#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 0.32 -4.42 3.38 -2.00 0.18 115.31 112.77 1ssm h LEU 3 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 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 0.28 -0.16 0.44 0.09 0.00 0.00 178.44 179.10 1ssm h ASP 4 N 0.00 -0.37 -0.44 -0.43 3.32 -2.04 -1.73 116.42 114.73 1ssm h ASP 4 Ca -0.00 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 56.95 1ssm h ASP 4 Cb 0.57 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 1ssm h ASP 4 CO 0.04 0.05 0.02 0.58 -1.72 0.00 0.00 179.24 178.20 1ssm h VAL 5 N -0.88 0.68 -0.90 -1.35 2.07 -1.91 -1.58 116.25 112.39 1ssm h VAL 5 Ca -0.04 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1ssm h VAL 5 Cb 0.52 0.54 -0.10 0.00 -1.52 0.00 0.00 31.29 30.74 1ssm h VAL 5 CO 0.07 0.02 0.50 -0.25 0.02 0.00 0.00 177.57 177.93 1ssm h TRP 6 N 0.13 0.87 0.18 1.57 -0.00 -0.60 -1.37 115.95 116.73 1ssm h TRP 6 Ca 0.22 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.13 1ssm h TRP 6 Cb 0.31 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.22 1ssm h TRP 6 CO -0.27 0.22 -0.09 1.96 -0.00 0.00 0.00 178.44 180.26 1ssm h GLN 7 N 0.69 -0.23 -0.58 2.65 1.08 -0.47 -0.47 115.11 117.78 1ssm h GLN 7 Ca 0.49 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.68 1ssm h GLN 7 Cb 0.69 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 1ssm h GLN 7 CO -0.36 -0.08 0.23 0.45 -0.95 0.00 0.00 178.83 178.13 1ssm h HIS 8 N -0.33 0.84 -0.29 2.96 3.86 -0.74 -1.28 115.15 120.17 1ssm h HIS 8 Ca -0.02 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 1ssm h HIS 8 Cb 0.26 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1ssm h HIS 8 CO -0.04 0.64 0.03 0.82 0.86 0.00 0.00 177.93 180.25 1ssm h ILE 9 N 0.83 1.24 -0.29 2.45 2.04 -1.03 -0.03 117.51 122.72 1ssm h ILE 9 Ca 0.20 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1ssm h ILE 9 Cb 0.15 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1ssm h ILE 9 CO -0.02 0.27 0.11 0.03 0.00 0.00 0.00 178.15 178.54 1ssm h ARG 10 N 0.29 0.24 -0.61 2.37 3.08 -0.81 0.79 114.38 119.73 1ssm h ARG 10 Ca 0.09 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.19 1ssm h ARG 10 Cb 0.36 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 1ssm h ARG 10 CO 0.01 0.16 0.30 1.96 -1.07 0.00 0.00 179.97 181.33 1ssm h GLN 11 N 0.25 0.53 -0.53 0.04 1.08 -1.07 -0.66 115.11 114.75 1ssm h GLN 11 Ca 0.13 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1ssm h GLN 11 Cb 0.08 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1ssm h GLN 11 CO -0.12 0.35 0.16 0.93 -0.95 0.00 0.00 178.83 179.20 1ssm h GLU 12 N 0.54 0.83 -0.09 1.46 5.08 -0.28 -2.97 114.58 119.15 1ssm h GLU 12 Ca 0.29 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1ssm h GLU 12 Cb 0.25 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1ssm h GLU 12 CO -0.22 0.77 -0.31 0.00 -1.00 0.00 0.00 179.01 178.25 1ssm h ALA 13 N 1.02 -0.38 -0.91 3.43 0.00 0.06 0.56 119.26 123.05 1ssm h ALA 13 Ca 0.17 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1ssm h ALA 13 Cb 0.29 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1ssm h ALA 13 CO -0.00 -0.79 0.58 0.87 0.00 0.00 0.00 179.25 179.91 1ssm h LYS 14 N -0.41 0.75 0.12 0.00 1.57 -1.04 0.31 116.57 117.87 1ssm h LYS 14 Ca 0.09 -0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 58.54 1ssm h LYS 14 Cb 0.54 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1ssm h LYS 14 CO -0.32 0.50 -1.22 0.93 -0.57 0.00 0.00 179.45 178.77 1ssm h GLU 15 N 0.77 0.38 -0.23 3.15 5.08 -1.08 -2.24 114.58 120.41 1ssm h GLU 15 Ca 0.45 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ssm h GLU 15 Cb 0.64 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1ssm h GLU 15 CO -0.22 1.25 0.14 -0.07 -1.00 0.00 0.00 179.01 179.11 1ssm h LEU 16 N 0.14 0.28 -0.83 1.33 4.07 0.77 0.55 115.31 121.63 1ssm h LEU 16 Ca -0.15 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 1ssm h LEU 16 Cb 1.91 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 43.54 1ssm h LEU 16 CO 0.21 0.26 0.43 0.00 -1.08 0.00 0.00 178.44 178.26 1ssm h ALA 17 N 1.03 1.07 -0.76 1.53 0.00 -1.02 -1.38 119.26 119.72 1ssm h ALA 17 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ssm h ALA 17 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1ssm h ALA 17 CO -0.02 0.60 0.34 1.49 0.00 0.00 0.00 179.25 181.67 1ssm h GLU 18 N 1.17 1.11 0.00 0.00 4.57 -0.75 -3.01 114.58 117.66 1ssm h GLU 18 Ca 0.29 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1ssm h GLU 18 Cb 0.07 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1ssm h GLU 18 CO -0.04 0.87 -0.26 -0.91 -1.18 0.00 0.00 179.01 177.49 1ssm h ASN 19 N 1.09 0.00 -2.86 1.04 4.21 -0.18 -3.41 115.58 115.48 1ssm h ASN 19 Ca 0.26 -0.07 -0.60 0.00 1.21 0.00 0.00 56.30 57.11 1ssm h ASN 19 Cb 0.15 0.00 -0.39 0.00 -1.12 0.00 0.00 38.32 36.96 1ssm h ASN 19 CO -0.03 0.03 -0.82 -0.70 -1.29 0.00 0.00 177.43 174.62 1ssm s GLU 20 N -3.15 1.08 0.00 0.81 2.56 -0.59 -5.09 118.70 114.31 1ssm s GLU 20 Ca 0.08 -1.97 0.00 0.00 0.00 0.00 0.00 54.97 53.08 1ssm s GLU 20 Cb 0.11 -1.87 0.00 0.00 2.00 0.00 0.00 34.13 34.37 1ssm s GLU 20 CO 0.66 -1.25 0.00 -2.30 -0.56 0.00 0.00 175.26 171.81 1ssm n PRO 21 N 3.33 0.00 0.00 4.30 -0.02 -1.25 -2.02 135.00 139.33 1ssm n PRO 21 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1ssm n PRO 21 Cb 0.39 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.00 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 1.19 0.00 -0.36 2.45 7.94 -1.26 -4.57 117.00 122.40 1ssm n LEU 23 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1ssm n LEU 23 Cb 0.00 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.20 1ssm n LEU 23 CO 0.00 0.00 1.23 0.00 -1.11 0.00 0.00 177.39 177.51 1ssm h ALA 24 N 0.00 1.55 -0.68 1.96 0.00 -1.64 -1.55 119.26 118.90 1ssm h ALA 24 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ssm h ALA 24 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1ssm h ALA 24 CO 0.00 0.18 0.13 0.66 0.00 0.00 0.00 179.25 180.22 1ssm h SER 25 N 0.96 1.05 -0.66 0.00 4.64 -1.90 -0.98 113.55 116.66 1ssm h SER 25 Ca 0.51 -0.25 0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1ssm h SER 25 Cb 0.56 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1ssm h SER 25 CO -0.29 1.03 0.43 0.15 -0.87 0.00 0.00 176.83 177.29 1ssm h PHE 26 N 1.03 0.82 -0.37 4.77 3.57 -1.72 0.39 116.94 125.43 1ssm h PHE 26 Ca 0.21 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 1ssm h PHE 26 Cb 0.41 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1ssm h PHE 26 CO 0.03 0.51 -0.15 0.74 -2.23 0.00 0.00 178.31 177.21 1ssm h PHE 27 N 0.88 0.75 -0.28 0.41 0.05 -0.94 -0.59 116.94 117.22 1ssm h PHE 27 Ca 0.25 -0.14 -0.18 0.00 3.82 0.00 0.00 57.97 61.72 1ssm h PHE 27 Cb -0.08 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 37.68 1ssm h PHE 27 CO -0.03 0.79 -0.53 0.45 -0.18 0.00 0.00 178.31 178.81 1ssm h HIS 28 N 0.61 1.07 -0.06 -0.55 3.86 -0.45 -1.53 115.15 118.11 1ssm h HIS 28 Ca 0.10 -0.38 -0.20 0.00 -1.16 0.00 0.00 60.37 58.73 1ssm h HIS 28 Cb 0.61 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 1ssm h HIS 28 CO 0.03 1.21 -0.81 0.77 0.86 0.00 0.00 177.93 179.99 1ssm h SER 29 N 0.63 0.54 0.75 2.45 0.02 -0.86 -1.79 113.55 115.30 1ssm h SER 29 Ca 0.01 -0.38 -0.22 0.00 -0.84 0.00 0.00 61.79 60.37 1ssm h SER 29 Cb 1.14 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 1ssm h SER 29 CO 0.12 1.14 -1.36 0.71 -1.14 0.00 0.00 176.83 176.30 1ssm h THR 30 N 0.28 0.87 0.00 -2.27 1.35 -1.14 -3.45 112.91 108.55 1ssm h THR 30 Ca -0.05 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 1ssm h THR 30 Cb 1.41 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1ssm h THR 30 CO 0.14 0.49 0.00 -0.38 -0.25 0.00 0.00 175.52 175.53 1ssm n ILE 31 N -3.06 0.51 -0.17 6.82 5.41 -0.61 -4.60 119.36 123.65 1ssm n ILE 31 Ca -0.10 0.17 0.17 0.00 1.00 0.00 0.00 