#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sst h THR 2 N 0.00 1.11 -0.00 1.12 2.02 -1.96 0.13 112.91 115.33 1sst h THR 2 Ca 0.00 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.79 1sst h THR 2 Cb 0.00 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1sst h THR 2 CO 0.00 0.11 -0.77 -0.07 0.37 0.00 0.00 175.52 175.16 1sst h LEU 3 N 0.54 0.07 0.37 2.58 4.07 -2.02 -1.09 115.31 119.82 1sst h LEU 3 Ca 0.14 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1sst h LEU 3 Cb -0.04 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1sst h LEU 3 CO -0.03 0.81 -0.18 0.44 -1.08 0.00 0.00 178.44 178.41 1sst h ASP 4 N 0.03 -0.42 -0.87 -0.43 3.32 -1.68 -1.10 116.42 115.28 1sst h ASP 4 Ca -0.01 -0.14 0.08 0.00 0.02 0.00 0.00 57.03 56.97 1sst h ASP 4 Cb 1.35 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.95 1sst h ASP 4 CO 0.10 0.01 0.56 0.58 -1.72 0.00 0.00 179.24 178.78 1sst h VAL 5 N -0.95 1.02 -0.36 -1.35 2.07 -0.85 -1.60 116.25 114.23 1sst h VAL 5 Ca -0.05 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1sst h VAL 5 Cb 0.53 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1sst h VAL 5 CO 0.08 0.17 0.12 -0.25 0.02 0.00 0.00 177.57 177.71 1sst h TRP 6 N 0.92 0.56 -0.76 1.57 -0.00 -1.17 -0.96 115.95 116.11 1sst h TRP 6 Ca 0.38 -0.05 0.01 0.00 -0.00 0.00 0.00 58.89 59.23 1sst h TRP 6 Cb 0.29 -0.16 -0.04 0.00 -0.00 0.00 0.00 29.16 29.25 1sst h TRP 6 CO -0.00 0.54 0.50 1.96 -0.00 0.00 0.00 178.44 181.44 1sst h GLN 7 N 0.42 1.00 -0.41 2.65 1.08 -0.38 -0.10 115.11 119.39 1sst h GLN 7 Ca 0.12 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1sst h GLN 7 Cb 0.24 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1sst h GLN 7 CO -0.01 0.67 0.23 0.45 -0.95 0.00 0.00 178.83 179.22 1sst h HIS 8 N 1.03 0.43 -0.49 2.96 3.86 -1.01 -1.32 115.15 120.61 1sst h HIS 8 Ca 0.28 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 1sst h HIS 8 Cb -0.12 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1sst h HIS 8 CO -0.02 0.24 0.31 0.82 0.86 0.00 0.00 177.93 180.14 1sst h ILE 9 N 0.46 1.14 -0.63 2.45 2.04 -0.42 -1.29 117.51 121.25 1sst h ILE 9 Ca 0.16 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1sst h ILE 9 Cb 0.03 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1sst h ILE 9 CO -0.09 0.13 0.11 0.03 0.00 0.00 0.00 178.15 178.34 1sst h ARG 10 N 0.66 1.02 -0.48 2.37 3.08 -0.80 0.20 114.38 120.43 1sst h ARG 10 Ca 0.18 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 1sst h ARG 10 Cb -0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1sst h ARG 10 CO -0.04 0.94 0.12 0.37 -1.07 0.00 0.00 179.97 180.29 1sst h GLN 11 N 0.96 0.77 0.00 0.04 4.15 -0.93 -1.12 115.11 118.99 1sst h GLN 11 Ca 0.20 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1sst h GLN 11 Cb 0.40 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1sst h GLN 11 CO 0.01 0.76 -0.00 0.93 -1.93 0.00 0.00 178.83 178.59 1sst h GLU 12 N 0.66 -0.00 -0.97 1.69 5.08 -0.96 -2.94 114.58 117.14 1sst h GLU 12 Ca 0.15 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1sst