#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 0.36 -0.10 -4.42 3.38 -2.01 -1.72 115.31 110.80 1ssm h LEU 3 Ca 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1ssm h LEU 3 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ssm h LEU 3 CO 0.00 0.31 -0.38 0.44 0.09 0.00 0.00 178.44 178.90 1ssm h ASP 4 N 0.42 0.51 -0.65 -0.43 3.32 -2.05 -2.17 116.42 115.38 1ssm h ASP 4 Ca 0.11 -0.62 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1ssm h ASP 4 Cb 0.04 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1ssm h ASP 4 CO -0.02 1.05 0.42 0.58 -1.72 0.00 0.00 179.24 179.55 1ssm h VAL 5 N 0.01 1.14 -0.86 -1.35 2.07 -1.95 -2.14 116.25 113.17 1ssm h VAL 5 Ca -0.02 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1ssm h VAL 5 Cb 1.01 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1ssm h VAL 5 CO 0.08 0.15 0.54 -0.25 0.02 0.00 0.00 177.57 178.11 1ssm h TRP 6 N 0.85 1.12 -0.56 1.57 2.91 -1.27 0.20 115.95 120.78 1ssm h TRP 6 Ca 0.24 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.16 1ssm h TRP 6 Cb -0.06 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 28.20 1ssm h TRP 6 CO -0.03 0.73 -0.10 1.96 -1.03 0.00 0.00 178.44 179.97 1ssm h GLN 7 N 1.18 1.05 -0.66 2.65 1.08 -1.06 0.13 115.11 119.48 1ssm h GLN 7 Ca 0.31 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 57.07 1ssm h GLN 7 Cb -0.08 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1ssm h GLN 7 CO -0.06 1.08 0.20 0.45 -0.95 0.00 0.00 178.83 179.55 1ssm h HIS 8 N 0.93 1.05 -0.01 2.96 3.86 -1.04 0.18 115.15 123.08 1ssm h HIS 8 Ca 0.14 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ssm h HIS 8 Cb 0.68 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 1ssm h HIS 8 CO 0.05 0.84 0.00 0.82 0.86 0.00 0.00 177.93 180.50 1ssm h ILE 9 N 0.98 1.21 -0.93 2.45 2.04 -0.56 -1.03 117.51 121.67 1ssm h ILE 9 Ca 0.21 -0.61 0.13 0.00 1.00 0.00 0.00 64.86 65.59 1ssm h ILE 9 Cb 0.29 1.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 1ssm h ILE 9 CO -0.01 0.16 0.60 0.03 0.00 0.00 0.00 178.15 178.93 1ssm h ARG 10 N -0.25 0.80 -0.20 2.37 3.08 -0.28 -0.86 114.38 119.06 1ssm h ARG 10 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1ssm h ARG 10 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1ssm h ARG 10 CO 0.00 0.53 -0.06 0.37 -1.07 0.00 0.00 179.97 179.74 1ssm h GLN 11 N 0.83 0.38 -0.48 0.04 4.15 -0.36 -2.55 115.11 117.13 1ssm h GLN 11 Ca 0.46 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 1ssm h GLN 11 Cb 0.60 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.25 1ssm h GLN 11 CO -0.23 0.65 0.17 0.93 -1.93 0.00 0.00 178.83 178.42 1ssm h GLU 12 N 0.10 0.73 -0.63 1.69 5.08 -0.75 -2.99 114.58 117.79 1ssm h GLU 12 Ca 0.05 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.37 1ssm h GLU 12 Cb 0.51 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 1ssm h GLU 12 CO 0.02 0.67 0.23 0.00 -1.00 0.00 0.00 179.01 178.93 1ssm h ALA 13 N 1.02 0.83 -0.77 3.43 0.00 -1.06 0.76 119.26 123.46 1ssm h ALA 13 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ssm h ALA 13 Cb 0.23 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ssm h ALA 13 CO -0.01 -0.20 0.49 0.87 0.00 0.00 0.00 179.25 180.40 1ssm h LYS 14 N 0.41 1.04 -0.24 0.00 1.57 -1.40 0.41 116.57 118.35 1ssm h LYS 14 Ca 0.33 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1ssm h LYS 14 Cb 0.42 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1ssm h LYS 14 CO -0.33 0.71 -0.21 0.93 -0.57 0.00 0.00 179.45 179.98 1ssm h GLU 15 N 1.05 0.56 -0.87 3.15 5.08 -1.01 -2.68 114.58 119.87 1ssm h GLU 15 Ca 0.28 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ssm h GLU 15 Cb -0.08 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1ssm h GLU 15 CO -0.06 0.87 0.44 -0.07 -1.00 0.00 0.00 179.01 179.20 1ssm h LEU 16 N 0.27 1.12 -0.92 1.33 4.07 0.74 -2.04 115.31 119.88 1ssm h LEU 16 Ca 0.04 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 1ssm h LEU 16 Cb 0.75 -0.29 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 1ssm h LEU 16 CO 0.05 0.92 0.26 0.00 -1.08 0.00 0.00 178.44 178.59 1ssm h ALA 17 N 1.25 1.14 -0.38 1.53 0.00 -0.91 -1.68 119.26 120.20 1ssm h ALA 17 Ca 0.30 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1ssm h ALA 17 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ssm h ALA 17 CO -0.04 0.61 -0.31 0.93 0.00 0.00 0.00 179.25 180.44 1ssm h GLU 18 N 1.02 0.84 -0.00 0.00 5.08 -1.09 -3.12 114.58 117.30 1ssm h GLU 18 Ca 0.23 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ssm h GLU 18 Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ssm h GLU 18 CO -0.02 1.03 -0.02 0.09 -1.00 0.00 0.00 179.01 179.09 1ssm n ASN 19 N -4.08 0.40 -3.21 1.42 4.13 -0.81 -4.46 115.26 108.65 1ssm n ASN 19 Ca -0.01 -0.97 -0.16 0.00 1.68 0.00 0.00 54.58 55.12 1ssm n ASN 19 Cb 0.49 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.64 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 -2.12 0.84 0.00 3.52 2.56 -0.67 -5.07 118.70 117.76 1ssm s GLU 20 Ca 0.41 -1.26 0.00 0.00 0.00 0.00 0.00 54.97 54.12 1ssm s GLU 20 Cb 0.21 -0.72 0.00 0.00 2.00 0.00 0.00 34.13 35.63 1ssm s GLU 20 CO 0.39 -1.29 0.00 -2.30 -0.56 0.00 0.00 175.26 171.50 1ssm n PRO 21 N 3.49 0.00 0.00 4.30 -0.02 -1.25 -2.19 135.00 139.33 1ssm n PRO 21 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1ssm n PRO 21 Cb 0.49 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 1.30 0.00 -0.14 2.45 7.94 -1.26 -4.54 117.00 122.75 1ssm n LEU 23 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1ssm n LEU 23 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 1ssm n LEU 23 CO 0.00 0.00 0.88 0.00 -1.11 0.00 0.00 177.39 177.16 1ssm h ALA 24 N 0.00 0.47 -0.68 1.96 0.00 -1.68 -1.65 119.26 117.68 1ssm h ALA 24 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1ssm h ALA 24 Cb 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1ssm h ALA 24 CO 0.00 -0.35 0.35 0.66 0.00 0.00 0.00 179.25 179.91 1ssm h SER 25 N 0.18 0.47 -0.38 0.00 4.64 -1.91 -0.28 113.55 116.27 1ssm h SER 25 Ca 0.22 0.05 0.05 0.00 -0.47 0.00 0.00 61.79 61.64 1ssm h SER 25 Cb 0.30 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 1ssm h SER 25 CO -0.32 0.29 0.13 0.15 -0.87 0.00 0.00 176.83 176.21 1ssm h PHE 26 N 0.61 0.24 -0.18 4.77 3.57 -1.73 0.18 116.94 124.39 1ssm h PHE 26 Ca 0.32 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 1ssm h PHE 26 Cb 0.29 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ssm h PHE 26 CO -0.10 0.09 -0.20 0.74 -2.23 0.00 0.00 178.31 176.61 1ssm h PHE 27 N 0.29 0.35 -0.01 0.41 0.05 -0.45 0.88 116.94 118.44 1ssm h PHE 27 Ca 0.18 -0.06 -0.12 0.00 3.82 0.00 0.00 57.97 61.79 1ssm h PHE 27 Cb 0.16 -0.09 0.01 0.00 2.00 0.00 0.00 35.95 38.03 1ssm h PHE 27 CO -0.15 0.51 -0.45 0.45 -0.18 0.00 0.00 178.31 178.49 1ssm h HIS 28 N 0.29 0.48 -0.45 -0.55 3.86 -0.62 -1.47 115.15 116.69 1ssm h HIS 28 Ca 0.05 -0.25 -0.07 0.00 -1.16 0.00 0.00 60.37 58.94 1ssm h HIS 28 Cb 0.53 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1ssm h HIS 28 CO 0.01 1.05 0.00 0.77 0.86 0.00 0.00 177.93 180.62 1ssm h SER 29 N -0.23 0.71 0.56 2.45 0.02 -0.44 -1.82 113.55 114.80 1ssm h SER 29 Ca -0.05 -0.16 -0.25 0.00 -0.84 0.00 0.00 61.79 60.49 1ssm h SER 29 Cb 1.16 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.47 1ssm h SER 29 CO 0.09 0.77 -1.61 0.35 -1.14 0.00 0.00 176.83 175.29 1ssm n THR 30 N -4.23 1.45 0.02 -2.27 -2.24 0.28 -4.83 114.28 102.46 1ssm n THR 30 Ca 0.02 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1ssm n THR 30 Cb 0.29 -0.