62.75 64.00 1ssm n ILE 31 Cb 0.93 -1.07 0.53 0.00 -0.71 0.00 0.00 39.64 39.32 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 0.34 -0.28 1.39 3.38 -1.50 -2.07 115.31 116.57 1ssm h LEU 32 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ssm h LEU 32 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ssm h LEU 32 CO 0.00 0.16 -0.07 2.29 0.09 0.00 0.00 178.44 180.92 1ssm n LYS 33 N -4.47 0.88 -3.87 1.13 2.85 -0.67 -4.83 118.16 109.19 1ssm n LYS 33 Ca 0.15 -0.28 -0.28 0.00 -1.05 0.00 0.00 58.31 56.86 1ssm n LYS 33 Cb 0.60 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.46 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 -2.31 3.49 -1.38 5.58 3.76 -0.78 -5.02 115.29 118.64 1ssm s HIS 34 Ca 0.34 0.22 0.23 0.00 -0.15 0.00 0.00 55.06 55.71 1ssm s HIS 34 Cb 0.21 -1.75 0.15 0.00 1.11 0.00 0.00 32.58 32.30 1ssm s HIS 34 CO 0.43 0.50 1.17 1.04 -0.85 0.00 0.00 174.74 177.03 1ssm n GLN 35 N -0.35 0.43 -3.41 1.40 6.02 -1.26 -5.00 117.38 115.21 1ssm n GLN 35 Ca -0.06 -0.32 -0.08 0.00 -0.01 0.00 0.00 57.00 56.53 1ssm n GLN 35 Cb 0.53 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.32 1ssm n GLN 35 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1ssm n ASN 36 N -1.00 -1.88 -0.02 1.08 0.23 -1.26 -5.07 115.26 107.34 1ssm n ASN 36 Ca 0.07 -2.40 -0.16 0.00 -0.53 0.00 0.00 54.58 51.56 1ssm n ASN 36 Cb 0.37 3.15 -0.05 0.00 -2.08 0.00 0.00 39.78 41.17 1ssm n ASN 36 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1ssm h LEU 37 N 0.00 0.89 -1.04 -4.53 5.85 -1.94 -3.11 115.31 111.43 1ssm h LEU 37 Ca -0.28 -0.57 -0.05 0.00 0.84 0.00 0.00 57.88 57.82 1ssm h LEU 37 Cb 1.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1ssm h LEU 37 CO 0.36 1.36 0.12 1.23 -0.34 0.00 0.00 178.44 181.17 1ssm h GLY 38 N 0.67 0.86 0.99 3.75 0.00 -1.97 0.30 103.07 107.67 1ssm h GLY 38 Ca -0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1ssm h GLY 38 CO 0.15 0.47 -0.04 -1.33 0.00 0.00 0.00 176.54 175.79 1ssm h GLY 39 N 0.96 -0.12 0.99 4.60 0.00 -1.98 0.35 103.07 107.87 1ssm h GLY 39 Ca 0.17 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 1ssm h GLY 39 CO -0.00 -0.04 0.14 0.00 0.00 0.00 0.00 176.54 176.64 1ssm h ALA 40 N 0.79 0.72 -0.29 3.60 0.00 -1.40 -2.09 119.26 120.58 1ssm h ALA 40 Ca -0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1ssm h ALA 40 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ssm h ALA 40 CO 0.02 0.41 -0.17 1.25 0.00 0.00 0.00 179.25 180.76 1ssm h LEU 41 N 0.77 0.51 -0.52 0.00 5.85 -0.13 -0.89 115.31 120.90 1ssm h LEU 41 Ca 0.17 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1ssm h LEU 41 Cb 0.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1ssm h LEU 41 CO -0.00 0.70 -0.55 0.77 -0.34 0.00 0.00 178.44 179.02 1ssm h SER 42 N 0.47 0.61 -0.07 1.25 4.64 -0.07 -0.60 113.55 119.78 1ssm h SER 42 Ca 0.08 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1ssm h SER 42 Cb 0.57 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ssm h SER 42 CO 0.04 1.03 -0.02 0.22 -0.87 0.00 0.00 176.83 177.23 1ssm h TYR 43 N 0.42 0.16 -0.31 4.77 5.03 -1.12 0.31 116.97 126.22 1ssm h TYR 43 Ca 0.01 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1ssm h TYR 43 Cb 1.09 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.32 1ssm h TYR 43 CO 0.04 0.47 0.20 -0.07 -1.32 0.00 0.00 178.16 177.49 1ssm h LEU 44 N -0.20 0.35 -0.18 2.82 3.38 -1.13 -1.53 115.31 118.81 1ssm h LEU 44 Ca 0.02 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1ssm h LEU 44 Cb 0.42 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ssm h LEU 44 CO 0.01 0.25 -0.25 -0.07 0.09 0.00 0.00 178.44 178.48 1ssm h LEU 45 N 0.41 0.53 -0.78 1.67 3.38 -1.00 -1.75 115.31 117.77 1ssm h LEU 45 Ca 0.11 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1ssm h LEU 45 Cb -0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1ssm h LEU 45 CO -0.02 0.94 0.50 0.00 0.09 0.00 0.00 178.44 179.94 1ssm h ALA 46 N 0.61 1.02 -0.34 1.53 0.00 -0.37 -1.24 119.26 120.46 1ssm h ALA 46 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ssm h ALA 46 Cb 0.81 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ssm h ALA 46 CO 0.06 0.31 0.18 -0.91 0.00 0.00 0.00 179.25 178.89 1ssm h ASN 47 N 0.97 0.43 0.96 0.00 2.35 -1.13 -1.86 115.58 117.31 1ssm h ASN 47 Ca 0.31 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1ssm h ASN 47 Cb 0.00 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1ssm h ASN 47 CO -0.11 0.40 -0.49 0.11 -1.65 0.00 0.00 177.43 175.70 1ssm h LYS 48 N 0.43 0.00 -0.01 0.81 1.57 -1.00 -2.91 116.57 115.45 1ssm h LYS 48 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1ssm h LYS 48 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ssm h LYS 48 CO -0.02 0.49 -0.29 1.28 -0.57 0.00 0.00 179.45 180.35 1ssm n LEU 49 N -3.49 1.31 -4.72 2.94 4.77 -0.49 -4.86 117.00 112.46 1ssm n LEU 49 Ca 0.00 -0.40 -0.36 0.00 -0.03 0.00 0.00 56.01 55.22 1ssm n LEU 49 Cb 0.61 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.70 1ssm n LEU 49 CO 0.39 0.24 0.87 0.00 -1.33 0.00 0.00 177.39 177.56 1ssm n ALA 50 N -0.43 0.82 -3.45 -1.18 0.00 -0.70 -4.99 120.51 110.58 1ssm n ALA 50 Ca 0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 1ssm n ALA 50 Cb 0.38 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 -1.59 -0.43 0.40 0.00 2.20 -1.26 -4.97 114.94 109.30 1ssm s ASN 51 Ca 0.80 -0.23 0.21 0.00 -0.94 0.00 0.00 52.86 52.70 1ssm s ASN 51 Cb -0.36 0.61 1.19 0.00 -2.00 0.00 0.00 41.25 40.70 1ssm s ASN 51 CO 0.43 -1.05 1.72 -0.65 -2.94 0.00 0.00 177.10 174.61 1ssm h PRO 52 N 2.07 0.29 -0.84 3.55 0.11 -2.04 -2.52 132.00 132.62 1ssm h PRO 52 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ssm h PRO 52 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ssm h PRO 52 CO 0.36 0.19 0.00 -0.89 -0.21 0.00 0.00 178.00 177.45 1ssm n ILE 53 N -4.68 0.58 -3.84 4.15 5.41 -1.26 -5.12 119.36 114.59 1ssm n ILE 53 Ca 0.29 -0.30 -0.07 0.00 1.00 0.00 0.00 62.75 63.67 1ssm n ILE 53 Cb 1.04 -0.40 -0.01 0.00 -0.71 0.00 0.00 39.64 39.56 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 -1.42 1.83 0.18 0.38 0.02 -0.95 -5.12 135.00 129.92 1ssm s PRO 55 Ca 0.12 -1.05 -0.14 0.00 0.02 0.00 0.00 61.00 59.94 1ssm s PRO 55 Cb 0.09 0.60 0.17 0.00 0.02 0.00 0.00 34.50 35.38 1ssm s PRO 55 CO 0.04 -0.84 1.69 0.00 -0.33 0.00 0.00 177.00 177.55 1ssm h ALA 56 N 2.00 0.45 -0.85 -1.55 0.00 -1.86 -1.12 119.26 116.33 1ssm h ALA 56 Ca -0.22 0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1ssm h ALA 56 Cb 1.25 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 1ssm h ALA 56 CO 0.27 -0.38 0.55 0.97 0.00 0.00 0.00 179.25 180.66 1ssm h ILE 57 N 0.12 0.95 -0.00 0.00 2.10 -2.00 0.15 117.51 118.83 1ssm h ILE 57 Ca 0.24 -0.28 -0.23 0.00 1.08 0.00 0.00 64.86 65.67 1ssm h ILE 57 Cb 0.36 0.07 0.01 0.00 -1.09 0.00 0.00 36.82 36.16 1ssm h ILE 57 CO -0.39 0.15 -0.95 0.28 -1.08 0.00 0.00 178.15 176.15 1ssm h SER 58 N 0.81 0.60 0.68 2.19 0.02 -1.66 -3.27 113.55 112.93 1ssm h SER 58 Ca 0.40 -0.48 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1ssm h SER 58 Cb 0.45 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ssm h SER 58 CO -0.16 1.28 -0.69 -0.07 -1.14 0.00 0.00 176.83 176.04 1ssm h LEU 59 N 0.26 0.01 -0.98 5.07 3.38 -0.47 -3.22 115.31 119.36 1ssm h LEU 59 Ca -0.09 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1ssm h LEU 59 Cb 1.59 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1ssm h LEU 59 CO 0.17 0.70 -0.23 -0.09 0.09 0.00 0.00 178.44 179.07 1ssm h ARG 60 N 0.01 0.00 0.00 1.13 2.43 -0.81 -1.75 114.38 115.39 1ssm h ARG 60 Ca -0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1ssm h ARG 60 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1ssm h ARG 60 CO 0.09 0.23 -0.39 1.49 -1.51 0.00 0.00 179.97 179.89 1ssm h GLU 61 N 0.00 0.00 0.18 0.20 4.81 -1.62 -1.93 114.58 116.23 1ssm h GLU 61 