#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 0.00 0.00 -4.42 3.38 -2.01 -0.60 115.31 111.67 1ssm h LEU 3 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ssm h LEU 3 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ssm h LEU 3 CO 0.00 0.00 -0.79 -0.90 0.09 0.00 0.00 178.44 176.84 1ssm n ASP 4 N -3.90 0.69 0.04 -0.43 5.68 -1.26 -1.93 116.55 115.45 1ssm n ASP 4 Ca -0.02 -0.50 -0.19 0.00 -0.50 0.00 0.00 54.79 53.58 1ssm n ASP 4 Cb 0.12 0.63 -0.13 0.00 -1.14 0.00 0.00 41.12 40.60 1ssm n ASP 4 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1ssm h VAL 5 N 0.00 1.43 -0.24 2.12 2.07 -1.80 -2.06 116.25 117.76 1ssm h VAL 5 Ca 0.00 -2.33 0.05 0.00 0.82 0.00 0.00 66.70 65.24 1ssm h VAL 5 Cb 0.55 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 1ssm h VAL 5 CO 0.00 0.68 -0.12 -0.25 0.02 0.00 0.00 177.57 177.90 1ssm h TRP 6 N -0.12 -0.28 -0.50 1.57 -0.00 -1.13 0.48 115.95 115.97 1ssm h TRP 6 Ca -0.13 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.79 1ssm h TRP 6 Cb 1.57 0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 30.86 1ssm h TRP 6 CO 0.16 -0.18 0.32 1.96 -0.00 0.00 0.00 178.44 180.70 1ssm h GLN 7 N -0.09 0.67 -0.95 2.65 1.08 -1.40 0.15 115.11 117.22 1ssm h GLN 7 Ca 0.13 -0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 1ssm h GLN 7 Cb 0.28 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 1ssm h GLN 7 CO -0.29 0.47 0.63 0.45 -0.95 0.00 0.00 178.83 179.14 1ssm h HIS 8 N 0.68 1.19 -0.19 2.96 3.86 -0.97 0.17 115.15 122.84 1ssm h HIS 8 Ca 0.18 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1ssm h HIS 8 Cb -0.04 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.03 1ssm h HIS 8 CO -0.03 0.73 0.05 0.82 0.86 0.00 0.00 177.93 180.35 1ssm h ILE 9 N 1.26 1.20 -0.65 2.45 2.04 -0.06 0.81 117.51 124.57 1ssm h ILE 9 Ca 0.36 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1ssm h ILE 9 Cb -0.10 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ssm h ILE 9 CO -0.09 0.20 0.38 0.03 0.00 0.00 0.00 178.15 178.68 1ssm h ARG 10 N 0.12 0.88 -0.25 2.37 3.08 -0.31 -1.38 114.38 118.89 1ssm h ARG 10 Ca 0.06 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 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 0.63 -0.38 -0.56 -1.07 0.00 0.00 179.97 178.60 1ssm h GLN 11 N 0.88 0.57 -0.50 0.04 3.07 -0.40 -2.69 115.11 116.08 1ssm h GLN 11 Ca 0.23 -0.28 -0.07 0.00 0.09 0.00 0.00 58.65 58.62 1ssm h GLN 11 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 1ssm h GLN 11 CO -0.04 0.86 0.03 0.93 0.09 0.00 0.00 178.83 180.70 1ssm h GLU 12 N 0.47 0.86 -0.61 0.06 5.08 -0.66 -3.04 114.58 116.74 1ssm h GLU 12 Ca 0.05 -0.26 0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1ssm h GLU 12 Cb 0.87 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1ssm h GLU 12 CO 0.07 0.88 0.42 0.00 -1.00 0.00 0.00 179.01 179.39 1ssm h ALA 13 N 0.95 2.19 -0.08 3.43 0.00 -0.93 0.13 119.26 124.96 1ssm h ALA 13 Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1ssm h ALA 13 Cb 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ssm h ALA 13 CO 0.02 -0.35 -0.68 0.87 0.00 0.00 0.00 179.25 179.11 1ssm h LYS 14 N 0.28 0.33 0.16 0.00 1.57 -1.39 -0.59 116.57 116.93 1ssm h LYS 14 Ca 0.29 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ssm h LYS 14 Cb 0.77 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1ssm h LYS 14 CO -0.07 0.89 -0.08 0.93 -0.57 0.00 0.00 179.45 180.56 1ssm h GLU 15 N 0.23 -0.20 -0.97 3.15 4.39 -1.13 -1.90 114.58 118.16 1ssm h GLU 15 Ca -0.02 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.86 1ssm h GLU 15 Cb 1.23 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 29.84 1ssm h GLU 15 CO 0.11 0.23 0.61 -0.07 -1.16 0.00 0.00 179.01 178.73 1ssm h LEU 16 N -0.77 0.74 -0.42 1.33 4.07 -0.82 0.18 115.31 119.63 1ssm h LEU 16 Ca -0.02 0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 1ssm h LEU 16 Cb 0.53 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1ssm h LEU 16 CO 0.04 0.32 -0.06 0.00 -1.08 0.00 0.00 178.44 177.66 1ssm h ALA 17 N 1.60 0.58 -0.78 1.53 0.00 -1.04 -1.70 119.26 119.45 1ssm h ALA 17 Ca 0.52 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1ssm h ALA 17 Cb 0.81 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1ssm h ALA 17 CO -0.29 0.42 0.31 0.93 0.00 0.00 0.00 179.25 180.62 1ssm h GLU 18 N 0.61 1.17 0.00 0.00 4.39 -0.24 -2.99 114.58 117.52 1ssm h GLU 18 Ca 0.11 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ssm h GLU 18 Cb 0.57 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1ssm h GLU 18 CO 0.03 0.95 -0.19 0.09 -1.16 0.00 0.00 179.01 178.73 1ssm n ASN 19 N -4.28 0.64 -3.54 1.42 5.03 -0.12 -4.55 115.26 109.86 1ssm n ASN 19 Ca 0.07 0.39 -0.29 0.00 0.87 0.00 0.00 54.58 55.62 1ssm n ASN 19 Cb 0.19 -0.44 -0.12 0.00 -1.02 0.00 0.00 39.78 38.39 1ssm n ASN 19 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ssm s GLU 20 N -3.10 0.74 0.00 3.52 2.56 -0.65 -5.08 118.70 116.69 1ssm s GLU 20 Ca 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 54.97 53.59 1ssm s GLU 20 Cb 0.14 -1.59 0.00 0.00 2.00 0.00 0.00 34.13 34.68 1ssm s GLU 20 CO 0.63 -1.18 0.26 -2.30 -0.56 0.00 0.00 175.26 172.10 1ssm n PRO 21 N 3.97 0.00 0.00 4.30 -0.02 -1.25 -2.59 135.00 139.41 1ssm n PRO 21 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1ssm n PRO 21 Cb 0.37 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 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 2.46 0.00 0.46 2.45 7.94 -1.26 -4.64 117.00 124.41 1ssm n LEU 23 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 1ssm n LEU 23 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 1ssm n LEU 23 CO 0.13 0.00 0.53 0.00 -1.11 0.00 0.00 177.39 176.94 1ssm h ALA 24 N 0.00 -1.31 -0.94 1.96 0.00 -1.75 -0.87 119.26 116.35 1ssm h ALA 24 Ca 0.00 -0.26 0.28 0.00 0.00 0.00 0.00 54.91 54.93 1ssm h ALA 24 Cb 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 1ssm h ALA 24 CO 0.00 -1.23 0.31 0.66 0.00 0.00 0.00 179.25 178.99 1ssm h SER 25 N -1.20 0.07 0.06 0.00 4.64 -1.91 0.42 113.55 115.63 1ssm h SER 25 Ca -0.12 0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ssm h SER 25 Cb 0.93 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ssm h SER 25 CO 0.17 -0.22 -0.03 0.15 -0.87 0.00 0.00 176.83 176.03 1ssm h PHE 26 N 0.17 -0.08 -0.46 4.77 3.57 -1.85 0.21 116.94 123.27 1ssm h PHE 26 Ca 0.64 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.11 1ssm h PHE 26 Cb 1.40 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 1ssm h PHE 26 CO -0.22 -0.04 0.18 0.74 -2.23 0.00 0.00 178.31 176.74 1ssm h PHE 27 N -0.10 0.66 -0.17 0.41 0.05 0.11 -1.14 116.94 116.77 1ssm h PHE 27 Ca -0.01 -0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.71 1ssm h PHE 27 Cb 0.08 -0.21 -0.00 0.00 2.00 0.00 0.00 35.95 37.82 1ssm h PHE 27 CO -0.07 0.52 -0.07 0.45 -0.18 0.00 0.00 178.31 178.96 1ssm h HIS 28 N 0.66 0.39 -0.56 -0.55 3.86 -0.37 -0.97 115.15 117.61 1ssm h HIS 28 Ca 0.16 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1ssm h HIS 28 Cb 0.14 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1ssm h HIS 28 CO 0.01 0.64 0.04 0.77 0.86 0.00 0.00 177.93 180.25 1ssm h SER 29 N 0.03 0.90 0.64 2.45 0.02 -0.27 -1.55 113.55 115.78 1ssm h SER 29 Ca 0.04 -0.22 -0.26 0.00 -0.84 0.00 0.00 61.79 60.51 1ssm h SER 29 Cb 0.53 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 1ssm h SER 29 CO 0.02 0.94 -1.50 0.71 -1.14 0.00 0.00 176.83 175.86 1ssm h THR 30 N 0.87 1.05 0.00 -2.27 1.35 -1.25 -3.45 112.91 109.22 1ssm h THR 30 Ca 0.17 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.18 1ssm h THR 30 Cb 0.46 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1ssm h THR 30 CO 0.02 0.60 -0.25 -0.38 -0.25 0.00 0.00 175.52 175.26 1ssm n ILE 31 N -3.12 0.38 -0.10 6.82 5.41 -0.45 -4.56 119.36 123.74 1ssm n ILE 31 Ca -0.12 0.13 0.15 0.00 1.00 0.00 0.00 62.75 63.90 