#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mr1 n ILE 2 N 0.00 0.06 -2.20 3.17 2.08 -1.26 -4.91 119.36 116.30 3mr1 n ILE 2 Ca 0.00 -0.01 -0.41 0.00 0.56 0.00 0.00 62.75 62.89 3mr1 n ILE 2 Cb 0.00 -1.65 -0.03 0.00 -0.75 0.00 0.00 39.64 37.21 3mr1 n ILE 2 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3mr1 s LYS 3 N 1.28 4.40 -0.36 0.38 -2.85 -1.26 -5.01 119.74 116.31 3mr1 s LYS 3 Ca 0.79 2.09 -0.08 0.00 -1.00 0.00 0.00 55.97 57.78 3mr1 s LYS 3 Cb -0.65 -3.15 0.05 0.00 -2.06 0.00 0.00 37.83 32.02 3mr1 s LYS 3 CO 0.38 -0.19 0.16 0.42 0.10 0.00 0.00 175.35 176.22 3mr1 s ILE 4 N -0.42 3.97 0.27 3.79 -1.09 -1.26 -4.38 121.20 122.08 3mr1 s ILE 4 Ca 0.53 -1.18 -0.09 0.00 -2.23 0.00 0.00 60.65 57.67 3mr1 s ILE 4 Cb -0.37 -3.30 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 3mr1 s ILE 4 CO 0.43 -0.28 0.59 -1.00 -1.23 0.00 0.00 174.94 173.46 3mr1 s HIS 5 N 1.42 3.43 0.52 3.97 3.76 -0.35 -5.01 115.29 123.03 3mr1 s HIS 5 Ca 0.00 0.88 0.06 0.00 -0.15 0.00 0.00 55.06 55.85 3mr1 s HIS 5 Cb -0.20 -2.28 0.05 0.00 1.11 0.00 0.00 32.58 31.26 3mr1 s HIS 5 CO 0.03 0.19 0.72 0.95 -0.85 0.00 0.00 174.74 175.78 3mr1 s THR 6 N -1.94 2.61 0.27 1.30 -4.23 -1.26 -4.52 115.64 107.88 3mr1 s THR 6 Ca 0.48 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 3mr1 s THR 6 Cb -0.11 -2.74 0.26 0.00 1.34 0.00 0.00 72.50 71.25 3mr1 s THR 6 CO 0.23 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.00 3mr1 h GLU 7 N 0.26 0.64 -0.78 3.99 4.57 -1.99 -0.34 114.58 120.93 3mr1 h GLU 7 Ca -0.37 -0.04 0.15 0.00 -1.18 0.00 0.00 59.36 57.92 3mr1 h GLU 7 Cb 1.28 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 3mr1 h GLU 7 CO 0.45 0.42 0.52 1.57 -1.18 0.00 0.00 179.01 180.79 3mr1 h LYS 8 N 0.66 0.44 0.00 1.92 2.10 -2.01 -0.67 116.57 119.02 3mr1 h LYS 8 Ca 0.50 -0.03 -0.20 0.00 -2.00 0.00 0.00 60.65 58.92 3mr1 h LYS 8 Cb 0.72 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 3mr1 h LYS 8 CO -0.37 0.29 -0.89 -0.44 -2.00 0.00 0.00 179.45 176.04 3mr1 h ASP 9 N 0.45 0.29 -0.79 7.07 3.32 -1.45 -3.14 116.42 122.18 3mr1 h ASP 9 Ca 0.38 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3mr1 h ASP 9 Cb 0.84 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.26 3mr1 h ASP 9 CO -0.13 1.05 0.40 -0.26 -1.72 0.00 0.00 179.24 178.57 3mr1 h PHE 10 N 0.12 1.11 -0.75 4.55 -1.00 -0.81 -1.20 116.94 118.97 3mr1 h PHE 10 Ca -0.05 -0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.72 3mr1 h PHE 10 Cb 1.52 -0.35 -0.05 0.00 3.61 0.00 0.00 35.95 40.69 3mr1 h PHE 10 CO 0.03 0.80 0.47 0.82 -1.61 0.00 0.00 178.31 178.82 3mr1 h ILE 11 N 1.10 1.09 -0.21 -0.55 2.04 -1.33 -0.43 117.51 119.23 3mr1 h ILE 11 Ca 0.27 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 3mr1 h ILE 11 Cb 0.08 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3mr1 h ILE 11 CO -0.04 0.17 -0.51 0.11 0.00 0.00 0.00 178.15 177.88 3mr1 h LYS 12 N 0.91 0.59 -0.12 2.37 1.79 -1.42 -2.58 116.57 118.11 3mr1 h LYS 12 Ca 0.30 -0.35 -0.14 0.00 -2.18 0.00 0.00 60.65 58.28 3mr1 h LYS 12 Cb 0.04 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3mr1 h LYS 12 CO -0.12 0.96 -0.54 0.52 -1.08 0.00 0.00 179.45 179.19 3mr1 h MET 13 N 0.46 0.35 -0.10 3.15 2.86 -0.95 -1.63 114.93 119.07 3mr1 h MET 13 Ca 0.02 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3mr1 h MET 13 Cb 1.05 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 3mr1 h MET 13 CO 0.10 0.80 0.07 0.00 1.06 0.00 0.00 176.91 178.93 3mr1 h ARG 14 N 0.27 0.13 -0.56 1.72 3.08 -0.95 0.16 114.38 118.23 3mr1 h ARG 14 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3mr1 h ARG 14 Cb 1.03 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 3mr1 h ARG 14 CO 0.09 0.09 0.28 0.00 -1.07 0.00 0.00 179.97 179.35 3mr1 h ALA 15 N 1.04 0.73 -0.30 0.04 0.00 -1.37 -0.15 119.26 119.24 3mr1 h ALA 15 Ca 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3mr1 h ALA 15 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3mr1 h ALA 15 CO -0.01 0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.54 3mr1 h ALA 16 N 1.11 0.40 -0.80 0.00 0.00 -1.16 -2.71 119.26 116.10 3mr1 h ALA 16 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mr1 h ALA 16 Cb 0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3mr1 h ALA 16 CO -0.03 0.14 0.50 0.78 0.00 0.00 0.00 179.25 180.64 3mr1 h GLY 17 N 0.32 1.14 0.99 0.00 0.00 -0.58 -2.01 103.07 102.93 3mr1 h GLY 17 Ca 0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3mr1 h GLY 17 CO 0.01 0.45 0.30 1.70 0.00 0.00 0.00 176.54 179.00 3mr1 h LYS 18 N 1.09 0.78 -0.52 4.80 3.64 -0.90 -0.19 116.57 125.26 3mr1 h LYS 18 Ca 0.29 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3mr1 h LYS 18 Cb -0.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3mr1 h LYS 18 CO -0.06 0.60 0.13 1.25 -2.27 0.00 0.00 179.45 179.11 3mr1 h LEU 19 N 0.75 0.78 -0.39 5.20 5.85 -1.22 0.77 115.31 127.04 3mr1 h LEU 19 Ca 0.19 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3mr1 h LEU 19 Cb 0.06 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3mr1 h LEU 19 CO -0.03 0.81 0.22 0.00 -0.34 0.00 0.00 178.44 179.09 3mr1 h ALA 20 N 1.00 0.49 -0.83 1.25 0.00 -1.23 -1.41 119.26 118.54 3mr1 h ALA 20 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3mr1 h ALA 20 Cb 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3mr1 h ALA 20 CO 0.00 -0.13 0.45 0.00 0.00 0.00 0.00 179.25 179.57 3mr1 h ALA 21 N 1.18 1.06 -0.10 0.00 0.00 -0.71 -2.53 119.26 118.16 3mr1 h ALA 21 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3mr1 h ALA 21 Cb 0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3mr1 h ALA 21 CO -0.09 0.57 -0.15 0.93 0.00 0.00 0.00 179.25 180.51 3mr1 h GLU 22 N 1.15 0.16 -0.52 0.00 5.08 -0.58 -0.76 114.58 119.11 3mr1 h GLU 22 Ca 0.29 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3mr1 h GLU 22 Cb 0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3mr1 h GLU 22 CO -0.05 0.31 0.25 1.15 -1.00 0.00 0.00 179.01 179.67 3mr1 h THR 23 N 0.15 1.20 -0.66 1.13 2.02 -0.84 0.91 112.91 116.81 3mr1 h THR 23 Ca 0.03 -0.56 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 3mr1 h THR 23 Cb 0.36 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3mr1 h THR 23 CO 0.02 0.22 0.14 -0.07 0.37 0.00 0.00 175.52 176.21 3mr1 h LEU 24 N 0.69 1.01 0.17 2.58 3.38 -1.14 -1.63 115.31 120.38 3mr1 h LEU 24 Ca 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3mr1 h LEU 24 Cb 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3mr1 h LEU 24 CO -0.02 0.99 -0.13 0.44 0.09 0.00 0.00 178.44 179.81 3mr1 h ASP 25 N 0.99 -0.34 -0.87 -0.43 3.32 -0.98 -3.12 116.42 114.99 3mr1 h ASP 25 Ca 0.20 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.40 3mr1 h ASP 25 Cb 0.39 0.11 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 3mr1 h ASP 25 CO 0.01 -0.21 0.49 0.15 -1.72 0.00 0.00 179.24 177.96 3mr1 h PHE 26 N -0.31 0.89 0.00 4.55 3.57 -0.57 -2.80 116.94 122.27 3mr1 h PHE 26 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3mr1 h PHE 26 Cb 0.28 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3mr1 h PHE 26 CO -0.11 0.31 -0.01 0.97 -2.23 0.00 0.00 178.31 177.25 3mr1 h ILE 27 N 0.77 0.01 -0.50 1.41 6.09 -1.24 -3.37 117.51 120.69 3mr1 h ILE 27 Ca 0.44 -0.80 0.10 0.00 -1.37 0.00 0.00 64.86 63.23 3mr1 h ILE 27 Cb 0.49 1.79 -0.10 0.00 0.47 0.00 0.00 36.82 39.47 3mr1 h ILE 27 CO -0.29 0.01 -0.24 0.74 -3.07 0.00 0.00 178.15 175.30 3mr1 h THR 28 N 0.00 0.32 0.00 2.19 2.02 -1.49 -0.99 112.91 114.96 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 0.79 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3mr1 h THR 28 CO 0.00 0.00 0.00 0.44 0.37 0.00 0.00 175.52 176.33 3mr1 h ASP 29 N -0.12 0.00 0.95 4.18 3.32 -1.80 -2.42 116.42 120.52 3mr1 h ASP 29 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3mr1 h ASP 29 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3mr1 h ASP 29 CO -0.57 0.00 -0.24 1.41 -1.72 0.00 0.00 179.24 178.11 3mr1 n HIS 30 N -2.40 0.30 -2.61 4.55 8.25 -0.38 -4.75 115.22 118.17 3mr1 n HIS 30 Ca 0.02 0.09 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3mr1 n HIS 30 Cb 0.27 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 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 4.08 0.20 1.59 1.01 -0.91 -4.93 120.40 118.38 3mr1 s VAL 31 Ca 