#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssm h LEU 3 N 0.00 0.38 -0.09 -4.42 -0.00 -2.00 -1.16 115.31 108.02 1ssm h LEU 3 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.64 1ssm h LEU 3 Cb 0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1ssm h LEU 3 CO 0.00 0.24 -0.99 0.44 -0.00 0.00 0.00 178.44 178.13 1ssm h ASP 4 N 0.43 0.72 -0.37 -0.43 3.32 -2.04 -2.16 116.42 115.89 1ssm h ASP 4 Ca 0.24 -0.58 0.03 0.00 0.02 0.00 0.00 57.03 56.74 1ssm h ASP 4 Cb 0.40 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1ssm h ASP 4 CO -0.06 1.38 0.18 0.58 -1.72 0.00 0.00 179.24 179.59 1ssm h VAL 5 N 0.31 0.97 -0.12 -1.35 2.07 -1.76 -0.39 116.25 115.98 1ssm h VAL 5 Ca -0.10 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1ssm h VAL 5 Cb 1.64 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1ssm h VAL 5 CO 0.18 0.07 -0.11 -0.25 0.02 0.00 0.00 177.57 177.48 1ssm h TRP 6 N 0.37 -0.27 -0.51 1.57 -0.00 -1.19 -1.36 115.95 114.56 1ssm h TRP 6 Ca 0.16 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 59.15 1ssm h TRP 6 Cb 0.07 0.14 -0.07 0.00 -0.00 0.00 0.00 29.16 29.30 1ssm h TRP 6 CO -0.10 -0.17 0.10 1.96 -0.00 0.00 0.00 178.44 180.23 1ssm h GLN 7 N -0.13 0.23 -0.84 2.65 1.08 -0.68 0.50 115.11 117.92 1ssm h GLN 7 Ca 0.08 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1ssm h GLN 7 Cb 0.25 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.59 1ssm h GLN 7 CO -0.20 0.15 0.49 0.45 -0.95 0.00 0.00 178.83 178.77 1ssm h HIS 8 N 0.24 1.13 -0.05 2.96 3.86 -0.70 -1.62 115.15 120.96 1ssm h HIS 8 Ca 0.26 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1ssm h HIS 8 Cb 0.35 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1ssm h HIS 8 CO -0.23 0.76 0.03 0.82 0.86 0.00 0.00 177.93 180.18 1ssm h ILE 9 N 1.17 1.07 -0.80 2.45 2.04 -0.09 -0.02 117.51 123.32 1ssm h ILE 9 Ca 0.30 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1ssm h ILE 9 Cb -0.02 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1ssm h ILE 9 CO -0.05 0.06 0.50 0.03 0.00 0.00 0.00 178.15 178.68 1ssm h ARG 10 N 0.01 0.92 -0.25 2.37 3.08 -0.76 0.26 114.38 120.00 1ssm h ARG 10 Ca 0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1ssm h ARG 10 Cb 0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1ssm h ARG 10 CO -0.00 0.61 0.07 0.37 -1.07 0.00 0.00 179.97 179.94 1ssm h GLN 11 N 0.94 0.39 -0.11 0.04 4.15 -0.88 -1.87 115.11 117.77 1ssm h GLN 11 Ca 0.33 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1ssm h GLN 11 Cb 0.09 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1ssm h GLN 11 CO -0.14 0.48 0.07 0.93 -1.93 0.00 0.00 178.83 178.24 1ssm h GLU 12 N 0.23 0.15 -0.14 1.69 5.08 -0.36 -2.69 114.58 118.54 1ssm h GLU 12 Ca 0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ssm h GLU 12 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1ssm h GLU 12 CO -0.00 0.12 0.04 0.00 -1.00 0.00 0.00 179.01 178.17 1ssm h ALA 13 N 1.03 1.82 -0.73 3.43 0.00 -0.27 0.30 119.26 124.83 1ssm h ALA 13 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ssm h ALA 13 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ssm h ALA 13 CO -0.01 0.15 0.20 0.87 0.00 0.00 0.00 179.25 180.46 1ssm h LYS 14 N 0.19 1.15 0.15 0.00 1.57 -1.01 -0.88 116.57 117.75 1ssm h LYS 14 Ca 0.05 -0.27 -0.30 0.00 -1.87 0.00 0.00 60.65 58.26 1ssm h LYS 14 Cb 0.07 -0.16 0.03 0.00 0.08 0.00 0.00 32.23 32.25 1ssm h LYS 14 CO -0.00 1.00 -1.30 0.93 -0.57 0.00 0.00 179.45 179.51 1ssm h GLU 15 N 1.09 0.56 -0.51 3.15 4.39 -1.09 -2.81 114.58 119.36 1ssm h GLU 15 Ca 0.23 -0.81 0.07 0.00 0.34 0.00 0.00 59.36 59.19 1ssm h GLU 15 Cb 0.35 0.28 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 1ssm h GLU 15 CO -0.00 1.37 0.19 -0.07 -1.16 0.00 0.00 179.01 179.34 1ssm h LEU 16 N 0.22 0.20 -1.85 1.33 4.07 -0.33 0.59 115.31 119.55 1ssm h LEU 16 Ca -0.20 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 1ssm h LEU 16 Cb 1.98 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.75 1ssm h LEU 16 CO 0.24 0.14 -0.13 0.00 -1.08 0.00 0.00 178.44 177.61 1ssm h ALA 17 N 1.34 1.31 -0.09 1.53 0.00 -1.20 -2.22 119.26 119.93 1ssm h ALA 17 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1ssm h ALA 17 Cb 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ssm h ALA 17 CO -0.25 0.17 -0.13 0.93 0.00 0.00 0.00 179.25 179.97 1ssm h GLU 18 N 0.00 0.25 0.00 0.00 4.39 -0.69 -3.27 114.58 115.25 1ssm h GLU 18 Ca -0.00 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1ssm h GLU 18 Cb 0.35 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1ssm h GLU 18 CO 0.02 0.71 0.00 0.09 -1.16 0.00 0.00 179.01 178.67 1ssm n ASN 19 N -4.61 0.49 -3.51 1.42 4.13 -0.16 -4.53 115.26 108.49 1ssm n ASN 19 Ca -0.07 0.59 -0.29 0.00 1.68 0.00 0.00 54.58 56.48 1ssm n ASN 19 Cb 0.36 -0.70 -0.12 0.00 -1.54 0.00 0.00 39.78 37.78 1ssm n ASN 19 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ssm s GLU 20 N -3.15 0.65 0.00 3.52 2.56 -0.86 -5.09 118.70 116.33 1ssm s GLU 20 Ca 0.08 -1.40 0.00 0.00 0.00 0.00 0.00 54.97 53.64 1ssm s GLU 20 Cb 0.12 -1.46 0.00 0.00 2.00 0.00 0.00 34.13 34.78 1ssm s GLU 20 CO 0.44 -1.19 0.00 -2.30 -0.56 0.00 0.00 175.26 171.65 1ssm n PRO 21 N 4.01 0.00 0.00 4.30 -0.02 -1.26 -2.30 135.00 139.73 1ssm n PRO 21 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1ssm n PRO 21 Cb 0.37 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1ssm n PRO 21 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1ssm n LEU 23 N 1.26 0.00 -0.27 2.45 7.94 -1.26 -4.59 117.00 122.54 1ssm n LEU 23 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1ssm n LEU 23 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 1ssm n LEU 23 CO 0.00 0.00 0.98 0.00 -1.11 0.00 0.00 177.39 177.26 1ssm h ALA 24 N 0.00 0.99 -0.19 1.96 0.00 -1.72 -2.23 119.26 118.06 1ssm h ALA 24 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ssm h ALA 24 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ssm h ALA 24 CO 0.00 0.67 0.06 0.66 0.00 0.00 0.00 179.25 180.64 1ssm h SER 25 N 1.11 0.23 -0.07 0.00 4.64 -1.91 -0.52 113.55 117.04 1ssm h SER 25 Ca 0.24 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1ssm h SER 25 Cb 0.33 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ssm h SER 25 CO -0.00 0.23 -0.01 0.15 -0.87 0.00 0.00 176.83 176.33 1ssm h PHE 26 N 0.26 0.14 -0.51 4.77 3.57 -1.82 0.28 116.94 123.63 1ssm h PHE 26 Ca 0.07 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1ssm h PHE 26 Cb 0.09 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1ssm h PHE 26 CO 0.00 0.43 0.09 0.74 -2.23 0.00 0.00 178.31 177.34 1ssm h PHE 27 N -0.19 0.84 -0.03 0.41 -1.00 -1.04 -0.34 116.94 115.58 1ssm h PHE 27 Ca 0.02 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 1ssm h PHE 27 Cb 0.38 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 1ssm h PHE 27 CO 0.04 0.73 -0.00 0.45 -1.61 0.00 0.00 178.31 177.92 1ssm h HIS 28 N 0.77 0.06 -0.67 -0.55 3.86 -0.85 0.13 115.15 117.91 1ssm h HIS 28 Ca 0.16 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 1ssm h HIS 28 Cb 0.34 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1ssm h HIS 28 CO 0.02 0.37 0.19 0.77 0.86 0.00 0.00 177.93 180.14 1ssm h SER 29 N -0.26 0.99 0.74 2.45 0.02 -0.30 -2.75 113.55 114.44 1ssm h SER 29 Ca 0.01 -0.22 -0.26 0.00 -0.84 0.00 0.00 61.79 60.49 1ssm h SER 29 Cb 0.34 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1ssm h SER 29 CO 0.00 0.94 -1.25 0.71 -1.14 0.00 0.00 176.83 176.09 1ssm h THR 30 N 0.98 1.45 0.00 -2.27 1.35 -1.08 -3.45 112.91 109.89 1ssm h THR 30 Ca 0.21 -3.13 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 1ssm h THR 30 Cb 0.32 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1ssm h THR 30 CO -0.00 0.87 -0.26 -0.38 -0.25 0.00 0.00 175.52 175.49 1ssm n ILE 31 N -3.38 0.55 0.28 6.82 5.41 0.42 -4.67 119.36 124.79 1ssm n ILE 31 Ca -0.07 0.18 0.14 0.00 1.00 0.00 0.00 62.75 64.00 1ssm n ILE 31 Cb 1.00 -1.25 0.83 0.00 -0.71 0.00 0.00 39.64 39.50 1ssm n ILE 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ssm h LEU 32 N 0.00 0.00 -0.84 1.39 3.38 -1.36 -1.63 115.31 116.25 1ssm h LEU 32 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ssm