1 s THR 222 N 0.40 1.79 0.23 3.92 -4.23 -0.28 0.11 115.64 117.58 3mr1 s THR 222 Ca 0.01 -2.14 -0.30 0.00 -1.18 0.00 0.00 61.69 58.08 3mr1 s THR 222 Cb -0.13 -2.00 -0.09 0.00 1.34 0.00 0.00 72.50 71.62 3mr1 s THR 222 CO 0.01 -0.51 1.24 0.42 -0.54 0.00 0.00 174.62 175.24 3mr1 s THR 223 N -2.70 3.28 0.18 3.99 -4.23 -0.73 -0.60 115.64 114.84 3mr1 s THR 223 Ca 0.21 1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 61.72 3mr1 s THR 223 Cb -0.02 -3.72 0.10 0.00 1.34 0.00 0.00 72.50 70.20 3mr1 s THR 223 CO 0.07 0.20 1.81 -0.09 -0.54 0.00 0.00 174.62 176.08 3mr1 h ARG 224 N 4.79 0.85 -0.03 3.99 2.43 -1.57 -2.30 114.38 122.56 3mr1 h ARG 224 Ca -0.46 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3mr1 h ARG 224 Cb 1.22 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3mr1 h ARG 224 CO 0.73 0.63 0.00 -0.40 -1.51 0.00 0.00 179.97 179.42 3mr1 n ASP 225 N -4.58 0.27 -1.23 -3.80 5.75 -1.26 -4.89 116.55 106.81 3mr1 n ASP 225 Ca 0.04 -1.51 -0.16 0.00 -0.01 0.00 0.00 54.79 53.15 3mr1 n ASP 225 Cb 0.07 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 3mr1 n ASP 225 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3mr1 n LYS 226 N -0.58 -1.11 -1.72 0.11 4.76 -0.86 -5.00 118.16 113.75 3mr1 n LYS 226 Ca 0.13 1.06 -0.30 0.00 -2.87 0.00 0.00 58.31 56.33 3mr1 n LYS 226 Cb 0.10 -5.24 0.06 0.00 -1.84 0.00 0.00 35.03 28.11 3mr1 n LYS 226 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3mr1 s SER 227 N -2.83 5.23 0.69 4.39 1.04 -1.26 -4.82 113.70 116.14 3mr1 s SER 227 Ca 0.00 1.31 -0.16 0.00 0.48 0.00 0.00 55.95 57.58 3mr1 s SER 227 Cb 0.00 -2.14 0.02 0.00 0.10 0.00 0.00 66.02 64.00 3mr1 s SER 227 CO 0.00 -1.50 1.21 -0.76 0.98 0.00 0.00 173.24 173.16 3mr1 s LEU 228 N -5.50 3.42 -0.00 2.42 1.43 -1.26 -4.34 118.68 114.84 3mr1 s LEU 228 Ca 0.59 2.35 -0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3mr1 s LEU 228 Cb -0.13 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.50 3mr1 s LEU 228 CO 0.53 -2.04 0.01 -0.55 0.23 0.00 0.00 176.35 174.53 3mr1 s SER 229 N -1.94 0.02 0.09 2.29 0.15 -0.88 -1.00 113.70 112.43 3mr1 s SER 229 Ca 0.75 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 57.39 3mr1 s SER 229 Cb -0.29 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.02 3mr1 s SER 229 CO 0.42 -0.05 -0.12 0.00 1.20 0.00 0.00 173.24 174.69 3mr1 s ALA 230 N -0.22 1.12 -0.03 5.45 0.00 -0.12 -4.74 121.76 123.23 3mr1 s ALA 230 Ca -0.02 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 3mr1 s ALA 230 Cb -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3mr1 s ALA 230 CO -0.00 0.05 0.15 -1.14 0.00 0.00 0.00 175.76 174.82 3mr1 s GLN 231 N -2.30 0.35 0.09 0.00 0.74 -1.26 -1.14 119.66 116.14 3mr1 s GLN 231 Ca 0.02 -0.11 0.03 0.00 0.05 0.00 0.00 55.36 55.35 3mr1 s GLN 231 Cb -0.06 0.15 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 3mr1 s GLN 231 CO 0.01 -0.07 -0.09 -0.06 -0.55 0.00 0.00 175.29 174.53 3mr1 s PHE 232 N -0.70 0.97 -0.10 1.67 0.08 -1.21 -4.02 117.98 114.67 3mr1 s PHE 232 Ca -0.08 -0.71 -0.07 0.00 0.12 0.00 0.00 56.93 56.19 3mr1 s PHE 232 Cb -0.05 -0.54 0.03 0.00 -0.57 0.00 0.00 43.02 41.90 3mr1 s PHE 232 CO 0.01 -0.05 0.25 -2.00 -0.10 0.00 0.00 175.22 173.33 3mr1 s GLU 233 N -2.97 0.25 0.12 0.44 2.12 -0.85 -3.45 118.70 114.36 3mr1 s GLU 233 Ca 0.06 0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.90 3mr1 s GLU 233 Cb -0.01 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 3mr1 s GLU 233 CO -0.01 -0.10 -0.20 -1.01 -0.54 0.00 0.00 175.26 173.40 3mr1 s HIS 234 N 0.69 1.79 -0.19 5.30 3.76 -1.00 -2.14 115.29 123.49 3mr1 s HIS 234 Ca -0.05 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.30 3mr1 s HIS 234 Cb -0.06 -0.96 -0.05 0.00 1.11 0.00 