0.11 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 3mr1 s VAL 31 Cb 0.16 -4.69 0.03 0.00 0.00 0.00 0.00 36.38 31.87 3mr1 s VAL 31 CO 0.62 -1.28 0.53 -1.59 0.00 0.00 0.00 175.10 173.39 3mr1 s LYS 32 N 4.80 1.42 0.56 2.72 -2.85 -1.26 -4.68 119.74 120.44 3mr1 s LYS 32 Ca 0.42 -0.89 -0.20 0.00 -1.00 0.00 0.00 55.97 54.30 3mr1 s LYS 32 Cb -0.08 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 3mr1 s LYS 32 CO 0.26 -0.60 1.13 -2.30 0.10 0.00 0.00 175.35 173.93 3mr1 n PRO 33 N -0.35 1.25 -0.86 1.78 -0.02 -1.26 -2.67 135.00 132.88 3mr1 n PRO 33 Ca -0.09 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3mr1 n PRO 33 Cb 0.62 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.74 -2.21 -4.81 2.55 5.03 0.28 -4.95 115.26 110.41 3mr1 n ASN 34 Ca 0.12 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.18 3mr1 n ASN 34 Cb 0.45 -1.73 -0.06 0.00 -1.02 0.00 0.00 39.78 37.43 3mr1 n ASN 34 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3mr1 s VAL 35 N -1.93 4.68 0.32 2.41 1.01 -1.09 -4.75 120.40 121.05 3mr1 s VAL 35 Ca 0.00 1.29 -0.06 0.00 0.00 0.00 0.00 61.98 63.21 3mr1 s VAL 35 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3mr1 s VAL 35 CO 0.00 0.54 0.62 0.42 0.00 0.00 0.00 175.10 176.68 3mr1 s THR 36 N -1.13 4.96 0.40 3.92 -4.23 -1.26 -1.38 115.64 116.92 3mr1 s THR 36 Ca 0.30 0.20 0.12 0.00 -1.18 0.00 0.00 61.69 61.13 3mr1 s THR 36 Cb -0.20 -3.74 0.14 0.00 1.34 0.00 0.00 72.50 70.05 3mr1 s THR 36 CO 0.20 -0.39 1.91 0.71 -0.54 0.00 0.00 174.62 176.51 3mr1 h THR 37 N 1.25 1.19 -0.93 3.99 1.35 -1.69 -2.49 112.91 115.58 3mr1 h THR 37 Ca -0.48 -0.89 0.13 0.00 -0.55 0.00 0.00 66.41 64.63 3mr1 h THR 37 Cb 1.19 1.40 -0.09 0.00 -1.73 0.00 0.00 68.15 68.92 3mr1 h THR 37 CO 0.65 0.26 0.55 0.78 -0.25 0.00 0.00 175.52 177.52 3mr1 h ASN 38 N 0.09 0.77 -0.55 5.36 2.35 -1.44 0.16 115.58 122.33 3mr1 h ASN 38 Ca 0.02 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3mr1 h ASN 38 Cb 0.45 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3mr1 h ASN 38 CO 0.03 0.38 -0.04 0.77 -1.65 0.00 0.00 177.43 176.93 3mr1 h SER 39 N 0.84 0.98 -0.57 5.81 4.64 -1.73 -1.98 113.55 121.55 3mr1 h SER 39 Ca 0.48 -0.32 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3mr1 h SER 39 Cb 0.56 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3mr1 h SER 39 CO -0.30 1.07 0.04 -0.07 -0.87 0.00 0.00 176.83 176.70 3mr1 h LEU 40 N 0.87 0.94 -0.19 5.97 3.38 -1.33 -1.47 115.31 123.50 3mr1 h LEU 40 Ca 0.15 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3mr1 h LEU 40 Cb 0.59 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3mr1 h LEU 40 CO 0.04 1.00 -0.05 -1.13 0.09 0.00 0.00 178.44 178.38 3mr1 h ASN 41 N 0.86 -0.18 -0.59 -0.43 -1.24 -0.85 -1.27 115.58 111.88 3mr1 h ASN 41 Ca 0.17 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.24 3mr1 h ASN 41 Cb 0.48 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 3mr1 h ASN 41 CO 0.02 -0.07 0.38 0.44 -1.29 0.00 0.00 177.43 176.92 3mr1 h ASP 42 N -0.00 0.69 -0.48 1.15 3.32 -1.16 0.57 116.42 120.51 3mr1 h ASP 42 Ca 0.09 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.15 3mr1 h ASP 42 Cb 0.14 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3mr1 h ASP 42 CO -0.20 0.52 0.25 -0.07 -1.72 0.00 0.00 179.24 178.02 3mr1 h LEU 43 N 0.80 0.37 -0.31 1.55 3.38 -1.14 -2.15 115.31 117.81 3mr1 h LEU 43 Ca 0.22 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3mr1 h LEU 43 Cb -0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3mr1 h LEU 43 CO -0.04 0.26 -0.16 0.00 0.09 0.00 0.00 178.44 178.58 3mr1 h HIS 45 N 0.42 0.02 -0.15 0.00 -0.00 -0.80 -0.56 115.15 114.07 3mr1 h HIS 45 Ca 0.07 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.35 3mr1 h HIS 45 Cb 0.69 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.11 3mr1 h HIS 45 CO 0.06 -0.02 -0.37 -0.91 -0.00 0.00 0.00 177.93 176.69 3mr1 h ASN 46 N 0.10 0.34 0.21 3.26 2.35 -1.40 -1.59 115.58 118.84 3mr1 h ASN 46 Ca 0.11 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3mr1 h ASN 46 Cb 0.14 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3mr1 h ASN 46 CO -0.18 0.69 -0.16 0.15 -1.65 0.00 0.00 177.43 176.28 3mr1 h PHE 47 N 0.28 -0.40 -0.08 1.19 3.57 -0.95 -0.55 116.94 120.00 3mr1 h PHE 47 Ca 0.03 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3mr1 h PHE 47 Cb 0.78 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3mr1 h PHE 47 CO 0.02 -0.24 0.00 0.82 -2.23 0.00 0.00 178.31 176.68 3mr1 h ILE 48 N -0.37 0.95 -0.07 1.41 2.04 -0.92 -2.88 117.51 117.67 3mr1 h ILE 48 Ca -0.01 -0.01 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 3mr1 h ILE 48 Cb 0.33 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3mr1 h ILE 48 CO -0.00 0.01 -0.56 0.71 0.00 0.00 0.00 178.15 178.30 3mr1 h THR 49 N 0.03 1.37 0.00 -0.27 1.35 -1.29 -2.09 112.91 112.02 3mr1 h THR 49 Ca 0.04 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 3mr1 h THR 49 Cb 0.04 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3mr1 h THR 49 CO -0.06 0.56 0.00 -1.54 -0.25 0.00 0.00 175.52 174.23 3mr1 n SER 50 N -3.90 0.00 -1.92 5.36 3.41 -0.22 -1.40 113.62 114.96 3mr1 n SER 50 Ca -0.02 0.49 0.06 0.00 -0.26 0.00 0.00 58.87 59.14 3mr1 n SER 50 Cb 0.58 -0.49 0.40 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.49 2.14 -3.51 7.33 -0.00 -0.82 -4.95 115.22 113.91 3mr1 n HIS 51 Ca 0.03 -0.77 -0.25 0.00 -0.00 0.00 0.00 57.72 56.73 3mr1 n HIS 51 Cb 0.16 -0.53 0.04 0.00 -0.00 0.00 0.00 29.99 29.66 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 0.57 -5.59 -4.54 0.41 5.15 -0.49 -5.01 115.26 105.76 3mr1 n ASN 52 Ca 0.29 -0.52 -0.26 0.00 -0.60 0.00 0.00 54.58 53.49 3mr1 n ASN 52 Cb 1.22 -4.46 -0.10 0.00 -0.53 0.00 0.00 39.78 35.91 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 -3.23 2.92 -0.05 5.20 0.00 -0.98 -4.69 121.76 120.93 3mr1 s ALA 53 Ca 0.52 -1.99 0.05 0.00 0.00 0.00 0.00 51.96 50.54 3mr1 s ALA 53 Cb -0.24 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3mr1 s ALA 53 CO 0.64 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 176.43 3mr1 s ILE 54 N -2.98 2.66 -0.46 0.00 1.01 -0.54 -3.74 121.20 117.14 3mr1 s ILE 54 Ca 0.32 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 3mr1 s ILE 54 Cb 0.08 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3mr1 s ILE 54 CO 0.16 0.58 1.23 -2.16 0.00 0.00 0.00 174.94 174.75 3mr1 s PRO 55 N -0.55 3.66 0.39 2.79 0.04 -1.26 -0.44 135.00 139.62 3mr1 s PRO 55 Ca 0.08 0.67 0.07 0.00 0.04 0.00 0.00 61.00 61.86 3mr1 s PRO 55 Cb -0.11 -3.95 0.81 0.00 0.04 0.00 0.00 34.50 31.28 3mr1 s PRO 55 CO 0.01 -1.47 2.01 0.00 0.04 0.00 0.00 177.00 177.59 3mr1 h ALA 56 N 9.76 1.72 0.00 8.56 0.00 -1.46 -2.49 119.26 135.35 3mr1 h ALA 56 Ca -0.25 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3mr1 h ALA 56 Cb 1.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3mr1 h ALA 56 CO 1.12 0.21 -0.14 -1.35 0.00 0.00 0.00 179.25 179.09 3mr1 h PRO 57 N 0.65 0.00 -6.05 0.00 0.11 -1.76 -3.38 132.00 121.57 3mr1 h PRO 57 Ca 0.24 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.75 3mr1 h PRO 57 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3mr1 h PRO 57 CO -0.06 0.14 1.42 -0.11 -0.21 0.00 0.00 178.00 179.18 3mr1 n LEU 58 N -3.45 3.24 -0.93 2.35 7.94 -0.94 -1.08 117.00 124.12 3mr1 n LEU 58 Ca -0.01 0.38 -0.12 0.00 -1.11 0.00 0.00 56.01 55.15 3mr1 n LEU 58 Cb 0.31 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.71 3mr1 n LEU 58 CO 0.30 -0.53 -0.12 -3.20 -1.11 0.00 0.00 177.39 172.73 3mr1 n ASN 59 N 10.54 -5.04 -4.63 1.96 5.15 0.74 -4.97 115.26 119.02 3mr1 n ASN 59 Ca 0.30 0.30 -0.43 0.00 -0.60 0.00 0.00 54.58 54.15 3mr1 n ASN 59 Cb 0.40 -3.61 -0.02 0.00 -0.53 0.00 0.00 39.78 36.02 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 -2.26 2.31 -1.32 1.20 5.04 -0.24 -2.52 117.35 119.56 3mr1 s TYR 60 Ca 0.00 0.65 -0.13 0.00 -2.44 0.00 0.00 57.07 55.15 3mr1 s TYR 60 Cb 0.00 -3.93 0.11 0.00 0.35 0.00 0.00 41.96 38.49 3mr1 s TYR 60 CO 0.00 -2.55 0.51 1.63 -1.34 0.00 0.00 175.55 173.80 3mr1 n LYS 61 N 7.47 -2.82 -0.08 4.97 5.02 -1.26 -0.91 118.16 130.54 3mr1 n LYS 61 Ca 0.17 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3mr1 n LYS 61 Cb 0.45 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 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 -1.11 1.78 3.66 0.72 0.00 -1.05 -5.03 105.19 104.16 3mr1 n GLY 62 Ca 0.03 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.49 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 1.76 1.23 1.61 -0.00 -0.09 -4.74 117.46 115.24 3mr1 n PHE 63 Ca 0.00 0.63 0.09 0.00 -0.00 0.00 0.00 57.45 58.17 3mr1 n PHE 63 Cb 0.00 -2.38 0.34 0.00 -0.00 0.00 0.00 39.48 37.44 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 4.00 1.67 -4.31 -7.13 -0.04 -1.26 -0.19 135.00 127.75 3mr1 n PRO 64 Ca 0.23 -1.02 -0.18 0.00 -0.04 0.00 0.00 63.50 62.49 3mr1 n PRO 64 Cb 0.14 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.76 1.58 0.03 0.54 -0.14 -1.26 -4.88 119.74 113.85 3mr1 s LYS 65 Ca 0.30 -1.90 0.22 0.00 -1.36 0.00 0.00 55.97 53.23 3mr1 s LYS 65 Cb 0.16 0.03 -0.12 0.00 -1.68 0.00 0.00 37.83 36.21 3mr1 s LYS 65 CO 0.23 -0.48 0.85 0.43 -0.76 0.00 0.00 175.35 175.62 3mr1 n SER 66 N -0.96 0.53 -4.17 2.83 7.64 -1.26 -2.70 113.62 115.53 3mr1 n SER 66 Ca 0.02 -0.27 -0.11 0.00 1.01 0.00 0.00 58.87 59.53 3mr1 n SER 66 Cb 0.65 1.16 -0.10 0.00 -1.01 0.00 0.00 64.21 64.90 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 -3.26 0.35 -0.04 0.44 -4.36 -1.26 -4.37 121.20 108.69 3mr1 s ILE 67 Ca 0.01 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.46 3mr1 s ILE 67 Cb 0.14 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.86 3mr1 s ILE 67 CO 0.85 -0.58 0.06 0.00 0.24 0.00 0.00 174.94 175.51 3mr1 s THR 69 N -1.08 0.51 -0.25 0.00 -4.23 -0.69 -1.89 115.64 108.02 3mr1 s THR 69 Ca 0.19 -0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3mr1 s THR 69 Cb -0.12 -0.81 0.04 0.00 1.34 0.00 0.00 72.50 72.95 3mr1 s THR 69 CO 0.09 0.06 -0.09 -0.44 -0.54 0.00 0.00 174.62 173.69 3mr1 s SER 70 N 1.89 4.27 -0.20 3.99 0.01 -0.49 -3.85 113.70 119.32 3mr1 s SER 70 Ca 0.02 -1.13 -0.09 0.00 1.31 0.00 0.00 55.95 56.07 3mr1 s SER 70 Cb -0.14 -1.59 -0.05 0.00 0.21 0.00 0.00 66.02 64.45 3mr1 s SER 70 CO -0.07 -0.16 0.10 -0.63 0.41 0.00 0.00 173.24 172.90 3mr1 s ILE 71 N 1.21 5.09 0.00 1.44 1.01 -1.26 -0.47 121.20 128.22 3mr1 s ILE 71 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3mr1 s ILE 71 Cb -0.18 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3mr1 s ILE 71 CO -0.06 0.44 0.00 0.59 0.00 0.00 0.00 174.94 175.91 3mr1 n ASN 72 N 3.64 0.00 0.00 3.58 3.02 -0.15 -1.42 115.26 123.93 3mr1 n ASN 72 Ca -0.16 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.48 3mr1 n ASN 72 Cb 0.52 0.00 0.50 0.00 -0.61 0.00 0.00 39.78 40.19 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 3.34 0.00 -2.36 3.10 1.44 -1.26 -2.29 115.22 117.19 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 -0.26 -0.03 0.00 0.12 0.00 0.00 29.99 29.82 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 -2.52 4.06 -0.08 0.61 1.01 -0.51 -1.49 120.40 121.48 3mr1 s VAL 74 Ca 0.19 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 3mr1 s VAL 74 Cb 0.13 -3.89 -0.29 0.00 0.00 0.00 0.00 36.38 32.33 3mr1 s VAL 74 CO 0.29 -0.03 0.76 0.58 0.00 0.00 0.00 175.10 176.70 3mr1 h VAL 75 N 5.11 1.39 -2.27 2.92 2.07 0.06 -3.40 116.25 122.13 3mr1 h VAL 75 Ca -0.34 -2.46 0.15 0.00 0.82 0.00 0.00 66.70 64.87 3mr1 h VAL 75 Cb 1.16 3.05 -0.12 0.00 -1.52 0.00 0.00 31.29 33.86 3mr1 h VAL 75 CO 0.91 0.68 0.50 0.00 0.02 0.00 0.00 177.57 179.69 3mr1 n HIS 77 N -0.35 -0.70 -1.87 0.00 8.25 -1.26 -2.34 115.22 116.93 3mr1 n HIS 77 Ca -0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.01 3mr1 n HIS 77 Cb 0.61 -3.54 0.04 0.00 1.12 0.00 0.00 29.99 28.22 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 -2.29 2.85 -0.23 -1.41 0.00 -1.25 -3.90 107.32 101.09 3mr1 s GLY 78 Ca 0.00 1.22 -0.08 0.00 0.00 0.00 0.00 44.72 45.86 3mr1 s GLY 78 CO 0.00 1.70 0.09 -0.42 0.00 0.00 0.00 173.10 174.47 3mr1 s ILE 79 N -1.38 4.65 0.40 0.90 1.01 -1.26 -1.70 121.20 123.82 3mr1 s ILE 79 Ca 0.73 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 61.07 3mr1 s ILE 79 Cb -0.37 -3.15 -0.12 0.00 0.01 0.00 0.00 42.46 38.83 3mr1 s ILE 79 CO 0.43 0.37 0.86 -2.65 0.00 0.00 0.00 174.94 173.95 3mr1 n PRO 80 N 4.43 1.07 -1.40 2.79 -0.02 -1.26 -4.89 135.00 135.72 3mr1 n PRO 80 Ca -0.16 0.38 -0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3mr1 n PRO 80 Cb 0.52 -1.83 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.86 -0.01 -0.58 2.55 0.23 -1.26 -4.71 115.26 112.35 3mr1 n ASN 81 Ca 0.10 -1.01 0.11 0.00 -0.53 0.00 0.00 54.58 53.26 3mr1 n ASN 81 Cb 0.38 0.01 0.38 0.00 -2.08 0.00 0.00 39.78 38.47 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 -1.77 1.74 -4.72 0.53 5.68 -1.26 -1.21 116.55 115.54 3mr1 n ASP 82 Ca -0.00 -1.70 -0.42 0.00 -0.50 0.00 0.00 54.79 52.17 3mr1 n ASP 82 Cb 0.00 -0.10 -0.03 0.00 -1.14 0.00 0.00 41.12 39.85 3mr1 n ASP 82 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3mr1 s LYS 83 N -1.80 4.45 0.23 0.11 1.02 -1.26 -4.90 119.74 117.59 3mr1 s LYS 83 Ca 0.33 1.80 -0.30 0.00 0.02 0.00 0.00 55.97 57.83 3mr1 s LYS 83 Cb 0.18 -3.32 -0.09 0.00 -0.52 0.00 0.00 37.83 34.09 3mr1 s LYS 83 CO 0.27 -0.21 1.18 -2.14 -0.92 0.00 0.00 175.35 173.53 3mr1 s PRO 84 N 0.71 4.53 0.59 -1.68 0.02 -1.26 -4.02 135.00 133.89 3mr1 s PRO 84 Ca 0.57 1.89 -0.19 0.00 0.02 0.00 0.00 61.00 63.29 3mr1 s PRO 84 Cb -0.30 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3mr1 s PRO 84 CO 0.31 -0.00 1.20 -0.51 -0.33 0.00 0.00 177.00 177.67 3mr1 s LEU 85 N -0.77 3.66 0.10 -5.54 1.43 -0.48 -4.83 118.68 112.25 3mr1 s LEU 85 Ca 0.50 2.37 0.10 0.00 -1.03 0.00 0.00 54.13 56.06 3mr1 s LEU 85 Cb -0.33 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.26 3mr1 s LEU 85 CO 0.40 -1.59 -0.23 -0.54 0.23 0.00 0.00 176.35 174.62 3mr1 s LYS 86 N -3.35 1.67 -0.15 1.70 1.02 -1.26 -0.56 119.74 118.80 3mr1 s LYS 86 Ca 0.77 -1.21 -0.40 0.00 0.02 0.00 0.00 55.97 55.15 3mr1 s LYS 86 Cb -0.30 -2.01 -0.17 0.00 -0.52 0.00 0.00 37.83 34.83 3mr1 s LYS 86 CO 0.33 0.48 1.48 -1.71 -0.92 0.00 0.00 175.35 175.01 3mr1 n ASN 87 N 1.13 1.56 0.00 2.83 5.15 -1.26 -1.56 115.26 123.10 3mr1 n ASN 87 Ca -0.17 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 3mr1 n ASN 87 Cb 0.53 -1.08 0.00 0.00 -0.53 0.00 0.00 39.78 38.70 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 3.19 1.65 3.76 8.20 0.00 0.66 -4.92 105.19 117.73 3mr1 n GLY 88 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.58 4.84 0.08 1.61 1.01 -0.60 -4.68 116.67 117.34 3mr1 s ASP 89 Ca 0.00 2.00 0.09 0.00 0.71 0.00 0.00 52.55 55.34 3mr1 s ASP 89 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 3mr1 s ASP 89 CO 0.00 -1.81 -0.21 0.27 0.21 0.00 0.00 175.17 173.63 3mr1 s ILE 90 N -2.44 2.60 -0.02 0.77 -4.36 -1.26 -1.61 121.20 114.87 3mr1 s ILE 90 Ca 0.66 -1.40 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 3mr1 s ILE 90 Cb -0.21 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.41 3mr1 s ILE 90 CO 0.45 0.24 0.05 0.54 0.24 0.00 0.00 174.94 176.46 3mr1 s VAL 91 N -0.98 -0.03 -0.17 8.37 0.11 -0.80 -0.98 120.40 125.92 3mr1 s VAL 91 Ca 0.15 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 3mr1 s VAL 91 Cb -0.10 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 3mr1 s VAL 91 CO 0.06 0.05 0.36 0.21 -3.33 0.00 0.00 175.10 172.45 3mr1 s ASN 92 N 0.60 6.47 -0.23 3.54 3.84 0.38 -0.25 114.94 129.28 3mr1 s ASN 92 Ca -0.05 0.55 -0.06 0.00 0.21 0.00 0.00 52.86 53.51 3mr1 s ASN 92 Cb -0.07 -2.22 -0.03 0.00 -0.55 0.00 0.00 41.25 38.39 3mr1 s ASN 92 CO -0.02 0.01 0.04 -0.63 -2.79 0.00 0.00 177.10 173.71 3mr1 s ILE 93 N 0.84 4.12 -0.17 -5.21 1.01 -0.66 -1.40 121.20 119.72 3mr1 s ILE 93 Ca 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 3mr1 s ILE 93 Cb -0.14 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3mr1 s ILE 93 CO 0.07 0.37 -0.15 -0.62 0.00 0.00 0.00 174.94 174.61 3mr1 s ASP 94 N 1.42 3.63 -0.03 3.58 2.15 -0.79 -2.39 116.67 124.25 3mr1 s ASP 94 Ca 0.05 -0.51 0.07 0.00 0.43 0.00 0.00 52.55 52.60 3mr1 s ASP 94 Cb -0.15 -1.