h LEU 32 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1ssm h LEU 32 CO 0.00 0.06 -0.02 2.29 0.09 0.00 0.00 178.44 180.86 1ssm n LYS 33 N -3.70 1.53 -3.70 1.13 2.85 -1.04 -4.85 118.16 110.38 1ssm n LYS 33 Ca -0.02 -0.84 -0.23 0.00 -1.05 0.00 0.00 58.31 56.17 1ssm n LYS 33 Cb 0.17 -1.48 -0.02 0.00 -0.65 0.00 0.00 35.03 33.04 1ssm n LYS 33 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1ssm s HIS 34 N -2.04 3.48 -1.18 5.58 3.76 -0.61 -5.03 115.29 119.24 1ssm s HIS 34 Ca 0.38 0.18 0.12 0.00 -0.15 0.00 0.00 55.06 55.59 1ssm s HIS 34 Cb 0.21 -1.74 0.25 0.00 1.11 0.00 0.00 32.58 32.41 1ssm s HIS 34 CO 0.35 0.31 1.15 1.04 -0.85 0.00 0.00 174.74 176.74 1ssm n GLN 35 N -1.42 2.13 -3.61 1.40 6.02 -1.26 -5.02 117.38 115.62 1ssm n GLN 35 Ca -0.07 -1.81 -0.02 0.00 -0.01 0.00 0.00 57.00 55.10 1ssm n GLN 35 Cb 0.56 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.53 1ssm n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ssm s ASN 36 N -1.00 -0.09 0.51 1.08 2.20 -1.26 -5.04 114.94 111.34 1ssm s ASN 36 Ca 0.22 -0.05 0.18 0.00 -0.94 0.00 0.00 52.86 52.26 1ssm s ASN 36 Cb 0.12 0.14 1.29 0.00 -2.00 0.00 0.00 41.25 40.80 1ssm s ASN 36 CO 0.17 -0.24 2.13 0.25 -2.94 0.00 0.00 177.10 176.46 1ssm h LEU 37 N 2.00 0.00 -0.29 3.54 5.85 -1.96 -2.82 115.31 121.64 1ssm h LEU 37 Ca -0.18 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 1ssm h LEU 37 Cb 1.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ssm h LEU 37 CO 0.25 0.04 -0.37 1.23 -0.34 0.00 0.00 178.44 179.25 1ssm h GLY 38 N 0.15 0.83 1.29 3.75 0.00 -1.96 0.12 103.07 107.25 1ssm h GLY 38 Ca -0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 1ssm h GLY 38 CO 0.01 0.81 0.13 -1.33 0.00 0.00 0.00 176.54 176.15 1ssm h GLY 39 N 0.51 0.95 0.63 4.60 0.00 -1.91 -0.21 103.07 107.63 1ssm h GLY 39 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 1ssm h GLY 39 CO 0.09 0.53 -0.04 0.00 0.00 0.00 0.00 176.54 177.11 1ssm h ALA 40 N 1.29 0.09 -0.85 3.60 0.00 -1.33 -1.91 119.26 120.16 1ssm h ALA 40 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ssm h ALA 40 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ssm h ALA 40 CO 0.00 -0.14 0.43 1.25 0.00 0.00 0.00 179.25 180.79 1ssm h LEU 41 N -0.27 1.09 -0.85 0.00 5.85 -0.59 -0.65 115.31 119.88 1ssm h LEU 41 Ca 0.01 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 1ssm h LEU 41 Cb 0.51 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ssm h LEU 41 CO 0.01 0.90 -0.31 0.77 -0.34 0.00 0.00 178.44 179.47 1ssm h SER 42 N 1.20 0.50 -0.25 1.25 4.64 -1.03 -0.02 113.55 119.84 1ssm h SER 42 Ca 0.29 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.38 1ssm h SER 42 Cb 0.08 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1ssm h SER 42 CO -0.04 0.79 -0.03 0.22 -0.87 0.00 0.00 176.83 176.90 1ssm h TYR 43 N 0.42 0.51 0.06 4.77 5.03 -0.48 -1.65 116.97 125.64 1ssm h TYR 43 Ca 0.05 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.26 1ssm h TYR 43 Cb 0.75 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.90 1ssm h TYR 43 CO 0.03 0.65 -0.03 -0.07 -1.32 0.00 0.00 178.16 177.42 1ssm h LEU 44 N 0.22 -0.07 -0.54 2.82 3.38 -0.98 -2.27 115.31 117.86 1ssm h LEU 44 Ca 0.07 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1ssm h LEU 44 Cb 0.47 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1ssm h LEU 44 CO 0.02 0.08 -0.22 -0.07 0.09 0.00 0.00 178.44 178.34 1ssm h LEU 45 N -0.22 0.97 -0.10 1.67 3.38 -1.03 -1.78 115.31 118.20 1ssm h LEU 45 Ca -0.01 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1ssm h LEU 45 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1ssm h LEU 45 CO 0.01 1.14 -0.07 0.00 0.09 0.00 0.00 178.44 179.62 1ssm h ALA 46 N 0.92 0.01 -0.77 1.53 0.00 -1.30 -0.15 119.26 119.51 1ssm h ALA 46 Ca 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ssm h ALA 46 Cb 0.78 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1ssm h ALA 46 CO 0.06 -0.53 0.32 -0.91 0.00 0.00 0.00 179.25 178.20 1ssm h ASN 47 N -0.08 1.06 0.63 0.00 2.35 -1.29 -0.48 115.58 117.78 1ssm h ASN 47 Ca 0.06 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.52 1ssm h ASN 47 Cb 0.17 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1ssm h ASN 47 CO -0.14 0.93 -0.62 0.11 -1.65 0.00 0.00 177.43 176.06 1ssm h LYS 48 N 1.12 0.00 0.00 0.81 1.79 -0.95 -3.03 116.57 116.30 1ssm h LYS 48 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1ssm h LYS 48 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1ssm h LYS 48 CO -0.02 0.62 -0.74 1.28 -1.08 0.00 0.00 179.45 179.51 1ssm n LEU 49 N -3.79 0.62 -4.65 2.94 4.77 -0.10 -4.81 117.00 111.98 1ssm n LEU 49 Ca -0.01 -0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.60 1ssm n LEU 49 Cb 0.62 -0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.65 1ssm n LEU 49 CO 0.42 0.09 0.63 0.00 -1.33 0.00 0.00 177.39 177.20 1ssm n ALA 50 N -1.65 -0.19 -3.84 -1.18 0.00 -0.20 -4.99 120.51 108.46 1ssm n ALA 50 Ca 0.04 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1ssm n ALA 50 Cb 0.38 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 17.65 1ssm n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ssm s ASN 51 N -1.88 -0.16 0.55 0.00 2.20 -1.26 -4.96 114.94 109.42 1ssm s ASN 51 Ca 0.73 -0.79 0.23 0.00 -0.94 0.00 0.00 52.86 52.09 1ssm s ASN 51 Cb -0.31 0.77 1.47 0.00 -2.00 0.00 0.00 41.25 41.18 1ssm s ASN 51 CO 0.51 -1.46 2.12 -0.65 -2.94 0.00 0.00 177.10 174.68 1ssm h PRO 52 N 2.00 0.00 -0.84 3.55 0.11 -2.04 -3.14 132.00 131.64 1ssm h PRO 52 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1ssm h PRO 52 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ssm h PRO 52 CO 0.29 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.19 1ssm n ILE 53 N -4.23 0.68 -3.93 4.15 5.41 -1.26 -5.13 119.36 115.06 1ssm n ILE 53 Ca 0.01 -0.36 -0.10 0.00 1.00 0.00 0.00 62.75 63.30 1ssm n ILE 53 Cb 0.26 -0.40 -0.02 0.00 -0.71 0.00 0.00 39.64 38.78 1ssm n ILE 53 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1ssm s PRO 55 N -1.48 1.95 0.18 0.38 0.02 -1.19 -5.12 135.00 129.74 1ssm s PRO 55 Ca 0.14 -1.42 -0.15 0.00 0.02 0.00 0.00 61.00 59.59 1ssm s PRO 55 Cb 0.11 0.54 0.16 0.00 0.02 0.00 0.00 34.50 35.33 1ssm s PRO 55 CO 0.04 -0.87 1.67 0.00 -0.33 0.00 0.00 177.00 177.52 1ssm h ALA 56 N 2.08 0.38 -0.38 -1.55 0.00 -1.86 0.25 119.26 118.19 1ssm h ALA 56 Ca -0.28 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ssm h ALA 56 Cb 1.25 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1ssm h ALA 56 CO 0.36 -0.42 0.21 0.97 0.00 0.00 0.00 179.25 180.37 1ssm h ILE 57 N 0.06 1.12 -0.07 0.00 2.10 -2.00 -0.23 117.51 118.49 1ssm h ILE 57 Ca 0.23 -0.29 -0.23 0.00 1.08 0.00 0.00 64.86 65.65 1ssm h ILE 57 Cb 0.35 0.61 0.01 0.00 -1.09 0.00 0.00 36.82 36.71 1ssm h ILE 57 CO -0.44 0.13 -0.84 0.28 -1.08 0.00 0.00 178.15 176.20 1ssm h SER 58 N 0.52 0.86 -0.45 2.19 0.02 -1.49 -3.31 113.55 111.89 1ssm h SER 58 Ca 0.14 -0.69 -0.12 0.00 -0.84 0.00 0.00 61.79 60.28 1ssm h SER 58 Cb 0.01 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1ssm h SER 58 CO -0.02 1.42 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.83 1ssm h LEU 59 N 0.37 0.95 -0.83 5.07 3.38 -0.50 -3.23 115.31 120.53 1ssm h LEU 59 Ca -0.08 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.60 1ssm h LEU 59 Cb 1.49 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1ssm h LEU 59 CO 0.17 1.13 0.46 -0.09 0.09 0.00 0.00 178.44 180.20 1ssm h ARG 60 N 0.77 0.72 -0.72 1.13 2.43 -1.15 -1.35 114.38 116.20 1ssm h ARG 60 Ca 0.10 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1ssm h ARG 60 Cb 0.76 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 1ssm h ARG 60 CO 0.06 0.47 0.42 1.49 -1.51 0.00 0.00 179.97 180.91 1ssm h GLU 61 N 0.74 0.75 -0.15 0.20 4.81 -1.64 0.13 114.58 119.41 1ssm h GLU 61 Ca 0.42 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1ssm h GLU 61 Cb 0.46 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1ssm h GLU 61 CO -0.28 0.50 0.07 0.82 -0.73 0.00 0.00 179.01 179.39 1ssm h ILE 62 N 0.77 1.13 -0.72 2.32 2.04 -1.35 -1.86 117.51 119.84 1ssm h ILE 62 Ca 0.32 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1ssm