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1ssm n THR 30 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ssm n ILE 31 N -2.98 0.13 -0.35 2.28 5.41 -0.63 -4.65 119.36 118.57 1ssm n ILE 31 Ca -0.14 0.04 0.24 0.00 1.00 0.00 0.00 62.75 63.89 1ssm n ILE 31 Cb 0.98 -0.69 0.49 0.00 -0.71 0.00 0.00 39.64 39.71 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 0.49 0.00 1.39 3.38 -1.35 -0.61 115.31 118.61 1ssm h LEU 32 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ssm h LEU 32 Cb 0.00 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ssm h LEU 32 CO 0.00 -0.02 0.00 2.29 0.09 0.00 0.00 178.44 180.80 1ssm n LYS 33 N -4.82 0.39 -3.78 1.13 2.85 -0.69 -4.82 118.16 108.42 1ssm n LYS 33 Ca 0.29 0.02 -0.31 0.00 -1.05 0.00 0.00 58.31 57.26 1ssm n LYS 33 Cb 0.97 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.80 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 -2.58 3.49 -0.01 5.58 3.76 -0.24 -5.01 115.29 120.27 1ssm s HIS 34 Ca 0.26 0.41 0.12 0.00 -0.15 0.00 0.00 55.06 55.70 1ssm s HIS 34 Cb 0.19 -1.89 -0.17 0.00 1.11 0.00 0.00 32.58 31.82 1ssm s HIS 34 CO 0.43 0.50 0.99 0.37 -0.85 0.00 0.00 174.74 176.18 1ssm h GLN 35 N 2.87 0.00 -4.92 1.40 5.75 -1.87 -3.49 115.11 114.85 1ssm h GLN 35 Ca -0.46 0.00 -0.49 0.00 -0.15 0.00 0.00 58.65 57.56 1ssm h GLN 35 Cb 1.16 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.58 1ssm h GLN 35 CO 0.74 0.63 -0.49 0.54 -2.65 0.00 0.00 178.83 177.60 1ssm s ASN 36 N -6.29 1.80 0.33 -0.69 2.20 -1.26 -5.04 114.94 105.98 1ssm s ASN 36 Ca -0.01 -1.77 0.14 0.00 -0.94 0.00 0.00 52.86 50.28 1ssm s ASN 36 Cb 0.09 0.57 0.55 0.00 -2.00 0.00 0.00 41.25 40.45 1ssm s ASN 36 CO 0.81 -1.07 1.69 0.25 -2.94 0.00 0.00 177.10 175.85 1ssm h LEU 37 N 2.10 0.00 -0.82 3.54 5.85 -1.93 -3.04 115.31 121.01 1ssm h LEU 37 Ca -0.25 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 1ssm h LEU 37 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1ssm h LEU 37 CO 0.36 0.48 -0.58 1.23 -0.34 0.00 0.00 178.44 179.60 1ssm h GLY 38 N 1.86 0.00 1.81 3.75 0.00 -1.96 -0.08 103.07 108.45 1ssm h GLY 38 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1ssm h GLY 38 CO 0.06 0.00 -0.84 -1.33 0.00 0.00 0.00 176.54 174.44 1ssm h GLY 39 N 1.80 0.19 0.29 4.60 0.00 -1.95 -2.55 103.07 105.45 1ssm h GLY 39 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1ssm h GLY 39 CO 0.08 0.29 -0.04 0.00 0.00 0.00 0.00 176.54 176.87 1ssm h ALA 40 N 1.03 -0.10 -0.77 3.60 0.00 -1.40 -2.80 119.26 118.81 1ssm h ALA 40 Ca -0.04 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.72 1ssm h ALA 40 Cb 1.45 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 1ssm h ALA 40 CO 0.13 -0.20 0.35 1.25 0.00 0.00 0.00 179.25 180.77 1ssm h LEU 41 N -0.82 0.38 -0.80 0.00 5.85 -1.08 -0.34 115.31 118.50 1ssm h LEU 41 Ca -0.01 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1ssm h LEU 41 Cb 0.60 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1ssm h LEU 41 CO 0.02 0.17 0.00 0.77 -0.34 0.00 0.00 178.44 179.06 1ssm h SER 42 N 0.52 0.88 -0.37 1.25 4.64 -1.53 0.05 113.55 119.00 1ssm h SER 42 Ca 0.42 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 1ssm h SER 42 Cb 0.59 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1ssm h SER 42 CO -0.37 0.94 0.12 0.22 -0.87 0.00 0.00 176.83 176.87 1ssm h TYR 43 N 0.85 0.60 0.51 4.77 5.03 -0.85 -1.21 116.97 126.67 1ssm h TYR 43 Ca 0.16 -0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 1ssm h TYR 43 Cb 0.49 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1ssm h TYR 43 CO 0.03 0.57 -0.24 -0.07 -1.32 0.00 0.00 178.16 177.13 1ssm h LEU 44 N 0.45 -0.58 -0.45 2.82 3.38 -0.84 -1.96 115.31 118.13 1ssm h LEU 44 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ssm h LEU 44 Cb 0.26 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1ssm h LEU 44 CO -0.00 -0.36 0.24 -0.07 0.09 0.00 0.00 178.44 178.34 1ssm h LEU 45 N -0.76 0.57 -0.35 1.67 3.38 -0.96 -0.03 115.31 118.84 1ssm h LEU 45 Ca -0.07 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1ssm h LEU 45 Cb 0.56 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1ssm h LEU 45 CO 0.11 0.50 0.16 0.00 0.09 0.00 0.00 178.44 179.30 1ssm h ALA 46 N 1.09 0.42 -0.43 1.53 0.00 -1.26 -0.01 119.26 120.60 1ssm h ALA 46 Ca 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ssm h ALA 46 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ssm h ALA 46 CO -0.02 -0.22 0.17 -0.91 0.00 0.00 0.00 179.25 178.26 1ssm h ASN 47 N 0.33 0.60 -0.31 0.00 2.35 -0.98 -2.34 115.58 115.22 1ssm h ASN 47 Ca 0.15 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1ssm h ASN 47 Cb 0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1ssm h ASN 47 CO -0.12 0.61 -0.12 0.11 -1.65 0.00 0.00 177.43 176.26 1ssm h LYS 48 N 0.55 0.74 0.00 0.81 1.79 -0.55 -3.07 116.57 116.85 1ssm h LYS 48 Ca 0.14 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1ssm h LYS 48 Cb 0.20 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1ssm h LYS 48 CO -0.01 0.84 -0.38 1.28 -1.08 0.00 0.00 179.45 180.09 1ssm n LEU 49 N -4.16 0.44 -4.72 2.94 4.77 -0.06 -4.84 117.00 111.37 1ssm n LEU 49 Ca 0.01 0.20 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 1ssm n LEU 49 Cb 0.37 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1ssm n LEU 49 CO 0.43 0.04 0.90 0.00 -1.33 0.00 0.00 177.39 177.42 1ssm n ALA 50 N -1.59 1.26 -3.25 -1.18 0.00 -0.88 -5.01 120.51 109.86 1ssm n ALA 50 Ca 0.05 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 1ssm n ALA 50 Cb 0.36 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 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 -1.04 -0.10 0.50 0.00 2.20 -1.26 -4.97 114.94 110.27 1ssm s ASN 51 Ca 0.74 -0.90 0.33 0.00 -0.94 0.00 0.00 52.86 52.09 1ssm s ASN 51 Cb -0.42 0.60 1.72 0.00 -2.00 0.00 0.00 41.25 41.16 1ssm s ASN 51 CO 0.47 -1.17 2.02 -0.65 -2.94 0.00 0.00 177.10 174.83 1ssm h PRO 52 N 2.23 0.00 -0.83 3.55 0.11 -2.04 -2.67 132.00 132.35 1ssm h PRO 52 Ca -0.25 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.66 1ssm h PRO 52 Cb 1.25 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 1ssm h PRO 52 CO 0.34 0.00 0.25 -0.89 -0.21 0.00 0.00 178.00 177.50 1ssm n ILE 53 N -2.72 2.47 -3.61 4.15 5.41 -1.26 -5.15 119.36 118.64 1ssm n ILE 53 Ca -0.01 -1.31 -0.08 0.00 1.00 0.00 0.00 62.75 62.34 1ssm n ILE 53 Cb 0.11 -0.45 -0.02 0.00 -0.71 0.00 0.00 39.64 38.57 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 -2.50 1.24 0.23 0.38 0.02 -1.01 -5.14 135.00 128.22 1ssm s PRO 55 Ca 0.44 -0.57 -0.06 0.00 0.02 0.00 0.00 61.00 60.83 1ssm s PRO 55 Cb 0.36 0.49 0.36 0.00 0.02 0.00 0.00 34.50 35.73 1ssm s PRO 55 CO 0.11 -0.55 1.78 0.00 -0.33 0.00 0.00 177.00 178.00 1ssm h ALA 56 N 2.00 1.03 -0.79 -1.55 0.00 -1.86 -1.19 119.26 116.91 1ssm h ALA 56 Ca -0.25 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1ssm h ALA 56 Cb 1.26 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1ssm h ALA 56 CO 0.30 -0.03 0.46 0.97 0.00 0.00 0.00 179.25 180.95 1ssm h ILE 57 N 0.63 0.95 -0.11 0.00 2.10 -2.00 0.28 117.51 119.36 1ssm h ILE 57 Ca 0.37 -0.27 -0.13 0.00 1.08 0.00 0.00 64.86 65.90 1ssm h ILE 57 Cb 0.39 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.19 1ssm h ILE 57 CO -0.27 0.15 -0.50 0.28 -1.08 0.00 0.00 178.15 176.72 1ssm h SER 58 N 0.80 0.33 0.21 2.19 0.02 -1.69 -3.15 113.55 112.27 1ssm h SER 58 Ca 0.36 -0.16 -0.22 0.00 -0.84 0.00 0.00 61.79 60.93 1ssm h SER 58 Cb 0.27 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.72 1ssm h SER 58 CO -0.21 0.78 -0.90 -0.07 -1.14 0.00 0.00 176.83 175.29 1ssm h LEU 59 N 0.24 0.63 -0.72 5.07 3.38 -0.16 -3.29 115.31 120.46 1ssm h LEU 59 Ca 0.01 -0.48 0.06 0.00 0.09 0.00 0.00 57.88 57.56 1ssm h LEU 59 Cb 0.97 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1ssm h LEU 59 CO 0.08 1.27 0.43 -0.09 0.09 0.00 0.00 178.44 180.21 1ssm h ARG 60 N 0.30 0.77 -0.75 1.13 2.43 -0.96 -0.68 114.38 116.63 1ssm h ARG 60 Ca -0.08 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1ssm h ARG 60 Cb 1.53 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 1ssm h ARG 60 CO 0.16 0.51 0.49 1.49 -1.51 0.00 0.00 179.97 181.11 1ssm h GLU 61 N 0.79 0.91 -0.07 0.20 4.81 -1.64 0.10 114.58 