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.88 3mr1 s ASP 94 CO 0.02 0.04 -0.25 -0.69 -0.17 0.00 0.00 175.17 174.12 3mr1 s VAL 95 N 1.08 1.97 -0.07 1.11 1.01 0.10 -2.69 120.40 122.92 3mr1 s VAL 95 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3mr1 s VAL 95 Cb -0.14 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.62 3mr1 s VAL 95 CO -0.04 0.56 -0.04 -0.89 0.00 0.00 0.00 175.10 174.68 3mr1 s THR 96 N -0.49 0.61 0.13 3.92 2.01 -1.26 -1.42 115.64 119.14 3mr1 s THR 96 Ca 0.07 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.03 3mr1 s THR 96 Cb -0.10 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 3mr1 s THR 96 CO -0.00 0.27 0.04 0.68 -0.69 0.00 0.00 174.62 174.93 3mr1 s VAL 97 N 1.39 4.12 -0.27 3.82 -7.23 -0.12 -1.26 120.40 120.85 3mr1 s VAL 97 Ca -0.03 -1.10 -0.00 0.00 -1.81 0.00 0.00 61.98 59.03 3mr1 s VAL 97 Cb -0.13 -3.03 0.04 0.00 0.56 0.00 0.00 36.38 33.82 3mr1 s VAL 97 CO -0.03 -0.00 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.07 3mr1 s ILE 98 N -1.54 2.69 -0.20 -0.62 1.01 0.41 -1.12 121.20 121.83 3mr1 s ILE 98 Ca 0.28 -1.30 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3mr1 s ILE 98 Cb -0.11 -2.47 0.04 0.00 0.01 0.00 0.00 42.46 39.93 3mr1 s ILE 98 CO 0.20 0.05 -0.14 -0.22 0.00 0.00 0.00 174.94 174.83 3mr1 s LEU 99 N 1.24 2.40 -1.25 2.97 2.96 0.17 -1.46 118.68 125.71 3mr1 s LEU 99 Ca -0.04 -0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 3mr1 s LEU 99 Cb -0.18 -1.38 0.06 0.00 0.50 0.00 0.00 46.19 45.19 3mr1 s LEU 99 CO -0.04 -0.09 0.43 -0.67 -1.32 0.00 0.00 176.35 174.66 3mr1 n ASP 100 N 4.62 -3.74 0.00 3.68 2.03 -1.26 -1.79 116.55 120.08 3mr1 n ASP 100 Ca -0.17 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.82 3mr1 n ASP 100 Cb 0.47 -3.10 0.00 0.00 -0.72 0.00 0.00 41.12 37.77 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 -1.13 0.72 3.55 0.27 0.00 -1.26 -5.05 105.19 102.30 3mr1 n GLY 101 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.53 2.84 -0.18 1.61 0.52 -0.74 -4.39 118.94 116.07 3mr1 s TRP 102 Ca 0.00 -0.06 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 3mr1 s TRP 102 Cb 0.00 -1.64 -0.05 0.00 -1.15 0.00 0.00 33.47 30.63 3mr1 s TRP 102 CO 0.00 0.30 0.10 0.71 0.02 0.00 0.00 176.95 178.09 3mr1 s TYR 103 N -0.86 3.36 -0.13 -1.98 1.51 0.09 -0.65 117.35 118.68 3mr1 s TYR 103 Ca 0.14 0.25 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 3mr1 s TYR 103 Cb -0.11 -2.11 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3mr1 s TYR 103 CO 0.03 0.28 -0.20 0.20 -1.11 0.00 0.00 175.55 174.75 3mr1 s GLY 104 N 0.23 1.28 -0.10 0.71 0.00 -0.27 -4.67 107.32 104.50 3mr1 s GLY 104 Ca 0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.77 3mr1 s GLY 104 CO -0.01 0.04 -0.04 -0.35 0.00 0.00 0.00 173.10 172.75 3mr1 s ASP 105 N 0.87 1.93 -0.06 1.64 -1.08 -1.26 -0.94 116.67 117.76 3mr1 s ASP 105 Ca -0.07 -0.21 -0.28 0.00 -0.52 0.00 0.00 52.55 51.47 3mr1 s ASP 105 Cb -0.15 -0.66 0.06 0.00 -1.46 0.00 0.00 42.92 40.71 3mr1 s ASP 105 CO -0.02 -0.15 0.62 0.28 0.52 0.00 0.00 175.17 176.42 3mr1 s THR 106 N 1.83 0.01 0.04 1.71 -1.32 -0.51 -2.75 115.64 114.65 3mr1 s THR 106 Ca 0.05 -0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.40 3mr1 s THR 106 Cb -0.12 -0.93 -0.01 0.00 -1.51 0.00 0.00 72.50 69.92 3mr1 s THR 106 CO -0.07 -0.04 0.11 -0.94 -2.21 0.00 0.00 174.62 171.47 3mr1 s SER 107 N -1.06 0.17 0.02 8.08 1.04 -0.98 -0.72 113.70 120.25 3mr1 s SER 107 Ca -0.10 -0.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 3mr1 s SER 107 Cb -0.01 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.35 3mr1 s SER 107 CO 0.08 -0.53 0.15 -0.60 0.98 0.00 0.00 173.24 173.32 3mr1 s ARG 108 N -2.74 0.57 0.34 4.02 3.52 -1.01 -1.99 118.95 121.68 3mr1 s ARG 108 Ca -0.04 -0.55 -0.19 0.00 -0.13 0.00 0.00 55.73 54.82 3mr1 s ARG 108 Cb -0.00 0.24 -0.10 0.00 -1.56 0.00 0.00 34.95 33.53 3mr1 s ARG 108 CO -0.05 -0.15 0.83 -1.64 -0.81 0.00 0.00 175.30 173.48 3mr1 s MET 109 N -2.03 4.18 -0.00 5.12 -1.94 -1.25 -1.65 119.30 121.72 3mr1 s MET 109 Ca -0.10 0.92 0.03 0.00 -1.71 0.00 0.00 55.69 54.83 3mr1 s MET 109 Cb -0.04 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.33 3mr1 s MET 109 CO -0.01 0.15 -0.09 0.71 -0.01 0.00 0.00 175.02 175.76 3mr1 s TYR 110 N -1.93 0.82 0.10 -0.03 2.02 0.65 -4.96 117.35 114.01 3mr1 s TYR 110 Ca 0.54 -0.17 -0.25 0.00 -0.37 0.00 0.00 57.07 56.83 3mr1 s TYR 110 Cb -0.12 -0.52 -0.07 0.00 -0.40 0.00 0.00 41.96 40.85 3mr1 s TYR 110 CO 0.17 -0.01 0.77 0.71 -1.57 0.00 0.00 175.55 175.61 3mr1 s TYR 111 N -0.26 3.82 -0.36 2.71 2.02 -1.26 -1.91 117.35 122.11 3mr1 s TYR 111 Ca 0.03 1.55 -0.09 0.00 -0.37 0.00 0.00 57.07 58.18 3mr1 s TYR 111 Cb -0.04 -2.79 0.03 0.00 -0.40 0.00 0.00 41.96 38.77 3mr1 s TYR 111 CO -0.00 0.40 0.17 0.08 -1.57 0.00 0.00 175.55 174.62 3mr1 s VAL 112 N -0.60 4.29 0.00 0.71 1.01 -0.63 -4.81 120.40 120.35 3mr1 s VAL 112 Ca 0.37 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3mr1 s VAL 112 Cb -0.22 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3mr1 s VAL 112 CO 0.24 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3mr1 n GLY 113 N 4.93 2.61 3.63 4.51 0.00 -1.26 -0.25 105.19 119.37 3mr1 n GLY 113 Ca -0.12 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 6.21 -0.06 1.61 1.01 -1.26 -4.80 116.67 115.38 3mr1 s ASP 114 Ca 0.00 0.23 -0.02 0.00 0.71 0.00 0.00 52.55 53.47 3mr1 s ASP 114 Cb 0.00 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 3mr1 s ASP 114 CO 0.00 -0.06 0.03 -0.69 0.21 0.00 0.00 175.17 174.66 3mr1 s VAL 115 N 1.53 4.50 0.84 -1.27 1.01 -1.26 -3.17 120.40 122.59 3mr1 s VAL 115 Ca 0.12 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 3mr1 s VAL 115 Cb -0.15 -2.96 0.10 0.00 0.00 0.00 0.00 36.38 33.37 3mr1 s VAL 115 CO 0.08 0.51 1.16 0.00 0.00 0.00 0.00 175.10 176.86 3mr1 s ALA 116 N -1.00 2.34 0.23 5.51 0.00 -1.26 -4.89 121.76 122.68 3mr1 s ALA 116 Ca 0.17 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 3mr1 s ALA 116 Cb -0.12 -2.99 0.23 0.00 0.00 0.00 0.00 23.12 20.25 3mr1 s ALA 116 CO 0.06 -1.89 1.89 0.97 0.00 0.00 0.00 175.76 176.79 3mr1 h ILE 117 N -1.21 1.18 -0.28 0.00 6.09 -2.00 -3.05 117.51 118.24 3mr1 h ILE 117 Ca -0.48 -0.38 -0.10 0.00 -1.37 0.00 0.00 64.86 62.54 3mr1 h ILE 117 Cb 1.33 -0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 3mr1 h ILE 117 CO 0.65 0.20 -0.20 0.11 -3.07 0.00 0.00 178.15 175.84 3mr1 h LYS 118 N 1.11 0.63 -1.00 2.19 1.57 -2.00 -1.60 116.57 117.47 3mr1 h LYS 118 Ca 0.33 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3mr1 h LYS 118 Cb -0.06 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 3mr1 h LYS 118 CO -0.09 0.89 0.66 -1.35 -0.57 0.00 0.00 179.45 178.99 3mr1 h PRO 119 N 0.37 1.31 -0.35 3.15 0.11 -1.95 -2.28 132.00 132.36 3mr1 h PRO 119 Ca 0.06 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3mr1 h PRO 119 Cb 0.74 -0.30 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 3mr1 h PRO 119 CO 0.05 0.87 0.22 0.87 -0.21 0.00 0.00 178.00 179.80 3mr1 h LYS 120 N 1.35 0.46 -0.62 1.05 1.57 -1.38 -1.54 116.57 117.46 3mr1 h LYS 120 Ca 0.37 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 3mr1 h LYS 120 Cb -0.15 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.01 3mr1 h LYS 120 CO -0.08 0.32 0.34 0.00 -0.57 0.00 0.00 179.45 179.46 3mr1 h ARG 121 N 0.46 0.62 -0.48 3.15 3.08 -1.21 -0.66 114.38 119.34 3mr1 h ARG 121 Ca 0.13 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.16 3mr1 h ARG 121 Cb -0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3mr1 h ARG 121 CO -0.03 0.41 0.28 1.25 -1.07 0.00 0.00 179.97 180.81 3mr1 h LEU 122 N 0.64 0.44 -0.64 3.04 5.85 -1.10 -1.34 115.31 122.21 3mr1 h LEU 122 Ca 0.28 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3mr1 h LEU 122 Cb 0.16 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3mr1 h LEU 122 CO -0.17 0.31 0.18 0.40 -0.34 0.00 0.00 178.44 178.82 3mr1 h ILE 123 N 0.56 1.25 0.05 4.05 2.04 -0.99 -1.54 117.51 122.94 3mr1 h ILE 123 Ca 0.20 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 3mr1 h ILE 123 Cb 0.04 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3mr1 h ILE 123 CO -0.10 0.34 -0.03 -0.61 0.00 0.00 0.00 178.15 177.75 3mr1 h GLN 124 N 0.93 -0.07 -0.87 2.37 5.75 -0.80 -0.65 115.11 121.77 3mr1 h GLN 124 Ca 0.20 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.76 3mr1 h GLN 124 Cb 0.32 0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 3mr1 h GLN 124 CO -0.00 0.12 0.55 0.28 -2.65 0.00 0.00 178.83 177.13 3mr1 h VAL 125 N -0.25 1.07 -0.07 2.39 2.07 -1.20 -1.26 116.25 119.01 3mr1 h VAL 125 Ca -0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3mr1 