h ILE 62 Cb 0.18 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1ssm h ILE 62 CO -0.18 0.12 0.43 0.40 0.00 0.00 0.00 178.15 178.92 1ssm h ILE 63 N 0.12 1.21 -0.06 -0.67 2.04 -0.79 -2.27 117.51 117.08 1ssm h ILE 63 Ca 0.05 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 1ssm h ILE 63 Cb 0.12 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1ssm h ILE 63 CO -0.01 0.22 -0.28 -0.33 0.00 0.00 0.00 178.15 177.75 1ssm h GLU 64 N 0.99 0.11 -0.32 2.37 5.08 -0.64 -1.28 114.58 120.88 1ssm h GLU 64 Ca 0.26 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1ssm h GLU 64 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1ssm h GLU 64 CO -0.05 0.38 -0.05 1.49 -1.00 0.00 0.00 179.01 179.79 1ssm h GLU 65 N 0.10 0.61 -0.72 2.33 4.22 -0.84 -2.26 114.58 118.02 1ssm h GLU 65 Ca 0.01 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.24 1ssm h GLU 65 Cb 0.55 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1ssm h GLU 65 CO 0.04 0.77 0.45 0.00 -2.18 0.00 0.00 179.01 178.09 1ssm h ALA 66 N 0.82 0.91 0.00 2.92 0.00 -0.84 -0.75 119.26 122.31 1ssm h ALA 66 Ca 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1ssm h ALA 66 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ssm h ALA 66 CO 0.03 0.36 -0.29 1.88 0.00 0.00 0.00 179.25 181.23 1ssm h TYR 67 N 0.97 0.00 0.00 0.00 0.99 -1.18 0.52 116.97 118.27 1ssm h TYR 67 Ca 0.26 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.86 1ssm h TYR 67 Cb -0.07 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.64 1ssm h TYR 67 CO -0.02 0.29 -0.69 0.37 -0.00 0.00 0.00 178.16 178.11 1ssm h GLN 68 N 0.00 0.00 0.01 4.88 4.15 -0.67 -2.76 115.11 120.73 1ssm h GLN 68 Ca -0.00 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.15 1ssm h GLN 68 Cb 0.59 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1ssm h GLN 68 CO 0.04 0.56 -1.43 0.77 -1.93 0.00 0.00 178.83 176.83 1ssm h SER 69 N 0.00 0.05 -2.46 -0.69 0.02 -0.81 -3.41 113.55 106.25 1ssm h SER 69 Ca -0.03 -0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 60.26 1ssm h SER 69 Cb 1.47 -0.02 -0.39 0.00 0.14 0.00 0.00 62.40 63.61 1ssm h SER 69 CO 0.07 1.06 -0.92 0.21 -1.14 0.00 0.00 176.83 176.11 1ssm s ASN 70 N -6.43 1.87 0.39 3.07 2.47 0.14 -5.00 114.94 111.45 1ssm s ASN 70 Ca -0.03 -3.17 0.15 0.00 0.42 0.00 0.00 52.86 50.23 1ssm s ASN 70 Cb 0.09 -0.59 1.00 0.00 -1.45 0.00 0.00 41.25 40.30 1ssm s ASN 70 CO 0.82 -0.16 1.84 -0.65 -3.72 0.00 0.00 177.10 175.23 1ssm h PRO 71 N 5.61 0.48 0.00 0.43 0.11 -1.72 -2.51 132.00 134.41 1ssm h PRO 71 Ca 0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1ssm h PRO 71 Cb 0.89 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1ssm h PRO 71 CO 0.42 0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 1ssm n SER 72 N -4.56 0.37 -0.22 -2.05 3.41 -1.26 -1.59 113.62 107.71 1ssm n SER 72 Ca 0.20 0.67 -0.04 0.00 -0.26 0.00 0.00 58.87 59.44 1ssm n SER 72 Cb 0.67 -0.72 0.12 0.00 -0.26 0.00 0.00 64.21 64.02 1ssm n SER 72 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ssm h ILE 73 N 0.00 1.25 -0.34 -1.33 2.04 -1.80 -0.86 117.51 116.46 1ssm h ILE 73 Ca 0.00 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1ssm h ILE 73 Cb 0.00 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1ssm h ILE 73 CO 0.00 0.32 -0.05 0.40 0.00 0.00 0.00 178.15 178.82 1ssm h ILE 74 N 1.02 1.27 -0.73 -0.67 2.04 -1.53 -2.41 117.51 116.51 1ssm h ILE 74 Ca 0.23 -1.08 0.12 0.00 1.00 0.00 0.00 64.86 65.13 1ssm h ILE 74 Cb 0.24 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 1ssm h ILE 74 CO -0.01 0.35 0.30 0.44 0.00 0.00 0.00 178.15 179.23 1ssm h ASP 75 N 0.43 0.31 0.01 1.72 3.32 -1.41 -0.04 116.42 120.77 1ssm h ASP 75 Ca 0.09 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 1ssm h ASP 75 Cb 0.54 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1ssm h ASP 75 CO 0.03 0.14 -0.20 0.00 -1.72 0.00 0.00 179.24 177.49 1ssm h ALA 77 N 1.49 0.46 -0.67 0.00 0.00 -0.53 0.12 119.26 120.12 1ssm h ALA 77 Ca 0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ssm h ALA 77 Cb 0.54 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ssm h ALA 77 CO 0.04 -0.03 0.21 0.00 0.00 0.00 0.00 179.25 179.47 1ssm h ALA 78 N 1.08 1.11 -0.03 0.00 0.00 -0.89 -1.21 119.26 119.31 1ssm h ALA 78 Ca 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1ssm h ALA 78 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ssm h ALA 78 CO -0.02 0.61 -0.30 0.00 0.00 0.00 0.00 179.25 179.54 1ssm h ASP 80 N 0.05 0.28 0.47 0.00 3.32 -0.05 -2.61 116.42 117.88 1ssm h ASP 80 Ca 0.01 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1ssm h ASP 80 Cb 0.56 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1ssm h ASP 80 CO 0.04 0.86 -0.23 0.40 -1.72 0.00 0.00 179.24 178.59 1ssm h ILE 81 N 0.17 0.51 -0.86 0.35 2.04 -0.39 -1.64 117.51 117.69 1ssm h ILE 81 Ca -0.01 -0.24 0.20 0.00 1.00 0.00 0.00 64.86 65.81 1ssm h ILE 81 Cb 1.18 0.62 -0.12 0.00 -0.74 0.00 0.00 36.82 37.76 1ssm h ILE 81 CO 0.10 0.04 0.35 1.56 0.00 0.00 0.00 178.15 180.21 1ssm h GLN 82 N -0.78 0.38 0.40 2.37 1.08 -1.50 -0.32 115.11 116.73 1ssm h GLN 82 Ca -0.06 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1ssm h GLN 82 Cb 0.55 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 1ssm h GLN 82 CO 0.11 0.25 -0.32 0.00 -0.95 0.00 0.00 178.83 177.92 1ssm h ALA 83 N 1.68 -0.73 -0.07 3.87 0.00 -1.04 0.36 119.26 123.33 1ssm h ALA 83 Ca 0.53 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1ssm h ALA 83 Cb 0.96 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1ssm h ALA 83 CO -0.51 -0.94 -0.14 0.28 0.00 0.00 0.00 179.25 177.94 1ssm h VAL 84 N -0.72 0.63 -0.29 0.00 2.07 -0.35 1.25 116.25 118.84 1ssm h VAL 84 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1ssm h VAL 84 Cb 0.63 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1ssm h VAL 84 CO -0.02 0.00 -0.43 -0.09 0.02 0.00 0.00 177.57 177.05 1ssm h ARG 85 N -0.20 -0.39 -0.38 1.57 2.43 -0.76 0.69 114.38 117.33 1ssm h ARG 85 Ca 0.07 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1ssm h ARG 85 Cb 0.30 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1ssm h ARG 85 CO -0.19 -0.26 0.10 0.45 -1.51 0.00 0.00 179.97 178.56 1ssm h HIS 86 N -0.40 0.64 0.00 2.20 -0.00 0.11 -2.92 115.15 114.77 1ssm h HIS 86 Ca 0.11 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1ssm h HIS 86 Cb 0.60 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1ssm h HIS 86 CO -0.57 0.62 0.00 0.54 -0.00 0.00 0.00 177.93 178.52 1ssm n ARG 87 N -4.59 0.17 -3.86 2.45 1.74 0.43 -4.53 116.66 108.47 1ssm n ARG 87 Ca -0.01 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 1ssm n ARG 87 Cb 0.20 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.99 1ssm n ARG 87 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ssm s ASP 88 N -2.81 4.31 0.16 0.55 -1.08 0.23 -4.96 116.67 113.07 1ssm s ASP 88 Ca 0.18 -2.05 0.08 0.00 -0.52 0.00 0.00 52.55 50.25 1ssm s ASP 88 Cb 0.18 -1.25 0.46 0.00 -1.46 0.00 0.00 42.92 40.85 1ssm s ASP 88 CO 0.45 -0.37 1.19 -2.65 0.52 0.00 0.00 175.17 174.31 1ssm n PRO 89 N 4.35 0.06 0.13 4.34 -0.02 -1.26 -0.38 135.00 142.22 1ssm n PRO 89 Ca 0.02 0.50 0.01 0.00 -2.02 0.00 0.00 63.50 62.01 1ssm n PRO 89 Cb 0.40 -1.80 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 1ssm n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ssm h ALA 90 N 1.62 0.74 -2.10 3.55 0.00 -1.93 -3.41 119.26 117.74 1ssm h ALA 90 Ca 0.00 -0.55 -0.75 0.00 0.00 0.00 0.00 54.91 53.61 1ssm h ALA 90 Cb 0.24 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 17.70 1ssm h ALA 90 CO 0.00 0.75 -0.11 0.08 0.00 0.00 0.00 179.25 179.98 1ssm s VAL 91 N -3.21 5.14 -0.07 0.00 1.01 0.49 -4.90 120.40 118.87 1ssm s VAL 91 Ca 0.01 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 1ssm s VAL 91 Cb 0.10 -4.39 -0.27 0.00 0.00 0.00 0.00 36.38 31.82 1ssm s VAL 91 CO 0.75 -0.95 0.57 -0.33 0.00 0.00 0.00 175.10 175.14 1ssm h GLU 92 N 8.88 0.27 -6.44 2.72 4.39 -1.80 -3.43 114.58 119.16 1ssm h GLU 92 Ca -0.26 -0.46 -0.54 0.00 0.34 0.00 0.00 59.36 58.44 1ssm h GLU 92 Cb 1.09 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1ssm h