0.00 32.58 32.63 3mr1 s HIS 234 CO -0.04 0.24 0.27 0.99 -0.85 0.00 0.00 174.74 175.35 3mr1 s THR 235 N -1.41 5.30 0.20 1.30 2.01 -1.15 -1.68 115.64 120.22 3mr1 s THR 235 Ca 0.09 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.59 3mr1 s THR 235 Cb -0.09 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3mr1 s THR 235 CO 0.05 0.35 -0.04 0.27 -0.69 0.00 0.00 174.62 174.55 3mr1 s ILE 236 N 0.83 1.13 0.04 1.82 -4.36 0.06 -0.55 121.20 120.17 3mr1 s ILE 236 Ca 0.14 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 58.53 3mr1 s ILE 236 Cb -0.13 -2.18 -0.02 0.00 1.25 0.00 0.00 42.46 41.38 3mr1 s ILE 236 CO 0.04 -0.47 -0.17 -0.83 0.24 0.00 0.00 174.94 173.76 3mr1 s GLY 237 N -3.27 0.92 -0.22 6.27 0.00 0.15 -1.77 107.32 109.41 3mr1 s GLY 237 Ca 0.24 -0.92 -0.26 0.00 0.00 0.00 0.00 44.72 43.79 3mr1 s GLY 237 CO 0.06 -0.87 0.89 0.14 0.00 0.00 0.00 173.10 173.32 3mr1 s VAL 238 N -0.83 4.80 0.25 1.40 1.01 -0.20 -0.58 120.40 126.25 3mr1 s VAL 238 Ca 0.04 1.73 0.01 0.00 0.00 0.00 0.00 61.98 63.75 3mr1 s VAL 238 Cb -0.08 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.16 3mr1 s VAL 238 CO 0.01 -0.08 0.34 0.35 0.00 0.00 0.00 175.10 175.73 3mr1 n THR 239 N 5.14 0.00 0.17 3.92 -2.24 -0.71 -0.83 114.28 119.73 3mr1 n THR 239 Ca 0.07 -0.60 0.04 0.00 -2.27 0.00 0.00 64.05 61.30 3mr1 n THR 239 Cb 0.47 -1.10 0.47 0.00 -2.10 0.00 0.00 70.33 68.07 3mr1 n THR 239 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3mr1 h LYS 240 N 0.00 0.12 0.00 -0.78 -0.00 -1.97 -3.34 116.57 110.60 3mr1 h LYS 240 Ca -0.11 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.65 60.46 3mr1 h LYS 240 Cb 0.44 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 32.64 3mr1 h LYS 240 CO 0.13 0.25 -1.24 -0.25 -0.00 0.00 0.00 179.45 178.34 3mr1 n ASP 241 N -4.34 4.08 0.00 7.07 9.92 -1.26 -4.65 116.55 127.37 3mr1 n ASP 241 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 3mr1 n ASP 241 Cb 0.23 0.73 0.00 0.00 -0.64 0.00 0.00 41.12 41.44 3mr1 n ASP 241 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3mr1 n GLY 242 N 2.65 0.93 3.20 0.44 0.00 -1.25 -4.82 105.19 106.34 3mr1 n GLY 242 Ca -0.05 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 3mr1 n GLY 242 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mr1 s PHE 243 N 2.11 1.04 -0.07 1.61 -0.71 -1.22 -1.74 117.98 119.00 3mr1 s PHE 243 Ca 0.00 -0.96 0.02 0.00 -1.04 0.00 0.00 56.93 54.95 3mr1 s PHE 243 Cb 0.00 -0.59 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 3mr1 s PHE 243 CO 0.00 -0.17 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.61 3mr1 s GLU 244 N -3.87 1.51 -0.44 1.99 2.12 0.26 -4.80 118.70 115.47 3mr1 s GLU 244 Ca 0.17 -0.33 -0.23 0.00 0.36 0.00 0.00 54.97 54.94 3mr1 s GLU 244 Cb 0.05 -1.33 0.02 0.00 0.26 0.00 0.00 34.13 33.14 3mr1 s GLU 244 CO -0.01 -0.04 0.79 0.42 -0.54 0.00 0.00 175.26 175.89 3mr1 s ILE 245 N 0.88 4.65 0.24 -3.70 1.01 -1.26 -0.67 121.20 122.34 3mr1 s ILE 245 Ca -0.11 0.50 0.07 0.00 0.00 0.00 0.00 60.65 61.11 3mr1 s ILE 245 Cb -0.15 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.95 3mr1 s ILE 245 CO 0.01 -0.69 1.55 -0.26 0.00 0.00 0.00 174.94 175.54 3mr1 h PHE 246 N 8.93 0.16 -0.67 3.97 0.04 -1.17 -3.24 116.94 124.95 3mr1 h PHE 246 Ca -0.25 -0.07 -0.24 0.00 2.80 0.00 0.00 57.97 60.21 3mr1 h PHE 246 Cb 1.09 -0.03 -0.14 0.00 2.20 0.00 0.00 35.95 39.07 3mr1 h PHE 246 CO 0.80 0.74 0.31 0.25 -0.60 0.00 0.00 178.31 179.81 3mr1 n THR 247 N -3.79 2.58 0.96 -1.55 -2.24 -1.23 -2.93 114.28 106.08 3mr1 n THR 247 Ca -0.02 -1.39 0.08 0.00 -2.27 0.00 0.00 64.05 60.44 3mr1 n THR 247 Cb 0.65 -0.46 0.46 0.00 -2.10 0.00 0.00 70.33 68.88 3mr1 n THR 247 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39