h VAL 125 Cb 0.22 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3mr1 h VAL 125 CO 0.01 0.18 0.04 0.74 0.02 0.00 0.00 177.57 178.57 3mr1 h THR 126 N 1.01 1.03 -0.40 2.57 2.02 -1.11 0.20 112.91 118.23 3mr1 h THR 126 Ca 0.37 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.54 3mr1 h THR 126 Cb 0.13 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3mr1 h THR 126 CO -0.16 0.02 0.12 0.22 0.37 0.00 0.00 175.52 176.10 3mr1 h TYR 127 N 0.08 0.21 -0.37 3.16 3.20 -0.72 -1.91 116.97 120.62 3mr1 h TYR 127 Ca 0.02 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 3mr1 h TYR 127 Cb 0.00 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3mr1 h TYR 127 CO -0.07 0.07 -0.17 -0.44 -1.64 0.00 0.00 178.16 175.90 3mr1 h ASP 128 N 0.27 0.69 -0.39 -2.11 3.32 -1.02 -2.18 116.42 115.00 3mr1 h ASP 128 Ca 0.19 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3mr1 h ASP 128 Cb 0.20 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3mr1 h ASP 128 CO -0.22 0.87 0.10 0.00 -1.72 0.00 0.00 179.24 178.27 3mr1 h ALA 129 N 1.19 0.52 -0.57 3.45 0.00 -0.43 -0.34 119.26 123.09 3mr1 h ALA 129 Ca 0.10 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3mr1 h ALA 129 Cb 0.64 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3mr1 h ALA 129 CO 0.04 0.19 0.21 1.98 0.00 0.00 0.00 179.25 181.68 3mr1 h MET 130 N 0.49 0.39 -0.77 0.00 1.85 -1.20 -1.66 114.93 114.04 3mr1 h MET 130 Ca 0.12 -0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 3mr1 h MET 130 Cb 0.30 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.21 3mr1 h MET 130 CO 0.00 0.26 0.30 0.52 -0.40 0.00 0.00 176.91 177.59 3mr1 h MET 131 N 0.40 1.15 -0.81 0.39 2.07 -1.04 -1.02 114.93 116.08 3mr1 h MET 131 Ca 0.28 -0.21 0.06 0.00 -2.07 0.00 0.00 59.70 57.76 3mr1 h MET 131 Cb 0.31 -0.19 -0.06 0.00 -1.87 0.00 0.00 31.60 29.80 3mr1 h MET 131 CO -0.27 0.93 0.49 0.87 1.07 0.00 0.00 176.91 180.00 3mr1 h LYS 132 N 1.12 0.87 -0.03 1.72 1.79 -0.46 -0.22 116.57 121.36 3mr1 h LYS 132 Ca 0.26 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3mr1 h LYS 132 Cb 0.22 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 3mr1 h LYS 132 CO -0.02 0.58 0.02 0.78 -1.08 0.00 0.00 179.45 179.72 3mr1 h GLY 133 N 0.90 0.04 0.98 3.86 0.00 -0.62 -3.15 103.07 105.09 3mr1 h GLY 133 Ca 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 3mr1 h GLY 133 CO -0.17 0.02 0.22 -2.22 0.00 0.00 0.00 176.54 174.38 3mr1 h ILE 134 N -0.02 1.22 0.00 2.60 2.04 -1.03 -3.18 117.51 119.14 3mr1 h ILE 134 Ca 0.01 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3mr1 h ILE 134 Cb 0.06 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3mr1 h ILE 134 CO -0.00 0.26 0.00 -0.33 0.00 0.00 0.00 178.15 178.08 3mr1 h GLU 135 N 0.73 0.00 0.00 2.37 5.08 -1.00 0.37 114.58 122.13 3mr1 h GLU 135 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3mr1 h GLU 135 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3mr1 h GLU 135 CO -0.02 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.32 3mr1 n VAL 136 N -2.79 0.16 -2.39 3.13 0.24 -1.20 -4.90 118.33 110.58 3mr1 n VAL 136 Ca -0.01 0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.90 3mr1 n VAL 136 Cb 0.13 -0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 31.90 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 -2.97 4.13 -0.02 3.34 1.01 0.12 -4.82 120.40 121.19 3mr1 s VAL 137 Ca 0.14 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 3mr1 s VAL 137 Cb 0.18 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.73 3mr1 s VAL 137 CO 0.48 -0.04 1.04 0.00 0.00 0.00 0.00 175.10 176.58 3mr1 s ARG 138 N 2.65 0.71 0.31 2.72 1.70 -1.26 -3.30 118.95 122.49 3mr1 s ARG 138 Ca 0.58 -0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 55.23 3mr1 s ARG 138 Cb -0.25 0.29 -0.12 0.00 -0.57 0.00 0.00 34.95 34.29 3mr1 s ARG 138 CO 0.21 -0.32 1.38 -2.30 -1.08 0.00 0.00 175.30 173.19 3mr1 n PRO 139 N -0.29 2.23 0.00 3.89 -0.02 -1.26 -2.33 135.00 137.22 3mr1 n PRO 139 Ca -0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3mr1 n PRO 139 Cb 0.61 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.29 3.18 3.72 -1.23 0.00 -0.79 -5.00 105.19 106.35 3mr1 n GLY 140 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.20 1.82 0.11 4.61 0.00 -0.99 -4.73 121.76 120.39 3mr1 s ALA 141 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.40 3mr1 s ALA 141 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3mr1 s ALA 141 CO 0.00 -2.28 0.04 0.15 0.00 0.00 0.00 175.76 173.67 3mr1 s LYS 142 N -4.78 2.65 0.21 0.00 -0.14 -1.26 -0.48 119.74 115.93 3mr1 s LYS 142 Ca 0.64 -0.84 -0.10 0.00 -1.36 0.00 0.00 55.97 54.31 3mr1 s LYS 142 Cb -0.20 -2.58 0.27 0.00 -1.68 0.00 0.00 37.83 33.64 3mr1 s LYS 142 CO 0.57 0.53 1.74 1.25 -0.76 0.00 0.00 175.35 178.68 3mr1 h LEU 143 N 3.20 0.18 -2.51 3.17 5.85 -1.25 -1.49 115.31 122.45 3mr1 h LEU 143 Ca -0.47 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 3mr1 h LEU 143 Cb 1.17 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 3mr1 h LEU 143 CO 0.61 0.11 -0.02 1.23 -0.34 0.00 0.00 178.44 180.04 3mr1 h GLY 144 N 0.37 0.00 1.10 3.75 0.00 -1.50 -2.17 103.07 104.62 3mr1 h GLY 144 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.66 3mr1 h GLY 144 CO -0.32 0.00 0.54 -0.55 0.00 0.00 0.00 176.54 176.21 3mr1 h ASP 145 N 0.00 0.87 0.28 0.19 3.32 -1.47 -1.24 116.42 118.37 3mr1 h ASP 145 Ca -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3mr1 h ASP 145 Cb 0.13 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3mr1 h ASP 145 CO 0.00 0.61 -0.14 0.40 -1.72 0.00 0.00 179.24 178.39 3mr1 h ILE 146 N 1.02 0.76 -0.17 0.35 2.04 -1.52 -2.08 117.51 117.90 3mr1 h ILE 146 Ca 0.32 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3mr1 h ILE 146 Cb 0.02 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3mr1 h ILE 146 CO -0.09 0.06 0.01 1.23 0.00 0.00 0.00 178.15 179.36 3mr1 h GLY 147 N -0.52 0.17 0.45 5.37 0.00 -1.55 -1.66 103.07 105.35 3mr1 h GLY 147 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.39 3mr1 h GLY 147 CO 0.06 -0.02 0.31 -1.82 0.00 0.00 0.00 176.54 175.08 3mr1 h TYR 148 N 0.08 0.56 -0.39 5.60 3.20 -1.25 0.81 116.97 125.57 3mr1 h TYR 148 Ca 0.08 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3mr1 h TYR 148 Cb 0.09 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3mr1 h TYR 148 CO -0.15 0.19 0.01 0.00 -1.64 0.00 0.00 178.16 176.57 3mr1 h ALA 149 N 1.42 0.53 0.09 1.82 0.00 -0.95 0.10 119.26 122.27 3mr1 h ALA 149 Ca 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3mr1 h ALA 149 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mr1 h ALA 149 CO -0.28 0.29 -0.04 0.82 0.00 0.00 0.00 179.25 180.05 3mr1 h ILE 150 N 0.52 1.02 -0.27 0.00 2.04 -1.01 -2.57 117.51 117.24 3mr1 h ILE 150 Ca 0.11 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3mr1 h ILE 150 Cb 0.45 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3mr1 h ILE 150 CO 0.02 0.10 0.02 -0.61 0.00 0.00 0.00 178.15 177.67 3mr1 h GLN 151 N -0.29 0.46 -0.53 2.37 4.15 -0.79 -1.74 115.11 118.73 3mr1 h GLN 151 Ca -0.01 -0.14 0.09 0.00 0.77 0.00 0.00 58.65 59.36 3mr1 h GLN 151 Cb 0.25 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.82 3mr1 h GLN 151 CO 0.02 0.60 0.12 0.77 -1.93 0.00 0.00 178.83 178.41 3mr1 h SER 152 N 0.25 0.04 0.19 -0.69 0.02 -1.03 -1.13 113.55 111.19 3mr1 h SER 152 Ca 0.08 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3mr1 h SER 152 Cb 0.38 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3mr1 h SER 152 CO 0.01 0.04 -0.09 0.22 -1.14 0.00 0.00 176.83 175.87 3mr1 h TYR 153 N 0.27 -0.24 -0.44 3.45 5.03 -1.19 -1.21 116.97 122.65 3mr1 h TYR 153 Ca 0.27 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.62 3mr1 h TYR 153 Cb 0.36 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.68 3mr1 h TYR 153 CO -0.22 0.07 0.20 0.00 -1.32 0.00 0.00 178.16 176.89 3mr1 h ALA 154 N 0.18 0.54 -0.28 1.82 0.00 -1.30 -2.37 119.26 117.86 3mr1 h ALA 154 Ca -0.03 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3mr1 h ALA 154 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3mr1 h ALA 154 CO 0.04 -0.17 -0.37 0.93 0.00 0.00 0.00 179.25 179.68 3mr1 h GLU 155 N 0.40 0.65 0.00 0.00 5.08 -1.18 -1.97 114.58 117.55 3mr1 h GLU 155 Ca 0.20 