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1ssm h GLU 61 Cb 0.81 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.21 1ssm h GLU 61 CO 0.03 0.39 -1.15 0.82 -0.73 0.00 0.00 179.01 178.37 1ssm h ILE 62 N 0.00 1.36 -0.28 2.32 2.04 -1.54 -2.72 117.51 118.70 1ssm h ILE 62 Ca -0.00 -2.58 -0.05 0.00 1.00 0.00 0.00 64.86 63.22 1ssm h ILE 62 Cb 1.02 3.09 -0.02 0.00 -0.74 0.00 0.00 36.82 40.17 1ssm h ILE 62 CO 0.05 0.76 -0.05 0.40 0.00 0.00 0.00 178.15 179.30 1ssm h ILE 63 N -0.16 1.19 0.00 -0.67 2.04 -1.28 -2.74 117.51 115.89 1ssm h ILE 63 Ca -0.21 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 64.75 1ssm h ILE 63 Cb 1.86 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1ssm h ILE 63 CO 0.19 0.27 -0.47 -0.33 0.00 0.00 0.00 178.15 177.80 1ssm h GLU 64 N 0.42 0.00 0.00 2.37 5.08 -1.37 -1.79 114.58 119.29 1ssm h GLU 64 Ca 0.09 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1ssm h GLU 64 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ssm h GLU 64 CO 0.02 0.47 -0.69 1.49 -1.00 0.00 0.00 179.01 179.29 1ssm h GLU 65 N 0.00 0.00 -0.09 2.33 4.22 -1.20 -1.64 114.58 118.19 1ssm h GLU 65 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.36 1ssm h GLU 65 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ssm h GLU 65 CO 0.06 0.69 -0.22 0.00 -2.18 0.00 0.00 179.01 177.37 1ssm h ALA 66 N 1.31 0.15 0.00 2.92 0.00 -1.27 0.26 119.26 122.63 1ssm h ALA 66 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ssm h ALA 66 Cb 1.31 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ssm h ALA 66 CO 0.09 0.11 -0.04 1.88 0.00 0.00 0.00 179.25 181.30 1ssm h TYR 67 N -0.14 0.00 0.09 0.00 0.99 -1.23 -0.06 116.97 116.62 1ssm h TYR 67 Ca -0.00 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 1ssm h TYR 67 Cb 0.81 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.55 1ssm h TYR 67 CO 0.11 0.04 -0.81 0.37 -0.00 0.00 0.00 178.16 177.86 1ssm h GLN 68 N 0.00 0.19 0.00 4.88 4.15 -1.05 -2.69 115.11 120.59 1ssm h GLN 68 Ca -0.00 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 59.06 1ssm h GLN 68 Cb 0.07 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1ssm h GLN 68 CO 0.00 1.15 -0.19 0.77 -1.93 0.00 0.00 178.83 178.64 1ssm h SER 69 N -0.56 0.00 -1.80 -0.69 0.02 0.07 -3.36 113.55 107.23 1ssm h SER 69 Ca -0.17 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.26 1ssm h SER 69 Cb 1.49 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.68 1ssm h SER 69 CO 0.06 0.19 -1.01 -3.20 -1.14 0.00 0.00 176.83 171.73 1ssm n ASN 70 N -3.75 -0.34 0.26 3.07 2.85 -0.08 -4.98 115.26 112.28 1ssm n ASN 70 Ca -0.02 -2.72 0.15 0.00 -0.11 0.00 0.00 54.58 51.88 1ssm n ASN 70 Cb 0.30 -0.30 0.67 0.00 1.24 0.00 0.00 39.78 41.68 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 4.24 0.00 0.00 1.20 0.11 -1.63 -2.19 132.00 133.73 1ssm h PRO 71 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1ssm h PRO 71 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1ssm h PRO 71 CO 0.42 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 178.66 1ssm n SER 72 N -3.02 0.00 0.10 -2.05 2.88 -1.26 -1.68 113.62 108.60 1ssm n SER 72 Ca 0.02 0.26 -0.04 0.00 -1.33 0.00 0.00 58.87 57.77 1ssm n SER 72 Cb 0.58 -0.35 0.10 0.00 -0.75 0.00 0.00 64.21 63.78 1ssm n SER 72 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1ssm h ILE 73 N 0.00 1.46 -0.21 2.46 2.04 -1.76 -2.89 117.51 118.60 1ssm h ILE 73 Ca 0.00 -2.27 -0.16 0.00 1.00 0.00 0.00 64.86 63.43 1ssm h ILE 73 Cb 0.12 2.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1ssm h ILE 73 CO 0.00 0.66 -0.53 0.40 0.00 0.00 0.00 178.15 178.68 1ssm h ILE 74 N 0.08 1.31 -0.09 -0.67 2.04 -1.55 -2.50 117.51 116.13 1ssm h ILE 74 Ca -0.01 -1.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.08 1ssm h ILE 74 Cb 1.23 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1ssm h ILE 74 CO 0.10 0.55 0.04 0.44 0.00 0.00 0.00 178.15 179.28 1ssm h ASP 75 N 0.46 0.12 -0.85 1.72 3.32 -1.61 -2.44 116.42 117.15 1ssm h ASP 75 Ca 0.01 -0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.05 1ssm h ASP 75 Cb 1.07 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 1ssm h ASP 75 CO 0.10 0.23 0.55 0.00 -1.72 0.00 0.00 179.24 178.40 1ssm h ALA 77 N 1.60 0.23 -0.14 0.00 0.00 -1.13 0.68 119.26 120.51 1ssm h ALA 77 Ca 0.42 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1ssm h ALA 77 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ssm h ALA 77 CO -0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 179.25 178.81 1ssm h ALA 78 N 1.01 0.11 -0.77 0.00 0.00 -0.31 0.30 119.26 119.60 1ssm h ALA 78 Ca 0.07 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1ssm h ALA 78 Cb 0.04 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1ssm h ALA 78 CO -0.01 -0.46 0.47 0.00 0.00 0.00 0.00 179.25 179.24 1ssm h ASP 80 N 0.87 0.50 -0.65 0.00 3.32 0.19 -1.35 116.42 119.30 1ssm h ASP 80 Ca 0.33 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1ssm h ASP 80 Cb 0.13 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1ssm h ASP 80 CO -0.16 0.60 0.15 0.40 -1.72 0.00 0.00 179.24 178.52 1ssm h ILE 81 N 0.50 1.26 -0.84 0.35 2.04 0.68 -2.28 117.51 119.21 1ssm h ILE 81 Ca 0.10 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1ssm h ILE 81 Cb 0.40 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1ssm h ILE 81 CO 0.02 0.36 0.42 1.56 0.00 0.00 0.00 178.15 180.50 1ssm h GLN 82 N 0.97 1.20 -0.09 2.37 4.20 0.11 -2.64 115.11 121.22 1ssm h GLN 82 Ca 0.20 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ssm h GLN 82 Cb 0.37 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1ssm h GLN 82 CO 0.00 0.91 0.06 0.00 -0.67 0.00 0.00 178.83 179.14 1ssm h ALA 83 N 1.26 0.12 -0.29 3.87 0.00 -0.75 -1.23 119.26 122.23 1ssm h ALA 83 Ca 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ssm h ALA 83 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ssm h ALA 83 CO -0.04 -0.37 0.13 0.28 0.00 0.00 0.00 179.25 179.24 1ssm h VAL 84 N 0.10 1.17 -0.90 0.00 2.07 -1.42 0.37 116.25 117.64 1ssm h VAL 84 Ca 0.03 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.16 1ssm h VAL 84 Cb 0.02 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1ssm h VAL 84 CO -0.01 0.17 0.58 -0.09 0.02 0.00 0.00 177.57 178.25 1ssm h ARG 85 N 0.32 0.86 -0.53 1.57 2.43 -1.34 -0.98 114.38 116.72 1ssm h ARG 85 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1ssm h ARG 85 Cb 0.16 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1ssm h ARG 85 CO -0.01 0.57 0.00 0.72 -1.51 0.00 0.00 179.97 179.74 1ssm n HIS 86 N -4.54 0.70 -0.27 2.20 -0.00 -0.48 -4.13 115.22 108.71 1ssm n HIS 86 Ca 0.16 -0.38 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 1ssm n HIS 86 Cb 0.31 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 1ssm n HIS 86 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1ssm n ARG 87 N 1.45 1.23 -3.94 -0.41 1.74 0.06 -4.87 116.66 111.91 1ssm n ARG 87 Ca 0.21 -0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 56.81 1ssm n ARG 87 Cb 0.59 -0.58 -0.15 0.00 -1.02 0.00 0.00 32.46 31.30 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 -0.22 4.55 0.18 0.55 -1.08 -0.39 -4.97 116.67 115.28 1ssm s ASP 88 Ca 0.00 -2.09 0.18 0.00 -0.52 0.00 0.00 52.55 50.12 1ssm s ASP 88 Cb 0.00 -1.44 0.81 0.00 -1.46 0.00 0.00 42.92 40.83 1ssm s ASP 88 CO 0.00 -0.38 1.55 -0.81 0.52 0.00 0.00 175.17 176.05 1ssm n PRO 89 N 4.32 0.11 0.00 4.34 -0.04 -1.26 -2.11 135.00 140.36 1ssm n PRO 89 Ca 0.03 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1ssm n PRO 89 Cb 0.41 -1.76 0.57 0.00 -0.04 0.00 0.00 33.50 32.69 1ssm n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ssm n ALA 90 N -1.68 2.66 -3.92 0.55 0.00 -1.26 -4.67 120.51 112.20 1ssm n ALA 90 Ca 0.01 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 1ssm n ALA 90 Cb 0.14 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.09 2.48 -0.12 0.00 1.01 -0.90 -4.99 120.40 115.79 