1ssm n ILE 31 Cb 1.01 -1.08 0.53 0.00 -0.71 0.00 0.00 39.64 39.39 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 0.31 -0.06 1.39 3.38 -1.25 -1.90 115.31 117.18 1ssm h LEU 32 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ssm h LEU 32 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ssm h LEU 32 CO 0.00 0.17 -0.08 2.29 0.09 0.00 0.00 178.44 180.91 1ssm n LYS 33 N -4.46 0.32 -3.99 1.13 2.85 -0.59 -4.84 118.16 108.59 1ssm n LYS 33 Ca 0.12 -0.06 -0.25 0.00 -1.05 0.00 0.00 58.31 57.06 1ssm n LYS 33 Cb 0.48 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.32 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 -2.72 3.39 -0.16 5.58 3.76 -0.72 -5.02 115.29 119.40 1ssm s HIS 34 Ca 0.22 0.06 0.21 0.00 -0.15 0.00 0.00 55.06 55.41 1ssm s HIS 34 Cb 0.20 -1.61 -0.12 0.00 1.11 0.00 0.00 32.58 32.16 1ssm s HIS 34 CO 0.51 0.51 0.82 1.04 -0.85 0.00 0.00 174.74 176.77 1ssm n GLN 35 N -0.61 0.63 -4.17 1.40 3.00 -1.26 -4.98 117.38 111.38 1ssm n GLN 35 Ca -0.08 0.07 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1ssm n GLN 35 Cb 0.55 -1.74 -0.09 0.00 0.00 0.00 0.00 30.24 28.95 1ssm n GLN 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1ssm s ASN 36 N -5.27 0.12 0.43 1.08 2.20 -1.26 -5.03 114.94 107.21 1ssm s ASN 36 Ca -0.03 -1.32 0.17 0.00 -0.94 0.00 0.00 52.86 50.73 1ssm s ASN 36 Cb 0.10 0.41 0.99 0.00 -2.00 0.00 0.00 41.25 40.75 1ssm s ASN 36 CO 0.82 -0.88 1.94 0.25 -2.94 0.00 0.00 177.10 176.29 1ssm h LEU 37 N 2.57 0.00 -0.29 3.54 5.85 -1.94 -2.88 115.31 122.16 1ssm h LEU 37 Ca -0.35 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1ssm h LEU 37 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1ssm h LEU 37 CO 0.50 0.24 0.09 1.23 -0.34 0.00 0.00 178.44 180.17 1ssm h GLY 38 N 0.86 0.48 0.98 3.75 0.00 -1.96 0.18 103.07 107.36 1ssm h GLY 38 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1ssm h GLY 38 CO 0.03 0.26 0.38 -1.33 0.00 0.00 0.00 176.54 175.88 1ssm h GLY 39 N 0.31 0.82 0.69 4.60 0.00 -1.92 -1.22 103.07 106.34 1ssm h GLY 39 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1ssm h GLY 39 CO -0.00 0.28 -0.04 0.00 0.00 0.00 0.00 176.54 176.78 1ssm h ALA 40 N 1.22 0.13 -0.93 3.60 0.00 -1.42 -2.26 119.26 119.60 1ssm h ALA 40 Ca 0.22 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ssm h ALA 40 Cb -0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1ssm h ALA 40 CO -0.05 -0.11 0.61 1.25 0.00 0.00 0.00 179.25 180.95 1ssm h LEU 41 N -0.17 1.04 -0.57 0.00 5.85 -0.50 -0.55 115.31 120.40 1ssm h LEU 41 Ca 0.02 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1ssm h LEU 41 Cb 0.49 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1ssm h LEU 41 CO 0.01 0.74 -0.51 0.77 -0.34 0.00 0.00 178.44 179.11 1ssm h SER 42 N 1.22 0.59 -0.48 1.25 4.64 -1.23 -1.59 113.55 117.94 1ssm h SER 42 Ca 0.35 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1ssm h SER 42 Cb -0.08 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 1ssm h SER 42 CO -0.09 0.99 0.07 0.22 -0.87 0.00 0.00 176.83 177.15 1ssm h TYR 43 N 0.42 0.86 -0.01 4.77 5.03 -0.72 -1.93 116.97 125.39 1ssm h TYR 43 Ca 0.02 -0.13 -0.00 0.00 2.58 0.00 0.00 58.73 61.20 1ssm h TYR 43 Cb 1.04 -0.23 -0.00 0.00 1.55 0.00 0.00 36.73 39.09 1ssm h TYR 43 CO 0.04 0.80 0.00 -0.07 -1.32 0.00 0.00 178.16 177.61 1ssm h LEU 44 N 0.68 0.02 -0.20 2.82 3.38 -0.93 -2.52 115.31 118.57 1ssm h LEU 44 Ca 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1ssm h LEU 44 Cb 0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1ssm h LEU 44 CO 0.01 0.30 0.02 -0.07 0.09 0.00 0.00 178.44 178.79 1ssm h LEU 45 N -0.25 0.33 -0.75 1.67 3.38 -1.32 -0.55 115.31 117.81 1ssm h LEU 45 Ca 0.00 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.75 1ssm h LEU 45 Cb 0.29 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1ssm h LEU 45 CO 0.00 0.53 0.43 0.00 0.09 0.00 0.00 178.44 179.50 1ssm h ALA 46 N 0.81 1.02 -0.40 1.53 0.00 -1.43 0.42 119.26 121.21 1ssm h ALA 46 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1ssm h ALA 46 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ssm h ALA 46 CO 0.01 0.12 -0.11 -0.91 0.00 0.00 0.00 179.25 178.35 1ssm h ASN 47 N 0.78 0.79 0.45 0.00 2.35 -1.32 -2.03 115.58 116.59 1ssm h ASN 47 Ca 0.34 -0.37 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 1ssm h ASN 47 Cb 0.22 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ssm h ASN 47 CO -0.19 0.98 -0.57 0.11 -1.65 0.00 0.00 177.43 176.10 1ssm h LYS 48 N 0.59 0.13 -0.00 0.81 1.57 -0.38 -3.14 116.57 116.14 1ssm h LYS 48 Ca 0.10 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ssm h LYS 48 Cb 0.64 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1ssm h LYS 48 CO 0.04 0.66 -0.45 1.28 -0.57 0.00 0.00 179.45 180.41 1ssm n LEU 49 N -3.88 0.89 -4.73 2.94 4.77 0.14 -4.83 117.00 112.29 1ssm n LEU 49 Ca -0.02 -0.22 -0.37 0.00 -0.03 0.00 0.00 56.01 55.37 1ssm n LEU 49 Cb 0.59 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1ssm n LEU 49 CO 0.43 0.19 0.92 0.00 -1.33 0.00 0.00 177.39 177.60 1ssm s ALA 50 N -2.76 2.45 0.28 -1.18 0.00 -0.77 -5.01 121.76 114.78 1ssm s ALA 50 Ca 0.17 1.25 -0.13 0.00 0.00 0.00 0.00 51.96 53.24 1ssm s ALA 50 Cb 0.18 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1ssm s ALA 50 CO 0.64 -1.57 0.56 0.54 0.00 0.00 0.00 175.76 175.92 1ssm s ASN 51 N -1.31 0.03 0.54 0.00 2.20 -1.26 -4.94 114.94 110.20 1ssm s ASN 51 Ca 0.81 -0.98 0.21 0.00 -0.94 0.00 0.00 52.86 51.96 1ssm s ASN 51 Cb -0.38 0.65 1.45 0.00 -2.00 0.00 0.00 41.25 40.97 1ssm s ASN 51 CO 0.41 -1.27 2.18 -0.65 -2.94 0.00 0.00 177.10 174.84 1ssm h PRO 52 N 2.16 0.00 -0.24 3.55 0.11 -2.04 -2.28 132.00 133.25 1ssm h PRO 52 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 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 0.34 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.24 1ssm n ILE 53 N -4.31 0.00 -3.72 4.15 5.41 -1.26 -5.13 119.36 114.51 1ssm n ILE 53 Ca -0.03 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.64 1ssm n ILE 53 Cb 0.10 -0.13 -0.02 0.00 -0.71 0.00 0.00 39.64 38.88 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 -1.75 1.62 0.26 0.38 0.02 -0.86 -5.13 135.00 129.53 1ssm s PRO 55 Ca 0.00 -0.82 -0.04 0.00 0.02 0.00 0.00 61.00 60.16 1ssm s PRO 55 Cb 0.00 0.60 0.35 0.00 0.02 0.00 0.00 34.50 35.47 1ssm s PRO 55 CO 0.00 -0.73 1.89 0.00 -0.33 0.00 0.00 177.00 177.83 1ssm h ALA 56 N 2.01 1.31 -0.99 -1.55 0.00 -1.85 -2.00 119.26 116.18 1ssm h ALA 56 Ca -0.24 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ssm h ALA 56 Cb 1.27 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1ssm h ALA 56 CO 0.28 0.46 0.65 0.97 0.00 0.00 0.00 179.25 181.62 1ssm h ILE 57 N 1.18 1.20 0.00 0.00 2.10 -2.00 -0.37 117.51 119.62 1ssm h ILE 57 Ca 0.40 -0.44 -0.07 0.00 1.08 0.00 0.00 64.86 65.84 1ssm h ILE 57 Cb 0.08 -0.20 -0.01 0.00 -1.09 0.00 0.00 36.82 35.60 1ssm h ILE 57 CO -0.15 0.23 -0.31 0.28 -1.08 0.00 0.00 178.15 177.13 1ssm h SER 58 N 1.28 0.00 0.80 2.19 0.02 -1.79 -3.14 113.55 112.91 1ssm h SER 58 Ca 0.39 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.19 1ssm h SER 58 Cb -0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1ssm h SER 58 CO -0.11 0.31 -1.30 -0.07 -1.14 0.00 0.00 176.83 174.52 1ssm h LEU 59 N 0.00 0.00 -0.46 5.07 3.38 -0.85 -3.35 115.31 119.10 1ssm h LEU 59 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1ssm h LEU 59 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1ssm h LEU 59 CO 0.04 0.53 0.08 -0.09 0.09 0.00 0.00 178.44 179.09 1ssm h ARG 60 N 0.00 0.76 -0.77 1.13 2.43 -1.06 -2.02 114.38 114.85 1ssm h ARG 60 Ca -0.14 -0.20 0.10 0.00 -0.81 0.00 0.00 59.98 58.93 1ssm h ARG 60 Cb 1.53 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.91 1ssm h ARG 60 CO 0.04 0.77 0.42 1.49 -1.51 0.00 0.00 179.97 181.18 1ssm h GLU 61 N 0.62 0.68 -0.38 0.20 4.81 -1.72 0.23 114.58 119.02 1ssm h GLU 61 Ca 0.14 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1ssm h GLU 61 Cb 0.37 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1ssm h GLU 61 CO 0.01 0.45 -0.06 0.82 -0.73 0.00 0.00 179.01 179.49 1ssm h ILE 62 N 0.70 1.24 0.02 2.32 2.04 -1.56 -2.53 117.51 119.73 1ssm h ILE 62 Ca 0.38 -1.01 -0.27 0.00 1.00 0.00 0.00 64.86 64.96 1ssm h ILE 62 Cb 0.38 1.01 0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1ssm h ILE 62 CO -0.26 0.34 -1.06 0.40 0.00 0.00 0.00 178.15 177.57 1ssm h ILE 63 N 0.60 1.30 0.00 -0.67 2.04 -0.58 -3.18 117.51 117.03 1ssm h ILE 63 Ca 0.11 -2.33 -0.06 0.00 1.00 0.00 0.00 64.86 63.58 1ssm h ILE 63 Cb 0.48 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1ssm h ILE 63 CO 0.02 0.71 -0.30 -0.33 0.00 0.00 0.00 178.15 178.26 1ssm h GLU 64 N 0.34 0.00 -0.24 2.37 5.08 -0.90 -2.16 114.58 119.07 1ssm h GLU 64 Ca -0.13 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1ssm h GLU 64 Cb 1.