GLU 92 CO 1.03 1.14 0.12 -0.51 -1.16 0.00 0.00 179.01 179.64 1ssm s LEU 93 N -6.99 4.57 0.29 1.33 1.43 -1.26 -4.97 118.68 113.08 1ssm s LEU 93 Ca -0.16 1.54 0.09 0.00 -1.03 0.00 0.00 54.13 54.56 1ssm s LEU 93 Cb 0.06 -3.19 0.41 0.00 0.03 0.00 0.00 46.19 43.51 1ssm s LEU 93 CO 0.81 0.22 1.65 -0.50 0.23 0.00 0.00 176.35 178.77 1ssm h TRP 94 N 4.43 0.13 -0.17 0.29 4.06 -1.92 -3.11 115.95 119.66 1ssm h TRP 94 Ca -0.48 -0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.37 1ssm h TRP 94 Cb 1.21 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 1ssm h TRP 94 CO 0.65 0.61 -0.19 0.66 -3.56 0.00 0.00 178.44 176.62 1ssm h SER 95 N 0.08 0.27 -0.32 -3.49 4.64 -1.89 -3.36 113.55 109.48 1ssm h SER 95 Ca -0.00 -0.07 0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1ssm h SER 95 Cb 0.97 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.91 1ssm h SER 95 CO 0.07 0.48 -0.53 0.74 -0.87 0.00 0.00 176.83 176.73 1ssm h THR 96 N 0.26 0.00 -0.38 2.95 2.02 -1.96 -0.92 112.91 114.88 1ssm h THR 96 Ca 0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 1ssm h THR 96 Cb 0.49 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.81 1ssm h THR 96 CO 0.03 0.00 -0.23 -0.65 0.37 0.00 0.00 175.52 175.04 1ssm h PRO 97 N -0.42 -0.17 -0.41 6.66 0.11 -1.78 0.90 132.00 136.88 1ssm h PRO 97 Ca 0.06 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.26 1ssm h PRO 97 Cb 0.58 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.65 1ssm h PRO 97 CO -0.53 -0.11 -0.13 1.25 -0.21 0.00 0.00 178.00 178.27 1ssm h LEU 98 N -0.17 -0.45 0.21 2.35 5.85 -1.62 -2.29 115.31 119.19 1ssm h LEU 98 Ca 0.18 0.13 -0.32 0.00 0.84 0.00 0.00 57.88 58.72 1ssm h LEU 98 Cb 0.46 0.28 0.02 0.00 0.37 0.00 0.00 40.66 41.80 1ssm h LEU 98 CO -0.48 -0.16 -1.49 -0.07 -0.34 0.00 0.00 178.44 175.90 1ssm h LEU 99 N -0.03 0.70 0.00 2.25 3.38 -0.77 -3.44 115.31 117.40 1ssm h LEU 99 Ca 0.20 -0.93 -0.06 0.00 0.09 0.00 0.00 57.88 57.18 1ssm h LEU 99 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ssm h LEU 99 CO -0.44 1.70 -1.34 -1.22 0.09 0.00 0.00 178.44 177.22 1ssm n TYR 100 N -3.75 0.00 -2.63 1.13 4.02 0.27 -4.99 117.16 111.22 1ssm n TYR 100 Ca -0.20 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.27 1ssm n TYR 100 Cb 1.05 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 40.12 1ssm n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1ssm s LEU 101 N -4.00 3.54 0.66 7.72 1.43 -0.86 -4.90 118.68 122.27 1ssm s LEU 101 Ca -0.03 -0.06 0.35 0.00 -1.03 0.00 0.00 54.13 53.37 1ssm s LEU 101 Cb 0.03 -3.02 1.91 0.00 0.03 0.00 0.00 46.19 45.13 1ssm s LEU 101 CO 0.24 -1.48 2.09 0.07 0.23 0.00 0.00 176.35 177.50 1ssm h LYS 102 N 9.56 0.00 -0.03 1.70 2.10 -1.88 0.67 116.57 128.69 1ssm h LYS 102 Ca -0.26 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.21 1ssm h LYS 102 Cb 1.06 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.40 1ssm h LYS 102 CO 1.18 0.00 -0.70 0.78 -2.00 0.00 0.00 179.45 178.71 1ssm h GLY 103 N 0.00 0.59 1.00 0.07 0.00 -1.80 0.12 103.07 103.06 1ssm h GLY 103 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1ssm h GLY 103 CO -0.00 0.86 0.27 -2.75 0.00 0.00 0.00 176.54 174.93 1ssm h PHE 104 N 0.11 0.52 -0.01 5.60 3.57 -1.11 -0.46 116.94 125.17 1ssm h PHE 104 Ca -0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ssm h PHE 104 Cb 1.38 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1ssm h PHE 104 CO 0.12 0.33 -0.00 0.45 -2.23 0.00 0.00 178.31 176.98 1ssm h HIS 105 N 0.56 -0.00 -0.38 0.41 3.86 -1.22 -1.84 115.15 116.53 1ssm h HIS 105 Ca 0.15 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 1ssm h HIS 105 Cb -0.07 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.35 1ssm h HIS 105 CO -0.05 -0.00 0.05 0.00 0.86 0.00 0.00 177.93 178.79 1ssm h ALA 106 N 1.01 0.39 -0.15 2.45 0.00 -0.32 -1.55 119.26 121.08 1ssm h ALA 106 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ssm h ALA 106 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ssm h ALA 106 CO -0.01 -0.35 -0.01 0.82 0.00 0.00 0.00 179.25 179.70 1ssm h ILE 107 N 0.16 0.88 -0.95 0.00 2.04 -0.72 -0.69 117.51 118.24 1ssm h ILE 107 Ca 0.19 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1ssm h ILE 107 Cb 0.24 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1ssm h ILE 107 CO -0.27 0.01 0.58 1.56 0.00 0.00 0.00 178.15 180.03 1ssm h GLN 108 N 0.04 1.29 -0.49 2.37 1.08 -1.05 -1.73 115.11 116.61 1ssm h GLN 108 Ca 0.07 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1ssm h GLN 108 Cb 0.09 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 1ssm h GLN 108 CO -0.13 0.89 0.18 0.77 -0.95 0.00 0.00 178.83 179.60 1ssm h SER 109 N 1.31 0.69 -0.74 1.46 0.02 -1.07 -2.45 113.55 112.77 1ssm h SER 109 Ca 0.34 -0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 1ssm h SER 109 Cb -0.07 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.23 1ssm h SER 109 CO -0.07 0.68 0.44 0.22 -1.14 0.00 0.00 176.83 176.97 1ssm h TYR 110 N 0.66 0.81 -0.94 3.45 3.20 -0.34 -1.88 116.97 121.92 1ssm h TYR 110 Ca 0.16 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.19 1ssm h TYR 110 Cb 0.22 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.16 1ssm h TYR 110 CO 0.01 0.40 0.60 0.00 -1.64 0.00 0.00 178.16 177.53 1ssm h ARG 111 N 0.81 0.83 -0.34 1.82 3.08 -0.86 0.54 114.38 120.26 1ssm h ARG 111 Ca 0.33 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 1ssm h ARG 111 Cb 0.17 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1ssm h ARG 111 CO -0.17 0.55 0.03 0.82 -1.07 0.00 0.00 179.97 180.13 1ssm h ILE 112 N 0.85 1.25 -0.43 2.04 2.04 -1.23 -1.68 117.51 120.34 1ssm h ILE 112 Ca 0.47 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1ssm h ILE 112 Cb 0.58 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1ssm h ILE 112 CO -0.23 0.29 0.04 0.71 0.00 0.00 0.00 178.15 178.96 1ssm h THR 113 N 0.39 1.22 -0.63 -0.27 1.35 0.23 -1.84 112.91 113.35 1ssm h THR 113 Ca 0.10 -0.84 -0.04 0.00 -0.55 0.00 0.00 66.41 65.09 1ssm h THR 113 Cb 0.39 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 1ssm h THR 113 CO 0.01 0.30 0.25 -0.74 -0.25 0.00 0.00 175.52 175.09 1ssm h HIS 114 N 0.65 0.97 -0.39 4.73 -0.00 0.25 0.16 115.15 121.52 1ssm h HIS 114 Ca 0.14 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1ssm h HIS 114 Cb 0.34 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.44 1ssm h HIS 114 CO 0.02 0.76 0.19 -0.92 -0.00 0.00 0.00 177.93 177.98 1ssm h TYR 115 N 0.89 0.55 -0.05 5.26 3.20 -0.83 -0.79 116.97 125.20 1ssm h TYR 115 Ca 0.21 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1ssm h TYR 115 Cb 0.21 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1ssm h TYR 115 CO 0.01 0.45 0.03 -0.07 -1.64 0.00 0.00 178.16 176.95 1ssm h LEU 116 N 0.49 0.06 -0.55 2.82 3.38 -1.09 -2.28 115.31 118.13 1ssm h LEU 116 Ca 0.13 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1ssm h LEU 116 Cb 0.10 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1ssm h LEU 116 CO -0.02 0.05 0.24 -0.25 0.09 0.00 0.00 178.44 178.55 1ssm h TRP 117 N 0.06 0.44 0.00 1.13 2.91 -0.36 0.16 115.95 120.29 1ssm h TRP 117 Ca 0.02 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1ssm h TRP 117 Cb -0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 1ssm h TRP 117 CO -0.07 0.17 0.00 0.09 -1.03 0.00 0.00 178.44 177.60 1ssm n ASN 118 N -4.93 0.45 -1.06 2.65 3.02 -0.33 -0.80 115.26 114.25 1ssm n ASN 118 Ca 0.06 0.64 0.09 0.00 -0.03 0.00 0.00 54.58 55.34 1ssm n ASN 118 Cb 0.20 -0.73 0.25 0.00 -0.61 0.00 0.00 39.78 38.89 1ssm n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ssm n GLN 119 N -2.03 2.89 -2.26 3.52 1.13 -0.08 -4.95 117.38 115.60 1ssm n GLN 119 Ca 0.01 -2.44 -0.21 0.00 -1.94 0.00 0.00 57.00 52.43 1ssm n GLN 119 Cb 0.15 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.00 1ssm n GLN 119 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ssm n ASN 120 N 1.07 -5.87 -3.83 1.08 5.15 0.01 -4.89 115.26 107.98 1ssm n ASN 120 Ca 0.19 0.08 -0.40 0.00 -0.60 0.00 0.00 54.58 53.84 1ssm n ASN 120 Cb 0.57 -4.94 0.00 0.00 -0.53 0.00 0.00 39.78 34.89 1ssm n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ssm