1ssm s VAL 91 Ca 0.37 -1.06 0.15 0.00 0.00 0.00 0.00 61.98 61.44 1ssm s VAL 91 Cb 0.21 -2.20 -0.22 0.00 0.00 0.00 0.00 36.38 34.17 1ssm s VAL 91 CO 0.37 0.30 0.15 -0.62 0.00 0.00 0.00 175.10 175.30 1ssm n GLU 92 N 4.62 1.14 -3.81 2.72 1.02 -1.26 -4.73 120.64 120.34 1ssm n GLU 92 Ca -0.18 -0.05 -0.37 0.00 -0.02 0.00 0.00 57.16 56.54 1ssm n GLU 92 Cb 0.48 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.42 1ssm n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ssm s LEU 93 N -4.90 4.39 0.33 -4.62 1.43 -1.26 -5.00 118.68 109.04 1ssm s LEU 93 Ca -0.07 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1ssm s LEU 93 Cb 0.07 -2.16 0.55 0.00 0.03 0.00 0.00 46.19 44.68 1ssm s LEU 93 CO 0.67 0.38 1.93 -0.50 0.23 0.00 0.00 176.35 179.07 1ssm h TRP 94 N 5.05 0.79 0.00 0.29 4.06 -1.94 -2.43 115.95 121.77 1ssm h TRP 94 Ca -0.54 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.38 1ssm h TRP 94 Cb 1.22 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1ssm h TRP 94 CO 0.74 0.58 -0.08 0.66 -3.56 0.00 0.00 178.44 176.78 1ssm h SER 95 N 0.80 0.00 0.07 -3.49 4.64 -1.89 -3.32 113.55 110.35 1ssm h SER 95 Ca 0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ssm h SER 95 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1ssm h SER 95 CO -0.03 0.08 -0.03 0.74 -0.87 0.00 0.00 176.83 176.72 1ssm h THR 96 N 0.00 0.94 -0.88 2.95 2.02 -1.86 -0.60 112.91 115.48 1ssm h THR 96 Ca -0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1ssm h THR 96 Cb 0.30 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1ssm h THR 96 CO 0.01 0.01 0.46 -0.65 0.37 0.00 0.00 175.52 175.71 1ssm h PRO 97 N -0.10 1.25 -0.72 6.66 0.11 -1.75 -0.75 132.00 136.69 1ssm h PRO 97 Ca -0.01 -0.16 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 1ssm h PRO 97 Cb 0.08 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 30.92 1ssm h PRO 97 CO 0.02 0.93 0.25 1.25 -0.21 0.00 0.00 178.00 180.24 1ssm h LEU 98 N 1.25 1.03 0.08 2.35 5.85 -1.65 -3.15 115.31 121.07 1ssm h LEU 98 Ca 0.31 -0.19 -0.34 0.00 0.84 0.00 0.00 57.88 58.50 1ssm h LEU 98 Cb 0.07 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1ssm h LEU 98 CO -0.04 0.95 -1.88 0.18 -0.34 0.00 0.00 178.44 177.30 1ssm n LEU 99 N -4.31 1.97 -0.02 2.25 4.77 -0.26 -4.80 117.00 116.61 1ssm n LEU 99 Ca 0.06 0.30 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1ssm n LEU 99 Cb 0.21 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1ssm n LEU 99 CO 0.41 0.68 -0.64 -1.22 -1.33 0.00 0.00 177.39 175.29 1ssm n TYR 100 N -3.32 0.00 -2.69 -1.77 0.53 -0.30 -5.00 117.16 104.60 1ssm n TYR 100 Ca -0.26 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.20 1ssm n TYR 100 Cb 1.05 -0.22 -0.03 0.00 -1.03 0.00 0.00 39.34 39.11 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 -4.05 3.71 0.59 7.72 1.43 -1.19 -4.92 118.68 121.98 1ssm s LEU 101 Ca -0.02 -0.27 0.29 0.00 -1.03 0.00 0.00 54.13 53.10 1ssm s LEU 101 Cb 0.02 -2.86 1.63 0.00 0.03 0.00 0.00 46.19 45.01 1ssm s LEU 101 CO 0.23 -1.46 2.06 0.07 0.23 0.00 0.00 176.35 177.48 1ssm h LYS 102 N 9.56 0.00 -0.30 1.70 2.10 -1.89 0.11 116.57 127.84 1ssm h LYS 102 Ca -0.26 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.36 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 1.17 0.00 0.10 0.78 -2.00 0.00 0.00 179.45 179.50 1ssm h GLY 103 N 0.00 0.51 1.02 0.07 0.00 -1.83 0.57 103.07 103.42 1ssm h GLY 103 Ca 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1ssm h GLY 103 CO -0.00 0.28 0.52 -2.75 0.00 0.00 0.00 176.54 174.59 1ssm h PHE 104 N 0.33 1.23 -0.41 5.60 3.57 -1.20 -2.06 116.94 124.01 1ssm h PHE 104 Ca 0.10 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1ssm h PHE 104 Cb 0.24 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1ssm h PHE 104 CO 0.00 0.83 0.04 0.45 -2.23 0.00 0.00 178.31 177.40 1ssm h HIS 105 N 1.26 0.75 -0.92 0.41 3.86 -0.66 -2.27 115.15 117.58 1ssm h HIS 105 Ca 0.32 -0.12 0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1ssm h HIS 105 Cb -0.01 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.21 1ssm h HIS 105 CO 0.01 0.74 0.60 0.00 0.86 0.00 0.00 177.93 180.14 1ssm h ALA 106 N 0.91 1.24 -0.05 2.45 0.00 -0.69 -0.18 119.26 122.94 1ssm h ALA 106 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ssm h ALA 106 Cb 0.42 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ssm h ALA 106 CO 0.01 0.43 -0.02 0.82 0.00 0.00 0.00 179.25 180.50 1ssm h ILE 107 N 1.13 1.31 0.00 0.00 2.04 -1.14 0.08 117.51 120.94 1ssm h ILE 107 Ca 0.38 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 1ssm h ILE 107 Cb 0.05 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1ssm h ILE 107 CO -0.14 0.26 -0.21 1.56 0.00 0.00 0.00 178.15 179.62 1ssm h GLN 108 N -0.26 0.00 -0.01 2.37 1.08 -1.15 -1.14 115.11 116.00 1ssm h GLN 108 Ca 0.01 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1ssm h GLN 108 Cb 0.43 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1ssm h GLN 108 CO 0.01 0.21 -0.02 0.77 -0.95 0.00 0.00 178.83 178.85 1ssm h SER 109 N 0.00 0.04 -0.88 1.46 0.02 -0.84 -2.81 113.55 110.54 1ssm h SER 109 Ca -0.00 -0.53 0.17 0.00 -0.84 0.00 0.00 61.79 60.59 1ssm h SER 109 Cb 0.44 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.86 1ssm h SER 109 CO 0.03 0.56 0.46 0.22 -1.14 0.00 0.00 176.83 176.96 1ssm h TYR 110 N -0.48 0.79 -0.80 3.45 3.20 -0.59 -0.60 116.97 121.94 1ssm h TYR 110 Ca 0.00 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1ssm h TYR 110 Cb 0.55 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 1ssm h TYR 110 CO 0.11 0.14 0.43 0.00 -1.64 0.00 0.00 178.16 177.20 1ssm h ARG 111 N 0.60 0.67 -0.43 1.82 3.08 -0.97 0.51 114.38 119.66 1ssm h ARG 111 Ca 0.50 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 1ssm h ARG 111 Cb 0.79 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1ssm h ARG 111 CO -0.40 0.44 0.19 0.82 -1.07 0.00 0.00 179.97 179.95 1ssm h ILE 112 N 0.69 1.19 0.00 2.04 2.04 -0.93 -1.78 117.51 120.76 1ssm h ILE 112 Ca 0.40 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1ssm h ILE 112 Cb 0.45 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1ssm h ILE 112 CO -0.29 0.21 -0.14 0.71 0.00 0.00 0.00 178.15 178.64 1ssm h THR 113 N 0.56 0.92 -0.03 -0.27 1.35 -0.12 -1.30 112.91 114.02 1ssm h THR 113 Ca 0.15 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1ssm h THR 113 Cb 0.15 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1ssm h THR 113 CO -0.02 0.14 -0.02 -0.74 -0.25 0.00 0.00 175.52 174.64 1ssm h HIS 114 N 0.00 0.08 -0.09 4.73 6.17 0.68 -1.09 115.15 125.62 1ssm h HIS 114 Ca -0.00 -0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.10 1ssm h HIS 114 Cb 0.29 -0.02 -0.04 0.00 2.52 0.00 0.00 27.41 30.16 1ssm h HIS 114 CO 0.00 0.46 -0.15 -0.92 0.71 0.00 0.00 177.93 178.03 1ssm h TYR 115 N -0.33 -0.39 -0.53 5.26 3.20 -1.04 -1.74 116.97 121.41 1ssm h TYR 115 Ca 0.01 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1ssm h TYR 115 Cb 0.44 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.84 1ssm h TYR 115 CO 0.07 -0.22 0.16 -0.07 -1.64 0.00 0.00 178.16 176.45 1ssm h LEU 116 N -0.21 0.11 -0.79 2.82 3.38 -1.16 -0.70 115.31 118.78 1ssm h LEU 116 Ca 0.08 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1ssm h LEU 116 Cb 0.32 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1ssm h LEU 116 CO -0.22 0.09 0.48 -0.25 0.09 0.00 0.00 178.44 178.63 1ssm h TRP 117 N 0.32 0.90 0.00 1.13 2.91 -0.72 0.95 115.95 121.44 1ssm h TRP 117 Ca 0.26 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.31 1ssm h TRP 117 Cb 0.33 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1ssm h TRP 117 CO -0.19 0.48 0.00 0.09 -1.03 0.00 0.00 178.44 177.79 1ssm n ASN 118 N -4.65 0.59 -0.66 2.65 3.02 -0.70 -1.70 115.26 113.81 1ssm n ASN 118 Ca 0.10 0.59 0.10 0.00 -0.03 0.00 0.00 54.58 55.34 1ssm n ASN 118 Cb 0.14 -0.74 0.33 0.00 -0.61 0.00 0.00 39.78 38.90 