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 1ssm h GLU 64 CO 0.20 0.30 0.02 1.49 -1.00 0.00 0.00 179.01 180.02 1ssm h GLU 65 N 0.00 0.41 0.00 2.33 4.57 -1.47 -1.08 114.58 119.34 1ssm h GLU 65 Ca -0.00 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 1ssm h GLU 65 Cb 0.55 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1ssm h GLU 65 CO 0.04 0.57 -0.22 0.00 -1.18 0.00 0.00 179.01 178.21 1ssm h ALA 66 N 0.83 1.60 0.00 2.92 0.00 -1.48 0.45 119.26 123.58 1ssm h ALA 66 Ca 0.07 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1ssm h ALA 66 Cb 0.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ssm h ALA 66 CO 0.01 0.28 -0.79 1.88 0.00 0.00 0.00 179.25 180.63 1ssm h TYR 67 N 0.00 0.00 0.04 0.00 0.99 -1.05 -1.35 116.97 115.60 1ssm h TYR 67 Ca -0.00 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.45 1ssm h TYR 67 Cb 0.40 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.10 1ssm h TYR 67 CO 0.00 0.79 -1.45 0.37 -0.00 0.00 0.00 178.16 177.87 1ssm h GLN 68 N 0.00 0.08 -0.04 4.88 4.15 -0.52 -3.14 115.11 120.52 1ssm h GLN 68 Ca -0.01 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1ssm h GLN 68 Cb 1.43 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.17 1ssm h GLN 68 CO 0.10 0.86 0.00 0.43 -1.93 0.00 0.00 178.83 178.29 1ssm n SER 69 N -3.27 1.26 -2.85 -0.69 7.64 0.15 -4.50 113.62 111.36 1ssm n SER 69 Ca -0.12 -1.47 -0.02 0.00 1.01 0.00 0.00 58.87 58.28 1ssm n SER 69 Cb 1.01 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 64.21 1ssm n SER 69 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1ssm s ASN 70 N -1.90 -1.00 0.00 6.43 3.84 -0.52 -5.03 114.94 116.76 1ssm s ASN 70 Ca 0.38 -0.91 0.17 0.00 0.21 0.00 0.00 52.86 52.70 1ssm s ASN 70 Cb 0.20 1.30 0.73 0.00 -0.55 0.00 0.00 41.25 42.93 1ssm s ASN 70 CO 0.32 -0.07 1.53 -2.65 -2.79 0.00 0.00 177.10 173.44 1ssm n PRO 71 N 3.33 0.03 -0.09 0.43 -0.02 -1.19 -3.11 135.00 134.38 1ssm n PRO 71 Ca 0.13 0.20 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1ssm n PRO 71 Cb 0.60 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.92 1ssm n PRO 71 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ssm h SER 72 N 0.00 0.63 -0.87 2.55 4.64 -1.93 -2.68 113.55 115.90 1ssm h SER 72 Ca 0.00 -0.02 0.16 0.00 -0.47 0.00 0.00 61.79 61.46 1ssm h SER 72 Cb 0.27 -0.16 -0.16 0.00 -0.31 0.00 0.00 62.40 62.04 1ssm h SER 72 CO 0.00 0.46 -0.27 0.40 -0.87 0.00 0.00 176.83 176.55 1ssm h ILE 73 N 0.74 0.10 -0.67 0.95 2.04 -1.91 0.36 117.51 119.13 1ssm h ILE 73 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 1ssm h ILE 73 Cb -0.08 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.07 1ssm h ILE 73 CO -0.04 0.00 0.18 0.40 0.00 0.00 0.00 178.15 178.69 1ssm h ILE 74 N -0.02 1.26 -0.29 -0.67 2.04 -1.72 -1.92 117.51 116.18 1ssm h ILE 74 Ca 0.38 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1ssm h ILE 74 Cb 0.62 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1ssm h ILE 74 CO -0.90 0.35 0.10 0.44 0.00 0.00 0.00 178.15 178.15 1ssm h ASP 75 N 0.99 0.11 -0.48 1.72 3.32 -0.41 -0.00 116.42 121.67 1ssm h ASP 75 Ca 0.21 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.37 1ssm h ASP 75 Cb 0.34 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1ssm h ASP 75 CO -0.00 0.10 0.32 0.00 -1.72 0.00 0.00 179.24 177.94 1ssm h ALA 77 N 1.75 0.42 -0.42 0.00 0.00 -0.43 -1.36 119.26 119.22 1ssm h ALA 77 Ca 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ssm h ALA 77 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ssm h ALA 77 CO -0.05 0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.71 1ssm h ALA 78 N 0.79 0.54 0.00 0.00 0.00 0.88 -0.57 119.26 120.90 1ssm h ALA 78 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ssm h ALA 78 Cb 0.58 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ssm h ALA 78 CO 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.26 1ssm h ASP 80 N 0.00 0.81 -0.39 0.00 3.32 -0.05 -2.12 116.42 117.99 1ssm h ASP 80 Ca -0.00 -0.70 0.01 0.00 0.02 0.00 0.00 57.03 56.36 1ssm h ASP 80 Cb 0.16 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1ssm h ASP 80 CO 0.01 1.50 0.25 0.40 -1.72 0.00 0.00 179.24 179.68 1ssm h ILE 81 N 0.31 1.07 -0.24 0.35 2.04 -0.62 -0.77 117.51 119.65 1ssm h ILE 81 Ca -0.14 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1ssm h ILE 81 Cb 1.77 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1ssm h ILE 81 CO 0.21 0.09 0.12 1.56 0.00 0.00 0.00 178.15 180.13 1ssm h GLN 82 N 0.50 0.24 -0.06 2.37 4.20 -1.35 0.27 115.11 121.28 1ssm h GLN 82 Ca 0.15 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.88 1ssm h GLN 82 Cb -0.03 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.64 1ssm h GLN 82 CO -0.05 0.16 -0.35 0.00 -0.67 0.00 0.00 178.83 177.92 1ssm h ALA 83 N 1.12 -0.49 -0.46 3.87 0.00 -0.95 0.31 119.26 122.66 1ssm h ALA 83 Ca 0.10 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ssm h ALA 83 Cb 0.03 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1ssm h ALA 83 CO -0.07 -0.86 0.28 0.28 0.00 0.00 0.00 179.25 178.89 1ssm h VAL 84 N -0.47 1.07 -0.26 0.00 2.07 -0.97 0.24 116.25 117.93 1ssm h VAL 84 Ca 0.07 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1ssm h VAL 84 Cb 0.58 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 1ssm h VAL 84 CO -0.33 0.10 -0.07 -0.09 0.02 0.00 0.00 177.57 177.21 1ssm h ARG 85 N 0.57 -0.00 0.00 1.57 2.43 -0.08 -0.62 114.38 118.25 1ssm h ARG 85 Ca 0.18 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1ssm h ARG 85 Cb -0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1ssm h ARG 85 CO -0.07 -0.00 -0.55 1.25 -1.51 0.00 0.00 179.97 179.09 1ssm h HIS 86 N -0.00 0.00 0.00 2.20 2.76 0.08 -3.35 115.15 116.84 1ssm h HIS 86 Ca 0.13 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1ssm h HIS 86 Cb 0.