n ARG 121 N -2.91 4.43 0.12 1.20 1.74 -0.46 -4.83 116.66 115.95 1ssm n ARG 121 Ca -0.24 -4.60 -0.02 0.00 -0.77 0.00 0.00 57.85 52.21 1ssm n ARG 121 Cb 0.69 -2.47 0.14 0.00 -1.02 0.00 0.00 32.46 29.80 1ssm n ARG 121 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ssm h LYS 122 N 4.97 0.03 -0.11 5.56 1.57 -1.87 -2.49 116.57 124.24 1ssm h LYS 122 Ca 0.26 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1ssm h LYS 122 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ssm h LYS 122 CO 1.24 0.67 -0.50 0.66 -0.57 0.00 0.00 179.45 180.95 1ssm h SER 123 N 0.02 0.31 0.52 0.86 4.64 -1.97 0.29 113.55 118.21 1ssm h SER 123 Ca -0.01 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 1ssm h SER 123 Cb 1.16 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1ssm h SER 123 CO 0.09 0.76 -0.68 0.25 -0.87 0.00 0.00 176.83 176.37 1ssm h LEU 124 N 0.23 0.17 -0.52 5.97 5.85 -1.96 -0.70 115.31 124.35 1ssm h LEU 124 Ca 0.01 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 1ssm h LEU 124 Cb 0.96 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1ssm h LEU 124 CO 0.08 0.80 -0.01 0.00 -0.34 0.00 0.00 178.44 178.97 1ssm h ALA 125 N 1.20 0.71 -0.25 1.25 0.00 -1.00 -2.27 119.26 118.89 1ssm h ALA 125 Ca -0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1ssm h ALA 125 Cb 1.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ssm h ALA 125 CO 0.10 0.53 -0.47 -0.07 0.00 0.00 0.00 179.25 179.35 1ssm h LEU 126 N 0.80 0.70 0.48 0.00 3.38 -0.69 -0.72 115.31 119.26 1ssm h LEU 126 Ca 0.15 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1ssm h LEU 126 Cb 0.54 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ssm h LEU 126 CO 0.03 1.06 -0.40 0.22 0.09 0.00 0.00 178.44 179.44 1ssm h TYR 127 N 0.52 -1.09 -0.42 1.13 3.20 -0.93 -2.18 116.97 117.21 1ssm h TYR 127 Ca 0.03 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1ssm h TYR 127 Cb 1.01 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 1ssm h TYR 127 CO 0.05 -0.57 0.18 -0.07 -1.64 0.00 0.00 178.16 176.11 1ssm h LEU 128 N -0.87 0.56 -0.57 2.82 3.38 -1.41 -1.12 115.31 118.09 1ssm h LEU 128 Ca -0.05 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 57.87 1ssm h LEU 128 Cb 0.75 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 1ssm h LEU 128 CO -0.02 0.56 -0.35 -0.61 0.09 0.00 0.00 178.44 178.11 1ssm h GLN 129 N 0.53 -0.17 0.00 1.13 4.15 -1.02 0.29 115.11 120.02 1ssm h GLN 129 Ca 0.14 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 1ssm h GLN 129 Cb 0.16 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1ssm h GLN 129 CO -0.01 -0.12 -0.34 -0.91 -1.93 0.00 0.00 178.83 175.52 1ssm h ASN 130 N -0.18 0.00 1.39 -0.69 2.35 -1.14 -1.85 115.58 115.46 1ssm h ASN 130 Ca 0.22 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 1ssm h ASN 130 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1ssm h ASN 130 CO -0.66 0.34 -0.41 -0.61 -1.65 0.00 0.00 177.43 174.44 1ssm h GLN 131 N 0.00 0.00 -0.06 0.81 5.75 -0.13 -1.99 115.11 119.50 1ssm h GLN 131 Ca -0.00 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 1ssm h GLN 131 Cb 0.83 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 1ssm h GLN 131 CO 0.04 0.41 -0.59 0.82 -2.65 0.00 0.00 178.83 176.86 1ssm h ILE 132 N 0.00 1.39 -0.38 2.39 2.04 0.31 -1.44 117.51 121.82 1ssm h ILE 132 Ca -0.00 -1.97 -0.16 0.00 1.00 0.00 0.00 64.86 63.73 1ssm h ILE 132 Cb 1.21 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1ssm h ILE 132 CO 0.05 0.58 -0.39 -1.28 0.00 0.00 0.00 178.15 177.11 1ssm h SER 133 N 0.15 0.99 -0.01 1.72 0.87 -0.91 -1.17 113.55 115.18 1ssm h SER 133 Ca -0.00 -0.46 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ssm h SER 133 Cb 1.08 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1ssm h SER 133 CO 0.09 1.25 -0.00 0.58 -0.53 0.00 0.00 176.83 178.22 1ssm h VAL 134 N 0.76 1.28 -0.11 2.23 2.07 -1.19 -0.74 116.25 120.55 1ssm h VAL 134 Ca 0.06 -0.83 -0.16 0.00 0.82 0.00 0.00 66.70 66.59 1ssm h VAL 134 Cb 0.98 1.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 1ssm h VAL 134 CO 0.10 0.22 -0.54 0.00 0.02 0.00 0.00 177.57 177.36 1ssm h ALA 135 N 0.66 0.22 0.00 1.67 0.00 -1.31 -3.38 119.26 117.12 1ssm h ALA 135 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ssm h ALA 135 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ssm h ALA 135 CO 0.00 0.43 -0.79 1.19 0.00 0.00 0.00 179.25 180.08 1ssm n PHE 136 N -4.19 0.00 -2.21 0.00 0.99 -0.45 -5.00 117.46 106.60 1ssm n PHE 136 Ca -0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.30 1ssm n PHE 136 Cb 0.62 -0.08 -0.00 0.00 -1.00 0.00 0.00 39.48 39.02 1ssm n PHE 136 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1ssm n ASP 137 N -1.44 -2.82 -4.11 4.37 -0.08 -0.28 -4.60 116.55 107.58 1ssm n ASP 137 Ca 0.01 -0.02 -0.28 0.00 -1.51 0.00 0.00 54.79 52.99 1ssm n ASP 137 Cb 0.19 -2.07 -0.17 0.00 2.34 0.00 0.00 41.12 41.41 1ssm n ASP 137 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ssm s VAL 138 N -2.44 1.52 -0.31 5.18 1.01 -1.25 -0.87 120.40 123.24 1ssm s VAL 138 Ca 0.02 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1ssm s VAL 138 Cb -0.01 -1.34 0.08 0.00 0.00 0.00 0.00 36.38 35.12 1ssm s VAL 138 CO 0.03 0.44 -0.01 -0.62 0.00 0.00 0.00 175.10 174.93 1ssm s ASP 139 N 0.44 4.65 -0.20 3.32 3.68 0.34 -2.91 116.67 126.00 1ssm s ASP 139 Ca -0.14 -1.81 -0.02 0.00 2.13 0.00 0.00 52.55 52.70 1ssm s ASP 139 Cb -0.16 -1.61 0.00 0.00 -1.45 0.00 0.00 42.92 39.71 1ssm s ASP 139 CO 0.05 -0.30 -0.10 -0.63 0.13 0.00 0.00 175.17 174.32 1ssm s ILE 140 N 1.00 2.93 0.31 4.11 1.01 -1.26 -0.81 121.20 128.49 1ssm s ILE 140 Ca 0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 1ssm s ILE 140 Cb -0.20 -2.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.87 1ssm s ILE 140 CO -0.06 0.47 1.33 -2.28 0.00 0.00 0.00 174.94 174.39 1ssm s HIS 141 N 1.32 3.06 0.52 3.97 5.65 -0.84 -4.88 115.29 124.09 1ssm s HIS 141 Ca 0.04 1.35 0.24 0.00 0.25 0.00 0.00 55.06 56.93 1ssm s HIS 141 Cb -0.14 -3.69 1.36 0.00 -1.18 0.00 0.00 32.58 28.93 1ssm s HIS 141 CO -0.05 -1.97 2.01 -1.35 -0.65 0.00 0.00 174.74 172.72 1ssm h PRO 142 N 3.76 0.03 0.00 2.88 0.11 -1.89 -1.26 132.00 135.63 1ssm h PRO 142 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ssm h PRO 142 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ssm h PRO 142 CO 0.68 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 1ssm h ALA 143 N 1.76 1.00 -2.26 -0.75 0.00 -1.90 -3.37 119.26 113.73 1ssm h ALA 143 Ca 0.23 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.55 1ssm h ALA 143 Cb 0.89 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.83 1ssm h ALA 143 CO -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.95 1ssm n ALA 144 N -1.99 -1.06 -3.62 0.00 0.00 -0.48 -4.83 120.51 108.53 1ssm n ALA 144 Ca 0.03 0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1ssm n ALA 144 Cb 0.38 -1.85 -0.13 0.00 0.00 0.00 0.00 19.45 17.85 1ssm n ALA 144 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ssm s LYS 145 N -1.84 2.30 -0.15 0.00 1.02 -0.75 -5.01 119.74 115.31 1ssm s LYS 145 Ca 0.65 -1.46 0.01 0.00 0.02 0.00 0.00 55.97 55.19 1ssm s LYS 145 Cb -0.54 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.39 1ssm s LYS 145 CO 0.56 -0.80 -0.18 0.42 -0.92 0.00 0.00 175.35 174.43 1ssm s ILE 146 N 1.23 2.35 0.00 2.17 1.01 -1.26 -0.81 121.20 125.89 1ssm s ILE 146 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ssm s ILE 146 Cb -0.21 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1ssm s ILE 146 CO -0.02 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1ssm n GLY 147 N 4.16 -0.38 3.55 6.18 0.00 0.10 -4.99 105.19 113.80 1ssm n GLY 147 Ca -0.20 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1ssm n GLY 147 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ssm s HIS 148 N 0.00 1.92 -0.39 1.61 -3.43 -1.26 -4.72 115.29 109.01 1ssm s HIS 148 Ca 0.00 -1.07 0.00 0.00 -0.80 0.00 0.00 55.06 53.19 1ssm s HIS 148 Cb 0.00 -1.33 0.00 0.00 -1.43 0.00 0.00 32.58 29.82 1ssm s HIS 148 CO 0.00 -0.04 0.00 0.41 -2.00 0.00 0.00 174.74 173.11 1ssm n GLY 149 N -0.91 0.43 0.00 -1.38 0.00 -1.25 -0.58 105.19 