1ssm n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ssm n GLN 119 N -2.09 1.87 -2.12 3.52 1.13 0.20 -4.91 117.38 114.98 1ssm n GLN 119 Ca 0.04 -1.31 -0.21 0.00 -1.94 0.00 0.00 57.00 53.59 1ssm n GLN 119 Cb 0.32 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.24 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 0.53 -5.77 -3.92 1.08 5.15 -0.69 -4.90 115.26 106.74 1ssm n ASN 120 Ca 0.16 0.17 -0.40 0.00 -0.60 0.00 0.00 54.58 53.90 1ssm n ASN 120 Cb 0.37 -4.89 -0.01 0.00 -0.53 0.00 0.00 39.78 34.72 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 -2.79 4.12 -0.07 1.20 1.74 -0.44 -4.87 116.66 115.55 1ssm n ARG 121 Ca -0.23 -4.57 -0.13 0.00 -0.77 0.00 0.00 57.85 52.14 1ssm n ARG 121 Cb 0.69 -2.47 -0.02 0.00 -1.02 0.00 0.00 32.46 29.64 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 5.27 0.84 -0.61 5.56 1.57 -1.86 -2.60 116.57 124.74 1ssm h LYS 122 Ca 0.20 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1ssm h LYS 122 Cb 0.63 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1ssm h LYS 122 CO 1.24 1.14 0.31 0.66 -0.57 0.00 0.00 179.45 182.23 1ssm h SER 123 N 0.65 0.76 0.34 0.86 4.64 -1.97 0.12 113.55 118.96 1ssm h SER 123 Ca 0.03 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.16 1ssm h SER 123 Cb 1.10 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1ssm h SER 123 CO 0.11 0.63 -0.49 0.25 -0.87 0.00 0.00 176.83 176.46 1ssm h LEU 124 N 0.85 0.19 -0.62 5.97 5.85 -1.96 0.53 115.31 126.12 1ssm h LEU 124 Ca 0.21 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 1ssm h LEU 124 Cb 0.06 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ssm h LEU 124 CO -0.03 0.65 -0.66 0.00 -0.34 0.00 0.00 178.44 178.07 1ssm h ALA 125 N 1.35 0.84 0.08 1.25 0.00 -0.87 -2.62 119.26 119.29 1ssm h ALA 125 Ca 0.01 -0.59 -0.26 0.00 0.00 0.00 0.00 54.91 54.07 1ssm h ALA 125 Cb 0.92 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ssm h ALA 125 CO 0.07 0.79 -1.13 -0.07 0.00 0.00 0.00 179.25 178.91 1ssm h LEU 126 N 0.10 0.62 -0.38 0.00 3.38 -0.30 -0.91 115.31 117.82 1ssm h LEU 126 Ca -0.01 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.39 1ssm h LEU 126 Cb 1.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1ssm h LEU 126 CO 0.10 1.39 0.23 0.22 0.09 0.00 0.00 178.44 180.47 1ssm h TYR 127 N 0.20 0.50 -0.22 1.13 3.20 -0.86 -2.45 116.97 118.47 1ssm h TYR 127 Ca -0.13 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.63 1ssm h TYR 127 Cb 1.80 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.90 1ssm h TYR 127 CO 0.08 0.35 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.59 1ssm h LEU 128 N 0.50 0.64 -1.09 2.82 3.38 -1.47 -1.98 115.31 118.10 1ssm h LEU 128 Ca 0.14 -0.50 0.17 0.00 0.09 0.00 0.00 57.88 57.77 1ssm h LEU 128 Cb 0.00 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.48 1ssm h LEU 128 CO -0.03 1.01 0.61 -0.61 0.09 0.00 0.00 178.44 179.52 1ssm h GLN 129 N 0.28 0.75 0.00 1.13 4.15 -1.08 0.14 115.11 120.48 1ssm h GLN 129 Ca 0.03 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 1ssm h GLN 129 Cb 0.86 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 1ssm h GLN 129 CO 0.07 0.50 -0.94 -0.91 -1.93 0.00 0.00 178.83 175.61 1ssm h ASN 130 N 0.77 0.00 0.74 -0.69 2.35 -1.31 -2.53 115.58 114.92 1ssm h ASN 130 Ca 0.54 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.13 1ssm h ASN 130 Cb 0.82 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1ssm h ASN 130 CO -0.32 0.70 -0.75 -0.61 -1.65 0.00 0.00 177.43 174.80 1ssm h GLN 131 N 0.00 0.01 -0.55 0.81 5.75 -0.74 -1.02 115.11 119.36 1ssm h GLN 131 Ca -0.07 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.34 1ssm h GLN 131 Cb 1.59 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.12 1ssm h GLN 131 CO 0.08 0.75 0.01 0.82 -2.65 0.00 0.00 178.83 177.84 1ssm h ILE 132 N 0.00 1.26 -0.55 2.39 2.04 -0.95 0.26 117.51 121.96 1ssm h ILE 132 Ca -0.01 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 1ssm h ILE 132 Cb 1.33 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1ssm h ILE 132 CO 0.10 0.39 -0.10 -1.28 0.00 0.00 0.00 178.15 177.26 1ssm h SER 133 N 0.87 1.04 -0.19 1.72 0.87 -1.02 0.16 113.55 117.01 1ssm h SER 133 Ca 0.16 -0.34 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 1ssm h SER 133 Cb 0.50 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1ssm h SER 133 CO 0.02 1.15 -0.14 0.58 -0.53 0.00 0.00 176.83 177.91 1ssm h VAL 134 N 0.93 1.32 -0.03 2.23 2.07 -0.66 -1.03 116.25 121.08 1ssm h VAL 134 Ca 0.14 -1.25 -0.17 0.00 0.82 0.00 0.00 66.70 66.24 1ssm h VAL 134 Cb 0.67 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1ssm h VAL 134 CO 0.05 0.38 -0.66 0.00 0.02 0.00 0.00 177.57 177.36 1ssm h ALA 135 N 0.66 0.12 -0.00 1.67 0.00 -0.42 -3.38 119.26 117.91 1ssm h ALA 135 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ssm h ALA 135 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ssm h ALA 135 CO 0.04 0.43 -0.23 1.19 0.00 0.00 0.00 179.25 180.67 1ssm n PHE 136 N -4.15 0.00 -2.57 0.00 0.99 0.55 -5.01 117.46 107.27 1ssm n PHE 136 Ca -0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.20 1ssm n PHE 136 Cb 0.69 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.18 1ssm n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1ssm n ASP 137 N -0.73 -4.55 -4.07 4.37 9.92 -0.39 -4.60 116.55 116.51 1ssm n ASP 137 Ca 0.02 -0.12 -0.28 0.00 -0.53 0.00 0.00 54.79 53.88 1ssm n ASP 137 Cb 0.13 -3.54 -0.17 0.00 -0.64 0.00 0.00 41.12 36.91 1ssm n ASP 137 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ssm s VAL 138 N -2.86 1.49 -0.28 2.53 1.01 -1.25 -0.99 120.40 120.04 1ssm s VAL 138 Ca 0.12 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1ssm s VAL 138 Cb -0.05 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.04 1ssm s VAL 138 CO 0.15 0.44 -0.05 -0.62 0.00 0.00 0.00 175.10 175.02 1ssm s ASP 139 N 0.82 4.68 -0.19 3.32 3.68 -0.39 -2.84 116.67 125.76 1ssm s ASP 139 Ca -0.10 -1.35 0.00 0.00 2.13 0.00 0.00 52.55 53.24 1ssm s ASP 139 Cb -0.16 -1.64 0.04 0.00 -1.45 0.00 0.00 42.92 39.72 1ssm s ASP 139 CO 0.01 -0.23 -0.09 -0.63 0.13 0.00 0.00 175.17 174.37 1ssm s ILE 140 N 1.18 1.46 0.24 4.11 1.01 -1.26 0.15 121.20 128.08 1ssm s ILE 140 Ca -0.07 -0.88 -0.31 0.00 0.00 0.00 0.00 60.65 59.39 1ssm s ILE 140 Cb -0.20 -1.57 -0.12 0.00 0.01 0.00 0.00 42.46 40.58 1ssm s ILE 140 CO -0.03 0.15 1.62 1.57 0.00 0.00 0.00 174.94 178.25 1ssm n HIS 141 N 4.75 2.69 -0.30 3.97 -0.00 -0.38 -4.87 115.22 121.08 1ssm n HIS 141 Ca -0.14 0.20 0.15 0.00 -0.00 0.00 0.00 57.72 57.93 1ssm n HIS 141 Cb 0.47 -2.60 0.40 0.00 -0.00 0.00 0.00 29.99 28.25 1ssm n HIS 141 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1ssm h PRO 142 N 5.52 0.62 0.00 1.57 0.11 -1.88 -0.98 132.00 136.96 1ssm h PRO 142 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ssm h PRO 142 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ssm h PRO 142 CO 0.86 0.41 0.00 0.00 -0.21 0.00 0.00 178.00 179.05 1ssm h ALA 143 N 1.61 1.00 -2.79 -0.75 0.00 -1.89 -3.38 119.26 113.06 1ssm h ALA 143 Ca 0.51 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.86 1ssm h ALA 143 Cb 0.94 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.86 1ssm h ALA 143 CO -0.26 0.00 0.47 0.00 0.00 0.00 0.00 179.25 179.45 1ssm n ALA 144 N -1.84 1.21 -2.65 0.00 0.00 -0.37 -4.85 120.51 112.00 1ssm n ALA 144 Ca 0.02 0.20 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1ssm n ALA 144 Cb 0.24 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.31 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 -2.42 3.28 -0.17 0.00 1.02 -0.83 -5.00 119.74 115.62 1ssm s LYS 145 Ca 0.65 -0.78 0.01 0.00 0.02 0.00 0.00 55.97 55.87 1ssm s LYS 145 Cb -0.48 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 33.10 1ssm s LYS 145 CO 0.55 -0.52 -0.16 0.42 -0.92 0.00 0.00 175.35 174.72 1ssm s ILE 146 N 1.66 1.78 0.00 2.17 1.01 -1.26 -0.62 121.20 