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1ssm h HIS 86 CO -0.26 0.55 -1.13 0.54 -1.30 0.00 0.00 177.93 176.33 1ssm n ARG 87 N -3.29 0.27 -3.69 5.26 1.74 0.79 -4.57 116.66 113.17 1ssm n ARG 87 Ca 0.01 -0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.79 1ssm n ARG 87 Cb 0.73 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 30.50 1ssm n ARG 87 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ssm n ASP 88 N -1.90 3.37 0.10 0.55 -0.08 -0.25 -4.97 116.55 113.37 1ssm n ASP 88 Ca 0.02 -3.32 0.00 0.00 -1.51 0.00 0.00 54.79 49.98 1ssm n ASP 88 Cb 0.43 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.17 1ssm n ASP 88 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ssm n PRO 89 N 1.46 0.01 0.14 -0.67 -0.02 -1.26 0.19 135.00 134.85 1ssm n PRO 89 Ca 0.24 0.30 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1ssm n PRO 89 Cb 0.38 -2.17 0.42 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.00 1.00 -2.91 3.55 0.00 -1.93 -3.42 119.26 115.56 1ssm h ALA 90 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1ssm h ALA 90 Cb 1.31 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.92 1ssm h ALA 90 CO 0.00 0.00 -0.54 0.08 0.00 0.00 0.00 179.25 178.79 1ssm s VAL 91 N -3.22 5.10 -0.15 0.00 1.01 0.49 -4.92 120.40 118.71 1ssm s VAL 91 Ca 0.08 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1ssm s VAL 91 Cb 0.10 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 1ssm s VAL 91 CO 0.55 0.26 -0.11 -1.84 0.00 0.00 0.00 175.10 173.95 1ssm n GLU 92 N 5.03 0.58 -2.54 2.72 0.28 -1.26 -4.83 120.64 120.63 1ssm n GLU 92 Ca -0.14 0.08 -0.41 0.00 -0.16 0.00 0.00 57.16 56.53 1ssm n GLU 92 Cb 0.52 -1.30 -0.04 0.00 1.43 0.00 0.00 31.44 32.04 1ssm n GLU 92 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ssm s LEU 93 N -5.76 4.54 0.39 -1.84 1.43 -1.26 -4.96 118.68 111.22 1ssm s LEU 93 Ca -0.18 2.14 0.18 0.00 -1.03 0.00 0.00 54.13 55.23 1ssm s LEU 93 Cb 0.05 -3.61 0.79 0.00 0.03 0.00 0.00 46.19 43.44 1ssm s LEU 93 CO 0.36 -0.13 1.80 -0.50 0.23 0.00 0.00 176.35 178.11 1ssm h TRP 94 N 4.46 0.00 0.00 0.29 4.06 -1.95 -3.05 115.95 119.76 1ssm h TRP 94 Ca -0.45 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.37 1ssm h TRP 94 Cb 1.21 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.35 1ssm h TRP 94 CO 0.61 0.35 -0.60 0.66 -3.56 0.00 0.00 178.44 175.90 1ssm h SER 95 N 0.00 0.00 -0.44 -3.49 4.64 -1.91 -3.38 113.55 108.98 1ssm h SER 95 Ca -0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1ssm h SER 95 Cb 0.77 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.76 1ssm h SER 95 CO 0.05 0.60 -0.19 0.74 -0.87 0.00 0.00 176.83 177.16 1ssm h THR 96 N 0.00 0.42 -0.57 2.95 2.02 -1.94 0.15 112.91 115.93 1ssm h THR 96 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1ssm h THR 96 Cb 1.25 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1ssm h THR 96 CO 0.08 0.00 0.35 -0.65 0.37 0.00 0.00 175.52 175.67 1ssm h PRO 97 N -0.10 0.68 -0.59 6.66 0.11 -1.78 -0.80 132.00 136.19 1ssm h PRO 97 Ca 0.21 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1ssm h PRO 97 Cb 0.42 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 1ssm h PRO 97 CO -0.50 0.45 0.24 1.25 -0.21 0.00 0.00 178.00 179.22 1ssm h LEU 98 N 0.70 0.81 0.18 2.35 5.85 -1.40 -3.21 115.31 120.59 1ssm h LEU 98 Ca 0.23 -0.17 -0.27 0.00 0.84 0.00 0.00 57.88 58.51 1ssm h LEU 98 Cb 0.00 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 40.85 1ssm h LEU 98 CO -0.09 0.75 -1.24 -0.07 -0.34 0.00 0.00 178.44 177.45 1ssm h LEU 99 N 0.81 0.59 0.00 2.25 3.38 -0.84 -3.45 115.31 118.06 1ssm h LEU 99 Ca 0.20 -0.92 -0.15 0.00 0.09 0.00 0.00 57.88 57.09 1ssm h LEU 99 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ssm h LEU 99 CO -0.02 1.58 -1.56 -1.22 0.09 0.00 0.00 178.44 177.31 1ssm n TYR 100 N -3.90 0.00 -2.10 1.13 0.53 -0.32 -4.99 117.16 107.50 1ssm n TYR 100 Ca -0.18 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.28 1ssm n TYR 100 Cb 0.96 -0.38 -0.03 0.00 -1.03 0.00 0.00 39.34 38.86 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 -5.37 3.45 0.53 7.72 1.43 -1.21 -4.89 118.68 120.34 1ssm s LEU 101 Ca -0.11 0.87 0.20 0.00 -1.03 0.00 0.00 54.13 54.05 1ssm s LEU 101 Cb 0.03 -3.21 1.34 0.00 0.03 0.00 0.00 46.19 44.39 1ssm s LEU 101 CO 0.25 -1.84 2.11 0.07 0.23 0.00 0.00 176.35 177.16 1ssm h LYS 102 N 12.92 0.00 -0.04 1.70 2.10 -1.89 -1.75 116.57 129.61 1ssm h LYS 102 Ca -0.30 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1ssm h LYS 102 Cb 1.15 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1ssm h LYS 102 CO 1.10 0.00 0.02 0.78 -2.00 0.00 0.00 179.45 179.35 1ssm h GLY 103 N 0.00 0.07 0.64 0.07 0.00 -1.81 0.11 103.07 102.15 1ssm h GLY 103 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.42 1ssm h GLY 103 CO -0.00 0.03 0.14 -2.75 0.00 0.00 0.00 176.54 173.96 1ssm h PHE 104 N -0.09 0.24 -0.79 5.60 3.57 -1.54 -0.53 116.94 123.41 1ssm h PHE 104 Ca 0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1ssm h PHE 104 Cb 0.16 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1ssm h PHE 104 CO -0.02 0.09 0.51 0.45 -2.23 0.00 0.00 178.31 177.11 1ssm h HIS 105 N 0.29 0.96 -0.48 0.41 3.86 -1.00 -0.87 115.15 118.33 1ssm h HIS 105 Ca 0.18 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1ssm h HIS 105 Cb 0.17 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1ssm h HIS 105 CO -0.15 0.57 0.02 0.00 0.86 0.00 0.00 177.93 179.23 1ssm h ALA 106 N 1.32 0.64 0.27 2.45 0.00 -0.33 0.23 119.26 123.84 1ssm h ALA 106 Ca 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ssm h ALA 106 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ssm h ALA 106 CO -0.10 0.43 -0.23 0.82 0.00 0.00 0.00 179.25 180.17 1ssm h ILE 107 N 0.69 0.51 -0.32 0.00 2.04 -0.58 0.51 117.51 120.36 1ssm h ILE 107 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1ssm h ILE 107 Cb 0.48 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1ssm h ILE 107 CO 0.02 0.00 0.01 1.56 0.00 0.00 0.00 178.15 179.74 1ssm h GLN 108 N -0.52 0.48 -0.15 2.37 1.08 -1.01 -1.26 115.11 116.10 1ssm h GLN 108 Ca -0.01 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 56.99 1ssm h GLN 108 Cb 0.46 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1ssm h GLN 108 CO -0.02 0.50 -0.35 0.77 -0.95 0.00 0.00 178.83 178.77 1ssm h SER 109 N 0.46 0.33 -0.56 1.46 0.02 -0.16 -2.83 113.55 112.27 1ssm h SER 109 Ca 0.10 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1ssm h SER 109 Cb 0.29 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1ssm h SER 109 CO 0.01 0.66 0.10 0.22 -1.14 0.00 0.00 176.83 176.68 1ssm h TYR 110 N 0.27 0.97 -0.82 3.45 3.20 0.18 -2.44 116.97 121.78 1ssm h TYR 110 Ca 0.03 -0.13 0.15 0.00 3.14 0.00 0.00 58.73 61.92 1ssm h TYR 110 Cb 0.75 -0.27 -0.10 0.00 1.54 0.00 0.00 36.73 38.66 1ssm h TYR 110 CO 0.02 0.85 0.40 0.00 -1.64 0.00 0.00 178.16 177.79 1ssm h ARG 111 N 0.81 0.55 -0.88 1.82 3.08 -1.04 0.37 114.38 119.09 1ssm h ARG 111 Ca 0.17 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1ssm h ARG 111 Cb 0.40 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1ssm h ARG 111 CO 0.01 0.36 0.44 0.82 -1.07 0.00 0.00 179.97 180.53 1ssm h ILE 112 N 0.56 1.26 -0.10 2.04 2.04 -1.35 -1.42 117.51 120.54 1ssm h ILE 112 Ca 0.45 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1ssm h ILE 112 Cb 0.67 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1ssm h ILE 112 CO -0.38 0.31 -0.42 0.71 0.00 0.00 0.00 178.15 178.37 1ssm h THR 113 N 1.24 1.31 -0.38 -0.27 1.35 0.03 -2.02 112.91 114.18 1ssm h THR 113 Ca 0.30 -1.53 -0.08 0.00 -0.55 0.00 0.00 66.41 64.56 1ssm h THR 113 Cb 0.08 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1ssm h THR 113 CO -0.04 0.46 -0.08 -0.74 -0.25 0.00 0.00 175.52 174.87 1ssm h HIS 114 N 0.19 0.81 0.13 4.73 6.17 -0.34 0.22 115.15 127.06 1ssm h HIS 114 Ca 0.02 -0.17 0.01 0.00 0.71 0.00 0.00 60.37 60.93 1ssm h HIS 114 Cb 0.82 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.54 1ssm h HIS 114 CO 0.01 0.85 -0.14 -0.92 0.71 0.00 0.00 177.93 178.45 1ssm h TYR 115 N 0.52 -0.37 -0.69 5.26 3.20 -1.11 0.82 116.97 124.60 1ssm h TYR 115 Ca 0.10 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.99 1ssm h TYR 115 Cb 0.58 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1ssm h TYR 115 CO 0.05 -0.22 0.44 -0.07 -1.64 0.00 0.00 178.16 176.72 1ssm h LEU 116 N -0.31 0.74 -0.05 2.82 3.38 -1.22 -0.57 115.31 120.10 1ssm h LEU 116 Ca 0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ssm h LEU 116 Cb 0.30 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1ssm h LEU 116 CO -0.04 0.52 -0.11 -0.25 0.09 0.00 0.00 178.44 178.65 1ssm h TRP 117 N 0.88 -0.27 0.00 1.13 2.91 -0.14 0.42 115.95 120.88 1ssm h TRP 117 Ca 0.27 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.30 1ssm h TRP 117 Cb -0.02 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1ssm h TRP 117 CO -0.04 -0.16 0.00 -0.91 -1.03 0.00 0.00 178.44 176.30 1ssm h ASN 118 N -0.16 0.00 -0.24 2.65 2.35 -0.42 0.42 115.58 120.18 1ssm h ASN 118 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1ssm h ASN 118 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1ssm h ASN 118 CO -0.14 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.64 1ssm n GLN 119 N -2.74 2.00 -1.53 0.81 1.13 -0.03 -4.92 117.38 112.10 1ssm n GLN 119 Ca -0.01 -1.51 -0.10 0.00 -1.94 0.00 0.00 57.00 53.45 1ssm n GLN 119 Cb 0.13 -1.43 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 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 0.73 -3.92 -4.13 1.08 5.15 0.15 -4.92 115.26 109.39 1ssm n ASN 120 Ca 0.17 0.17 -0.40 0.00 -0.60 0.00 0.00 54.58 53.92 1ssm n ASN 120 Cb 0.42 -2.52 -0.03 0.00 -0.53 0.00 0.00 39.78 37.12 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 -2.50 3.27 0.08 1.20 1.74 -0.24 -4.82 116.66 115.39 1ssm n ARG 121 Ca -0.10 -4.50 -0.11 0.00 -0.77 0.00 0.00 57.85 52.37 1ssm n ARG 121 Cb 0.39 -2.47 -0.06 0.00 -1.02 0.00 0.00 32.46 29.30 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 6.02 0.21 0.00 5.56 1.57 -1.88 -2.40 116.57 125.65 1ssm h LYS 122 Ca 0.18 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1ssm h LYS 122 Cb 0.79 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1ssm h LYS 122 CO 0.99 1.05 -0.60 0.66 -0.57 0.00 0.00 179.45 180.98 1ssm h SER 123 N 0.09 0.00 0.87 0.86 4.64 -1.98 0.22 113.55 118.26 1ssm h SER 123 Ca -0.07 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.07 1ssm h SER 123 Cb 1.68 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.74 1ssm h SER 123 CO 0.15 0.60 -0.87 0.25 -0.87 0.00 0.00 176.83 176.09 1ssm h LEU 124 N 0.00 0.00 -0.37 5.97 5.85 -1.96 -1.54 115.31 123.27 1ssm h LEU 124 Ca -0.01 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 1ssm h LEU 124 Cb 1.07 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1ssm h LEU 124 CO 0.08 0.88 -0.46 0.00 -0.34 0.00 0.00 178.44 178.59 1ssm h ALA 125 N 1.12 0.54 -0.58 1.25 0.00 -1.04 -2.70 119.26 117.86 1ssm h ALA 125 Ca -0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 1ssm h ALA 125 Cb 1.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1ssm h ALA 125 CO 0.11 0.68 -0.04 -0.07 0.00 0.00 0.00 179.25 179.93 1ssm h LEU 126 N 0.71 1.04 -0.48 0.00 3.38 -0.39 -0.73 115.31 118.83 1ssm h LEU 126 Ca 0.04 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1ssm h LEU 126 Cb 1.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1ssm h LEU 126 CO 0.11 1.11 0.23 0.22 0.09 0.00 0.00 178.44 180.20 1ssm h TYR 127 N 0.94 0.43 -0.15 1.13 3.20 -1.20 -1.37 116.97 119.94 1ssm h TYR 127 Ca 0.16 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.87 1ssm h TYR 127 Cb 0.61 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.76 1ssm h TYR 127 CO 0.04 0.20 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.09 1ssm h LEU 128 N 0.46 0.78 -0.46 2.82 3.38 -1.41 -1.36 115.31 119.53 1ssm h LEU 128 Ca 0.22 -0.62 0.09 0.00 0.09 0.00 0.00 57.88 57.66 1ssm h LEU 128 Cb 0.14 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1ssm h LEU 128 CO -0.16 1.27 -0.28 -0.61 0.09 0.00 0.00 178.44 178.75 1ssm h GLN 129 N 0.34 -0.17 -0.01 1.13 4.15 -0.85 0.43 115.11 120.13 1ssm h GLN 129 Ca -0.03 0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.25 1ssm h GLN 129 Cb 1.23 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.94 1ssm h GLN 129 CO 0.13 -0.11 -0.68 -0.91 -1.93 0.00 0.00 178.83 175.33 1ssm h ASN 130 N -0.18 0.05 0.73 -0.69 2.35 -1.16 -2.14 115.58 114.54 1ssm h ASN 130 Ca 0.21 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 1ssm h ASN 130 Cb 0.51 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1ssm h ASN 130 CO -0.57 0.71 -0.50 -0.61 -1.65 0.00 0.00 177.43 174.82 1ssm h GLN 131 N 0.03 0.00 -0.39 0.81 5.75 -0.16 -1.71 115.11 119.43 1ssm h GLN 131 Ca -0.01 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.39 1ssm h GLN 131 Cb 1.20 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 1ssm h GLN 131 CO 0.09 0.50 -0.15 0.82 -2.65 0.00 0.00 178.83 177.43 1ssm h ILE 132 N 0.00 1.26 -0.15 2.39 2.04 0.21 -0.07 117.51 123.19 1ssm h ILE 132 Ca -0.00 -1.21 -0.10 0.00 1.00 0.00 0.00 64.86 64.55 1ssm h ILE 132 Cb 1.00 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1ssm h ILE 132 CO 0.06 0.41 -0.34 -1.28 0.00 0.00 0.00 178.15 177.00 1ssm h SER 133 N 0.65 0.31 -0.03 1.72 0.87 -0.70 0.53 113.55 116.90 1ssm h SER 133 Ca 0.10 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 1ssm h SER 133 Cb 0.63 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1ssm h SER 133 CO 0.04 0.64 -0.39 0.58 -0.53 0.00 0.00 176.83 177.17 1ssm h VAL 134 N 0.26 1.46 -0.08 2.23 2.07 -0.85 -0.38 116.25 120.96 1ssm h VAL 134 Ca 0.03 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.58 1ssm h VAL 134 Cb 0.74 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1ssm h VAL 134 CO 0.06 0.54 -0.19 0.00 0.02 0.00 0.00 177.57 178.00 1ssm h ALA 135 N 0.34 0.13 0.00 1.67 0.00 -0.93 -3.37 119.26 117.09 1ssm h ALA 135 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ssm h ALA 135 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ssm h ALA 135 CO 0.08 0.07 -0.82 1.19 0.00 0.00 0.00 179.25 179.77 1ssm n PHE 136 N -4.55 0.00 -2.84 0.00 0.99 0.16 -4.99 117.46 106.24 1ssm n PHE 136 Ca -0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.22 1ssm n PHE 136 Cb 0.41 -0.06 0.03 0.00 -1.00 0.00 0.00 39.48 38.86 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 -4.64 -4.09 4.37 4.64 -0.15 -4.59 116.55 110.65 1ssm n ASP 137 Ca 0.01 -0.22 -0.27 0.00 -1.38 0.00 0.00 54.79 52.94 1ssm n ASP 137 Cb 0.23 -3.46 -0.17 0.00 -1.04 0.00 0.00 41.12 36.69 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 -3.00 1.42 -0.27 5.18 1.01 -1.25 -1.05 120.40 122.44 1ssm s VAL 138 Ca 0.23 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1ssm s VAL 138 Cb -0.10 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.08 1ssm s VAL 138 CO 0.29 0.42 -0.08 -0.62 0.00 0.00 0.00 175.10 175.11 1ssm s ASP 139 N 0.50 4.47 -0.18 3.32 3.68 -0.60 -2.70 116.67 125.16 1ssm s ASP 139 Ca -0.15 -1.52 0.01 0.00 2.13 0.00 0.00 52.55 53.03 1ssm s ASP 139 Cb -0.16 -1.54 0.02 0.00 -1.45 0.00 0.00 42.92 39.79 1ssm s ASP 139 CO 0.05 -0.23 -0.20 -0.63 0.13 0.00 0.00 175.17 174.30 1ssm s ILE 140 N 1.08 2.11 0.30 4.11 1.01 -1.26 0.23 121.20 128.79 1ssm s ILE 140 Ca -0.05 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 1ssm s ILE 140 Cb -0.20 -1.88 -0.10 0.00 0.01 0.00 0.00 42.46 40.29 1ssm s ILE 140 CO -0.06 0.54 1.35 -2.28 0.00 0.00 0.00 174.94 174.49 1ssm s HIS 141 N 1.24 3.04 0.58 3.97 5.65 -0.62 -4.87 115.29 124.28 1ssm s HIS 141 Ca 0.04 1.30 0.28 0.00 0.25 0.00 0.00 55.06 56.92 1ssm s HIS 141 Cb -0.13 -3.72 1.52 0.00 -1.18 0.00 0.00 32.58 29.06 1ssm s HIS 141 CO -0.11 -2.10 1.98 -1.35 -0.65 0.00 0.00 174.74 172.51 1ssm h PRO 142 N 3.92 0.00 0.00 2.88 0.11 -1.88 -2.52 132.00 134.51 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 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ssm h PRO 142 CO 0.69 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 1ssm n ALA 143 N -2.41 2.10 -1.48 -0.75 0.00 -1.26 -4.15 120.51 112.55 1ssm n ALA 143 Ca 0.07 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 1ssm n ALA 143 Cb 0.55 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.68 1ssm n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ssm s ALA 144 N -2.94 2.34 -0.31 0.00 0.00 -0.95 -4.76 121.76 115.13 1ssm s ALA 144 Ca 0.13 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 1ssm s ALA 144 Cb 0.16 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1ssm s ALA 144 CO 0.42 -1.50 0.13 0.15 0.00 0.00 0.00 175.76 174.96 1ssm s LYS 145 N -3.88 3.14 -0.11 0.00 1.02 -0.93 -5.00 119.74 113.99 1ssm s LYS 145 Ca 0.72 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.89 1ssm s LYS 145 Cb -0.26 