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3mr1 h GLU 155 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3mr1 h GLU 155 CO -0.16 0.92 0.00 0.87 -1.00 0.00 0.00 179.01 179.63 3mr1 h LYS 156 N 0.54 0.00 -0.64 2.33 1.57 -1.01 -1.84 116.57 117.52 3mr1 h LYS 156 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3mr1 h LYS 156 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3mr1 h LYS 156 CO 0.08 0.00 0.04 0.72 -0.57 0.00 0.00 179.45 179.72 3mr1 n HIS 157 N -2.79 2.00 -2.08 -1.35 8.25 -0.91 -4.96 115.22 113.37 3mr1 n HIS 157 Ca 0.01 -0.74 -0.09 0.00 -0.26 0.00 0.00 57.72 56.64 3mr1 n HIS 157 Cb 0.29 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 3mr1 n HIS 157 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3mr1 n ASN 158 N 0.47 -3.15 -4.60 0.41 5.03 -0.69 -5.05 115.26 107.68 3mr1 n ASN 158 Ca 0.28 0.01 -0.27 0.00 0.87 0.00 0.00 54.58 55.47 3mr1 n ASN 158 Cb 1.16 -2.35 -0.11 0.00 -1.02 0.00 0.00 39.78 37.46 3mr1 n ASN 158 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3mr1 s TYR 159 N -2.43 2.43 0.31 3.10 2.02 -0.78 -4.95 117.35 117.06 3mr1 s TYR 159 Ca 0.00 -0.72 0.09 0.00 -0.37 0.00 0.00 57.07 56.08 3mr1 s TYR 159 Cb 0.00 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 3mr1 s TYR 159 CO 0.00 0.38 0.00 -1.54 -1.57 0.00 0.00 175.55 172.82 3mr1 s SER 160 N -3.68 4.30 -0.18 2.29 1.04 -0.61 -3.69 113.70 113.17 3mr1 s SER 160 Ca 0.35 -0.85 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 3mr1 s SER 160 Cb 0.10 -0.64 0.01 0.00 0.10 0.00 0.00 66.02 65.59 3mr1 s SER 160 CO 0.17 -0.14 -0.15 -0.69 0.98 0.00 0.00 173.24 173.41 3mr1 s VAL 161 N -2.44 2.52 0.23 5.02 1.01 -1.26 -1.67 120.40 123.80 3mr1 s VAL 161 Ca 0.34 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 61.21 3mr1 s VAL 161 Cb -0.03 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 3mr1 s VAL 161 CO 0.19 0.51 1.51 -0.69 0.00 0.00 0.00 175.10 176.62 3mr1 s VAL 162 N 1.17 2.56 -0.04 2.92 1.01 -0.83 -4.85 120.40 122.34 3mr1 s VAL 162 Ca 0.01 0.45 0.18 0.00 0.00 0.00 0.00 61.98 62.62 3mr1 s VAL 162 Cb -0.14 -3.29 -0.27 0.00 0.00 0.00 0.00 36.38 32.68 3mr1 s VAL 162 CO -0.06 0.06 0.36 0.54 0.00 0.00 0.00 175.10 175.99 3mr1 n ARG 163 N 2.88 0.62 0.09 2.72 1.74 -1.26 -4.68 116.66 118.76 3mr1 n ARG 163 Ca 0.09 -0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.14 3mr1 n ARG 163 Cb 0.39 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 -2.17 0.75 -4.41 0.55 8.00 -1.26 -4.80 116.55 113.21 3mr1 n ASP 164 Ca -0.06 0.25 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 3mr1 n ASP 164 Cb 0.53 0.57 -0.14 0.00 -0.02 0.00 0.00 41.12 42.05 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 -3.35 2.53 0.22 1.24 1.51 -1.26 -5.13 117.35 113.11 3mr1 s TYR 165 Ca -0.00 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3mr1 s TYR 165 Cb 0.11 -1.53 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 3mr1 s TYR 165 CO 0.79 0.13 0.05 0.95 -1.11 0.00 0.00 175.55 176.37 3mr1 s THR 166 N -0.75 0.64 1.15 -0.71 -4.23 -1.26 -4.74 115.64 105.74 3mr1 s THR 166 Ca 0.12 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.45 3mr1 s THR 166 Cb -0.10 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.60 3mr1 s THR 166 CO 0.01 -0.21 1.17 -0.83 -0.54 0.00 0.00 174.62 174.22 3mr1 s GLY 167 N -3.26 1.64 0.02 3.99 0.00 -0.41 -4.85 107.32 104.46 3mr1 s GLY 167 Ca 0.32 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 3mr1 s GLY 167 CO 0.09 -0.18 0.70 -2.38 0.00 0.00 0.00 173.10 171.34 3mr1 s HIS 168 N -3.24 -0.56 0.79 1.90 -3.43 -1.24 -1.12 115.29 108.39 3mr1 s HIS 168 Ca 0.72 0.70 -0.14 0.00 -0.80 0.00 0.00 55.06 55.54 3mr1 s HIS 168 Cb -0.08 0.48 0.04 0.00 -1.43 0.00 0.00 32.58 31.59 3mr1 s HIS 168 CO 0.55 -0.67 0.95 0.41 -2.00 0.00 0.00 174.74 173.98 3mr1 n GLY 169 N 0.31 -0.58 3.46 -1.38 0.00 -0.39 -0.66 105.19 105.95 3mr1 n GLY 169 Ca -0.16 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.04 0.01 0.00 -0.61 2.07 -1.11 -0.88 121.20 118.64 3mr1 s ILE 170 Ca 0.70 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.88 3mr1 s ILE 170 Cb -0.31 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.30 3mr1 s ILE 170 CO 0.54 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 3mr1 n GLY 171 N 0.45 -1.47 0.00 1.50 0.00 -1.26 -4.56 105.19 99.85 3mr1 n GLY 171 Ca -0.18 0.72 0.11 0.00 0.00 0.00 0.00 46.02 46.66 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 0.95 -4.12 1.61 1.74 -1.26 -0.74 116.66 114.84 3mr1 n ARG 172 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3mr1 n ARG 172 Cb 0.00 -1.35 -0.12 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.00 0.69 -0.04 1.55 1.01 -1.26 -4.90 120.40 115.44 3mr1 s VAL 173 Ca 0.32 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 3mr1 s VAL 173 Cb 0.15 -0.70 -0.12 0.00 0.00 0.00 0.00 36.38 35.70 3mr1 s VAL 173 CO 0.25 -0.25 0.78 0.15 0.00 0.00 0.00 175.10 176.02 3mr1 h PHE 174 N 4.69 -0.35 -3.62 5.22 3.04 -1.89 -3.41 116.94 120.62 3mr1 h PHE 174 Ca -0.36 -0.01 -0.66 0.00 3.98 0.00 0.00 57.97 60.93 3mr1 h PHE 174 Cb 1.20 0.12 -0.37 0.00 2.56 0.00 0.00 35.95 39.46 3mr1 h PHE 174 CO 0.60 -0.04 -0.81 -1.01 -2.02 0.00 0.00 178.31 175.03 3mr1 s HIS 175 N -3.45 2.96 0.42 0.41 3.76 -1.26 -4.54 115.29 113.59 3mr1 s HIS 175 Ca -0.10 -2.03 0.04 0.00 -0.15 0.00 0.00 55.06 52.81 3mr1 s HIS 175 Cb 0.01 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 31.82 3mr1 s HIS 175 CO 0.37 -0.84 0.12 0.34 -0.85 0.00 0.00 174.74 173.88 3mr1 s ASP 176 N 1.21 2.97 0.48 1.40 -1.08 -0.06 -4.97 116.67 116.62 3mr1 s ASP 176 Ca -0.05 -1.68 -0.20 0.00 -0.52 0.00 0.00 52.55 50.10 3mr1 s ASP 176 Cb -0.18 0.52 -0.09 0.00 -1.46 0.00 0.00 42.92 41.71 3mr1 s ASP 176 CO -0.07 -0.93 1.02 -1.59 0.52 0.00 0.00 175.17 174.12 3mr1 s LYS 177 N -3.72 3.87 0.61 4.34 -2.85 -1.26 -1.26 119.74 119.46 3mr1 s LYS 177 Ca 0.21 1.32 -0.00 0.00 -1.00 0.00 0.00 55.97 56.50 3mr1 s LYS 177 Cb 0.02 -2.11 0.06 0.00 -2.06 0.00 0.00 37.83 33.74 3mr1 s LYS 177 CO 0.13 -0.37 0.86 -1.25 0.10 0.00 0.00 175.35 174.82 3mr1 s PRO 178 N -3.24 2.29 0.07 1.78 0.04 -1.26 -3.84 135.00 130.83 3mr1 s PRO 178 Ca 0.66 -0.79 -0.31 0.00 0.04 0.00 0.00 61.00 60.61 3mr1 s PRO 178 Cb -0.15 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 3mr1 s PRO 178 CO 0.19 -0.96 1.23 0.45 0.04 0.00 0.00 177.00 177.94 3mr1 s SER 179 N -4.51 7.04 -0.68 6.66 0.15 -1.26 -1.66 113.70 119.43 3mr1 s SER 179 Ca 0.60 2.06 -0.13 0.00 0.70 0.00 0.00 55.95 59.18 3mr1 s SER 179 Cb -0.09 -2.58 0.17 0.00 -1.71 0.00 0.00 66.02 61.81 3mr1 s SER 179 CO 0.41 -0.50 0.61 -0.63 1.20 0.00 0.00 173.24 174.32 3mr1 s ILE 180 N 1.08 5.16 0.48 6.45 -1.09 -0.28 -4.92 121.20 128.08 3mr1 s ILE 180 Ca 0.60 -2.13 -0.22 0.00 -2.23 0.00 0.00 60.65 56.66 3mr1 s ILE 180 Cb -0.31 -4.26 -0.07 0.00 -1.58 0.00 0.00 42.46 36.25 3mr1 s ILE 180 CO 0.29 -0.94 1.16 -0.76 -1.23 0.00 0.00 174.94 173.47 3mr1 s LEU 181 N 0.73 3.94 0.00 2.97 1.02 -1.26 -1.28 118.68 124.79 3mr1 s LEU 181 Ca 0.12 2.29 0.22 0.00 0.02 0.00 0.00 54.13 56.77 3mr1 s LEU 181 Cb -0.19 -4.33 0.69 0.00 0.02 0.00 0.00 46.19 42.38 3mr1 s LEU 181 CO -0.04 -1.02 1.53 0.59 0.02 0.00 0.00 176.35 177.43 3mr1 n ASN 182 N -0.72 2.03 -3.96 2.29 3.02 -1.26 -3.37 115.26 113.29 3mr1 n ASN 182 Ca 0.09 -1.75 -0.09 0.00 -0.03 0.00 0.00 54.58 52.79 3mr1 n ASN 182 Cb 0.49 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.46 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 -1.77 0.37 0.00 3.10 1.13 -1.25 -3.36 117.35 115.58 3mr1 s TYR 183 Ca 0.34 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 3mr1 s TYR 183 Cb 0.19 -0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.88 3mr1 s TYR 183 CO 0.28 -0.57 0.00 0.41 -2.51 0.00 0.00 175.55 173.16 3mr1 n GLY 184 N -0.08 1.80 3.77 5.49 0.00 -1.26 -4.45 105.19 110.45 3mr1 n GLY 184 Ca -0.11 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.98 4.58 0.34 1.61 3.00 -1.26 -3.67 118.95 121.57 3mr1 s ARG 185 Ca 0.00 1.17 -0.29 0.00 0.00 0.00 0.00 55.73 56.62 3mr1 s ARG 185 Cb 0.00 -3.29 -0.12 0.00 0.00 0.00 0.00 34.95 31.55 3mr1 s ARG 185 CO 0.00 0.50 1.44 -1.71 0.00 0.00 0.00 175.30 175.53 3mr1 n ASN 186 N 1.86 3.40 0.00 0.23 5.15 -1.26 -3.31 115.26 121.33 3mr1 n ASN 186 Ca -0.05 1.20 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 