125.95 1ssm s ILE 146 Ca 0.05 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1ssm s ILE 146 Cb -0.18 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1ssm s ILE 146 CO 0.09 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1ssm n GLY 147 N 4.69 -1.00 3.57 6.18 0.00 0.68 -5.00 105.19 114.32 1ssm n GLY 147 Ca -0.18 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 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 2.45 -0.00 1.61 -3.43 -1.26 -4.71 115.29 109.94 1ssm s HIS 148 Ca 0.00 -0.50 -0.00 0.00 -0.80 0.00 0.00 55.06 53.76 1ssm s HIS 148 Cb 0.00 -1.44 0.00 0.00 -1.43 0.00 0.00 32.58 29.71 1ssm s HIS 148 CO 0.00 0.55 0.00 0.41 -2.00 0.00 0.00 174.74 173.70 1ssm n GLY 149 N -0.85 0.52 0.00 -1.38 0.00 -1.26 -1.99 105.19 100.23 1ssm n GLY 149 Ca -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.61 0.00 -2.88 -0.61 2.08 -1.26 -3.20 119.36 109.88 1ssm n ILE 150 Ca -0.00 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.33 1ssm n ILE 150 Cb 0.50 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 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 0.73 -0.53 0.05 1.39 2.99 -1.26 -4.73 117.98 116.63 1ssm s PHE 152 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 56.93 56.77 1ssm s PHE 152 Cb 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 43.02 43.07 1ssm s PHE 152 CO 0.00 -0.35 0.92 0.34 -0.00 0.00 0.00 175.22 176.14 1ssm s ASP 153 N 2.15 7.38 0.00 1.36 2.15 -0.32 -3.98 116.67 125.41 1ssm s ASP 153 Ca 0.17 1.66 0.00 0.00 0.43 0.00 0.00 52.55 54.81 1ssm s ASP 153 Cb 0.01 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1ssm s ASP 153 CO -0.16 -0.12 0.00 1.41 -0.17 0.00 0.00 175.17 176.13 1ssm n HIS 154 N 3.23 0.00 0.00 -5.34 8.25 -1.26 -3.00 115.22 117.11 1ssm n HIS 154 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1ssm n HIS 154 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.64 -1.41 0.00 -1.26 -4.64 120.51 111.56 1ssm n ALA 155 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 53.44 52.84 1ssm n ALA 155 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.01 0.07 -0.96 0.00 -1.04 -1.26 -1.80 114.28 109.28 1ssm n THR 156 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ssm n THR 156 Cb 0.00 -0.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 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 3.01 0.51 3.76 3.41 0.00 -0.16 -0.42 105.19 115.30 1ssm n GLY 157 Ca 0.24 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1ssm n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ssm s ILE 158 N -2.00 3.85 -0.04 -0.61 1.01 -0.74 -3.93 121.20 118.74 1ssm s ILE 158 Ca 0.00 1.76 -0.01 0.00 0.00 0.00 0.00 60.65 62.40 1ssm s ILE 158 Cb 0.00 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1ssm s ILE 158 CO 0.00 0.34 0.02 -0.69 0.00 0.00 0.00 174.94 174.61 1ssm s VAL 159 N -1.29 0.10 -0.16 2.92 1.01 -0.91 -1.26 120.40 120.81 1ssm s VAL 159 Ca 0.45 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.65 1ssm s VAL 159 Cb -0.26 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1ssm s VAL 159 CO 0.33 0.17 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1ssm s VAL 160 N 1.52 1.87 0.80 2.92 1.01 0.12 -0.67 120.40 127.97 1ssm s VAL 160 Ca -0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1ssm s VAL 160 Cb -0.13 -1.70 0.07 0.00 0.00 0.00 0.00 36.38 34.63 1ssm s VAL 160 CO -0.03 0.51 1.10 -0.83 0.00 0.00 0.00 175.10 175.85 1ssm s GLY 161 N 1.24 1.69 0.26 4.51 0.00 -0.27 -1.25 107.32 113.51 1ssm s GLY 161 Ca 0.02 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.07 1ssm s GLY 161 CO -0.09 0.70 1.70 -2.09 0.00 0.00 0.00 173.10 173.32 1ssm h GLU 162 N -1.26 0.34 -0.67 2.90 4.81 -1.90 -2.09 114.58 116.71 1ssm h GLU 162 Ca -0.43 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1ssm h GLU 162 Cb 1.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1ssm h GLU 162 CO 0.49 0.23 0.00 0.25 -0.73 0.00 0.00 179.01 179.25 1ssm n THR 163 N -5.09 1.33 -1.80 0.32 -2.24 -1.26 -2.94 114.28 102.60 1ssm n THR 163 Ca 0.17 -1.01 -0.34 0.00 -2.27 0.00 0.00 64.05 60.61 1ssm n THR 163 Cb 0.52 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.93 5.06 -0.04 3.42 0.01 -0.79 -4.55 113.70 115.89 1ssm s SER 164 Ca 0.47 2.11 0.03 0.00 1.31 0.00 0.00 55.95 59.87 1ssm s SER 164 Cb 0.27 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.94 1ssm s SER 164 CO 0.27 -1.67 -0.10 -0.69 0.41 0.00 0.00 173.24 171.46 1ssm s VAL 165 N -2.14 0.91 -0.22 3.43 1.01 -0.78 -1.96 120.40 120.64 1ssm s VAL 165 Ca 0.70 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1ssm s VAL 165 Cb -0.23 -0.81 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1ssm s VAL 165 CO 0.39 0.28 0.01 -0.63 0.00 0.00 0.00 175.10 175.15 1ssm s ILE 166 N 0.32 0.97 0.53 2.22 1.01 0.21 -0.38 121.20 126.07 1ssm s ILE 166 Ca -0.06 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 1ssm s ILE 166 Cb -0.11 -1.41 0.12 0.00 0.01 0.00 0.00 42.46 41.08 1ssm s ILE 166 CO 0.01 -0.22 0.71 -0.62 0.00 0.00 0.00 174.94 174.83 1ssm n GLU 167 N 4.87 -0.72 -1.71 2.79 1.02 -0.63 -0.23 120.64 126.04 1ssm n GLU 167 Ca -0.09 -1.10 -0.35 0.00 -0.02 0.00 0.00 57.16 55.60 1ssm n GLU 167 Cb 0.45 -0.74 0.06 0.00 -0.02 0.00 0.00 31.44 31.20 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 -3.60 4.70 -1.45 1.62 0.01 -1.26 -4.09 114.94 110.86 1ssm s ASN 168 Ca 0.40 2.35 -0.08 0.00 -0.71 0.00 0.00 52.86 54.82 1ssm s ASN 168 Cb -0.01 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 39.10 1ssm s ASN 168 CO 0.28 -1.93 0.69 0.47 -1.51 0.00 0.00 177.10 175.10 1ssm n ASP 169 N -2.21 -5.13 -4.87 -1.22 8.00 -0.84 -2.00 116.55 108.29 1ssm n ASP 169 Ca 0.13 -0.43 -0.33 0.00 0.71 0.00 0.00 54.79 54.88 1ssm n ASP 169 Cb 0.50 -4.15 -0.05 0.00 -0.02 0.00 0.00 41.12 37.40 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 -3.13 4.91 -0.06 2.53 1.01 -1.25 -3.41 120.40 120.99 1ssm s VAL 170 Ca 0.42 0.58 0.05 0.00 0.00 0.00 0.00 61.98 63.03 1ssm s VAL 170 Cb -0.21 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1ssm s VAL 170 CO 0.52 0.02 -0.23 -0.44 0.00 0.00 0.00 175.10 174.97 1ssm s SER 171 N -2.17 2.89 -0.04 3.32 0.01 -0.42 -4.50 113.70 112.80 1ssm s SER 171 Ca 0.45 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.23 1ssm s SER 171 Cb -0.12 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.22 1ssm s SER 171 CO 0.20 0.21 -0.07 -0.63 0.41 0.00 0.00 173.24 173.37 1ssm s ILE 172 N -0.02 0.68 0.51 1.44 1.01 -1.26 -0.60 121.20 122.95 1ssm s ILE 172 Ca -0.07 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1ssm s ILE 172 Cb -0.14 -0.65 0.04 0.00 0.01 0.00 0.00 42.46 41.72 1ssm s ILE 172 CO 0.04 0.24 0.70 -0.76 0.00 0.00 0.00 174.94 175.16 1ssm s LEU 173 N 0.60 3.39 0.53 2.97 1.43 -0.87 -1.17 118.68 125.56 1ssm s LEU 173 Ca -0.09 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.33 1ssm s LEU 173 Cb -0.12 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.67 1ssm s LEU 173 CO 0.01 -1.07 0.79 0.00 0.23 0.00 0.00 176.35 176.31 1ssm n GLN 174 N -2.11 0.84 -0.94 1.70 0.00 -1.16 -3.38 117.38 112.33 1ssm n GLN 174 Ca 0.11 0.32 0.00 0.00 0.00 0.00 0.00 57.00 57.42 1ssm n GLN 174 Cb 0.60 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.92 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 1.48 0.39 3.83 2.61 0.00 0.44 -0.74 105.19 113.20 1ssm n GLY 175 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.97 4.92 -0.10 1.61 -7.23 -1.22 -3.81 120.40 112.60 1ssm s VAL 176 Ca 0.00 0.91 0.02 0.00 -1.81 0.00 0.00 61.98 61.10 1ssm s VAL 176 Cb 0.00 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.16 1ssm s VAL 176 CO 0.00 0.48 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.23 1ssm s THR 177 N -1.19 2.85 -0.54 5.32 2.01 -0.44 -2.15 115.64 121.51 1ssm s THR 177 Ca 0.29 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 1ssm s THR 177 Cb -0.17 -2.16 0.14 0.00 