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.57 1ssm s LYS 145 CO 0.41 -0.47 -0.17 0.42 -0.92 0.00 0.00 175.35 174.61 1ssm s ILE 146 N 1.55 1.64 0.00 2.17 1.01 -1.26 0.57 121.20 126.88 1ssm s ILE 146 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1ssm s ILE 146 Cb -0.17 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1ssm s ILE 146 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1ssm n GLY 147 N 4.00 -0.86 3.80 6.18 0.00 0.34 -4.98 105.19 113.68 1ssm n GLY 147 Ca -0.20 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 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 1.76 -0.76 1.61 -3.43 -1.26 -4.70 115.29 108.51 1ssm s HIS 148 Ca 0.00 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.30 1ssm s HIS 148 Cb 0.00 -1.65 0.00 0.00 -1.43 0.00 0.00 32.58 29.50 1ssm s HIS 148 CO 0.00 0.09 0.00 0.41 -2.00 0.00 0.00 174.74 173.24 1ssm n GLY 149 N -1.37 0.69 0.00 -1.38 0.00 -1.25 -1.06 105.19 100.81 1ssm n GLY 149 Ca -0.18 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.16 0.00 -2.76 -0.61 2.08 -1.26 -3.39 119.36 110.27 1ssm n ILE 150 Ca -0.08 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.25 1ssm n ILE 150 Cb 0.35 -1.74 0.01 0.00 -0.75 0.00 0.00 39.64 37.50 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 -0.43 -0.28 0.04 1.39 2.99 -1.26 -4.68 117.98 115.75 1ssm s PHE 152 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 56.93 56.68 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 0.00 -0.19 1.05 0.34 -0.00 0.00 0.00 175.22 176.42 1ssm s ASP 153 N 2.01 7.29 0.00 1.36 2.15 -0.52 -3.95 116.67 125.02 1ssm s ASP 153 Ca 0.15 1.81 0.00 0.00 0.43 0.00 0.00 52.55 54.94 1ssm s ASP 153 Cb 0.03 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1ssm s ASP 153 CO -0.16 -0.30 0.00 1.41 -0.17 0.00 0.00 175.17 175.95 1ssm n HIS 154 N 3.70 0.00 0.00 -5.34 8.25 -1.26 -2.97 115.22 117.61 1ssm n HIS 154 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1ssm n HIS 154 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.60 -1.41 0.00 -1.25 -4.58 120.51 111.67 1ssm n ALA 155 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.88 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 -0.49 0.05 -1.03 0.00 -1.04 -1.26 -2.25 114.28 108.26 1ssm n THR 156 Ca 0.00 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 1ssm n THR 156 Cb 0.00 -0.62 -0.00 0.00 -1.82 0.00 0.00 70.33 67.89 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 2.61 0.49 3.74 3.41 0.00 -0.22 -0.37 105.19 114.85 1ssm n GLY 157 Ca 0.21 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.97 4.06 -0.05 -0.61 1.01 -0.95 -4.06 121.20 118.62 1ssm s ILE 158 Ca 0.00 1.85 0.02 0.00 0.00 0.00 0.00 60.65 62.51 1ssm s ILE 158 Cb 0.00 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1ssm s ILE 158 CO 0.00 0.35 -0.09 -0.69 0.00 0.00 0.00 174.94 174.51 1ssm s VAL 159 N -0.47 0.86 -0.13 2.92 1.01 -0.73 -1.56 120.40 122.29 1ssm s VAL 159 Ca 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1ssm s VAL 159 Cb -0.27 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1ssm s VAL 159 CO 0.33 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.91 1ssm s VAL 160 N 0.75 1.42 0.73 2.92 1.01 0.14 -0.06 120.40 127.30 1ssm s VAL 160 Ca -0.13 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1ssm s VAL 160 Cb -0.15 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.93 1ssm s VAL 160 CO 0.02 0.43 1.18 -0.83 0.00 0.00 0.00 175.10 175.91 1ssm s GLY 161 N 1.42 2.27 0.29 4.51 0.00 0.83 -1.59 107.32 115.05 1ssm s GLY 161 Ca 0.02 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1ssm s GLY 161 CO -0.08 1.20 1.61 -2.09 0.00 0.00 0.00 173.10 173.74 1ssm h GLU 162 N -0.33 0.09 -0.65 2.90 4.81 -1.89 -0.68 114.58 118.83 1ssm h GLU 162 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1ssm h GLU 162 Cb 1.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1ssm h GLU 162 CO 0.50 0.06 0.00 0.25 -0.73 0.00 0.00 179.01 179.09 1ssm n THR 163 N -5.36 1.92 -1.68 0.32 -2.24 -1.26 -2.30 114.28 103.68 1ssm n THR 163 Ca 0.21 -1.22 -0.33 0.00 -2.27 0.00 0.00 64.05 60.44 1ssm n THR 163 Cb 0.70 0.10 0.05 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.90 4.99 -0.03 3.42 0.01 -0.26 -4.50 113.70 116.43 1ssm s SER 164 Ca 0.52 2.00 0.03 0.00 1.31 0.00 0.00 55.95 59.81 1ssm s SER 164 Cb 0.34 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 64.02 1ssm s SER 164 CO 0.24 -1.71 -0.12 -0.69 0.41 0.00 0.00 173.24 171.38 1ssm s VAL 165 N -2.39 1.00 -0.11 3.43 1.01 -0.75 -2.19 120.40 120.40 1ssm s VAL 165 Ca 0.67 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1ssm s VAL 165 Cb -0.20 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1ssm s VAL 165 CO 0.43 0.30 -0.08 -0.63 0.00 0.00 0.00 175.10 175.12 1ssm s ILE 166 N 0.09 1.06 0.60 2.22 1.01 0.19 -0.32 121.20 126.06 1ssm s ILE 166 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1ssm s ILE 166 Cb -0.09 -1.06 0.13 0.00 0.01 0.00 0.00 42.46 41.45 1ssm s ILE 166 CO 0.01 0.37 0.83 -0.62 0.00 0.00 0.00 174.94 175.52 1ssm n GLU 167 N 4.84 -0.29 -0.79 2.79 1.02 0.04 -0.50 120.64 127.75 1ssm n GLU 167 Ca -0.14 -1.83 -0.31 0.00 -0.02 0.00 0.00 57.16 54.86 1ssm n GLU 167 Cb 0.50 -0.68 0.16 0.00 -0.02 0.00 0.00 31.44 31.40 1ssm n GLU 167 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1ssm s ASN 168 N -4.21 3.08 -1.10 1.62 0.01 -1.26 -3.92 114.94 109.15 1ssm s ASN 168 Ca 0.51 2.21 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 1ssm s ASN 168 Cb -0.02 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1ssm s ASN 168 CO 0.35 -3.00 0.00 0.47 -1.51 0.00 0.00 177.10 173.41 1ssm n ASP 169 N -4.05 -4.03 -4.83 -1.22 8.00 -0.23 -2.19 116.55 108.00 1ssm n ASP 169 Ca 0.12 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.45 1ssm n ASP 169 Cb 0.52 -3.42 -0.06 0.00 -0.02 0.00 0.00 41.12 38.14 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 -2.64 4.74 -0.09 2.53 1.01 -1.25 -3.70 120.40 121.00 1ssm s VAL 170 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.02 1ssm s VAL 170 Cb 0.00 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1ssm s VAL 170 CO 0.00 0.21 -0.18 -0.44 0.00 0.00 0.00 175.10 174.69 1ssm s SER 171 N -1.72 2.55 -0.05 3.32 0.01 -0.20 -4.42 113.70 113.20 1ssm s SER 171 Ca 0.41 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.24 1ssm s SER 171 Cb -0.15 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1ssm s SER 171 CO 0.20 0.08 -0.15 -0.63 0.41 0.00 0.00 173.24 173.15 1ssm s ILE 172 N 0.62 1.28 0.59 1.44 1.01 -1.26 -0.02 121.20 124.85 1ssm s ILE 172 Ca -0.14 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1ssm s ILE 172 Cb -0.16 -1.12 0.08 0.00 0.01 0.00 0.00 42.46 41.27 1ssm s ILE 172 CO 0.04 0.38 0.81 -0.76 0.00 0.00 0.00 174.94 175.41 1ssm s LEU 173 N 0.21 3.16 0.66 2.97 1.43 -0.75 -1.43 118.68 124.92 1ssm s LEU 173 Ca -0.07 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 1ssm s LEU 173 Cb -0.12 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1ssm s LEU 173 CO 0.02 -1.38 0.93 0.00 0.23 0.00 0.00 176.35 176.16 1ssm n GLN 174 N -2.33 0.70 -0.98 1.70 0.00 -1.16 -3.67 117.38 111.64 1ssm n GLN 174 Ca 0.14 0.29 0.00 0.00 0.00 0.00 0.00 57.00 57.43 1ssm n GLN 174 Cb 0.61 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 28.69 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 1.26 0.21 3.88 2.61 0.00 0.50 -0.77 105.19 112.87 1ssm n GLY 175 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.44 4.99 -0.03 1.61 -7.23 -1.24 -3.84 120.40 113.22 1ssm s VAL 176 Ca 0.00 0.38 0.07 0.00 -1.81 0.00 0.00 61.98 60.62 1ssm s VAL 176 Cb 0.00 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1ssm s VAL 176 CO 0.00 -0.01 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.64 1ssm s THR 177 N -1.74 1.99 -0.60 5.32 2.01 -0.44 -1.77 115.64 120.41 1ssm s THR 177 Ca 0.45 