101.49 1ssm n GLY 149 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1ssm n GLY 149 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ssm n ILE 150 N -3.49 0.00 -3.09 -0.61 2.08 -1.26 -3.35 119.36 109.63 1ssm n ILE 150 Ca -0.05 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.31 1ssm n ILE 150 Cb 0.35 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 1ssm n ILE 150 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1ssm s PHE 152 N -0.10 -0.75 -0.24 1.39 2.99 -1.26 -4.67 117.98 115.34 1ssm s PHE 152 Ca 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 56.93 57.06 1ssm s PHE 152 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 43.02 43.14 1ssm s PHE 152 CO 0.00 -0.45 0.80 0.34 -0.00 0.00 0.00 175.22 175.91 1ssm s ASP 153 N 2.72 6.80 0.00 1.36 2.15 -0.34 -4.11 116.67 125.26 1ssm s ASP 153 Ca 0.22 1.00 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1ssm s ASP 153 Cb -0.02 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1ssm s ASP 153 CO -0.21 -0.49 0.00 1.41 -0.17 0.00 0.00 175.17 175.71 1ssm n HIS 154 N 5.93 0.00 0.00 -5.34 8.25 -1.26 -2.98 115.22 119.82 1ssm n HIS 154 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1ssm n HIS 154 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1ssm n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ssm n ALA 155 N 0.00 0.00 -1.59 -1.41 0.00 -1.26 -4.54 120.51 111.71 1ssm n ALA 155 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 1ssm n ALA 155 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ssm n ALA 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ssm n THR 156 N 0.00 0.03 -0.79 0.00 -1.04 -1.26 -1.84 114.28 109.37 1ssm n THR 156 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ssm n THR 156 Cb 0.00 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1ssm n THR 156 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssm n GLY 157 N 2.54 0.74 3.69 3.41 0.00 -0.05 0.66 105.19 116.19 1ssm n GLY 157 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1ssm n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ssm s ILE 158 N -2.75 4.27 -0.08 -0.61 1.01 -0.77 -4.11 121.20 118.16 1ssm s ILE 158 Ca 0.00 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.28 1ssm s ILE 158 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.45 1ssm s ILE 158 CO 0.00 0.03 -0.15 -0.69 0.00 0.00 0.00 174.94 174.13 1ssm s VAL 159 N 1.91 1.38 -0.12 2.92 1.01 -0.60 -0.50 120.40 126.40 1ssm s VAL 159 Ca 0.56 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1ssm s VAL 159 Cb -0.25 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1ssm s VAL 159 CO 0.24 0.41 -0.16 -0.69 0.00 0.00 0.00 175.10 174.90 1ssm s VAL 160 N 0.74 1.57 0.62 2.92 1.01 0.01 -0.65 120.40 126.63 1ssm s VAL 160 Ca -0.12 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1ssm s VAL 160 Cb -0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1ssm s VAL 160 CO 0.03 0.46 1.04 -0.83 0.00 0.00 0.00 175.10 175.79 1ssm s GLY 161 N 1.01 1.86 0.33 4.51 0.00 0.16 -1.99 107.32 113.20 1ssm s GLY 161 Ca -0.06 0.16 0.13 0.00 0.00 0.00 0.00 44.72 44.95 1ssm s GLY 161 CO -0.02 0.46 1.65 -2.09 0.00 0.00 0.00 173.10 173.09 1ssm h GLU 162 N -0.06 0.27 -0.39 2.90 4.81 -1.89 -1.65 114.58 118.57 1ssm h GLU 162 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ssm h GLU 162 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1ssm h GLU 162 CO 0.59 0.18 0.00 0.25 -0.73 0.00 0.00 179.01 179.29 1ssm n THR 163 N -5.10 2.34 -1.92 0.32 -2.24 -1.26 -2.88 114.28 103.54 1ssm n THR 163 Ca 0.30 -1.65 -0.32 0.00 -2.27 0.00 0.00 64.05 60.11 1ssm n THR 163 Cb 0.96 -0.20 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1ssm n THR 163 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ssm s SER 164 N -1.47 5.67 -0.01 3.42 0.01 -0.62 -4.50 113.70 116.19 1ssm s SER 164 Ca 0.46 1.77 0.03 0.00 1.31 0.00 0.00 55.95 59.52 1ssm s SER 164 Cb 0.35 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 1ssm s SER 164 CO 0.12 -1.25 -0.11 -0.69 0.41 0.00 0.00 173.24 171.73 1ssm s VAL 165 N -2.59 0.87 -0.14 3.43 1.01 -0.52 -1.81 120.40 120.66 1ssm s VAL 165 Ca 0.62 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1ssm s VAL 165 Cb -0.16 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.53 1ssm s VAL 165 CO 0.41 0.25 0.02 -0.63 0.00 0.00 0.00 175.10 175.15 1ssm s ILE 166 N -0.14 0.46 0.56 2.22 1.01 0.01 -0.60 121.20 124.71 1ssm s ILE 166 Ca 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 1ssm s ILE 166 Cb -0.06 -0.81 0.12 0.00 0.01 0.00 0.00 42.46 41.73 1ssm s ILE 166 CO -0.00 0.00 0.76 -0.62 0.00 0.00 0.00 174.94 175.08 1ssm n GLU 167 N 5.10 -0.32 -0.57 2.79 1.02 0.04 0.02 120.64 128.72 1ssm n GLU 167 Ca -0.08 -1.60 -0.30 0.00 -0.02 0.00 0.00 57.16 55.15 1ssm n GLU 167 Cb 0.48 -0.65 0.22 0.00 -0.02 0.00 0.00 31.44 31.47 1ssm n GLU 167 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ssm n ASN 168 N -3.22 -1.75 -2.02 1.62 3.02 -1.26 -3.70 115.26 107.95 1ssm n ASN 168 Ca 0.11 -0.06 -0.06 0.00 -0.03 0.00 0.00 54.58 54.54 1ssm n ASN 168 Cb 0.39 -1.19 -0.01 0.00 -0.61 0.00 0.00 39.78 38.36 1ssm n ASN 168 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ssm n ASP 169 N -3.70 -2.08 -4.85 6.41 8.00 0.25 -2.65 116.55 117.93 1ssm n ASP 169 Ca 0.03 0.28 -0.32 0.00 0.71 0.00 0.00 54.79 55.50 1ssm n ASP 169 Cb 0.56 -1.96 -0.05 0.00 -0.02 0.00 0.00 41.12 39.65 1ssm n ASP 169 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ssm s VAL 170 N -2.01 4.63 -0.11 2.53 1.01 -1.24 -3.62 120.40 121.58 1ssm s VAL 170 Ca 0.00 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 1ssm s VAL 170 Cb 0.00 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1ssm s VAL 170 CO 0.00 -0.33 -0.06 -0.44 0.00 0.00 0.00 175.10 174.28 1ssm s SER 171 N -2.52 2.14 -0.09 3.32 0.01 -0.12 -4.41 113.70 112.04 1ssm s SER 171 Ca 0.55 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.54 1ssm s SER 171 Cb -0.10 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.37 1ssm s SER 171 CO 0.21 -0.15 -0.22 -0.63 0.41 0.00 0.00 173.24 172.87 1ssm s ILE 172 N 1.76 1.88 0.63 1.44 1.01 -1.26 0.34 121.20 127.00 1ssm s ILE 172 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1ssm s ILE 172 Cb -0.13 -1.63 0.08 0.00 0.01 0.00 0.00 42.46 40.79 1ssm s ILE 172 CO -0.08 0.52 0.88 -0.76 0.00 0.00 0.00 174.94 175.50 1ssm s LEU 173 N 0.40 3.12 0.88 2.97 1.43 -0.89 -1.20 118.68 125.39 1ssm s LEU 173 Ca -0.18 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 1ssm s LEU 173 Cb -0.18 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.63 1ssm s LEU 173 CO 0.08 -1.48 0.51 0.00 0.23 0.00 0.00 176.35 175.69 1ssm n GLN 174 N -2.57 -0.09 -0.84 1.70 0.00 -1.16 -3.42 117.38 111.00 1ssm n GLN 174 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.14 1ssm n GLN 174 Cb 0.60 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.94 1ssm n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ssm n GLY 175 N 1.45 0.25 3.86 2.61 0.00 0.21 -0.24 105.19 113.34 1ssm n GLY 175 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1ssm n GLY 175 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ssm s VAL 176 N -1.66 4.93 -0.06 1.61 -7.23 -1.22 -3.75 120.40 113.01 1ssm s VAL 176 Ca 0.00 0.59 0.06 0.00 -1.81 0.00 0.00 61.98 60.83 1ssm s VAL 176 Cb 0.00 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1ssm s VAL 176 CO 0.00 0.09 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.74 1ssm s THR 177 N -1.64 2.09 -0.44 5.32 2.01 -0.29 -1.56 115.64 121.14 1ssm s THR 177 Ca 0.42 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 1ssm s THR 177 Cb -0.13 -1.75 0.12 0.00 0.01 0.00 0.00 72.50 70.74 1ssm s THR 177 CO 0.20 0.57 0.21 -0.76 -0.69 0.00 0.00 174.62 174.15 1ssm s LEU 178 N -0.18 5.06 0.00 4.42 1.43 0.18 -1.19 118.68 128.40 1ssm s LEU 178 Ca -0.03 -2.27 0.00 0.00 -1.03 0.00 0.00 54.13 50.80 1ssm s LEU 178 Cb -0.14 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1ssm s LEU 178 CO 0.04 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.77 1ssm n GLY 179 N 4.22 5.60 3.68 -3.19 0.00 -0.44 -0.66 105.19 114.40 1ssm n GLY 179 Ca 0.01 