0.01 0.00 0.00 72.50 70.33 1ssm s THR 177 CO 0.17 0.55 0.38 -0.76 -0.69 0.00 0.00 174.62 174.26 1ssm s LEU 178 N 0.04 5.54 0.00 4.42 1.43 0.16 -0.75 118.68 129.52 1ssm s LEU 178 Ca -0.06 -2.31 0.00 0.00 -1.03 0.00 0.00 54.13 50.73 1ssm s LEU 178 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1ssm s LEU 178 CO 0.05 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.69 1ssm n GLY 179 N 4.29 6.11 3.73 -3.19 0.00 0.17 -1.11 105.19 115.20 1ssm n GLY 179 Ca 0.01 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1ssm n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ssm s GLY 180 N 0.00 2.71 -0.01 -0.02 0.00 -1.26 -0.65 107.32 108.10 1ssm s GLY 180 Ca 0.00 -1.26 0.22 0.00 0.00 0.00 0.00 44.72 43.68 1ssm s GLY 180 CO 0.00 -2.10 0.53 -1.30 0.00 0.00 0.00 173.10 170.23 1ssm n THR 181 N -1.23 0.08 0.00 0.90 -2.24 -1.26 -4.56 114.28 105.97 1ssm n THR 181 Ca -0.11 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1ssm n THR 181 Cb 0.66 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.26 1.00 3.52 3.38 0.00 -1.26 -5.08 105.19 108.00 1ssm n GLY 182 Ca -0.04 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.48 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 1.31 0.17 1.61 4.01 -1.26 -4.80 118.16 119.20 1ssm n LYS 183 Ca 0.00 0.40 0.13 0.00 -0.51 0.00 0.00 58.31 58.33 1ssm n LYS 183 Cb 0.00 -2.51 0.45 0.00 -0.51 0.00 0.00 35.03 32.46 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 11.59 0.00 -4.09 1.97 4.39 -2.01 -3.46 114.58 122.96 1ssm h GLU 184 Ca -0.33 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.25 1ssm h GLU 184 Cb 1.31 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.81 1ssm h GLU 184 CO 1.00 0.00 -0.59 -1.54 -1.16 0.00 0.00 179.01 176.72 1ssm s SER 185 N -4.96 0.36 0.00 1.42 1.04 -1.26 -5.13 113.70 105.18 1ssm s SER 185 Ca 0.06 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1ssm s SER 185 Cb 0.09 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1ssm s SER 185 CO 0.53 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1ssm n GLY 186 N 0.15 0.09 3.51 7.32 0.00 -1.26 -4.79 105.19 110.19 1ssm n GLY 186 Ca -0.15 -1.91 -0.48 0.00 0.00 0.00 0.00 46.02 43.48 1ssm n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssm n ASP 187 N -0.46 2.60 -0.30 1.61 -0.08 -1.26 -4.67 116.55 113.99 1ssm n ASP 187 Ca 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1ssm n ASP 187 Cb 0.00 -1.39 0.00 0.00 2.34 0.00 0.00 41.12 42.07 1ssm n ASP 187 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ssm n ARG 188 N 8.43 0.00 -4.40 -0.67 1.85 -1.26 -4.73 116.66 115.88 1ssm n ARG 188 Ca 0.37 -0.61 -0.22 0.00 -1.00 0.00 0.00 57.85 56.39 1ssm n ARG 188 Cb 0.32 -0.38 -0.10 0.00 -1.05 0.00 0.00 32.46 31.25 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 2.00 0.42 2.89 3.76 -1.24 -3.48 115.29 119.63 1ssm s HIS 189 Ca 0.00 -0.45 -0.24 0.00 -0.15 0.00 0.00 55.06 54.22 1ssm s HIS 189 Cb 0.00 -0.91 -0.10 0.00 1.11 0.00 0.00 32.58 32.67 1ssm s HIS 189 CO 0.00 0.50 1.04 -2.30 -0.85 0.00 0.00 174.74 173.14 1ssm n PRO 190 N -0.31 1.41 -3.63 8.40 -0.02 0.71 -4.11 135.00 137.45 1ssm n PRO 190 Ca -0.08 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.52 1ssm n PRO 190 Cb 0.59 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.06 2.41 -0.62 -0.52 3.01 0.49 -1.87 119.74 120.59 1ssm s LYS 191 Ca 0.63 -1.95 -0.21 0.00 -1.01 0.00 0.00 55.97 53.43 1ssm s LYS 191 Cb -0.55 -3.82 0.08 0.00 -1.01 0.00 0.00 37.83 32.53 1ssm s LYS 191 CO 0.57 -1.16 0.84 0.08 0.51 0.00 0.00 175.35 176.19 1ssm s VAL 192 N 0.99 4.55 1.18 3.17 1.01 0.48 -0.68 120.40 131.10 1ssm s VAL 192 Ca 0.09 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1ssm s VAL 192 Cb -0.23 -4.58 0.27 0.00 0.00 0.00 0.00 36.38 31.84 1ssm s VAL 192 CO -0.03 -1.28 1.08 -0.13 0.00 0.00 0.00 175.10 174.74 1ssm s ARG 193 N 3.45 -1.04 0.51 2.72 1.81 -0.44 -1.60 118.95 124.36 1ssm s ARG 193 Ca 0.18 0.16 -0.23 0.00 -1.72 0.00 0.00 55.73 54.12 1ssm s ARG 193 Cb -0.20 -1.60 -0.06 0.00 -0.45 0.00 0.00 34.95 32.64 1ssm s ARG 193 CO 0.09 -3.63 1.36 -1.83 -0.68 0.00 0.00 175.30 170.61 1ssm s GLU 194 N -5.19 3.37 0.00 3.54 -1.05 -1.26 -3.07 118.70 115.04 1ssm s GLU 194 Ca 0.69 2.24 0.00 0.00 -0.15 0.00 0.00 54.97 57.75 1ssm s GLU 194 Cb -0.13 -2.40 0.00 0.00 -0.44 0.00 0.00 34.13 31.16 1ssm s GLU 194 CO 0.57 -1.01 0.00 0.41 0.95 0.00 0.00 175.26 176.18 1ssm n GLY 195 N 0.66 0.30 0.00 -3.83 0.00 -0.85 0.14 105.19 101.62 1ssm n GLY 195 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.35 0.00 -3.22 1.61 0.31 -1.17 -4.09 118.33 109.41 1ssm n VAL 196 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1ssm n VAL 196 Cb 0.19 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 31.74 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 -0.72 -0.28 0.85 2.52 1.01 0.23 -1.30 121.20 123.52 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 0.10 0.00 0.01 0.00 0.00 42.46 41.57 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 2.59 1.64 0.09 6.18 0.00 -0.32 -2.06 107.32 115.43 1ssm s GLY 199 Ca -0.02 0.06 -0.36 0.00 0.00 0.00 0.00 44.72 44.40 1ssm s GLY 199 CO -0.14 0.49 1.42 0.00 0.00 0.00 0.00 173.10 174.88 1ssm n ALA 200 N -3.73 -0.34 0.00 3.20 0.00 -1.26 -2.82 120.51 115.56 1ssm n ALA 200 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1ssm n ALA 200 Cb 0.54 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 2.84 2.72 3.76 0.00 0.00 0.08 -0.92 105.19 113.67 1ssm n GLY 201 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.79 3.13 -0.19 4.61 0.00 -1.13 -4.25 121.76 121.15 1ssm s ALA 202 Ca 0.00 1.37 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 1ssm s ALA 202 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1ssm s ALA 202 CO 0.00 -1.15 -0.16 0.15 0.00 0.00 0.00 175.76 174.60 1ssm s LYS 203 N -2.54 3.08 -0.29 0.00 -0.14 -0.23 -1.33 119.74 118.29 1ssm s LYS 203 Ca 0.63 -0.78 0.01 0.00 -1.36 0.00 0.00 55.97 54.47 1ssm s LYS 203 Cb -0.41 -2.67 0.07 0.00 -1.68 0.00 0.00 37.83 33.14 1ssm s LYS 203 CO 0.52 -0.20 -0.03 0.42 -0.76 0.00 0.00 175.35 175.30 1ssm s ILE 204 N 1.31 2.53 -0.10 2.17 1.01 0.07 -0.84 121.20 127.36 1ssm s ILE 204 Ca 0.05 -1.68 0.02 0.00 0.00 0.00 0.00 60.65 59.04 1ssm s ILE 204 Cb -0.13 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1ssm s ILE 204 CO -0.10 -0.18 -0.17 -0.76 0.00 0.00 0.00 174.94 173.72 1ssm s LEU 205 N 1.13 2.48 0.00 2.97 1.43 -0.56 -0.66 118.68 125.47 1ssm s LEU 205 Ca -0.04 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1ssm s LEU 205 Cb -0.20 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1ssm s LEU 205 CO -0.04 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.35 1ssm n GLY 206 N 3.27 1.59 3.33 -3.19 0.00 0.18 -4.54 105.19 105.83 1ssm n GLY 206 Ca -0.18 -2.17 -0.44 0.00 0.00 0.00 0.00 46.02 43.23 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 5.26 -4.24 1.61 5.15 -1.23 -0.21 115.26 121.60 1ssm n ASN 207 Ca 0.00 -3.02 -0.18 0.00 -0.60 0.00 0.00 54.58 50.78 1ssm n ASN 207 Cb 0.00 -1.53 -0.11 0.00 -0.53 0.00 0.00 39.78 37.61 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 0.99 1.33 0.07 -1.44 -4.36 -1.26 -4.95 121.20 111.58 1ssm s ILE 208 Ca 0.41 -1.67 -0.28 0.00 -0.26 0.00 0.00 60.65 58.85 1ssm s ILE 208 Cb -0.01 -1.49 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 1ssm s ILE 208 CO -0.00 -0.38 0.90 -1.61 0.24 0.00 0.00 174.94 174.09 1ssm s GLU 209 N -2.53 4.62 -0.37 0.37 0.41 -1.26 -0.38 118.70 119.55 1ssm s GLU 209 Ca 0.08 1.32 0.01 0.00 -0.41 0.00 0.00 54.97 55.97 1ssm s GLU 209 Cb -0.06 -3.39 0.10 0.00 -1.78 0.00 0.00 34.13 29.01 1ssm s GLU 209 CO 0.03 0.20 0.11 0.08 -0.49 0.00 0.00 175.26 175.19 1ssm s VAL 210 N 0.13 2.69 0.31 2.63 1.01 0.14 -0.25 120.40 127.07 1ssm s VAL 210 Ca 0.45 -2.23 -0.26 0.00 0.00 0.00 0.00 61.98 59.94 1ssm s VAL 210 Cb -0.22 -2.92 -0.14 0.00 0.00 0.00 0.00 36.38 33.09 1ssm s VAL 