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.39 1ssm s THR 177 Cb -0.12 -1.66 0.15 0.00 0.01 0.00 0.00 72.50 70.89 1ssm s THR 177 CO 0.22 0.56 0.39 -0.76 -0.69 0.00 0.00 174.62 174.33 1ssm s LEU 178 N -0.43 4.84 0.00 4.42 1.43 0.91 -0.32 118.68 129.53 1ssm s LEU 178 Ca 0.05 -3.03 0.00 0.00 -1.03 0.00 0.00 54.13 50.11 1ssm s LEU 178 Cb -0.11 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1ssm s LEU 178 CO 0.01 -0.28 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1ssm n GLY 179 N 3.17 6.72 3.78 -3.19 0.00 0.42 -0.12 105.19 115.97 1ssm n GLY 179 Ca 0.08 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 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 1.94 -0.17 -0.02 0.00 -1.26 -1.62 107.32 106.19 1ssm s GLY 180 Ca 0.00 -1.80 -0.14 0.00 0.00 0.00 0.00 44.72 42.78 1ssm s GLY 180 CO 0.00 -1.71 0.27 2.41 0.00 0.00 0.00 173.10 174.08 1ssm n THR 181 N -1.26 1.66 0.00 0.90 -1.04 -1.26 -4.54 114.28 108.73 1ssm n THR 181 Ca -0.02 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 1ssm n THR 181 Cb 0.61 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1ssm n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ssm n GLY 182 N 1.71 0.38 3.53 3.41 0.00 -1.26 -5.06 105.19 107.90 1ssm n GLY 182 Ca -0.33 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1ssm n GLY 182 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ssm n LYS 183 N 0.00 0.52 0.17 1.61 -0.00 -1.26 -4.76 118.16 114.45 1ssm n LYS 183 Ca 0.00 -0.08 0.17 0.00 -0.00 0.00 0.00 58.31 58.40 1ssm n LYS 183 Cb 0.00 -2.55 0.66 0.00 -0.00 0.00 0.00 35.03 33.14 1ssm n LYS 183 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1ssm h GLU 184 N 15.49 0.00 -3.78 -1.58 4.39 -2.01 -3.44 114.58 123.65 1ssm h GLU 184 Ca -0.12 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1ssm h GLU 184 Cb 1.25 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.75 1ssm h GLU 184 CO 1.27 0.00 -0.39 -1.54 -1.16 0.00 0.00 179.01 177.19 1ssm s SER 185 N -4.53 0.12 0.00 1.42 1.04 -1.26 -5.13 113.70 105.36 1ssm s SER 185 Ca -0.03 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1ssm s SER 185 Cb 0.11 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1ssm s SER 185 CO 0.38 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1ssm n GLY 186 N 0.11 -1.92 3.60 7.32 0.00 -1.26 -4.84 105.19 108.20 1ssm n GLY 186 Ca -0.16 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.69 5.73 0.00 1.61 -1.08 -1.26 -4.74 116.67 113.25 1ssm s ASP 187 Ca 0.00 1.47 0.00 0.00 -0.52 0.00 0.00 52.55 53.50 1ssm s ASP 187 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1ssm s ASP 187 CO 0.00 -1.81 0.56 -2.11 0.52 0.00 0.00 175.17 172.33 1ssm n ARG 188 N 8.54 0.00 -4.36 4.34 1.85 -1.26 -4.67 116.66 121.11 1ssm n ARG 188 Ca 0.25 -0.53 -0.27 0.00 -1.00 0.00 0.00 57.85 56.30 1ssm n ARG 188 Cb 0.46 -0.41 -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 2.46 0.80 2.89 3.76 -1.25 -3.10 115.29 120.85 1ssm s HIS 189 Ca 0.00 -0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 54.47 1ssm s HIS 189 Cb 0.00 -1.21 0.03 0.00 1.11 0.00 0.00 32.58 32.51 1ssm s HIS 189 CO 0.00 0.51 0.84 -2.30 -0.85 0.00 0.00 174.74 172.94 1ssm n PRO 190 N 0.15 0.17 -3.84 8.40 -0.02 0.12 -3.97 135.00 136.00 1ssm n PRO 190 Ca -0.12 0.12 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1ssm n PRO 190 Cb 0.56 -2.13 -0.12 0.00 -0.02 0.00 0.00 33.50 31.78 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 -3.55 1.96 -0.46 -0.52 3.01 -0.30 -1.82 119.74 118.06 1ssm s LYS 191 Ca 0.68 -2.02 -0.22 0.00 -1.01 0.00 0.00 55.97 53.40 1ssm s LYS 191 Cb -0.30 -3.50 0.03 0.00 -1.01 0.00 0.00 37.83 33.05 1ssm s LYS 191 CO 0.56 -1.06 0.75 0.08 0.51 0.00 0.00 175.35 176.19 1ssm s VAL 192 N 0.77 4.68 0.86 3.17 1.01 0.57 -1.36 120.40 130.10 1ssm s VAL 192 Ca 0.11 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1ssm s VAL 192 Cb -0.22 -4.32 0.11 0.00 0.00 0.00 0.00 36.38 31.95 1ssm s VAL 192 CO -0.05 -0.74 1.17 -0.13 0.00 0.00 0.00 175.10 175.35 1ssm s ARG 193 N 3.19 1.57 0.63 2.72 1.81 -0.80 -0.78 118.95 127.30 1ssm s ARG 193 Ca 0.27 0.15 -0.18 0.00 -1.72 0.00 0.00 55.73 54.25 1ssm s ARG 193 Cb -0.13 -1.90 -0.05 0.00 -0.45 0.00 0.00 34.95 32.42 1ssm s ARG 193 CO 0.21 -1.87 0.81 -0.85 -0.68 0.00 0.00 175.30 172.91 1ssm n GLU 194 N -3.52 0.68 -0.68 3.54 0.28 -1.26 -2.60 120.64 117.08 1ssm n GLU 194 Ca 0.08 0.27 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 1ssm n GLU 194 Cb 0.60 -2.03 0.00 0.00 1.43 0.00 0.00 31.44 31.45 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 1.43 0.28 0.00 -1.84 0.00 -0.93 0.03 105.19 104.16 1ssm n GLY 195 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.41 1.61 0.31 -1.07 -3.90 118.33 109.85 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 0.03 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.10 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 -0.20 -0.41 0.70 2.52 1.01 0.97 -1.03 121.20 124.77 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 1.15 -0.83 0.00 0.00 0.00 174.94 175.26 1ssm s GLY 199 N 2.29 2.19 0.24 6.18 0.00 0.23 -1.81 107.32 116.63 1ssm s GLY 199 Ca -0.03 0.67 -0.31 0.00 0.00 0.00 0.00 44.72 45.05 1ssm s GLY 199 CO -0.17 1.04 1.27 0.00 0.00 0.00 0.00 173.10 175.24 1ssm n ALA 200 N -2.66 0.42 -0.89 3.20 0.00 -1.26 -2.32 120.51 117.00 1ssm n ALA 200 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ssm n ALA 200 Cb 0.51 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 1.84 0.74 3.75 0.00 0.00 0.05 -0.94 105.19 110.64 1ssm n GLY 201 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.21 3.58 -0.28 4.61 0.00 -0.98 -4.00 121.76 121.48 1ssm s ALA 202 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 1ssm s ALA 202 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1ssm s ALA 202 CO 0.00 -0.67 0.04 0.15 0.00 0.00 0.00 175.76 175.28 1ssm s LYS 203 N -0.49 3.04 -0.29 0.00 -0.14 0.56 -1.32 119.74 121.09 1ssm s LYS 203 Ca 0.57 -0.88 -0.05 0.00 -1.36 0.00 0.00 55.97 54.26 1ssm s LYS 203 Cb -0.40 -3.27 0.03 0.00 -1.68 0.00 0.00 37.83 32.51 1ssm s LYS 203 CO 0.43 -0.42 0.04 0.42 -0.76 0.00 0.00 175.35 175.06 1ssm s ILE 204 N 1.46 3.50 -0.07 2.17 1.01 0.56 -0.21 121.20 129.62 1ssm s ILE 204 Ca 0.02 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1ssm s ILE 204 Cb -0.17 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 1ssm s ILE 204 CO 0.01 0.02 -0.24 -0.76 0.00 0.00 0.00 174.94 173.97 1ssm s LEU 205 N 1.40 2.06 0.00 2.97 1.43 -0.80 -0.44 118.68 125.30 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 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1ssm s LEU 205 CO 0.00 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1ssm n GLY 206 N 3.15 2.00 3.35 -3.19 0.00 -0.64 -4.52 105.19 105.35 1ssm n GLY 206 Ca -0.18 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.37 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 4.98 -4.26 1.61 5.15 -1.18 0.10 115.26 121.67 1ssm n ASN 207 Ca 0.00 -2.96 -0.19 0.00 -0.60 0.00 0.00 54.58 50.83 1ssm n ASN 207 Cb 0.00 -1.63 -0.11 0.00 -0.53 0.00 0.00 39.78 37.51 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 2.43 1.41 -0.05 -1.44 -4.36 -1.26 -4.94 121.20 113.00 1ssm s ILE 208 Ca 0.46 -1.75 -0.22 0.00 -0.26 0.00 0.00 60.65 58.88 1ssm s ILE 208 Cb 0.03 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.11 1ssm s ILE 208 CO 0.02 -0.40 0.65 -1.61 0.24 0.00 0.00 174.94 173.84 1ssm s GLU 209 N -2.70 4.40 -0.53 0.37 0.41 -1.26 -1.15 118.70 118.24 1ssm s GLU 209 Ca 0.10 0.81 -0.03 0.00 -0.41 0.00 0.00 54.97 55.44 1ssm s GLU 209 Cb -0.05 -3.41 0.14 0.00 -1.78 0.00 0.00 34.13 29.03 1ssm s GLU 209 CO 0.04 0.17 0.35 0.08 -0.49 0.00 0.00 175.26 175.40 1ssm s VAL 210 N 0.46 3.61 0.34 2.63 1.01 -0.47 0.38 120.40 128.37 1ssm s VAL 210 Ca 0.35 -2.51 -0.25 0.00 0.00 0.00 0.00 61.98 59.56 1ssm s VAL 210 Cb -0.18 -3.40 -0.14 0.00 