119.66 1ssm h GLU 61 Ca 0.32 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.36 1ssm h GLU 61 Cb 0.16 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1ssm h GLU 61 CO -0.17 0.60 -0.56 0.82 -0.73 0.00 0.00 179.01 178.97 1ssm h ILE 62 N 0.93 1.37 0.15 2.32 2.04 -1.23 -2.65 117.51 120.44 1ssm h ILE 62 Ca 0.29 -1.89 -0.29 0.00 1.00 0.00 0.00 64.86 63.97 1ssm h ILE 62 Cb 0.02 1.94 0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1ssm h ILE 62 CO -0.08 0.56 -1.27 0.40 0.00 0.00 0.00 178.15 177.76 1ssm h ILE 63 N 0.17 1.37 -0.16 -0.67 2.04 -0.61 -3.21 117.51 116.44 1ssm h ILE 63 Ca -0.00 -2.73 -0.10 0.00 1.00 0.00 0.00 64.86 63.02 1ssm h ILE 63 Cb 1.05 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 1ssm h ILE 63 CO 0.09 0.81 -0.35 -0.33 0.00 0.00 0.00 178.15 178.36 1ssm h GLU 64 N 0.17 0.34 -0.05 2.37 5.08 -1.00 -1.75 114.58 119.74 1ssm h GLU 64 Ca -0.18 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ssm h GLU 64 Cb 1.97 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 1ssm h GLU 64 CO 0.23 0.66 0.03 1.49 -1.00 0.00 0.00 179.01 180.42 1ssm h GLU 65 N 0.29 0.07 -0.68 2.33 4.22 -1.55 -0.49 114.58 118.77 1ssm h GLU 65 Ca 0.03 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.48 1ssm h GLU 65 Cb 0.77 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1ssm h GLU 65 CO 0.06 0.06 0.45 0.00 -2.18 0.00 0.00 179.01 177.39 1ssm h ALA 66 N 1.00 1.51 0.00 2.92 0.00 -1.48 0.55 119.26 123.77 1ssm h ALA 66 Ca 0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1ssm h ALA 66 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ssm h ALA 66 CO -0.00 0.45 -0.48 1.88 0.00 0.00 0.00 179.25 181.10 1ssm h TYR 67 N 0.92 0.00 0.01 0.00 0.99 -1.01 -1.62 116.97 116.25 1ssm h TYR 67 Ca 0.25 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.92 1ssm h TYR 67 Cb -0.10 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.63 1ssm h TYR 67 CO 0.00 0.48 -0.22 0.37 -0.00 0.00 0.00 178.16 178.79 1ssm h GLN 68 N 0.00 0.14 0.00 4.88 5.75 -0.12 -3.00 115.11 122.75 1ssm h GLN 68 Ca -0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1ssm h GLN 68 Cb 1.13 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1ssm h GLN 68 CO 0.06 0.93 0.00 0.43 -2.65 0.00 0.00 178.83 177.60 1ssm n SER 69 N -4.52 0.00 -2.74 -0.69 7.64 0.09 -4.36 113.62 109.03 1ssm n SER 69 Ca -0.10 0.42 -0.05 0.00 1.01 0.00 0.00 58.87 60.15 1ssm n SER 69 Cb 0.50 -0.47 0.02 0.00 -1.01 0.00 0.00 64.21 63.26 1ssm n SER 69 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ssm n ASN 70 N -1.47 -3.04 0.08 6.43 2.85 -0.61 -5.03 115.26 114.47 1ssm n ASN 70 Ca 0.07 -2.68 0.20 0.00 -0.11 0.00 0.00 54.58 52.05 1ssm n ASN 70 Cb 0.27 1.60 0.75 0.00 1.24 0.00 0.00 39.78 43.63 1ssm n ASN 70 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ssm h PRO 71 N 4.67 0.00 -0.06 1.20 0.11 -1.72 -2.87 132.00 133.33 1ssm h PRO 71 Ca 0.01 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.13 1ssm h PRO 71 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ssm h PRO 71 CO 0.04 0.00 0.04 0.66 -0.21 0.00 0.00 178.00 178.53 1ssm h SER 72 N 0.00 0.03 -0.49 -2.05 4.64 -1.95 -2.14 113.55 111.59 1ssm h SER 72 Ca 0.19 -0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.61 1ssm h SER 72 Cb 0.91 -0.01 -0.10 0.00 -0.31 0.00 0.00 62.40 62.89 1ssm h SER 72 CO -0.00 0.02 -0.21 0.40 -0.87 0.00 0.00 176.83 176.16 1ssm h ILE 73 N 0.03 0.35 -0.86 0.95 2.04 -1.88 0.41 117.51 118.56 1ssm h ILE 73 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1ssm h ILE 73 Cb 0.06 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1ssm h ILE 73 CO -0.00 0.00 0.54 0.40 0.00 0.00 0.00 178.15 179.09 1ssm h ILE 74 N -0.11 1.23 -0.25 -0.67 2.04 -1.63 -0.70 117.51 117.43 1ssm h ILE 74 Ca 0.23 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1ssm h ILE 74 Cb 0.46 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1ssm h ILE 74 CO -0.56 0.24 0.07 0.44 0.00 0.00 0.00 178.15 178.33 1ssm h ASP 75 N 1.18 0.05 -0.02 1.72 3.32 -0.38 0.21 116.42 122.50 1ssm h ASP 75 Ca 0.31 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.40 1ssm h ASP 75 Cb -0.08 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1ssm h ASP 75 CO -0.06 0.06 0.03 0.00 -1.72 0.00 0.00 179.24 177.55 1ssm h ALA 77 N 1.96 0.07 -0.82 0.00 0.00 0.85 -1.64 119.26 119.69 1ssm h ALA 77 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ssm h ALA 77 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1ssm h ALA 77 CO -0.00 -0.21 0.51 0.00 0.00 0.00 0.00 179.25 179.55 1ssm h ALA 78 N 0.64 1.04 -0.44 0.00 0.00 0.51 -0.83 119.26 120.18 1ssm h ALA 78 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ssm h ALA 78 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ssm h ALA 78 CO 0.01 0.48 0.05 0.00 0.00 0.00 0.00 179.25 179.79 1ssm h ASP 80 N 0.66 0.76 -0.24 0.00 3.32 -0.49 -1.34 116.42 119.09 1ssm h ASP 80 Ca 0.14 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 56.89 1ssm h ASP 80 Cb 0.33 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 1ssm h ASP 80 CO 0.01 0.94 -0.07 0.40 -1.72 0.00 0.00 179.24 178.79 1ssm h ILE 81 N 0.57 0.73 -0.12 0.35 2.04 -0.70 -1.58 117.51 118.80 1ssm h ILE 81 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1ssm h ILE 81 Cb 0.60 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1ssm h ILE 81 CO 0.04 0.00 -0.42 -0.61 0.00 0.00 0.00 178.15 177.16 1ssm h GLN 82 N -0.02 -0.48 -0.63 2.37 4.15 -0.99 -1.60 115.11 117.91 1ssm h GLN 82 Ca 0.12 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.63 1ssm h GLN 82 Cb 0.20 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 27.91 1ssm h GLN 82 CO -0.26 -0.32 -0.51 0.00 -1.93 0.00 0.00 178.83 175.81 1ssm h ALA 83 N 0.11 -0.61 -0.63 3.38 0.00 -0.32 0.17 119.26 121.37 1ssm h ALA 83 Ca 0.07 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1ssm h ALA 83 Cb 0.63 1.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1ssm h ALA 83 CO -0.39 -0.92 0.42 0.28 0.00 0.00 0.00 179.25 178.64 1ssm h VAL 84 N -0.18 0.91 -0.25 0.00 2.07 -1.15 0.61 116.25 118.26 1ssm h VAL 84 Ca 0.10 -0.16 -0.20 0.00 0.82 0.00 0.00 66.70 67.27 1ssm h VAL 84 Cb 0.45 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ssm h VAL 84 CO -0.69 0.09 -0.61 -0.09 0.02 0.00 0.00 177.57 176.29 1ssm h ARG 85 N 0.47 0.86 0.00 1.57 2.43 0.25 0.06 114.38 120.02 1ssm h ARG 85 Ca 0.29 -0.58 -0.11 0.00 -0.81 0.00 0.00 59.98 58.76 1ssm h ARG 85 Cb 0.52 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1ssm h ARG 85 CO -0.09 1.21 -0.80 0.45 -1.51 0.00 0.00 179.97 179.23 1ssm h HIS 86 N 0.63 0.00 0.00 2.20 -0.00 0.19 -3.37 115.15 114.80 1ssm h HIS 86 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1ssm h HIS 86 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1ssm h HIS 86 CO 0.08 0.48 -1.09 0.54 -0.00 0.00 0.00 177.93 177.94 1ssm n ARG 87 N -3.08 0.21 -3.89 2.45 1.74 0.20 -4.62 116.66 109.68 1ssm n ARG 87 Ca -0.02 -0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.70 1ssm n ARG 87 Cb 0.75 -1.54 -0.13 0.00 -1.02 0.00 0.00 32.46 30.51 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 -3.61 5.01 0.55 0.55 -1.08 0.00 -4.94 116.67 113.15 1ssm s ASP 88 Ca 0.04 -1.92 0.26 0.00 -0.52 0.00 0.00 52.55 50.41 1ssm s ASP 88 Cb 0.15 -1.73 1.45 0.00 -1.46 0.00 0.00 42.92 41.33 1ssm s ASP 88 CO 0.83 -0.43 2.01 1.55 0.52 0.00 0.00 175.17 179.65 1ssm h PRO 89 N 7.89 0.00 -1.53 4.34 0.13 -1.83 -1.39 132.00 139.60 1ssm h PRO 89 Ca -0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.91 1ssm h PRO 89 Cb 1.04 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 1ssm h PRO 89 CO 0.60 0.00 0.13 0.00 -0.23 0.00 0.00 178.00 178.50 1ssm n ALA 90 N -2.54 3.88 -3.24 -0.56 0.00 -1.26 -4.59 120.51 112.21 1ssm n ALA 90 Ca 0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1ssm n ALA 90 Cb 0.53 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1ssm