210 CO 0.27 -0.64 0.72 0.61 0.00 0.00 0.00 175.10 176.06 1ssm n GLY 211 N 4.39 -1.08 3.53 4.51 0.00 0.24 -1.33 105.19 115.45 1ssm n GLY 211 Ca 0.01 0.23 -0.52 0.00 0.00 0.00 0.00 46.02 45.75 1ssm n GLY 211 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ssm n LYS 212 N 0.75 0.66 -1.72 1.61 4.81 -1.26 -1.04 118.16 121.97 1ssm n LYS 212 Ca 0.12 0.24 -0.17 0.00 -0.87 0.00 0.00 58.31 57.63 1ssm n LYS 212 Cb 0.33 -1.67 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 1ssm n LYS 212 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1ssm n TYR 213 N 1.37 -0.44 -1.57 5.64 4.02 0.36 -0.79 117.16 125.74 1ssm n TYR 213 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.77 1ssm n TYR 213 Cb 0.19 -3.11 0.13 0.00 -0.02 0.00 0.00 39.34 36.54 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 -2.53 1.86 -0.03 -0.72 0.00 -0.21 -3.94 121.76 116.19 1ssm s ALA 214 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1ssm s ALA 214 Cb 0.00 -3.02 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1ssm s ALA 214 CO 0.00 -2.24 -0.02 0.15 0.00 0.00 0.00 175.76 173.65 1ssm s LYS 215 N -5.31 0.49 -0.19 0.00 3.01 -0.77 -4.31 119.74 112.66 1ssm s LYS 215 Ca 0.64 -0.04 -0.03 0.00 -1.01 0.00 0.00 55.97 55.53 1ssm s LYS 215 Cb -0.14 -0.57 -0.02 0.00 -1.01 0.00 0.00 37.83 36.09 1ssm s LYS 215 CO 0.53 -0.07 -0.05 0.42 0.51 0.00 0.00 175.35 176.70 1ssm s ILE 216 N 0.73 3.56 0.53 2.17 -1.09 -1.26 -1.10 121.20 124.74 1ssm s ILE 216 Ca -0.08 -0.45 -0.18 0.00 -2.23 0.00 0.00 60.65 57.71 1ssm s ILE 216 Cb -0.11 -2.59 -0.07 0.00 -1.58 0.00 0.00 42.46 38.11 1ssm s ILE 216 CO -0.01 0.46 1.02 -0.83 -1.23 0.00 0.00 174.94 174.35 1ssm s GLY 217 N 0.92 2.23 0.19 6.18 0.00 -0.46 -1.18 107.32 115.20 1ssm s GLY 217 Ca -0.00 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 1ssm s GLY 217 CO 0.01 0.68 0.82 0.00 0.00 0.00 0.00 173.10 174.62 1ssm n ALA 218 N -1.48 -1.98 -0.84 3.20 0.00 -1.26 -2.56 120.51 115.59 1ssm n ALA 218 Ca 0.08 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ssm n ALA 218 Cb 0.53 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.76 -3.32 -4.76 0.00 4.13 -0.10 -4.82 115.26 108.15 1ssm n ASN 219 Ca 0.16 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.08 1ssm n ASN 219 Cb 0.24 -2.60 0.04 0.00 -1.54 0.00 0.00 39.78 35.92 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 5.20 -0.25 6.41 0.01 -1.06 -4.74 113.70 117.19 1ssm s SER 220 Ca 0.00 2.14 0.02 0.00 1.31 0.00 0.00 55.95 59.42 1ssm s SER 220 Cb 0.00 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.72 1ssm s SER 220 CO 0.00 -1.57 -0.11 -0.69 0.41 0.00 0.00 173.24 171.28 1ssm s VAL 221 N -2.04 2.22 -0.34 3.43 1.01 -0.82 -1.07 120.40 122.79 1ssm s VAL 221 Ca 0.71 -1.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1ssm s VAL 221 Cb -0.24 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1ssm s VAL 221 CO 0.36 0.03 0.23 -0.69 0.00 0.00 0.00 175.10 175.03 1ssm s VAL 222 N 1.13 5.14 -0.02 2.92 1.01 -0.02 0.19 120.40 130.75 1ssm s VAL 222 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1ssm s VAL 222 Cb -0.19 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1ssm s VAL 222 CO -0.06 -0.01 0.57 0.18 0.00 0.00 0.00 175.10 175.78 1ssm n LEU 223 N 5.08 1.14 -4.05 3.92 4.77 -1.26 -1.50 117.00 125.11 1ssm n LEU 223 Ca -0.13 -1.13 -0.16 0.00 -0.03 0.00 0.00 56.01 54.57 1ssm n LEU 223 Cb 0.49 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 1ssm n LEU 223 CO 0.36 0.28 -0.42 0.20 -1.33 0.00 0.00 177.39 176.49 1ssm s ASN 224 N -0.14 1.00 0.47 -1.43 0.01 -1.26 -4.99 114.94 108.59 1ssm s ASN 224 Ca 0.00 -0.37 -0.20 0.00 -0.71 0.00 0.00 52.86 51.58 1ssm s ASN 224 Cb 0.00 -0.04 -0.13 0.00 0.41 0.00 0.00 41.25 41.49 1ssm s ASN 224 CO 0.00 -0.05 0.27 -2.65 -1.51 0.00 0.00 177.10 173.17 1ssm n PRO 225 N 2.08 0.28 -4.11 -0.60 -0.02 -1.26 -4.92 135.00 126.46 1ssm n PRO 225 Ca -0.18 0.11 -0.33 0.00 -2.02 0.00 0.00 63.50 61.07 1ssm n PRO 225 Cb 0.56 -1.31 -0.16 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.70 2.19 0.79 -1.45 1.01 0.65 -4.98 120.40 116.91 1ssm s VAL 226 Ca 0.62 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1ssm s VAL 226 Cb -0.55 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 33.96 1ssm s VAL 226 CO 0.60 0.53 1.10 -2.65 0.00 0.00 0.00 175.10 174.68 1ssm n PRO 227 N 4.63 0.27 -1.42 2.72 -0.02 -1.26 0.81 135.00 140.73 1ssm n PRO 227 Ca -0.21 0.16 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1ssm n PRO 227 Cb 0.50 -2.35 0.10 0.00 -0.02 0.00 0.00 33.50 31.72 1ssm n PRO 227 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ssm s GLU 228 N -3.86 2.11 -0.80 -0.52 2.02 -1.26 -2.63 118.70 113.76 1ssm s GLU 228 Ca 0.73 1.81 0.00 0.00 0.02 0.00 0.00 54.97 57.53 1ssm s GLU 228 Cb -0.30 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1ssm s GLU 228 CO 0.51 -1.87 0.00 0.66 0.02 0.00 0.00 175.26 174.58 1ssm n TYR 229 N -2.69 -0.54 -3.77 1.61 4.02 0.03 -4.89 117.16 110.92 1ssm n TYR 229 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.79 1ssm n TYR 229 Cb 0.50 -1.91 -0.02 0.00 -0.02 0.00 0.00 39.34 37.89 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 -1.58 3.86 -0.11 -0.72 0.00 -1.08 -4.86 121.76 117.27 1ssm s ALA 230 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ssm s ALA 230 Cb 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1ssm s ALA 230 CO 0.00 0.29 -0.09 0.99 0.00 0.00 0.00 175.76 176.95 1ssm s THR 231 N -1.98 3.45 -0.03 0.00 2.01 -1.26 -1.84 115.64 115.99 1ssm s THR 231 Ca 0.37 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.89 1ssm s THR 231 Cb -0.10 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1ssm s THR 231 CO 0.30 0.54 -0.23 0.00 -0.69 0.00 0.00 174.62 174.55 1ssm s ALA 232 N -0.06 2.30 -0.12 7.40 0.00 -0.26 0.11 121.76 131.13 1ssm s ALA 232 Ca -0.01 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 1ssm s ALA 232 Cb -0.14 -0.67 0.09 0.00 0.00 0.00 0.00 23.12 22.41 1ssm s ALA 232 CO 0.03 0.54 0.81 0.00 0.00 0.00 0.00 175.76 177.14 1ssm s ALA 233 N -0.64 -1.84 0.00 0.00 0.00 -0.84 -1.35 121.76 117.09 1ssm s ALA 233 Ca 0.10 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1ssm s ALA 233 Cb -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1ssm s ALA 233 CO -0.01 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1ssm n GLY 234 N 1.07 2.25 2.81 0.00 0.00 -1.26 -2.43 105.19 107.63 1ssm n GLY 234 Ca -0.15 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.80 1.52 0.89 1.61 1.01 -1.26 -1.91 120.40 120.46 1ssm s VAL 235 Ca 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 61.98 59.68 1ssm s VAL 235 Cb 0.00 -2.11 0.13 0.00 0.00 0.00 0.00 36.38 34.40 1ssm s VAL 235 CO 0.00 -0.75 1.13 -2.16 0.00 0.00 0.00 175.10 173.32 1ssm s PRO 236 N 0.85 1.30 0.51 2.72 0.04 -1.26 -5.02 135.00 134.15 1ssm s PRO 236 Ca 0.13 0.38 -0.19 0.00 0.04 0.00 0.00 61.00 61.37 1ssm s PRO 236 Cb -0.21 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1ssm s PRO 236 CO -0.10 -2.10 1.02 0.00 0.04 0.00 0.00 177.00 175.86 1ssm s ALA 237 N -3.23 2.89 -0.05 8.56 0.00 0.13 -4.83 121.76 125.23 1ssm s ALA 237 Ca 0.63 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 1ssm s ALA 237 Cb -0.15 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1ssm s ALA 237 CO 0.54 -0.37 0.31 -0.98 0.00 0.00 0.00 175.76 175.26 1ssm s ARG 238 N -3.59 0.57 -0.09 0.00 3.03 -1.02 -4.86 118.95 113.00 1ssm s ARG 238 Ca 0.64 0.01 -0.35 0.00 2.03 0.00 0.00 55.73 58.06 1ssm s ARG 238 Cb -0.14 0.26 -0.13 0.00 -1.03 0.00 0.00 34.95 33.91 1ssm s ARG 238 CO 0.25 -0.13 1.81 -0.89 -1.13 0.00 0.00 175.30 175.21 1ssm n ILE 239 N 1.82 0.45 0.26 4.99 5.41 -1.26 -1.99 119.36 129.03 1ssm n ILE 239 Ca -0.19 -0.08 0.03 0.00 1.00 0.00 0.00 62.75 63.51 1ssm n ILE 239 Cb 0.57 -1.70 0.03 0.00 -0.71 0.00 0.00 39.64 37.82 1ssm n ILE 239 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10