0.00 0.00 0.00 36.38 32.66 1ssm s VAL 210 CO 0.17 -0.80 0.66 0.61 0.00 0.00 0.00 175.10 175.74 1ssm n GLY 211 N 4.03 -1.23 3.56 4.51 0.00 0.19 -1.90 105.19 114.35 1ssm n GLY 211 Ca 0.03 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 0.72 1.12 -1.39 1.61 2.85 -1.26 -1.99 118.16 119.82 1ssm n LYS 212 Ca 0.12 0.40 -0.14 0.00 -1.05 0.00 0.00 58.31 57.64 1ssm n LYS 212 Cb 0.35 -1.82 -0.06 0.00 -0.65 0.00 0.00 35.03 32.85 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 -0.35 0.00 -1.48 5.58 4.02 0.10 -1.35 117.16 123.68 1ssm n TYR 213 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.69 1ssm n TYR 213 Cb 0.37 -2.93 0.08 0.00 -0.02 0.00 0.00 39.34 36.84 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 -2.17 2.30 -0.09 -0.72 0.00 -0.84 -3.96 121.76 116.28 1ssm s ALA 214 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.96 1ssm s ALA 214 Cb 0.00 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1ssm s ALA 214 CO 0.00 -1.65 -0.24 0.15 0.00 0.00 0.00 175.76 174.02 1ssm s LYS 215 N -5.07 2.93 -0.22 0.00 3.01 0.33 -4.51 119.74 116.22 1ssm s LYS 215 Ca 0.60 -0.88 -0.04 0.00 -1.01 0.00 0.00 55.97 54.65 1ssm s LYS 215 Cb -0.15 -2.28 -0.00 0.00 -1.01 0.00 0.00 37.83 34.39 1ssm s LYS 215 CO 0.55 0.24 -0.05 0.42 0.51 0.00 0.00 175.35 177.02 1ssm s ILE 216 N 0.20 3.29 0.65 2.17 -1.09 -1.26 -1.53 121.20 123.63 1ssm s ILE 216 Ca -0.14 -0.55 -0.17 0.00 -2.23 0.00 0.00 60.65 57.55 1ssm s ILE 216 Cb -0.17 -2.51 -0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1ssm s ILE 216 CO 0.07 0.41 1.22 -0.83 -1.23 0.00 0.00 174.94 174.58 1ssm s GLY 217 N 1.46 2.61 0.32 6.18 0.00 -0.31 -0.60 107.32 116.98 1ssm s GLY 217 Ca 0.05 0.99 -0.28 0.00 0.00 0.00 0.00 44.72 45.48 1ssm s GLY 217 CO -0.04 1.39 1.22 0.00 0.00 0.00 0.00 173.10 175.68 1ssm n ALA 218 N -2.06 0.86 -0.67 3.20 0.00 -1.26 -2.16 120.51 118.41 1ssm n ALA 218 Ca 0.14 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1ssm n ALA 218 Cb 0.50 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 1.01 -1.57 -4.72 0.00 4.13 -0.11 -4.78 115.26 109.21 1ssm n ASN 219 Ca 0.07 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.99 1ssm n ASN 219 Cb 0.34 -2.51 0.09 0.00 -1.54 0.00 0.00 39.78 36.16 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 -2.07 4.20 -0.26 6.41 0.01 -0.92 -4.68 113.70 116.39 1ssm s SER 220 Ca 0.00 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.58 1ssm s SER 220 Cb 0.00 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.69 1ssm s SER 220 CO 0.00 -2.26 -0.07 -0.69 0.41 0.00 0.00 173.24 170.63 1ssm s VAL 221 N -2.05 2.60 -0.35 3.43 1.01 -0.90 -0.32 120.40 123.82 1ssm s VAL 221 Ca 0.73 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1ssm s VAL 221 Cb -0.28 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1ssm s VAL 221 CO 0.46 0.07 0.22 -0.69 0.00 0.00 0.00 175.10 175.16 1ssm s VAL 222 N 1.23 4.96 -0.13 2.92 1.01 0.71 0.75 120.40 131.84 1ssm s VAL 222 Ca -0.04 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1ssm s VAL 222 Cb -0.18 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1ssm s VAL 222 CO -0.04 -0.08 0.11 0.18 0.00 0.00 0.00 175.10 175.26 1ssm n LEU 223 N 5.06 0.13 -4.34 3.92 4.77 -1.26 -1.91 117.00 123.37 1ssm n LEU 223 Ca -0.12 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.10 1ssm n LEU 223 Cb 0.48 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 1ssm n LEU 223 CO 0.37 0.03 -0.54 0.20 -1.33 0.00 0.00 177.39 176.11 1ssm s ASN 224 N -1.29 2.95 0.51 -1.43 0.01 -1.26 -4.94 114.94 109.49 1ssm s ASN 224 Ca 0.01 -0.73 -0.21 0.00 -0.71 0.00 0.00 52.86 51.23 1ssm s ASN 224 Cb 0.02 -0.18 -0.08 0.00 0.41 0.00 0.00 41.25 41.42 1ssm s ASN 224 CO 0.11 0.12 0.86 -2.65 -1.51 0.00 0.00 177.10 174.03 1ssm n PRO 225 N 0.96 0.96 -4.41 -0.60 -0.02 -1.26 -4.89 135.00 125.75 1ssm n PRO 225 Ca -0.18 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.32 1ssm n PRO 225 Cb 0.53 -1.97 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.47 3.18 0.48 -1.45 1.01 0.16 -4.96 120.40 117.35 1ssm s VAL 226 Ca 0.69 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1ssm s VAL 226 Cb -0.49 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 1ssm s VAL 226 CO 0.53 0.49 1.40 -2.84 0.00 0.00 0.00 175.10 174.68 1ssm s PRO 227 N 0.79 3.52 0.76 2.72 0.02 -1.26 0.53 135.00 142.08 1ssm s PRO 227 Ca -0.04 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.18 1ssm s PRO 227 Cb -0.15 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.84 1ssm s PRO 227 CO 0.01 -0.92 0.78 -0.85 -0.33 0.00 0.00 177.00 175.68 1ssm n GLU 228 N -0.45 0.30 -1.51 5.54 0.28 -1.26 -2.57 120.64 120.96 1ssm n GLU 228 Ca 0.07 0.15 -0.12 0.00 -0.16 0.00 0.00 57.16 57.10 1ssm n GLU 228 Cb 0.43 -2.06 -0.04 0.00 1.43 0.00 0.00 31.44 31.19 1ssm n GLU 228 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1ssm n TYR 229 N -2.69 -0.59 -3.72 -1.84 4.02 -0.45 -4.87 117.16 107.00 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 -2.45 -0.04 0.00 -0.02 0.00 0.00 39.34 37.34 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 -2.09 3.91 -0.15 -0.72 0.00 -1.06 -4.87 121.76 116.78 1ssm s ALA 230 Ca 0.00 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.14 1ssm s ALA 230 Cb 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1ssm s ALA 230 CO 0.00 -0.13 -0.21 0.99 0.00 0.00 0.00 175.76 176.40 1ssm s THR 231 N -2.44 2.04 0.08 0.00 2.01 -1.26 -0.51 115.64 115.56 1ssm s THR 231 Ca 0.45 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1ssm s THR 231 Cb -0.03 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 1ssm s THR 231 CO 0.27 0.54 -0.00 0.00 -0.69 0.00 0.00 174.62 174.74 1ssm s ALA 232 N 0.90 3.29 0.17 7.40 0.00 -0.58 -1.54 121.76 131.39 1ssm s ALA 232 Ca -0.05 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.58 1ssm s ALA 232 Cb -0.15 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.83 1ssm s ALA 232 CO -0.04 0.69 0.64 0.00 0.00 0.00 0.00 175.76 177.05 1ssm s ALA 233 N -1.28 -1.56 0.00 0.00 0.00 0.61 -1.16 121.76 118.37 1ssm s ALA 233 Ca 0.25 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1ssm s ALA 233 Cb -0.12 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1ssm s ALA 233 CO 0.17 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1ssm n GLY 234 N -0.38 0.40 2.69 0.00 0.00 -1.26 -0.79 105.19 105.85 1ssm n GLY 234 Ca -0.15 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.11 0.57 0.92 1.61 1.01 -1.26 -2.11 120.40 120.02 1ssm s VAL 235 Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 1ssm s VAL 235 Cb 0.00 -1.34 0.14 0.00 0.00 0.00 0.00 36.38 35.19 1ssm s VAL 235 CO 0.00 -0.56 1.09 -2.16 0.00 0.00 0.00 175.10 173.47 1ssm s PRO 236 N 1.79 1.04 0.40 2.72 0.04 -1.26 -5.03 135.00 134.71 1ssm s PRO 236 Ca 0.07 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.56 1ssm s PRO 236 Cb -0.17 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1ssm s PRO 236 CO -0.23 -2.36 1.03 0.00 0.04 0.00 0.00 177.00 175.49 1ssm s ALA 237 N -2.98 3.07 0.04 8.56 0.00 0.23 -4.84 121.76 125.84 1ssm s ALA 237 Ca 0.64 0.66 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 1ssm s ALA 237 Cb -0.18 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1ssm s ALA 237 CO 0.57 -0.17 -0.03 1.03 0.00 0.00 0.00 175.76 177.15 1ssm s ARG 238 N -2.58 0.47 0.32 0.00 0.52 0.03 -4.80 118.95 112.92 1ssm s ARG 238 Ca 0.58 -0.91 -0.27 0.00 -0.52 0.00 0.00 55.73 54.61 1ssm s ARG 238 Cb -0.20 0.11 -0.09 0.00 0.52 0.00 0.00 34.95 35.29 1ssm s ARG 238 CO 0.26 -0.07 1.07 0.42 0.02 0.00 0.00 175.30 177.00 1ssm s ILE 239 N -2.59 3.59 0.00 1.52 -1.09 -1.26 -0.28 121.20 121.08 1ssm s ILE 239 Ca -0.05 1.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1ssm s ILE 239 Cb -0.02 -3.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1ssm s ILE 239 CO -0.05 0.23 0.20 1.33 -1.23 0.00 0.00 174.94 175.42