n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ssm s VAL 91 N -0.69 -0.80 -0.09 0.00 1.01 -0.53 -5.05 120.40 114.24 1ssm s VAL 91 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1ssm s VAL 91 Cb 0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1ssm s VAL 91 CO 0.01 -0.14 0.00 1.05 0.00 0.00 0.00 175.10 176.02 1ssm h GLU 92 N 8.09 -0.00 -6.80 2.72 4.11 -1.84 -3.45 114.58 117.41 1ssm h GLU 92 Ca -0.08 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.84 1ssm h GLU 92 Cb 1.15 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.43 1ssm h GLU 92 CO 0.22 -0.00 0.55 -0.51 0.07 0.00 0.00 179.01 179.34 1ssm s LEU 93 N -8.12 4.49 0.37 3.06 1.43 -1.26 -4.98 118.68 113.68 1ssm s LEU 93 Ca -0.00 2.39 0.12 0.00 -1.03 0.00 0.00 54.13 55.61 1ssm s LEU 93 Cb 0.00 -3.63 0.70 0.00 0.03 0.00 0.00 46.19 43.30 1ssm s LEU 93 CO 0.00 -0.31 1.83 -0.50 0.23 0.00 0.00 176.35 177.59 1ssm h TRP 94 N 4.03 0.06 0.00 0.29 4.06 -1.93 -2.94 115.95 119.52 1ssm h TRP 94 Ca -0.47 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.41 1ssm h TRP 94 Cb 1.22 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.35 1ssm h TRP 94 CO 0.59 0.39 -0.30 0.66 -3.56 0.00 0.00 178.44 176.22 1ssm h SER 95 N 0.05 0.00 0.41 -3.49 4.64 -1.89 -3.36 113.55 109.90 1ssm h SER 95 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ssm h SER 95 Cb 0.64 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1ssm h SER 95 CO 0.05 0.30 -0.25 0.74 -0.87 0.00 0.00 176.83 176.80 1ssm h THR 96 N 0.00 0.49 -0.58 2.95 2.02 -1.93 0.12 112.91 115.97 1ssm h THR 96 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1ssm h THR 96 Cb 0.85 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1ssm h THR 96 CO 0.04 0.00 0.27 -0.65 0.37 0.00 0.00 175.52 175.55 1ssm h PRO 97 N -0.63 0.48 -0.40 6.66 0.11 -1.77 0.14 132.00 136.61 1ssm h PRO 97 Ca -0.05 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 1ssm h PRO 97 Cb 0.51 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 1ssm h PRO 97 CO 0.05 0.32 0.04 1.25 -0.21 0.00 0.00 178.00 179.45 1ssm h LEU 98 N 0.50 0.57 0.08 2.35 5.85 -1.70 -3.15 115.31 119.80 1ssm h LEU 98 Ca 0.28 -0.10 -0.34 0.00 0.84 0.00 0.00 57.88 58.55 1ssm h LEU 98 Cb 0.25 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1ssm h LEU 98 CO -0.23 0.61 -1.93 0.18 -0.34 0.00 0.00 178.44 176.73 1ssm n LEU 99 N -4.28 1.99 -0.01 2.25 4.77 0.39 -4.83 117.00 117.28 1ssm n LEU 99 Ca 0.02 0.26 -0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1ssm n LEU 99 Cb 0.23 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 1ssm n LEU 99 CO 0.39 0.69 -0.56 -1.22 -1.33 0.00 0.00 177.39 175.36 1ssm n TYR 100 N -3.31 0.00 -2.63 -1.77 0.53 0.43 -5.03 117.16 105.38 1ssm n TYR 100 Ca -0.27 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.18 1ssm n TYR 100 Cb 1.05 -0.10 -0.02 0.00 -1.03 0.00 0.00 39.34 39.24 1ssm n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1ssm s LEU 101 N -3.88 3.72 0.46 7.72 1.43 -1.19 -4.93 118.68 122.01 1ssm s LEU 101 Ca -0.01 0.54 0.20 0.00 -1.03 0.00 0.00 54.13 53.83 1ssm s LEU 101 Cb 0.01 -3.51 1.12 0.00 0.03 0.00 0.00 46.19 43.84 1ssm s LEU 101 CO 0.10 -1.17 1.97 0.07 0.23 0.00 0.00 176.35 177.55 1ssm h LYS 102 N 9.01 0.00 -0.48 1.70 2.10 -1.88 -1.00 116.57 126.02 1ssm h LYS 102 Ca -0.23 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.29 1ssm h LYS 102 Cb 1.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 1ssm h LYS 102 CO 1.10 0.21 -0.23 0.78 -2.00 0.00 0.00 179.45 179.31 1ssm h GLY 103 N 0.95 1.09 0.81 0.07 0.00 -1.80 0.47 103.07 104.66 1ssm h GLY 103 Ca -0.00 -0.98 0.01 0.00 0.00 0.00 0.00 47.33 46.36 1ssm h GLY 103 CO 0.03 0.89 -0.09 -2.75 0.00 0.00 0.00 176.54 174.62 1ssm h PHE 104 N 0.86 -0.22 -0.94 5.60 3.57 -1.47 -0.23 116.94 124.11 1ssm h PHE 104 Ca 0.11 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1ssm h PHE 104 Cb 0.81 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 1ssm h PHE 104 CO 0.05 -0.14 0.60 0.45 -2.23 0.00 0.00 178.31 177.05 1ssm h HIS 105 N -0.17 1.13 -0.21 0.41 3.86 -0.99 -0.64 115.15 118.54 1ssm h HIS 105 Ca 0.02 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1ssm h HIS 105 Cb 0.19 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1ssm h HIS 105 CO -0.14 0.63 0.03 0.00 0.86 0.00 0.00 177.93 179.31 1ssm h ALA 106 N 1.40 0.27 0.20 2.45 0.00 0.35 -0.78 119.26 123.16 1ssm h ALA 106 Ca 0.38 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ssm h ALA 106 Cb 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ssm h ALA 106 CO -0.14 -0.05 -0.26 0.82 0.00 0.00 0.00 179.25 179.62 1ssm h ILE 107 N 0.14 0.44 -0.87 0.00 2.04 -0.62 0.68 117.51 119.32 1ssm h ILE 107 Ca 0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1ssm h ILE 107 Cb 0.32 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1ssm h ILE 107 CO 0.00 0.00 0.57 1.56 0.00 0.00 0.00 178.15 180.28 1ssm h GLN 108 N -0.52 0.99 -0.75 2.37 1.08 -1.00 -0.10 115.11 117.17 1ssm h GLN 108 Ca 0.01 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 1ssm h GLN 108 Cb 0.51 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 1ssm h GLN 108 CO -0.09 0.65 0.25 0.77 -0.95 0.00 0.00 178.83 179.46 1ssm h SER 109 N 1.02 1.08 -0.73 1.46 0.02 -0.68 -2.73 113.55 112.99 1ssm h SER 109 Ca 0.36 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1ssm h SER 109 Cb 0.13 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1ssm h SER 109 CO -0.12 0.99 0.45 0.22 -1.14 0.00 0.00 176.83 177.23 1ssm h TYR 110 N 1.12 0.94 -0.93 3.45 3.20 0.97 -2.00 116.97 123.72 1ssm h TYR 110 Ca 0.25 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.29 1ssm h TYR 110 Cb 0.29 -0.31 -0.10 0.00 1.54 0.00 0.00 36.73 38.14 1ssm h TYR 110 CO 0.02 0.62 0.51 0.00 -1.64 0.00 0.00 178.16 177.68 1ssm h ARG 111 N 0.99 0.65 -0.56 1.82 3.08 -1.03 0.51 114.38 119.85 1ssm h ARG 111 Ca 0.26 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1ssm h ARG 111 Cb -0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1ssm h ARG 111 CO -0.05 0.43 0.22 0.82 -1.07 0.00 0.00 179.97 180.32 1ssm h ILE 112 N 0.67 1.22 -0.46 2.04 2.04 -1.31 -1.40 117.51 120.32 1ssm h ILE 112 Ca 0.52 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1ssm h ILE 112 Cb 0.79 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1ssm h ILE 112 CO -0.38 0.27 0.04 0.71 0.00 0.00 0.00 178.15 178.79 1ssm h THR 113 N 0.77 1.22 -0.29 -0.27 1.35 -0.33 -1.14 112.91 114.22 1ssm h THR 113 Ca 0.19 -0.88 -0.10 0.00 -0.55 0.00 0.00 66.41 65.07 1ssm h THR 113 Cb 0.20 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1ssm h THR 113 CO -0.01 0.31 -0.24 -0.74 -0.25 0.00 0.00 175.52 174.58 1ssm h HIS 114 N 0.69 0.63 -0.03 4.73 -0.00 0.22 0.44 115.15 121.82 1ssm h HIS 114 Ca 0.14 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1ssm h HIS 114 Cb 0.36 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1ssm h HIS 114 CO 0.02 0.76 0.00 -0.92 -0.00 0.00 0.00 177.93 177.79 1ssm h TYR 115 N 0.49 0.05 -0.58 5.26 3.20 -0.72 -1.66 116.97 123.02 1ssm h TYR 115 Ca 0.07 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1ssm h TYR 115 Cb 0.69 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1ssm h TYR 115 CO 0.03 0.29 0.06 -0.07 -1.64 0.00 0.00 178.16 176.83 1ssm h LEU 116 N -0.20 0.91 0.49 2.82 3.38 -1.08 -1.72 115.31 119.90 1ssm h LEU 116 Ca 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1ssm h LEU 116 Cb 0.27 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ssm h LEU 116 CO 0.00 0.93 -0.31 -0.25 0.09 0.00 0.00 178.44 178.90 1ssm h TRP 117 N 0.89 -0.81 0.00 1.13 2.91 -0.87 0.34 115.95 119.53 1ssm h TRP 117 Ca 0.18 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1ssm h TRP 117 Cb 0.43 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1ssm h TRP 117 CO 0.03 -0.47 0.17 -0.91 -1.03 0.00 0.00 178.44 176.23 1ssm h ASN 118 N -0.76 