3mr1 n ASN 186 Cb 0.49 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 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 0.93 1.40 3.92 8.20 0.00 -1.26 -4.90 105.19 113.48 3mr1 n GLY 187 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.69 2.93 0.00 2.61 -4.23 -1.21 -4.92 115.64 107.13 3mr1 s THR 188 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 3mr1 s THR 188 Cb 0.00 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.62 3mr1 s THR 188 CO 0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3mr1 n GLY 189 N -2.79 -1.02 3.72 3.99 0.00 -1.26 -1.39 105.19 106.44 3mr1 n GLY 189 Ca 0.06 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.12 3.24 -0.07 0.99 0.05 -1.26 -4.48 118.68 115.04 3mr1 s LEU 190 Ca 0.00 2.27 -0.28 0.00 0.05 0.00 0.00 54.13 56.17 3mr1 s LEU 190 Cb 0.00 -4.58 -0.02 0.00 -2.05 0.00 0.00 46.19 39.54 3mr1 s LEU 190 CO 0.00 -2.31 0.91 -0.89 -0.55 0.00 0.00 176.35 173.51 3mr1 s THR 191 N -2.16 4.88 0.48 5.48 2.01 -1.26 -1.29 115.64 123.79 3mr1 s THR 191 Ca 0.72 1.86 -0.22 0.00 0.31 0.00 0.00 61.69 64.36 3mr1 s THR 191 Cb -0.27 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 67.94 3mr1 s THR 191 CO 0.47 0.11 1.15 -0.76 -0.69 0.00 0.00 174.62 174.91 3mr1 s LEU 192 N 1.43 3.93 0.07 4.42 1.43 0.37 -4.92 118.68 125.41 3mr1 s LEU 192 Ca 0.46 2.25 0.02 0.00 -1.03 0.00 0.00 54.13 55.83 3mr1 s LEU 192 Cb -0.19 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 3mr1 s LEU 192 CO 0.21 -1.00 -0.07 -0.54 0.23 0.00 0.00 176.35 175.18 3mr1 s LYS 193 N -2.88 0.69 0.26 1.70 -0.14 -1.26 -1.89 119.74 116.22 3mr1 s LYS 193 Ca 0.66 -1.08 -0.31 0.00 -1.36 0.00 0.00 55.97 53.89 3mr1 s LYS 193 Cb -0.27 -0.21 -0.12 0.00 -1.68 0.00 0.00 37.83 35.55 3mr1 s LYS 193 CO 0.32 0.00 1.59 -1.91 -0.76 0.00 0.00 175.35 174.59 3mr1 n GLU 194 N 0.61 2.59 -0.05 1.68 2.13 -1.26 -2.87 120.64 123.48 3mr1 n GLU 194 Ca -0.17 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3mr1 n GLU 194 Cb 0.58 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.59 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 2.54 0.60 3.74 8.31 0.00 0.28 -4.73 105.19 115.93 3mr1 n GLY 195 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.95 4.75 -0.03 1.61 -1.94 -1.14 -1.21 119.30 120.39 3mr1 s MET 196 Ca 0.00 1.52 0.06 0.00 -1.71 0.00 0.00 55.69 55.56 3mr1 s MET 196 Cb 0.00 -3.31 -0.02 0.00 2.01 0.00 0.00 34.83 33.50 3mr1 s MET 196 CO 0.00 0.32 -0.20 -0.06 -0.01 0.00 0.00 175.02 175.07 3mr1 s PHE 197 N -0.58 2.51 0.15 -0.03 0.08 -1.26 -1.21 117.98 117.64 3mr1 s PHE 197 Ca 0.45 -0.30 -0.25 0.00 0.12 0.00 0.00 56.93 56.95 3mr1 s PHE 197 Cb -0.26 -1.56 0.06 0.00 -0.57 0.00 0.00 43.02 40.70 3mr1 s PHE 197 CO 0.32 0.07 0.90 -0.59 -0.10 0.00 0.00 175.22 175.82 3mr1 s PHE 198 N -0.68 -0.18 0.15 0.36 -0.12 -0.87 -2.76 117.98 113.88 3mr1 s PHE 198 Ca 0.11 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 56.90 3mr1 s PHE 198 Cb -0.10 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3mr1 s PHE 198 CO -0.00 -0.86 0.16 0.95 -0.05 0.00 0.00 175.22 175.42 3mr1 s THR 199 N -3.38 4.67 -0.20 -4.49 -4.23 0.17 -0.96 115.64 107.21 3mr1 s THR 199 Ca 0.11 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 3mr1 s THR 199 Cb -0.02 -3.37 0.04 0.00 1.34 0.00 0.00 72.50 70.49 3mr1 s THR 199 CO 0.01 -0.07 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.20 3mr1 s VAL 200 N -1.70 1.86 -0.39 2.29 1.01 -0.76 -3.73 120.40 118.98 3mr1 s VAL 200 Ca 0.31 -1.09 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3mr1 s VAL 200 Cb -0.11 -1.85 0.29 0.00 0.00 0.00 0.00 36.38 34.71 3mr1 s VAL 200 CO 0.24 0.26 0.61 -1.84 0.00 0.00 0.00 175.10 174.37 3mr1 n GLU 201 N 4.62 0.91 -2.31 2.72 0.28 -1.26 -2.25 120.64 123.35 3mr1 n GLU 201 Ca -0.17 -3.35 -0.39 0.00 -0.16 0.00 0.00 57.16 53.09 3mr1 n GLU 201 Cb 0.47 -1.44 -0.02 0.00 1.43 0.00 0.00 31.44 31.87 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 -1.72 4.21 -0.16 3.44 0.04 -1.22 -4.73 135.00 134.85 3mr1 s PRO 202 Ca 0.37 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.26 3mr1 s PRO 202 Cb 0.24 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 3mr1 s PRO 202 CO -0.10 -0.20 -0.06 -1.64 0.04 0.00 0.00 177.00 175.04 3mr1 s MET 203 N -2.08 3.54 -0.07 4.56 -1.94 -1.26 -3.38 119.30 118.66 3mr1 s MET 203 Ca 0.54 -0.59 0.04 0.00 -1.71 0.00 0.00 55.69 53.97 3mr1 s MET 203 Cb -0.32 -2.85 -0.00 0.00 2.01 0.00 0.00 34.83 33.67 3mr1 s MET 203 CO 0.41 0.15 -0.21 0.42 -0.01 0.00 0.00 175.02 175.78 3mr1 s ILE 204 N 0.56 1.80 -0.01 2.53 -1.09 0.19 -1.97 121.20 123.20 3mr1 s ILE 204 Ca -0.04 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3mr1 s ILE 204 Cb -0.15 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 3mr1 s ILE 204 CO 0.03 0.50 0.04 0.20 -1.23 0.00 0.00 174.94 174.48 3mr1 s ASN 205 N 0.21 5.39 0.22 3.58 0.01 -0.67 -0.79 114.94 122.89 3mr1 s ASN 205 Ca -0.12 0.08 -0.01 0.00 -0.71 0.00 0.00 52.86 52.11 3mr1 s ASN 205 Cb -0.15 -1.49 0.21 0.00 0.41 0.00 0.00 41.25 40.23 3mr1 s ASN 205 CO 0.06 0.29 1.58 0.00 -1.51 0.00 0.00 177.10 177.51 3mr1 h ALA 206 N 4.33 0.83 -3.00 0.60 0.00 -1.37 -1.63 119.26 119.02 3mr1 h ALA 206 Ca -0.49 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3mr1 h ALA 206 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3mr1 h ALA 206 CO 0.59 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.91 3mr1 n GLY 207 N 0.06 1.83 3.76 0.00 0.00 -1.26 -4.73 105.19 104.85 3mr1 n GLY 207 Ca -0.02 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.77 5.30 0.50 1.61 3.84 -1.26 -4.16 114.94 120.00 3mr1 s ASN 208 Ca 0.00 2.31 0.33 0.00 0.21 0.00 0.00 52.86 55.71 3mr1 s ASN 208 Cb 0.00 -2.59 1.46 0.00 -0.55 0.00 0.00 41.25 39.57 3mr1 s ASN 208 CO 0.00 -1.51 1.98 0.10 -2.79 0.00 0.00 177.10 174.88 3mr1 h TYR 209 N 0.90 0.00 -3.47 0.43 -0.00 -1.91 -3.46 116.97 109.45 3mr1 h TYR 209 Ca -0.50 0.00 -0.52 0.00 -0.00 0.00 0.00 58.73 57.71 3mr1 h TYR 209 Cb 1.29 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 38.03 3mr1 h TYR 209 CO 0.48 0.00 0.52 0.34 -0.00 0.00 0.00 178.16 179.50 3mr1 s ASP 210 N -5.25 7.16 0.30 0.10 2.15 -1.26 -4.50 116.67 115.37 3mr1 s ASP 210 Ca 0.01 2.13 0.07 0.00 0.43 0.00 0.00 52.55 55.19 3mr1 s ASP 210 Cb 0.10 -2.60 -0.06 0.00 -0.30 0.00 0.00 42.92 40.05 3mr1 s ASP 210 CO 0.48 -0.32 -0.05 0.42 -0.17 0.00 0.00 175.17 175.52 3mr1 s THR 211 N 0.05 1.70 -0.06 1.71 -4.23 -1.26 -0.78 115.64 112.77 3mr1 s THR 211 Ca 0.52 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3mr1 s THR 211 Cb -0.31 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.03 3mr1 s THR 211 CO 0.35 -0.25 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.50 3mr1 s ILE 212 N -2.97 0.68 -0.06 2.99 -1.09 -0.14 -4.78 121.20 115.83 3mr1 s ILE 212 Ca 0.31 -0.16 -0.22 0.00 -2.23 0.00 0.00 60.65 58.35 3mr1 s ILE 212 Cb 0.04 -0.71 -0.04 0.00 -1.58 0.00 0.00 42.46 40.17 3mr1 s ILE 212 CO 0.13 0.28 0.64 -0.22 -1.23 0.00 0.00 174.94 174.54 3mr1 s LEU 213 N 1.19 4.34 -0.08 2.97 2.96 -1.26 -1.36 118.68 127.43 3mr1 s LEU 213 Ca -0.06 1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 3mr1 s LEU 213 Cb -0.14 -2.99 -0.07 0.00 0.50 0.00 0.00 46.19 43.50 3mr1 s LEU 213 CO -0.02 -0.04 2.03 -0.55 -1.32 0.00 0.00 176.35 176.46 3mr1 s SER 214 N 0.51 6.06 0.25 3.68 0.15 0.23 -4.85 113.70 119.74 3mr1 s SER 214 Ca 0.34 2.28 0.02 0.00 0.70 0.00 0.00 55.95 59.29 3mr1 s SER 214 Cb -0.17 -2.52 0.32 0.00 -1.71 0.00 0.00 66.02 61.93 3mr1 s SER 214 CO 0.17 -1.42 1.65 0.11 1.20 0.00 0.00 173.24 174.94 3mr1 h LYS 215 N 12.32 0.44 -0.02 5.44 1.79 -1.95 -0.99 116.57 133.59 3mr1 h LYS 215 Ca -0.45 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 57.81 3mr1 h LYS 215 Cb 1.23 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3mr1 h LYS 215 CO 0.95 0.76 0.01 1.25 -1.08 0.00 0.00 179.45 181.35 3mr1 h LEU 216 N 0.37 0.03 -0.27 2.94 5.85 -1.99 -3.31 115.31 118.93 3mr1 h LEU 216 Ca 0.04 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3mr1 h LEU 216 Cb 0.84 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3mr1 h LEU 216 CO 0.07 0.11 -0.72 -0.90 -0.34 0.00 0.00 178.44 176.67 3mr1 n ASP 217 N -5.03 1.12 0.00 1.25 5.68 -1.24 -5.00 116.55 113.33 3mr1 n ASP 217 Ca -0.07 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 3mr1 n ASP 217 Cb 0.07 0.85 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 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 1.38 1.35 0.81 6.12 0.00 -0.38 -4.77 105.19 109.70 3mr1 n GLY 218 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.18 1.61 7.02 -1.26 -4.92 117.44 115.72 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 0.14 -0.03 0.00 -2.42 0.00 0.00 31.31 29.00 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 -1.76 3.83 -0.18 -0.99 2.01 -1.25 -4.67 115.64 112.62 3mr1 s THR 220 Ca 0.00 1.