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1ssm n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ssm s GLY 180 N 0.00 2.70 -0.04 -0.02 0.00 -1.26 -0.65 107.32 108.05 1ssm s GLY 180 Ca 0.00 -1.57 0.15 0.00 0.00 0.00 0.00 44.72 43.30 1ssm s GLY 180 CO 0.00 -2.13 0.61 -1.30 0.00 0.00 0.00 173.10 170.28 1ssm n THR 181 N -1.09 1.40 0.00 0.90 -2.24 -1.26 -4.60 114.28 107.38 1ssm n THR 181 Ca -0.10 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1ssm n THR 181 Cb 0.67 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1ssm n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ssm n GLY 182 N 1.53 -0.97 3.71 3.38 0.00 -1.26 -5.09 105.19 106.49 1ssm n GLY 182 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1ssm n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssm s LYS 183 N 0.00 4.16 0.41 1.61 3.01 -1.26 -4.81 119.74 122.86 1ssm s LYS 183 Ca 0.00 2.51 0.24 0.00 -1.01 0.00 0.00 55.97 57.70 1ssm s LYS 183 Cb 0.00 -3.25 0.42 0.00 -1.01 0.00 0.00 37.83 33.99 1ssm s LYS 183 CO 0.00 -0.73 1.64 0.93 0.51 0.00 0.00 175.35 177.70 1ssm h GLU 184 N 7.29 0.00 -4.91 1.68 4.39 -2.02 -3.47 114.58 117.54 1ssm h GLU 184 Ca -0.43 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.80 1ssm h GLU 184 Cb 1.20 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.72 1ssm h GLU 184 CO 0.94 0.00 -0.52 -1.54 -1.16 0.00 0.00 179.01 176.73 1ssm s SER 185 N -5.99 1.83 0.00 1.42 1.04 -1.26 -5.12 113.70 105.62 1ssm s SER 185 Ca 0.07 -1.68 0.00 0.00 0.48 0.00 0.00 55.95 54.82 1ssm s SER 185 Cb 0.06 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1ssm s SER 185 CO 0.66 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1ssm n GLY 186 N -0.66 -1.35 3.57 7.32 0.00 -1.26 -4.67 105.19 108.13 1ssm n GLY 186 Ca 0.03 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1ssm n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ssm s ASP 187 N -4.00 6.40 0.00 1.61 -1.08 -1.26 -4.83 116.67 113.51 1ssm s ASP 187 Ca 0.00 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 1ssm s ASP 187 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1ssm s ASP 187 CO 0.00 -1.47 0.92 -2.11 0.52 0.00 0.00 175.17 173.03 1ssm n ARG 188 N 8.34 0.00 -4.35 4.34 1.85 -1.26 -4.62 116.66 120.96 1ssm n ARG 188 Ca 0.07 -0.84 -0.23 0.00 -1.00 0.00 0.00 57.85 55.85 1ssm n ARG 188 Cb 0.49 -0.43 -0.11 0.00 -1.05 0.00 0.00 32.46 31.36 1ssm n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ssm s HIS 189 N 0.00 1.91 0.97 2.89 3.76 -1.25 -2.75 115.29 120.81 1ssm s HIS 189 Ca 0.00 -0.45 -0.14 0.00 -0.15 0.00 0.00 55.06 54.32 1ssm s HIS 189 Cb 0.00 -0.94 0.03 0.00 1.11 0.00 0.00 32.58 32.77 1ssm s HIS 189 CO 0.00 0.37 0.26 -2.30 -0.85 0.00 0.00 174.74 172.22 1ssm n PRO 190 N 0.25 -0.39 -3.90 8.40 -0.02 -0.39 -4.01 135.00 134.94 1ssm n PRO 190 Ca -0.13 -0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 60.97 1ssm n PRO 190 Cb 0.57 -1.77 -0.15 0.00 -0.02 0.00 0.00 33.50 32.14 1ssm n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ssm s LYS 191 N -3.48 1.37 -0.37 -0.52 3.01 -0.90 -1.44 119.74 117.41 1ssm s LYS 191 Ca 0.55 -1.86 -0.15 0.00 -1.01 0.00 0.00 55.97 53.50 1ssm s LYS 191 Cb -0.20 -2.83 0.00 0.00 -1.01 0.00 0.00 37.83 33.80 1ssm s LYS 191 CO 0.69 -1.01 0.34 0.08 0.51 0.00 0.00 175.35 175.95 1ssm s VAL 192 N 0.76 5.20 0.69 3.17 1.01 0.23 0.10 120.40 131.56 1ssm s VAL 192 Ca 0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1ssm s VAL 192 Cb -0.21 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1ssm s VAL 192 CO -0.09 -0.19 1.02 -0.13 0.00 0.00 0.00 175.10 175.71 1ssm s ARG 193 N 1.91 2.44 0.57 2.72 1.81 -0.75 -0.78 118.95 126.87 1ssm s ARG 193 Ca 0.09 -0.05 -0.18 0.00 -1.72 0.00 0.00 55.73 53.87 1ssm s ARG 193 Cb -0.17 -2.15 -0.08 0.00 -0.45 0.00 0.00 34.95 32.10 1ssm s ARG 193 CO 0.11 -1.12 0.66 -0.85 -0.68 0.00 0.00 175.30 173.42 1ssm n GLU 194 N -2.90 0.63 -0.73 3.54 0.28 -1.26 -3.07 120.64 117.13 1ssm n GLU 194 Ca 0.07 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1ssm n GLU 194 Cb 0.59 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.63 1ssm n GLU 194 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ssm n GLY 195 N 1.63 0.36 0.00 -1.84 0.00 -1.08 0.10 105.19 104.37 1ssm n GLY 195 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1ssm n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ssm n VAL 196 N -2.05 0.00 -3.44 1.61 0.31 -1.17 -3.90 118.33 109.69 1ssm n VAL 196 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1ssm n VAL 196 Cb 0.04 -0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 1ssm n VAL 196 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ssm s ILE 198 N -0.69 -0.34 0.70 2.52 1.01 0.15 -0.95 121.20 123.61 1ssm s ILE 198 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.50 1ssm s ILE 198 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.49 1ssm s ILE 198 CO 0.00 0.00 1.16 -0.83 0.00 0.00 0.00 174.94 175.27 1ssm s GLY 199 N 2.14 2.23 0.06 6.18 0.00 0.70 -2.10 107.32 116.52 1ssm s GLY 199 Ca -0.04 0.70 -0.36 0.00 0.00 0.00 0.00 44.72 45.03 1ssm s GLY 199 CO -0.17 1.09 1.47 0.00 0.00 0.00 0.00 173.10 175.49 1ssm n ALA 200 N -2.63 -0.17 -0.95 3.20 0.00 -1.26 -2.05 120.51 116.65 1ssm n ALA 200 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1ssm n ALA 200 Cb 0.51 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1ssm n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ssm n GLY 201 N 3.03 0.75 3.77 0.00 0.00 0.67 -1.19 105.19 112.21 1ssm n GLY 201 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1ssm n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssm s ALA 202 N -3.13 3.12 -0.28 4.61 0.00 -0.87 -3.92 121.76 121.29 1ssm s ALA 202 Ca 0.00 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1ssm s ALA 202 Cb 0.00 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.73 1ssm s ALA 202 CO 0.00 -0.82 -0.08 0.15 0.00 0.00 0.00 175.76 175.02 1ssm s LYS 203 N -2.44 2.19 -0.30 0.00 -0.14 -0.14 -1.13 119.74 117.76 1ssm s LYS 203 Ca 0.60 -1.40 -0.05 0.00 -1.36 0.00 0.00 55.97 53.76 1ssm s LYS 203 Cb -0.35 -2.97 0.02 0.00 -1.68 0.00 0.00 37.83 32.85 1ssm s LYS 203 CO 0.44 -0.62 0.06 0.42 -0.76 0.00 0.00 175.35 174.89 1ssm s ILE 204 N 1.10 3.66 0.01 2.17 1.01 -0.33 -0.47 121.20 128.34 1ssm s ILE 204 Ca -0.06 -0.94 0.09 0.00 0.00 0.00 0.00 60.65 59.74 1ssm s ILE 204 Cb -0.20 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1ssm s ILE 204 CO -0.05 0.00 -0.26 -0.76 0.00 0.00 0.00 174.94 173.87 1ssm s LEU 205 N 1.42 2.10 0.00 2.97 1.43 -0.53 -1.33 118.68 124.75 1ssm s LEU 205 Ca 0.00 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1ssm s LEU 205 Cb -0.18 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.73 1ssm s LEU 205 CO 0.01 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1ssm n GLY 206 N 2.15 2.37 2.80 -3.19 0.00 0.18 -4.52 105.19 104.97 1ssm n GLY 206 Ca -0.16 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1ssm n GLY 206 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ssm n ASN 207 N 0.00 3.67 -4.52 1.61 5.15 -1.11 -1.27 115.26 118.80 1ssm n ASN 207 Ca 0.00 -2.80 -0.27 0.00 -0.60 0.00 0.00 54.58 50.91 1ssm n ASN 207 Cb 0.00 -1.55 -0.10 0.00 -0.53 0.00 0.00 39.78 37.60 1ssm n ASN 207 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1ssm s ILE 208 N 3.54 2.88 -0.02 -1.44 -4.36 -1.26 -4.90 121.20 115.64 1ssm s ILE 208 Ca 0.49 -1.81 -0.24 0.00 -0.26 0.00 0.00 60.65 58.84 1ssm s ILE 208 Cb 0.14 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1ssm s ILE 208 CO -0.05 -0.12 0.72 -1.61 0.24 0.00 0.00 174.94 174.12 1ssm s GLU 209 N -2.79 4.45 -0.28 0.37 0.41 -1.26 -2.13 118.70 117.47 1ssm s GLU 209 Ca 0.24 0.95 -0.06 0.00 -0.41 0.00 0.00 54.97 55.69 1ssm s GLU 209 Cb -0.08 -3.41 0.01 0.00 -1.78 0.00 0.00 34.13 28.87 1ssm s GLU 209 CO 0.13 0.17 0.04 0.08 -0.49 0.00 0.00 175.26 175.19 1ssm s VAL 210 N 0.42 3.75 0.48 2.63 1.01 0.12 -1.76 120.40 127.05 1ssm s VAL 210 Ca 0.38 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 1ssm s VAL 210 Cb -0.19 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1ssm s VAL 210 CO 0.20 0.16 1.28 -0.83 0.00 0.00 0.00 175.10 