0.00 -0.74 2.65 2.35 -1.13 1.53 115.58 119.48 1ssm h ASN 118 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1ssm h ASN 118 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1ssm h ASN 118 CO 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 1ssm n GLN 119 N -2.87 2.87 -2.42 0.81 1.13 -0.52 -4.94 117.38 111.45 1ssm n GLN 119 Ca -0.02 -2.72 -0.17 0.00 -1.94 0.00 0.00 57.00 52.14 1ssm n GLN 119 Cb 0.23 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 28.94 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 1.62 -5.12 -4.28 1.08 5.15 0.52 -4.90 115.26 109.32 1ssm n ASN 120 Ca 0.25 0.07 -0.45 0.00 -0.60 0.00 0.00 54.58 53.85 1ssm n ASN 120 Cb 0.67 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.63 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 -2.93 3.68 0.15 1.20 1.74 0.11 -4.84 116.66 115.77 1ssm n ARG 121 Ca -0.21 -4.48 0.03 0.00 -0.77 0.00 0.00 57.85 52.42 1ssm n ARG 121 Cb 0.66 -2.54 0.11 0.00 -1.02 0.00 0.00 32.46 29.66 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 6.44 0.00 -0.36 5.56 1.57 -1.86 -2.82 116.57 125.10 1ssm h LYS 122 Ca 0.18 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 1ssm h LYS 122 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1ssm h LYS 122 CO 1.07 0.50 -0.31 0.77 -0.57 0.00 0.00 179.45 180.91 1ssm h SER 123 N 0.00 0.83 -0.05 0.86 0.02 -1.96 -0.70 113.55 112.54 1ssm h SER 123 Ca -0.01 -0.34 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 1ssm h SER 123 Cb 1.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1ssm h SER 123 CO 0.07 1.08 -0.27 0.25 -1.14 0.00 0.00 176.83 176.81 1ssm h LEU 124 N 0.67 0.50 -0.32 5.07 5.85 -1.96 -0.65 115.31 124.47 1ssm h LEU 124 Ca 0.07 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 1ssm h LEU 124 Cb 0.85 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1ssm h LEU 124 CO 0.07 0.76 -0.29 0.00 -0.34 0.00 0.00 178.44 178.64 1ssm h ALA 125 N 1.28 0.46 -0.38 1.25 0.00 -1.24 -2.62 119.26 118.01 1ssm h ALA 125 Ca 0.06 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1ssm h ALA 125 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ssm h ALA 125 CO 0.05 0.49 -0.39 -0.07 0.00 0.00 0.00 179.25 179.33 1ssm h LEU 126 N 0.53 0.99 -0.23 0.00 3.38 -0.93 -0.47 115.31 118.57 1ssm h LEU 126 Ca 0.05 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.61 1ssm h LEU 126 Cb 0.87 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1ssm h LEU 126 CO 0.07 1.26 -0.07 0.22 0.09 0.00 0.00 178.44 180.01 1ssm h TYR 127 N 0.76 -0.14 -0.08 1.13 3.20 -1.09 -2.15 116.97 118.60 1ssm h TYR 127 Ca 0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1ssm h TYR 127 Cb 0.98 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 1ssm h TYR 127 CO 0.06 -0.11 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.34 1ssm h LEU 128 N -0.01 0.18 -0.89 2.82 3.38 -1.44 -0.74 115.31 118.61 1ssm h LEU 128 Ca 0.11 -0.46 0.21 0.00 0.09 0.00 0.00 57.88 57.84 1ssm h LEU 128 Cb 0.18 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 40.72 1ssm h LEU 128 CO -0.24 0.60 -0.04 -0.61 0.09 0.00 0.00 178.44 178.24 1ssm h GLN 129 N -0.24 0.04 -0.00 1.13 4.15 -0.98 0.76 115.11 119.97 1ssm h GLN 129 Ca 0.01 -0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.24 1ssm h GLN 129 Cb 0.55 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1ssm h GLN 129 CO 0.02 0.03 -0.86 -0.91 -1.93 0.00 0.00 178.83 175.17 1ssm h ASN 130 N 0.05 0.28 1.12 -0.69 2.35 -1.18 -1.97 115.58 115.54 1ssm h ASN 130 Ca 0.49 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 1ssm h ASN 130 Cb 0.91 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1ssm h ASN 130 CO -0.83 1.01 -0.29 -0.61 -1.65 0.00 0.00 177.43 175.06 1ssm h GLN 131 N 0.12 0.00 -0.24 0.81 5.75 0.66 -1.08 115.11 121.13 1ssm h GLN 131 Ca -0.04 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.32 1ssm h GLN 131 Cb 1.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.02 1ssm h GLN 131 CO 0.13 0.29 -0.41 0.82 -2.65 0.00 0.00 178.83 177.01 1ssm h ILE 132 N 0.00 1.30 -0.01 2.39 2.04 0.76 -0.84 117.51 123.15 1ssm h ILE 132 Ca -0.00 -1.58 -0.12 0.00 1.00 0.00 0.00 64.86 64.15 1ssm h ILE 132 Cb 0.93 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1ssm h ILE 132 CO 0.04 0.50 -0.57 -1.28 0.00 0.00 0.00 178.15 176.84 1ssm h SER 133 N 0.48 0.02 -0.01 1.72 0.87 -0.64 -0.18 113.55 115.81 1ssm h SER 133 Ca 0.04 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 1ssm h SER 133 Cb 0.92 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1ssm h SER 133 CO 0.08 0.58 -0.48 0.58 -0.53 0.00 0.00 176.83 177.07 1ssm h VAL 134 N 0.01 1.46 -0.00 2.23 2.07 -0.82 -2.15 116.25 119.05 1ssm h VAL 134 Ca -0.01 -2.01 -0.26 0.00 0.82 0.00 0.00 66.70 65.24 1ssm h VAL 134 Cb 1.01 2.62 0.02 0.00 -1.52 0.00 0.00 31.29 33.42 1ssm h VAL 134 CO 0.08 0.57 -1.03 0.00 0.02 0.00 0.00 177.57 177.21 1ssm h ALA 135 N 0.31 0.17 -0.00 1.67 0.00 -1.09 -3.37 119.26 116.94 1ssm h ALA 135 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ssm h ALA 135 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ssm h ALA 135 CO 0.09 0.71 -0.15 1.19 0.00 0.00 0.00 179.25 181.09 1ssm n PHE 136 N -3.84 0.00 -2.49 0.00 0.99 -0.09 -4.99 117.46 107.05 1ssm n PHE 136 Ca -0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.19 1ssm n PHE 136 Cb 0.88 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.36 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 -0.40 -4.80 -4.20 4.37 4.64 -0.81 -4.54 116.55 110.82 1ssm n ASP 137 Ca 0.03 -0.09 -0.31 0.00 -1.38 0.00 0.00 54.79 53.04 1ssm n ASP 137 Cb 0.13 -3.83 -0.17 0.00 -1.04 0.00 0.00 41.12 36.22 1ssm n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1ssm s VAL 138 N -2.87 1.90 -0.29 5.18 1.01 -1.25 -1.29 120.40 122.80 1ssm s VAL 138 Ca 0.08 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1ssm s VAL 138 Cb -0.04 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.78 1ssm s VAL 138 CO 0.10 0.53 -0.03 -0.62 0.00 0.00 0.00 175.10 175.08 1ssm s ASP 139 N 0.28 4.49 -0.23 3.32 3.68 -0.41 -2.76 116.67 125.04 1ssm s ASP 139 Ca -0.15 -1.70 -0.00 0.00 2.13 0.00 0.00 52.55 52.83 1ssm s ASP 139 Cb -0.17 -1.51 0.03 0.00 -1.45 0.00 0.00 42.92 39.82 1ssm s ASP 139 CO 0.07 -0.28 -0.11 -0.63 0.13 0.00 0.00 175.17 174.34 1ssm s ILE 140 N 1.08 2.52 0.31 4.11 1.01 -1.26 0.08 121.20 129.05 1ssm s ILE 140 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 60.65 59.30 1ssm s ILE 140 Cb -0.19 -2.24 -0.11 0.00 0.01 0.00 0.00 42.46 39.93 1ssm s ILE 140 CO -0.07 0.29 1.50 -2.28 0.00 0.00 0.00 174.94 174.38 1ssm s HIS 141 N 1.29 2.79 0.59 3.97 5.65 -0.79 -4.84 115.29 123.93 1ssm s HIS 141 Ca 0.01 1.01 0.29 0.00 0.25 0.00 0.00 55.06 56.62 1ssm s HIS 141 Cb -0.16 -3.97 1.67 0.00 -1.18 0.00 0.00 32.58 28.95 1ssm s HIS 141 CO -0.07 -3.05 2.11 -1.35 -0.65 0.00 0.00 174.74 171.73 1ssm h PRO 142 N 4.17 0.00 0.00 2.88 0.11 -1.88 -2.67 132.00 134.61 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ssm h PRO 142 CO 0.73 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 1ssm h ALA 143 N 1.77 1.00 -2.98 -0.75 0.00 -1.90 -3.36 119.26 113.04 1ssm h ALA 143 Ca 0.08 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.43 1ssm h ALA 143 Cb 0.47 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.42 1ssm h ALA 143 CO -0.00 0.00 0.34 0.00 0.00 0.00 0.00 179.25 179.59 1ssm n ALA 144 N -1.89 0.72 -3.22 0.00 0.00 -1.01 -4.81 120.51 110.31 1ssm n ALA 144 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 1ssm n ALA 144 Cb 0.38 -2.23 -0.13 0.00 0.00 0.00 0.00 19.45 17.47 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 -3.10 3.27 -0.06 0.00 1.02 -0.07 -4.98 119.74 115.82 1ssm s LYS 145 Ca 0.80 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 56.11 1ssm s LYS 145 Cb -0.40 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1ssm s LYS 145 CO 0.43 -0.34 -0.22 