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.97 3mr1 s THR 220 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3mr1 s THR 220 CO 0.00 -0.08 0.05 -0.69 -0.69 0.00 0.00 174.62 173.22 3mr1 s VAL 221 N 3.58 4.66 0.19 3.82 1.01 -0.99 -0.61 120.40 132.07 3mr1 s VAL 221 Ca 0.66 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.64 3mr1 s VAL 221 Cb -0.29 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3mr1 s VAL 221 CO 0.24 0.46 -0.15 0.42 0.00 0.00 0.00 175.10 176.06 3mr1 s THR 222 N 0.45 1.75 0.28 3.92 -4.23 -0.47 0.76 115.64 118.10 3mr1 s THR 222 Ca 0.02 -2.12 -0.29 0.00 -1.18 0.00 0.00 61.69 58.12 3mr1 s THR 222 Cb -0.13 -1.97 -0.10 0.00 1.34 0.00 0.00 72.50 71.64 3mr1 s THR 222 CO 0.01 -0.52 1.24 0.42 -0.54 0.00 0.00 174.62 175.23 3mr1 s THR 223 N -2.70 3.09 0.22 3.99 -4.23 -0.56 -0.97 115.64 114.48 3mr1 s THR 223 Ca 0.20 1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 61.68 3mr1 s THR 223 Cb -0.02 -3.66 0.18 0.00 1.34 0.00 0.00 72.50 70.34 3mr1 s THR 223 CO 0.07 0.22 1.83 -0.09 -0.54 0.00 0.00 174.62 176.11 3mr1 h ARG 224 N 4.02 1.22 -0.00 3.99 2.43 -1.26 -2.53 114.38 122.24 3mr1 h ARG 224 Ca -0.47 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 3mr1 h ARG 224 Cb 1.22 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3mr1 h ARG 224 CO 0.69 0.92 -0.02 -0.40 -1.51 0.00 0.00 179.97 179.65 3mr1 n ASP 225 N -4.33 0.39 -0.26 -3.80 5.75 -1.26 -4.90 116.55 108.14 3mr1 n ASP 225 Ca 0.08 -0.98 -0.03 0.00 -0.01 0.00 0.00 54.79 53.85 3mr1 n ASP 225 Cb 0.13 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.76 -0.71 -1.39 0.11 4.76 -0.95 -5.01 118.16 114.20 3mr1 n LYS 226 Ca 0.21 0.44 -0.31 0.00 -2.87 0.00 0.00 58.31 55.78 3mr1 n LYS 226 Cb 0.20 -4.15 0.08 0.00 -1.84 0.00 0.00 35.03 29.32 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 -2.37 4.76 0.62 4.39 1.04 -1.26 -4.74 113.70 116.13 3mr1 s SER 227 Ca 0.00 1.68 -0.18 0.00 0.48 0.00 0.00 55.95 57.93 3mr1 s SER 227 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 3mr1 s SER 227 CO 0.00 -1.85 1.25 -0.76 0.98 0.00 0.00 173.24 172.86 3mr1 s LEU 228 N -5.79 3.63 -0.00 2.42 1.43 -1.26 -4.30 118.68 114.80 3mr1 s LEU 228 Ca 0.60 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 56.21 3mr1 s LEU 228 Cb -0.16 -4.60 -0.00 0.00 0.03 0.00 0.00 46.19 41.45 3mr1 s LEU 228 CO 0.56 -1.78 -0.04 -0.55 0.23 0.00 0.00 176.35 174.77 3mr1 s SER 229 N -1.50 0.45 0.12 2.29 0.15 -0.97 -0.97 113.70 113.27 3mr1 s SER 229 Ca 0.80 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 57.43 3mr1 s SER 229 Cb -0.34 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 3mr1 s SER 229 CO 0.36 0.05 -0.14 0.00 1.20 0.00 0.00 173.24 174.71 3mr1 s ALA 230 N -0.09 1.46 -0.01 5.45 0.00 0.03 -4.72 121.76 123.88 3mr1 s ALA 230 Ca 0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 3mr1 s ALA 230 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3mr1 s ALA 230 CO -0.00 0.09 0.07 -1.14 0.00 0.00 0.00 175.76 174.78 3mr1 s GLN 231 N -2.68 0.23 0.14 0.00 0.74 -1.26 -0.64 119.66 116.18 3mr1 s GLN 231 Ca 0.09 -0.15 0.06 0.00 0.05 0.00 0.00 55.36 55.40 3mr1 s GLN 231 Cb -0.05 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 3mr1 s GLN 231 CO 0.03 -0.04 -0.13 -0.06 -0.55 0.00 0.00 175.29 174.53 3mr1 s PHE 232 N -0.59 1.42 -0.06 1.67 0.08 -1.22 -3.96 117.98 115.32 3mr1 s PHE 232 Ca -0.07 -0.61 -0.05 0.00 0.12 0.00 0.00 56.93 56.33 3mr1 s PHE 232 Cb -0.04 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.71 3mr1 s PHE 232 CO 0.00 0.17 0.16 -2.00 -0.10 0.00 0.00 175.22 173.45 3mr1 s GLU 233 N -3.10 0.16 0.14 0.44 2.12 -0.84 -3.41 118.70 114.20 3mr1 s GLU 233 Ca 0.13 0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.82 3mr1 s GLU 233 Cb -0.02 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 3mr1 s GLU 233 CO 0.03 -0.07 -0.18 -1.01 -0.54 0.00 0.00 175.26 173.49 3mr1 s HIS 234 N 0.47 1.70 -0.17 5.30 3.76 -0.95 -2.33 115.29 123.06 3mr1 s HIS 234 Ca -0.03 -0.47 -0.12 0.00 -0.15 0.00 0.00 55.06 54.28 3mr1 s HIS 234 Cb -0.05 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.72 3mr1 s HIS 234 CO -0.02 0.25 0.22 0.99 -0.85 0.00 0.00 174.74 175.33 3mr1 s THR 235 N -1.83 5.35 0.13 1.30 2.01 -1.11 -1.83 115.64 119.67 3mr1 s THR 235 Ca 0.11 0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.54 3mr1 s THR 235 Cb -0.07 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3mr1 s THR 235 CO 0.05 0.42 -0.09 0.27 -0.69 0.00 0.00 174.62 174.58 3mr1 s ILE 236 N 0.35 1.04 0.07 1.82 -4.36 -0.14 -0.96 121.20 119.02 3mr1 s ILE 236 Ca 0.13 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.56 3mr1 s ILE 236 Cb -0.12 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.76 3mr1 s ILE 236 CO 0.02 -0.78 -0.18 -0.83 0.24 0.00 0.00 174.94 173.41 3mr1 s GLY 237 N -3.13 1.03 -0.28 6.27 0.00 0.56 -2.05 107.32 109.72 3mr1 s GLY 237 Ca 0.15 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.55 3mr1 s GLY 237 CO -0.01 -1.06 0.85 0.14 0.00 0.00 0.00 173.10 173.02 3mr1 s VAL 238 N -1.08 4.77 0.00 1.40 1.01 -0.35 -0.90 120.40 125.24 3mr1 s VAL 238 Ca 0.03 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.45 3mr1 s VAL 238 Cb -0.09 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3mr1 s VAL 238 CO 0.03 -0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.27 3mr1 n THR 239 N 5.46 0.00 -0.36 3.92 -2.24 -0.39 -0.56 114.28 120.11 3mr1 n THR 239 Ca 0.06 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.82 3mr1 n THR 239 Cb 0.48 -1.52 0.12 0.00 -2.10 0.00 0.00 70.33 67.31 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 1.29 0.00 -0.78 -0.00 -1.98 -3.36 116.57 111.75 3mr1 h LYS 240 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.57 3mr1 h LYS 240 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 32.23 31.94 3mr1 h LYS 240 CO 0.00 0.86 -0.57 -0.25 -0.00 0.00 0.00 179.45 179.49 3mr1 n ASP 241 N -4.38 1.86 0.00 7.07 8.00 -1.26 -4.55 116.55 123.29 3mr1 n ASP 241 Ca 0.11 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.28 3mr1 n ASP 241 Cb 0.02 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 3mr1 n ASP 241 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mr1 n GLY 242 N 1.59 1.72 3.29 0.44 0.00 -1.26 -4.74 105.19 106.23 3mr1 n GLY 242 Ca 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 1.52 1.40 -0.04 1.61 -0.71 -1.21 -1.26 117.98 119.30 3mr1 s PHE 243 Ca 0.00 -0.88 0.01 0.00 -1.04 0.00 0.00 56.93 55.02 3mr1 s PHE 243 Cb 0.00 -0.78 0.02 0.00 -1.21 0.00 0.00 43.02 41.06 3mr1 s PHE 243 CO 0.00 -0.03 -0.02 -2.00 -1.34 0.00 0.00 175.22 171.83 3mr1 s GLU 244 N -3.83 0.52 -0.36 1.99 2.12 -0.08 -4.75 118.70 114.31 3mr1 s GLU 244 Ca 0.24 -0.00 -0.20 0.00 0.36 0.00 0.00 54.97 55.36 3mr1 s GLU 244 Cb 0.05 -0.63 0.00 0.00 0.26 0.00 0.00 34.13 33.81 3mr1 s GLU 244 CO 0.05 -0.11 0.63 0.42 -0.54 0.00 0.00 175.26 175.71 3mr1 s ILE 245 N 0.96 4.89 0.21 -3.70 1.01 -1.26 -0.32 121.20 122.99 3mr1 s ILE 245 Ca -0.11 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.15 3mr1 s ILE 245 Cb -0.14 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3mr1 s ILE 245 CO -0.01 -0.33 1.48 -0.26 0.00 0.00 0.00 174.94 175.82 3mr1 h PHE 246 N 8.49 0.15 -1.21 3.97 0.04 -1.39 -3.36 116.94 123.64 3mr1 h PHE 246 Ca -0.26 -0.07 -0.54 0.00 2.80 0.00 0.00 57.97 59.89 3mr1 h PHE 246 Cb 1.11 -0.02 -0.19 0.00 2.20 0.00 0.00 35.95 39.04 3mr1 h PHE 246 CO 0.75 0.81 0.53 0.25 -0.60 0.00 0.00 178.31 180.05 3mr1 n THR 247 N -3.71 3.35 1.06 -1.55 -2.24 -1.23 -2.95 114.28 107.02 3mr1 n THR 247 Ca -0.02 -3.17 0.12 0.00 -2.27 0.00 0.00 64.05 58.72 3mr1 n THR 247 Cb 0.72 -1.50 0.15 0.00 -2.10 0.00 0.00 70.33 67.60 3mr1 n THR 247 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68