175.91 1ssm s GLY 211 N 1.48 2.86 0.40 4.51 0.00 0.77 -1.80 107.32 115.54 1ssm s GLY 211 Ca 0.03 1.18 -0.23 0.00 0.00 0.00 0.00 44.72 45.70 1ssm s GLY 211 CO 0.01 1.70 0.61 0.28 0.00 0.00 0.00 173.10 175.70 1ssm n LYS 212 N -0.53 0.65 -0.68 2.90 5.02 -1.26 -1.18 118.16 123.08 1ssm n LYS 212 Ca 0.07 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1ssm n LYS 212 Cb 0.46 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1ssm n LYS 212 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ssm n TYR 213 N -0.72 0.00 -1.40 2.13 4.02 0.12 -0.90 117.16 120.40 1ssm n TYR 213 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.69 1ssm n TYR 213 Cb 0.38 -1.56 0.08 0.00 -0.02 0.00 0.00 39.34 38.23 1ssm n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ssm s ALA 214 N -0.75 2.28 -0.08 -0.72 0.00 -0.33 -4.18 121.76 117.98 1ssm s ALA 214 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.40 1ssm s ALA 214 Cb 0.00 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 1ssm s ALA 214 CO 0.00 -1.66 -0.23 0.15 0.00 0.00 0.00 175.76 174.02 1ssm s LYS 215 N -4.59 2.64 -0.18 0.00 1.02 0.11 -4.46 119.74 114.28 1ssm s LYS 215 Ca 0.64 -0.82 -0.03 0.00 0.02 0.00 0.00 55.97 55.78 1ssm s LYS 215 Cb -0.19 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1ssm s LYS 215 CO 0.51 0.24 -0.07 0.42 -0.92 0.00 0.00 175.35 175.53 1ssm s ILE 216 N 0.17 3.36 0.45 2.17 -1.09 -1.26 -0.20 121.20 124.80 1ssm s ILE 216 Ca -0.12 -0.53 -0.21 0.00 -2.23 0.00 0.00 60.65 57.57 1ssm s ILE 216 Cb -0.16 -2.48 -0.10 0.00 -1.58 0.00 0.00 42.46 38.14 1ssm s ILE 216 CO 0.06 0.47 0.97 -0.83 -1.23 0.00 0.00 174.94 174.38 1ssm s GLY 217 N 0.87 2.40 0.27 6.18 0.00 -0.07 -0.22 107.32 116.75 1ssm s GLY 217 Ca -0.02 0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.86 1ssm s GLY 217 CO 0.01 0.72 0.77 0.00 0.00 0.00 0.00 173.10 174.59 1ssm n ALA 218 N -0.75 -1.39 -1.08 3.20 0.00 -1.26 -1.66 120.51 117.57 1ssm n ALA 218 Ca 0.07 0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.82 1ssm n ALA 218 Cb 0.54 -1.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 1ssm n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ssm n ASN 219 N 1.53 -3.87 -4.77 0.00 4.13 -0.34 -4.81 115.26 107.14 1ssm n ASN 219 Ca 0.13 0.19 -0.37 0.00 1.68 0.00 0.00 54.58 56.21 1ssm n ASN 219 Cb 0.30 -3.03 -0.03 0.00 -1.54 0.00 0.00 39.78 35.48 1ssm n ASN 219 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1ssm s SER 220 N -1.82 6.67 -0.33 6.41 0.01 -0.66 -4.76 113.70 119.23 1ssm s SER 220 Ca 0.00 2.18 -0.08 0.00 1.31 0.00 0.00 55.95 59.36 1ssm s SER 220 Cb 0.00 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1ssm s SER 220 CO 0.00 -0.56 0.12 -0.69 0.41 0.00 0.00 173.24 172.52 1ssm s VAL 221 N -1.52 4.03 -0.35 3.43 1.01 -0.98 -0.97 120.40 125.04 1ssm s VAL 221 Ca 0.57 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 1ssm s VAL 221 Cb -0.26 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 1ssm s VAL 221 CO 0.33 -0.09 0.23 -0.69 0.00 0.00 0.00 175.10 174.88 1ssm s VAL 222 N 1.47 5.08 -0.23 2.92 1.01 0.38 -0.35 120.40 130.68 1ssm s VAL 222 Ca 0.01 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1ssm s VAL 222 Cb -0.19 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ssm s VAL 222 CO 0.04 -0.08 0.40 0.18 0.00 0.00 0.00 175.10 175.64 1ssm n LEU 223 N 5.08 0.81 -4.20 3.92 4.77 -1.26 -1.45 117.00 124.67 1ssm n LEU 223 Ca -0.12 -0.82 -0.23 0.00 -0.03 0.00 0.00 56.01 54.81 1ssm n LEU 223 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1ssm n LEU 223 CO 0.37 0.19 -0.49 0.20 -1.33 0.00 0.00 177.39 176.32 1ssm s ASN 224 N -0.56 2.09 0.26 -1.43 0.01 -1.26 -4.98 114.94 109.08 1ssm s ASN 224 Ca 0.02 -0.50 -0.29 0.00 -0.71 0.00 0.00 52.86 51.38 1ssm s ASN 224 Cb 0.02 -0.16 -0.14 0.00 0.41 0.00 0.00 41.25 41.38 1ssm s ASN 224 CO 0.05 0.10 1.10 -2.65 -1.51 0.00 0.00 177.10 174.19 1ssm n PRO 225 N 1.83 1.44 -4.18 -0.60 -0.02 -1.26 -4.94 135.00 127.26 1ssm n PRO 225 Ca -0.18 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 1ssm n PRO 225 Cb 0.54 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1ssm n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ssm s VAL 226 N -0.79 3.38 0.72 -1.45 1.01 -0.72 -5.01 120.40 117.55 1ssm s VAL 226 Ca 0.62 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1ssm s VAL 226 Cb -0.72 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1ssm s VAL 226 CO 0.58 0.46 1.21 -2.84 0.00 0.00 0.00 175.10 174.50 1ssm s PRO 227 N 1.04 2.23 0.87 2.72 0.02 -1.26 -0.16 135.00 140.46 1ssm s PRO 227 Ca 0.00 1.78 -0.13 0.00 0.02 0.00 0.00 61.00 62.67 1ssm s PRO 227 Cb -0.15 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.60 1ssm s PRO 227 CO -0.00 -1.77 0.83 0.39 -0.33 0.00 0.00 177.00 176.12 1ssm n GLU 228 N -2.59 -0.12 -0.19 5.54 1.02 -1.26 -1.81 120.64 121.22 1ssm n GLU 228 Ca 0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1ssm n GLU 228 Cb 0.50 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1ssm n GLU 228 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ssm n TYR 229 N -3.52 0.00 -2.01 -0.32 4.02 -0.08 -4.85 117.16 110.41 1ssm n TYR 229 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.69 1ssm n TYR 229 Cb 0.52 -1.02 0.02 0.00 -0.02 0.00 0.00 39.34 38.84 1ssm n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ssm s ALA 230 N -0.66 3.09 -0.15 -0.72 0.00 -0.75 -4.73 121.76 117.84 1ssm s ALA 230 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1ssm s ALA 230 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1ssm s ALA 230 CO 0.00 -0.79 -0.14 0.99 0.00 0.00 0.00 175.76 175.82 1ssm s THR 231 N -3.16 2.77 -0.06 0.00 2.01 -1.26 0.04 115.64 115.98 1ssm s THR 231 Ca 0.55 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1ssm s THR 231 Cb -0.11 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1ssm s THR 231 CO 0.51 0.51 -0.19 0.00 -0.69 0.00 0.00 174.62 174.77 1ssm s ALA 232 N 0.71 2.42 0.10 7.40 0.00 0.72 -0.37 121.76 132.75 1ssm s ALA 232 Ca -0.07 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 1ssm s ALA 232 Cb -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1ssm s ALA 232 CO 0.02 0.44 0.40 0.00 0.00 0.00 0.00 175.76 176.62 1ssm s ALA 233 N -0.30 -0.95 0.00 0.00 0.00 -0.76 -0.89 121.76 118.85 1ssm s ALA 233 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1ssm s ALA 233 Cb -0.13 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1ssm s ALA 233 CO 0.03 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1ssm n GLY 234 N 0.02 1.48 2.72 0.00 0.00 -1.26 -1.18 105.19 106.97 1ssm n GLY 234 Ca -0.17 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 1ssm n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ssm s VAL 235 N -1.79 0.80 1.18 1.61 1.01 -1.26 -2.33 120.40 119.63 1ssm s VAL 235 Ca 0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 1ssm s VAL 235 Cb 0.00 -1.59 0.28 0.00 0.00 0.00 0.00 36.38 35.06 1ssm s VAL 235 CO 0.00 -0.65 1.11 -2.84 0.00 0.00 0.00 175.10 172.71 1ssm s PRO 236 N 1.66 -1.08 0.40 2.72 0.02 -1.26 -5.01 135.00 132.45 1ssm s PRO 236 Ca 0.09 -0.00 -0.21 0.00 0.02 0.00 0.00 61.00 60.90 1ssm s PRO 236 Cb -0.17 -1.61 -0.11 0.00 0.02 0.00 0.00 34.50 32.64 1ssm s PRO 236 CO -0.25 -3.63 0.92 0.00 -0.33 0.00 0.00 177.00 173.71 1ssm s ALA 237 N -2.99 3.10 0.06 -1.55 0.00 0.53 -4.81 121.76 116.10 1ssm s ALA 237 Ca 0.70 0.37 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1ssm s ALA 237 Cb -0.11 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1ssm s ALA 237 CO 0.56 0.16 -0.06 1.03 0.00 0.00 0.00 175.76 177.46 1ssm s ARG 238 N -2.99 0.60 -0.32 0.00 1.81 -0.32 -4.87 118.95 112.86 1ssm s ARG 238 Ca 0.59 -0.99 -0.29 0.00 -1.72 0.00 0.00 55.73 53.33 1ssm s ARG 238 Cb -0.10 -0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.27 1ssm s ARG 238 CO 0.15 -0.01 1.41 0.42 -0.68 0.00 0.00 175.30 176.59 1ssm s ILE 239 N -2.48 3.96 -2.93 1.52 -1.09 -1.26 -1.83 121.20 117.09 1ssm s ILE 239 Ca -0.02 1.05 0.25 0.00 -2.23 0.00 0.00 60.65 59.70 1ssm s ILE 239 Cb -0.02 -4.08 0.24 0.00 -1.58 0.00 0.00 42.46 37.02 1ssm s ILE 239 CO -0.03 -0.53 1.33 1.33 -1.23 0.00 0.00 174.94 175.81