0.42 -0.92 0.00 0.00 175.35 174.73 1ssm s ILE 146 N 1.52 1.81 0.00 2.17 1.01 -1.26 -0.08 121.20 126.37 1ssm s ILE 146 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1ssm s ILE 146 Cb -0.16 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1ssm s ILE 146 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1ssm n GLY 147 N 3.21 1.17 3.74 6.18 0.00 0.19 -4.97 105.19 114.71 1ssm n GLY 147 Ca -0.18 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 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 1.12 2.10 0.00 1.61 -3.43 -1.26 -4.62 115.29 110.80 1ssm s HIS 148 Ca 0.00 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.43 1ssm s HIS 148 Cb 0.00 -1.73 0.00 0.00 -1.43 0.00 0.00 32.58 29.42 1ssm s HIS 148 CO 0.00 0.21 0.00 0.41 -2.00 0.00 0.00 174.74 173.36 1ssm n GLY 149 N -1.24 0.44 0.51 -1.38 0.00 -1.26 -1.24 105.19 101.02 1ssm n GLY 149 Ca -0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.99 0.00 -3.14 -0.61 2.08 -1.26 -3.66 119.36 109.77 1ssm n ILE 150 Ca 0.00 -0.11 0.06 0.00 0.56 0.00 0.00 62.75 63.25 1ssm n ILE 150 Cb 0.00 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 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 -1.36 -0.31 -0.10 1.39 2.99 -1.26 -4.75 117.98 114.58 1ssm s PHE 152 Ca 0.10 0.18 -0.22 0.00 0.00 0.00 0.00 56.93 56.99 1ssm s PHE 152 Cb -0.00 0.05 -0.04 0.00 0.00 0.00 0.00 43.02 43.03 1ssm s PHE 152 CO 0.07 -0.18 0.64 0.34 -0.00 0.00 0.00 175.22 176.09 1ssm s ASP 153 N 2.94 6.86 0.00 1.36 2.15 -0.76 -4.14 116.67 125.08 1ssm s ASP 153 Ca 0.29 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.31 1ssm s ASP 153 Cb -0.01 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1ssm s ASP 153 CO -0.22 -0.12 0.00 1.41 -0.17 0.00 0.00 175.17 176.06 1ssm n HIS 154 N 4.01 0.00 0.00 -5.34 8.25 -1.26 -2.86 115.22 118.02 1ssm n HIS 154 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ssm n HIS 154 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.62 -1.41 0.00 -1.26 -4.55 120.51 111.68 1ssm n ALA 155 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.97 1ssm n ALA 155 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.65 0.85 -1.01 0.00 -1.04 -1.26 -2.28 114.28 107.88 1ssm n THR 156 Ca 0.00 -0.21 -0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1ssm n THR 156 Cb 0.00 -1.10 -0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 2.14 0.45 3.73 3.41 0.00 -0.41 -0.89 105.19 113.62 1ssm n GLY 157 Ca 0.14 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.89 4.12 -0.07 -0.61 1.01 -0.97 -3.92 121.20 118.88 1ssm s ILE 158 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.40 1ssm s ILE 158 Cb 0.00 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.38 1ssm s ILE 158 CO 0.00 0.26 -0.06 -0.69 0.00 0.00 0.00 174.94 174.45 1ssm s VAL 159 N 0.07 0.74 -0.15 2.92 1.01 -0.32 -1.29 120.40 123.37 1ssm s VAL 159 Ca 0.50 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1ssm s VAL 159 Cb -0.27 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1ssm s VAL 159 CO 0.32 0.29 -0.18 -0.69 0.00 0.00 0.00 175.10 174.84 1ssm s VAL 160 N 1.25 1.83 0.69 2.92 1.01 0.11 -0.21 120.40 128.00 1ssm s VAL 160 Ca -0.05 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1ssm s VAL 160 Cb -0.14 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1ssm s VAL 160 CO -0.02 0.50 1.06 -0.83 0.00 0.00 0.00 175.10 175.82 1ssm s GLY 161 N 1.18 1.73 0.39 4.51 0.00 0.12 -1.89 107.32 113.36 1ssm s GLY 161 Ca 0.00 0.15 0.20 0.00 0.00 0.00 0.00 44.72 45.07 1ssm s GLY 161 CO -0.08 0.46 1.71 -2.09 0.00 0.00 0.00 173.10 173.10 1ssm h GLU 162 N -0.60 0.31 -0.38 2.90 4.81 -1.90 -0.66 114.58 119.06 1ssm h GLU 162 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ssm h GLU 162 Cb 1.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1ssm h GLU 162 CO 0.56 0.20 0.00 0.25 -0.73 0.00 0.00 179.01 179.30 1ssm n THR 163 N -4.75 1.76 -1.47 0.32 -2.24 -1.26 -2.62 114.28 104.02 1ssm n THR 163 Ca 0.30 -1.42 -0.32 0.00 -2.27 0.00 0.00 64.05 60.34 1ssm n THR 163 Cb 1.03 0.09 0.08 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.36 4.62 -0.02 3.42 0.01 -0.26 -4.59 113.70 115.53 1ssm s SER 164 Ca 0.38 2.01 0.01 0.00 1.31 0.00 0.00 55.95 59.66 1ssm s SER 164 Cb 0.26 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.95 1ssm s SER 164 CO 0.15 -1.96 -0.04 -0.69 0.41 0.00 0.00 173.24 171.10 1ssm s VAL 165 N -2.50 0.42 -0.10 3.43 1.01 -1.04 -0.89 120.40 120.73 1ssm s VAL 165 Ca 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1ssm s VAL 165 Cb -0.21 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.81 1ssm s VAL 165 CO 0.48 0.15 -0.01 -0.63 0.00 0.00 0.00 175.10 175.08 1ssm s ILE 166 N 0.27 0.56 0.58 2.22 1.01 0.88 -0.61 121.20 126.12 1ssm s ILE 166 Ca -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.50 1ssm s ILE 166 Cb -0.07 -0.73 0.12 0.00 0.01 0.00 0.00 42.46 41.79 1ssm s ILE 166 CO -0.00 0.22 0.79 -0.62 0.00 0.00 0.00 174.94 175.33 1ssm n GLU 167 N 5.08 -0.27 -1.38 2.79 1.02 -0.16 -0.64 120.64 127.09 1ssm n GLU 167 Ca -0.09 -1.75 -0.35 0.00 -0.02 0.00 0.00 57.16 54.95 1ssm n GLU 167 Cb 0.50 -0.65 0.10 0.00 -0.02 0.00 0.00 31.44 31.37 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 -3.18 1.33 -2.32 1.62 3.02 -1.26 -3.76 115.26 110.71 1ssm n ASN 168 Ca 0.12 0.69 -0.15 0.00 -0.03 0.00 0.00 54.58 55.20 1ssm n ASN 168 Cb 0.41 -1.51 -0.01 0.00 -0.61 0.00 0.00 39.78 38.06 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 -2.51 -4.56 -4.82 6.41 8.00 -0.38 -2.29 116.55 116.41 1ssm n ASP 169 Ca 0.14 0.15 -0.36 0.00 0.71 0.00 0.00 54.79 55.43 1ssm n ASP 169 Cb 0.49 -3.87 -0.06 0.00 -0.02 0.00 0.00 41.12 37.66 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 -2.72 4.62 -0.10 2.53 1.01 -1.25 -3.89 120.40 120.60 1ssm s VAL 170 Ca 0.00 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1ssm s VAL 170 Cb 0.00 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1ssm s VAL 170 CO 0.00 0.21 -0.24 -0.44 0.00 0.00 0.00 175.10 174.62 1ssm s SER 171 N -1.67 3.08 -0.05 3.32 0.01 -0.03 -4.41 113.70 113.95 1ssm s SER 171 Ca 0.42 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1ssm s SER 171 Cb -0.16 -1.35 0.01 0.00 0.21 0.00 0.00 66.02 64.72 1ssm s SER 171 CO 0.21 0.17 -0.11 -0.63 0.41 0.00 0.00 173.24 173.28 1ssm s ILE 172 N 0.29 1.04 0.67 1.44 1.01 -1.26 -0.50 121.20 123.90 1ssm s ILE 172 Ca -0.18 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1ssm s ILE 172 Cb -0.18 -0.94 0.12 0.00 0.01 0.00 0.00 42.46 41.47 1ssm s ILE 172 CO 0.08 0.33 0.93 -0.76 0.00 0.00 0.00 174.94 175.52 1ssm s LEU 173 N 0.50 2.99 0.60 2.97 1.43 -0.85 -1.82 118.68 124.49 1ssm s LEU 173 Ca -0.10 -0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 52.15 1ssm s LEU 173 Cb -0.14 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 1ssm s LEU 173 CO 0.02 -1.71 1.25 0.00 0.23 0.00 0.00 176.35 176.14 1ssm n GLN 174 N -2.62 1.29 -0.97 1.70 0.00 -1.14 -3.56 117.38 112.08 1ssm n GLN 174 Ca 0.16 0.49 0.00 0.00 0.00 0.00 0.00 57.00 57.65 1ssm n GLN 174 Cb 0.61 -2.47 0.00 0.00 0.00 0.00 0.00 30.24 28.38 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 0.94 0.93 3.86 2.61 0.00 -0.07 -1.00 105.19 112.46 1ssm n GLY 175 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.71 4.86 -0.04 1.61 -7.23 -1.23 -4.15 120.40 110.50 1ssm s VAL 176 Ca 0.00 0.67 0.06 0.00 -1.81 0.00 0.00 61.98 60.90 1ssm s VAL 176 Cb 0.00 -3.66 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 1ssm s VAL 176 CO 0.00 0.01 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.69 1ssm s THR 177 N -1.73 2.30 -0.45 5.32 2.01 -0.63 -1.18 115.64 121.28 1ssm s THR 177 Ca 0.45 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1ssm s THR 177 Cb -0.12 -1.84 0.12 0.00 0.01 0.00 0.00 72.50 70.67 1ssm s THR 177 CO 0.20 0.58 0.18 -0.76 -0.69 0.00 0.00 174.62 174.13 1ssm s LEU 178 N -0.45 4.47 0.00 4.42 1.43 0.71 -0.82 118.68 128.44 1ssm s LEU 178 Ca 0.05 -2.69 0.00 0.00 -1.03 0.00 0.00 54.13 50.47 1ssm s LEU 178 Cb -0.12 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1ssm s LEU 178 CO 0.01 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1ssm n GLY 179 N 3.55 6.77 3.84 -3.19 0.00 -0.08 -0.70 105.19 115.37 1ssm n GLY 179 Ca 0.05 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.07 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 1.87 -0.10 -0.02 0.00 -1.26 -1.04 107.32 106.77 1ssm s GLY 180 Ca 0.00 -1.72 0.11 0.00 0.00 0.00 0.00 44.72 43.10 1ssm s GLY 180 CO 0.00 -1.63 0.43 -1.30 0.00 0.00 0.00 173.10 170.60 1ssm n THR 181 N -1.38 1.58 0.00 0.90 -2.24 -1.26 -4.46 114.28 107.41 1ssm n THR 181 Ca -0.01 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1ssm n THR 181 Cb 0.60 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 1.70 0.58 3.51 3.38 0.00 -1.26 -5.06 105.19 108.04 1ssm n GLY 182 Ca -0.24 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.26 1ssm n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ssm n LYS 183 N 0.00 1.19 0.29 1.61 4.01 -1.26 -4.76 118.16 119.24 1ssm n LYS 183 Ca 0.00 0.36 0.16 0.00 -0.51 0.00 0.00 58.31 58.32 1ssm n LYS 183 Cb 0.00 -2.42 0.87 0.00 -0.51 0.00 0.00 35.03 32.97 1ssm n LYS 183 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1ssm h GLU 184 N 11.21 0.00 -4.58 1.97 4.39 -2.01 -3.46 114.58 122.11 1ssm h GLU 184 Ca -0.32 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.10 1ssm h GLU 184 Cb 1.32 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.83 1ssm h GLU 184 CO 1.00 0.06 -0.55 -1.54 -1.16 0.00 0.00 179.01 176.82 1ssm s SER 185 N -5.86 0.46 0.00 1.42 1.04 -1.26 -5.13 113.70 104.37 1ssm s SER 185 Ca -0.03 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1ssm s SER 185 Cb 0.13 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1ssm s SER 185 CO 0.53 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1ssm n GLY 186 N -0.35 -1.81 3.65 7.32 0.00 -1.26 -4.76 105.19 107.97 1ssm n GLY 186 Ca 0.03 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 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 6.72 0.00 1.61 -1.08 -1.26 -4.84 116.67 113.82 1ssm s ASP 187 Ca 0.00 1.85 0.00 0.00 -0.52 0.00 0.00 52.55 53.88 1ssm s ASP 187 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1ssm s ASP 187 CO 0.00 -0.93 0.51 -2.11 0.52 0.00 0.00 175.17 173.16 1ssm n ARG 188 N 7.04 0.00 -4.33 4.34 1.85 -1.26 -4.79 116.66 119.50 1ssm n ARG 188 Ca 0.16 -0.37 -0.22 0.00 -1.00 0.00 0.00 57.85 56.42 1ssm n ARG 188 Cb 0.44 -0.24 -0.11 0.00 -1.05 0.00 0.00 32.46 31.50 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 1.81 0.47 2.89 3.76 -1.23 -3.62 115.29 119.37 1ssm s HIS 189 Ca 0.00 -0.47 -0.21 0.00 -0.15 0.00 0.00 55.06 54.23 1ssm s HIS 189 Cb 0.00 -0.90 -0.11 0.00 1.11 0.00 0.00 32.58 32.68 1ssm s HIS 189 CO 0.00 0.33 0.65 -2.30 -0.85 0.00 0.00 174.74 172.57 1ssm n PRO 190 N 0.29 0.72 -3.81 8.40 -0.02 0.31 -4.12 135.00 136.77 1ssm n PRO 190 Ca -0.13 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 1ssm n PRO 190 Cb 0.57 -1.70 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.86 2.16 -0.38 -0.52 3.01 -0.52 -2.49 119.74 119.14 1ssm s LYS 191 Ca 0.65 -2.26 -0.22 0.00 -1.01 0.00 0.00 55.97 53.13 1ssm s LYS 191 Cb -0.54 -3.55 0.01 0.00 -1.01 0.00 0.00 37.83 32.74 1ssm s LYS 191 CO 0.56 -1.10 0.75 0.08 0.51 0.00 0.00 175.35 176.14 1ssm s VAL 192 N 0.36 4.76 0.75 3.17 1.01 0.22 -1.92 120.40 128.75 1ssm s VAL 192 Ca 0.14 0.72 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 1ssm s VAL 192 Cb -0.22 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.02 1ssm s VAL 192 CO -0.04 -0.46 1.10 -0.13 0.00 0.00 0.00 175.10 175.58 1ssm s ARG 193 N 3.04 2.21 0.23 2.72 1.81 -0.81 -0.99 118.95 127.15 1ssm s ARG 193 Ca 0.29 0.04 -0.29 0.00 -1.72 0.00 0.00 55.73 54.05 1ssm s ARG 193 Cb -0.13 -2.04 -0.15 0.00 -0.45 0.00 0.00 34.95 32.17 1ssm s ARG 193 CO 0.17 -1.37 0.90 -1.91 -0.68 0.00 0.00 175.30 172.42 1ssm n GLU 194 N -3.12 0.86 -0.82 3.54 2.13 -1.26 -2.45 120.64 119.52 1ssm n GLU 194 Ca 0.08 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1ssm n GLU 194 Cb 0.60 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1ssm n GLU 194 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ssm n GLY 195 N 1.63 0.60 0.00 8.31 0.00 -0.97 -0.10 105.19 114.65 1ssm n GLY 195 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.03 0.00 -3.30 1.61 0.31 -1.03 -4.01 118.33 109.88 1ssm n VAL 196 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1ssm n VAL 196 Cb 0.01 -0.32 -0.04 0.00 -0.91 0.00 0.00 33.84 32.58 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 -0.04 -0.32 0.81 2.52 1.01 0.35 -0.85 121.20 124.67 1ssm s ILE 198 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 1ssm s ILE 198 Cb 0.00 -1.00 0.08 0.00 0.01 0.00 0.00 42.46 41.55 1ssm s ILE 198 CO 0.00 0.00 1.09 -0.83 0.00 0.00 0.00 174.94 175.20 1ssm s GLY 199 N 2.35 1.63 0.26 6.18 0.00 -0.33 -2.01 107.32 115.41 1ssm s GLY 199 Ca -0.01 -0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.35 1ssm s GLY 199 CO -0.16 0.36 1.28 0.00 0.00 0.00 0.00 173.10 174.57 1ssm n ALA 200 N -3.53 0.68 -0.55 3.20 0.00 -1.26 -2.58 120.51 116.47 1ssm n ALA 200 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ssm n ALA 200 Cb 0.55 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 1.64 1.41 3.76 0.00 0.00 -0.17 -0.21 105.19 111.62 1ssm n GLY 201 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.07 3.00 -0.21 4.61 0.00 -1.07 -4.14 121.76 120.89 1ssm s ALA 202 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1ssm s ALA 202 Cb 0.00 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1ssm s ALA 202 CO 0.00 -1.02 -0.15 0.15 0.00 0.00 0.00 175.76 174.75 1ssm s LYS 203 N -2.65 2.78 -0.36 0.00 -0.14 -0.15 -1.61 119.74 117.61 1ssm s LYS 203 Ca 0.65 -0.98 -0.06 0.00 -1.36 0.00 0.00 55.97 54.22 1ssm s LYS 203 Cb -0.37 -2.74 0.06 0.00 -1.68 0.00 0.00 37.83 33.10 1ssm s LYS 203 CO 0.45 -0.34 0.14 0.42 -0.76 0.00 0.00 175.35 175.26 1ssm s ILE 204 N 1.25 3.70 -0.06 2.17 1.01 0.00 -0.78 121.20 128.50 1ssm s ILE 204 Ca 0.01 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.33 1ssm s ILE 204 Cb -0.15 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1ssm s ILE 204 CO -0.09 -0.31 -0.15 -0.76 0.00 0.00 0.00 174.94 173.62 1ssm s LEU 205 N 1.35 2.66 0.00 2.97 1.43 -0.75 -0.91 118.68 125.43 1ssm s LEU 205 Ca 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1ssm s LEU 205 Cb -0.21 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1ssm s LEU 205 CO 0.01 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1ssm n GLY 206 N 2.60 1.61 2.95 -3.19 0.00 -0.21 -4.53 105.19 104.42 1ssm n GLY 206 Ca -0.17 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 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 6.34 -4.57 1.61 5.15 -1.24 0.11 115.26 122.66 1ssm n ASN 207 Ca 0.00 -3.39 -0.25 0.00 -0.60 0.00 0.00 54.58 50.34 1ssm n ASN 207 Cb 0.00 -1.29 -0.09 0.00 -0.53 0.00 0.00 39.78 37.87 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 -2.46 3.13 0.13 -1.44 -4.36 -1.26 -4.91 121.20 110.03 1ssm s ILE 208 Ca 0.33 -1.91 -0.25 0.00 -0.26 0.00 0.00 60.65 58.56 1ssm s ILE 208 Cb 0.07 -2.61 -0.07 0.00 1.25 0.00 0.00 42.46 41.09 1ssm s ILE 208 CO 0.08 -0.26 0.78 -1.61 0.24 0.00 0.00 174.94 174.16 1ssm s GLU 209 N -3.27 4.55 -0.43 0.37 0.41 -1.26 -1.44 118.70 117.63 1ssm s GLU 209 Ca 0.28 1.14 0.03 0.00 -0.41 0.00 0.00 54.97 56.01 1ssm s GLU 209 Cb -0.07 -3.30 0.12 0.00 -1.78 0.00 0.00 34.13 29.10 1ssm s GLU 209 CO 0.17 0.47 0.16 0.08 -0.49 0.00 0.00 175.26 175.65 1ssm s VAL 210 N -0.76 2.56 0.44 2.63 1.01 -0.81 0.73 120.40 126.19 1ssm s VAL 210 Ca 0.37 -2.72 -0.22 0.00 0.00 0.00 0.00 61.98 59.41 1ssm s VAL 210 Cb -0.22 -2.82 -0.12 0.00 0.00 0.00 0.00 36.38 33.22 1ssm s VAL 210 CO 0.25 -0.70 0.65 0.61 0.00 0.00 0.00 175.10 175.91 1ssm n GLY 211 N 3.82 -1.21 3.60 4.51 0.00 0.50 -1.93 105.19 114.47 1ssm n GLY 211 Ca 0.04 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 1ssm n GLY 211 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ssm n LYS 212 N 0.41 1.40 -1.38 1.61 2.85 -1.26 -1.58 118.16 120.21 1ssm n LYS 212 Ca 0.11 0.49 -0.13 0.00 -1.05 0.00 0.00 58.31 57.73 1ssm n LYS 212 Cb 0.40 -1.91 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 1ssm n LYS 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ssm n TYR 213 N 0.52 0.00 -1.73 5.58 4.02 0.85 -1.28 117.16 125.12 1ssm n TYR 213 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.68 1ssm n TYR 213 Cb 0.31 -2.75 0.04 0.00 -0.02 0.00 0.00 39.34 36.92 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 -2.22 2.66 -0.13 -0.72 0.00 -0.62 -3.98 121.76 116.75 1ssm s ALA 214 Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1ssm s ALA 214 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1ssm s ALA 214 CO 0.00 -1.11 -0.21 0.15 0.00 0.00 0.00 175.76 174.58 1ssm s LYS 215 N -4.61 3.07 -0.22 0.00 3.01 0.42 -4.44 119.74 116.97 1ssm s LYS 215 Ca 0.61 -0.84 -0.08 0.00 -1.01 0.00 0.00 55.97 54.65 1ssm s LYS 215 Cb -0.15 -2.42 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1ssm s LYS 215 CO 0.47 0.07 0.08 0.42 0.51 0.00 0.00 175.35 176.91 1ssm s ILE 216 N 0.62 4.67 0.61 2.17 -1.09 -1.26 -1.24 121.20 125.68 1ssm s ILE 216 Ca -0.11 -0.06 -0.18 0.00 -2.23 0.00 0.00 60.65 58.07 1ssm s ILE 216 Cb -0.16 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 1ssm s ILE 216 CO 0.03 0.39 1.18 -0.83 -1.23 0.00 0.00 174.94 174.47 1ssm s GLY 217 N 0.99 2.57 0.47 6.18 0.00 0.29 -1.18 107.32 116.64 1ssm s GLY 217 Ca 0.04 0.88 -0.21 0.00 0.00 0.00 0.00 44.72 45.43 1ssm s GLY 217 CO 0.03 1.26 0.67 0.00 0.00 0.00 0.00 173.10 175.06 1ssm n ALA 218 N -1.83 -0.90 -0.46 3.20 0.00 -1.26 -2.26 120.51 116.99 1ssm n ALA 218 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1ssm n ALA 218 Cb 0.50 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 0.74 -0.51 -4.71 0.00 4.13 0.71 -4.76 115.26 110.86 1ssm n ASN 219 Ca 0.11 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.03 1ssm n ASN 219 Cb 0.42 -2.21 0.11 0.00 -1.54 0.00 0.00 39.78 36.57 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 -1.69 3.86 -0.22 6.41 0.01 -0.96 -4.70 113.70 116.41 1ssm s SER 220 Ca 0.00 2.39 -0.00 0.00 1.31 0.00 0.00 55.95 59.64 1ssm s SER 220 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1ssm s SER 220 CO 0.00 -2.49 -0.12 -0.69 0.41 0.00 0.00 173.24 170.35 1ssm s VAL 221 N -2.03 2.52 -0.39 3.43 1.01 -0.68 -0.98 120.40 123.27 1ssm s VAL 221 Ca 0.74 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1ssm s VAL 221 Cb -0.30 -2.20 0.03 0.00 0.00 0.00 0.00 36.38 33.92 1ssm s VAL 221 CO 0.48 0.34 0.24 -0.69 0.00 0.00 0.00 175.10 175.48 1ssm s VAL 222 N 1.30 4.75 -0.33 2.92 1.01 0.04 0.18 120.40 130.28 1ssm s VAL 222 Ca 0.02 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.18 1ssm s VAL 222 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1ssm s VAL 222 CO -0.08 -0.29 0.31 0.18 0.00 0.00 0.00 175.10 175.21 1ssm n LEU 223 N 5.04 0.49 -4.28 3.92 4.77 -1.26 -1.81 117.00 123.86 1ssm n LEU 223 Ca -0.11 -0.60 -0.22 0.00 -0.03 0.00 0.00 56.01 55.04 1ssm n LEU 223 Cb 0.46 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 1ssm n LEU 223 CO 0.38 0.11 -0.50 0.20 -1.33 0.00 0.00 177.39 176.26 1ssm s ASN 224 N -1.27 2.46 0.35 -1.43 0.01 -1.26 -4.94 114.94 108.86 1ssm s ASN 224 Ca 0.03 -0.73 -0.24 0.00 -0.71 0.00 0.00 52.86 51.20 1ssm s ASN 224 Cb 0.04 -0.13 -0.14 0.00 0.41 0.00 0.00 41.25 41.43 1ssm s ASN 224 CO 0.18 0.01 0.51 -2.65 -1.51 0.00 0.00 177.10 173.63 1ssm n PRO 225 N 0.86 0.43 -4.99 -0.60 -0.02 -1.26 -4.89 135.00 124.53 1ssm n PRO 225 Ca -0.18 0.16 -0.32 0.00 -2.02 0.00 0.00 63.50 61.13 1ssm n PRO 225 Cb 0.55 -1.34 -0.15 0.00 -0.02 0.00 0.00 33.50 32.54 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 -1.36 2.68 0.47 -1.45 1.01 0.22 -4.95 120.40 117.03 1ssm s VAL 226 Ca 0.62 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 1ssm s VAL 226 Cb -0.69 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.56 1ssm s VAL 226 CO 0.59 0.56 1.15 -2.84 0.00 0.00 0.00 175.10 174.56 1ssm s PRO 227 N -0.09 3.73 0.74 2.72 0.02 -1.26 -0.37 135.00 140.49 1ssm s PRO 227 Ca -0.03 1.73 -0.16 0.00 0.02 0.00 0.00 61.00 62.56 1ssm s PRO 227 Cb -0.14 -2.36 -0.00 0.00 0.02 0.00 0.00 34.50 32.02 1ssm s PRO 227 CO 0.04 -0.56 0.79 0.39 -0.33 0.00 0.00 177.00 177.33 1ssm n GLU 228 N -0.57 0.34 -0.89 5.54 1.02 -1.26 -2.01 120.64 122.81 1ssm n GLU 228 Ca 0.08 0.17 -0.05 0.00 -0.02 0.00 0.00 57.16 57.33 1ssm n GLU 228 Cb 0.49 -2.07 -0.02 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.61 -0.29 -3.14 -0.32 4.02 -0.40 -4.88 117.16 109.54 1ssm n TYR 229 Ca 0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.79 1ssm n TYR 229 Cb 0.50 -1.68 0.01 0.00 -0.02 0.00 0.00 39.34 38.14 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 -1.17 3.96 -0.20 -0.72 0.00 -0.85 -4.84 121.76 117.94 1ssm s ALA 230 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1ssm s ALA 230 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1ssm s ALA 230 CO 0.00 -0.28 -0.15 0.99 0.00 0.00 0.00 175.76 176.32 1ssm s THR 231 N -2.43 2.50 0.07 0.00 2.01 -1.26 -0.44 115.64 116.09 1ssm s THR 231 Ca 0.48 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.70 1ssm s THR 231 Cb -0.10 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1ssm s THR 231 CO 0.35 0.49 0.03 0.00 -0.69 0.00 0.00 174.62 174.80 1ssm s ALA 232 N 1.35 3.39 0.18 7.40 0.00 -0.38 0.25 121.76 133.96 1ssm s ALA 232 Ca 0.05 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 1ssm s ALA 232 Cb -0.14 -1.32 0.06 0.00 0.00 0.00 0.00 23.12 21.72 1ssm s ALA 232 CO -0.10 0.71 0.59 0.00 0.00 0.00 0.00 175.76 176.97 1ssm s ALA 233 N -1.29 -1.45 0.00 0.00 0.00 0.60 -0.54 121.76 119.08 1ssm s ALA 233 Ca 0.26 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1ssm s ALA 233 Cb -0.12 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1ssm s ALA 233 CO 0.18 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1ssm n GLY 234 N -0.38 0.98 2.89 0.00 0.00 -1.26 -1.09 105.19 106.34 1ssm n GLY 234 Ca -0.15 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.26 1.63 0.51 1.61 1.01 -1.26 -0.94 120.40 120.69 1ssm s VAL 235 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 61.98 60.03 1ssm s VAL 235 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1ssm s VAL 235 CO 0.00 -0.60 0.86 -2.16 0.00 0.00 0.00 175.10 173.20 1ssm s PRO 236 N 1.24 3.62 0.33 2.72 0.04 -1.26 -5.01 135.00 136.69 1ssm s PRO 236 Ca 0.09 0.44 -0.28 0.00 0.04 0.00 0.00 61.00 61.29 1ssm s PRO 236 Cb -0.18 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 1ssm s PRO 236 CO -0.15 -0.27 1.25 0.00 0.04 0.00 0.00 177.00 177.87 1ssm s ALA 237 N -2.78 3.43 0.05 8.56 0.00 0.48 -4.87 121.76 126.62 1ssm s ALA 237 Ca 0.51 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.62 1ssm s ALA 237 Cb -0.10 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1ssm s ALA 237 CO 0.44 -0.55 -0.03 1.03 0.00 0.00 0.00 175.76 176.65 1ssm s ARG 238 N -1.81 0.59 0.29 0.00 0.52 -0.25 -4.74 118.95 113.56 1ssm s ARG 238 Ca 0.49 -1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 1ssm s ARG 238 Cb -0.37 0.16 -0.10 0.00 0.52 0.00 0.00 34.95 35.16 1ssm s ARG 238 CO 0.49 -0.09 1.37 0.42 0.02 0.00 0.00 175.30 177.51 1ssm s ILE 239 N -3.60 2.68 0.00 1.52 -1.09 -1.26 -0.30 121.20 119.16 1ssm s ILE 239 Ca 0.05 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1ssm s ILE 239 Cb 0.06 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1ssm s ILE 239 CO -0.08 0.13 0.00 1.33 -1.23 0.00 0.00 174.94 175.08