h GLU 12 Cb 0.33 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1sst h GLU 12 CO 0.00 0.32 0.62 0.00 -1.00 0.00 0.00 179.01 178.95 1sst h ALA 13 N 0.68 1.50 -0.84 3.43 0.00 -0.48 0.13 119.26 123.68 1sst h ALA 13 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sst h ALA 13 Cb 0.32 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1sst h ALA 13 CO 0.00 0.31 0.55 -0.22 0.00 0.00 0.00 179.25 179.89 1sst h LYS 14 N 1.04 1.07 0.10 0.00 3.64 -1.09 -0.55 116.57 120.78 1sst h LYS 14 Ca 0.44 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.48 1sst h LYS 14 Cb 0.32 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1sst h LYS 14 CO -0.20 0.71 -1.19 0.93 -2.27 0.00 0.00 179.45 177.43 1sst h GLU 15 N 1.10 0.53 -0.66 1.90 5.08 -1.10 -2.56 114.58 118.87 1sst h GLU 15 Ca 0.32 -0.70 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1sst h GLU 15 Cb -0.07 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1sst h GLU 15 CO -0.09 1.30 0.44 -0.07 -1.00 0.00 0.00 179.01 179.59 1sst h LEU 16 N 0.24 0.75 -0.94 1.33 3.38 -0.57 0.20 115.31 119.69 1sst h LEU 16 Ca -0.16 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 1sst h LEU 16 Cb 1.86 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1sst h LEU 16 CO 0.22 0.54 -0.08 0.00 0.09 0.00 0.00 178.44 179.21 1sst h ALA 17 N 1.25 1.11 -0.13 1.53 0.00 -1.14 -2.13 119.26 119.75 1sst h ALA 17 Ca 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sst h ALA 17 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1sst h ALA 17 CO -0.06 0.56 0.07 0.93 0.00 0.00 0.00 179.25 180.75 1sst h GLU 18 N 0.63 0.18 0.00 0.00 5.08 -0.80 -3.22 114.58 116.45 1sst h GLU 18 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1sst h GLU 18 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1sst h GLU 18 CO 0.03 0.20 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 1sst n ASN 19 N -4.95 0.27 -3.59 1.42 3.02 -0.06 -4.58 115.26 106.79 1sst n ASN 19 Ca -0.05 0.53 -0.29 0.00 -0.03 0.00 0.00 54.58 54.74 1sst n ASN 19 Cb 0.07 -0.60 -0.13 0.00 -0.61 0.00 0.00 39.78 38.51 1sst n ASN 19 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1sst s GLU 20 N -3.04 0.76 0.31 3.52 2.56 -0.82 -5.01 118.70 116.97 1sst s GLU 20 Ca 0.12 -1.40 0.06 0.00 0.00 0.00 0.00 54.97 53.75 1sst s GLU 20 Cb 0.16 -1.72 0.73 0.00 2.00 0.00 0.00 34.13 35.30 1sst s GLU 20 CO 0.53 -1.13 1.79 -1.35 -0.56 0.00 0.00 175.26 174.53 1sst h PRO 21 N 7.27 0.76 0.00 4.30 0.11 -1.81 -1.24 132.00 141.40 1sst h PRO 21 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1sst h PRO 21 Cb 0.97 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1sst h PRO 21 CO 0.39 0.50 0.00 -1.33 -0.21 0.00 0.00 178.00 177.35 1sst n MET 22 N -4.73 0.78 0.00 1.05 2.81 -1.26 -3.28 117.12 112.48 1sst n MET 22 Ca 0.23 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 1sst n MET 22 Cb 0.55 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1sst n MET 22 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1sst n LEU 23 N -0.99 0.06 -0.34 4.03 7.94 -0.54 -4.78 117.00 122.38 1sst n LEU 23 Ca 0.18 -0.30 0.16 0.00 -1.11 0.00 0.00 56.01 54.94 1sst n LEU 23 Cb 0.08 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.40 1sst n LEU 23 CO 0.14 0.02 1.18 0.00 -1.11 0.00 0.00 177.39 177.62 1sst h ALA 24 N 0.00 1.79 -0.34 1.96 0.00 -1.36 -0.23 119.26 121.07 1sst h ALA 24 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sst h ALA 24 Cb 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sst h ALA 24 CO 0.00 -0.20 0.22 0.66 0.00 0.00 0.00 179.25 179.93 1sst h SER 25 N 0.65 0.38 -0.55 0.00 4.64 -1.86 -1.13 113.55 115.67 1sst h SER 25 Ca 0.60 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.93 1sst h SER 25 Cb 1.09 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1sst h SER 25 CO -0.41 0.28 0.35 0.15 -0.87 0.00 0.00 176.83 176.33 1sst h PHE 26 N 0.45 0.66 -0.31 4.77 3.57 -1.41 -0.73 116.94 123.94 1sst h PHE 26 Ca 0.13 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1sst h PHE 26 Cb -0.04 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1sst h PHE 26 CO -0.06 0.39 -0.26 0.74 -2.23 0.00 0.00 178.31 176.89 1sst h PHE 27 N 0.70 0.69 -0.44 0.41 0.05 -1.04 -2.07 116.94 115.25 1sst h PHE 27 Ca 0.21 -0.16 -0.14 0.00 3.82 0.00 0.00 57.97 61.70 1sst h PHE 27 Cb -0.03 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 37.75 1sst h PHE 27 CO -0.05 0.81 -0.28 0.45 -0.18 0.00 0.00 178.31 179.07 1sst h HIS 28 N 0.53 1.12 -0.24 -0.55 3.86 -0.88 -1.16 115.15 117.83 1sst h HIS 28 Ca 0.07 -0.30 -0.20 0.00 -1.16 0.00 0.00 60.37 58.78 1sst h HIS 28 Cb 0.73 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1sst h HIS 28 CO 0.03 1.12 -0.63 0.77 0.86 0.00 0.00 177.93 180.08 1sst h SER 29 N 0.80 0.97 0.16 2.45 0.02 -1.02 -0.56 113.55 116.37 1sst h SER 29 Ca 0.09 -0.57 -0.25 0.00 -0.84 0.00 0.00 61.79 60.23 1sst h SER 29 Cb 0.86 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 63.13 1sst h SER 29 CO 0.08 1.37 -1.15 0.71 -1.14 0.00 0.00 176.83 176.69 1sst h THR 30 N 0.63 1.30 0.00 -2.27 1.35 -1.46 -3.45 112.91 109.01 1sst h THR 30 Ca -0.01 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1sst h THR 30 Cb 1.25 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.68 1sst h THR 30 CO 0.14 0.74 -0.10 -0.38 -0.25 0.00 0.00 175.52 175.67 1sst n ILE 31 N -3.97 0.32 -0.28 6.82 5.41 -0.51 -4.40 119.36 122.75 1sst n ILE 31 Ca -0.18 0.23 0.19 0.00 1.00 0.00 0.00 62.75 63.99 1sst n ILE 31 Cb 0.91 -1.37 0.49 0.00 -0.71 0.00 0.00 39.64 38.96 1sst n ILE 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1sst h LEU 32 N -0.10 0.47 -0.38 1.39 3.38 -1.39 -0.70 115.31 117.97 1sst h LEU 32 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sst h LEU 32 Cb 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1sst h LEU 32 CO 0.00 0.16 0.00 0.07 0.09 0.00 0.00 178.44 178.76 1sst h LYS 33 N 0.45 0.00 -6.61 1.13 2.10 -1.36 -3.45 116.57 108.83 1sst h LYS 33 Ca 0.52 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.68 1sst h LYS 33 Cb 1.24 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1sst h LYS 33 CO -0.23 0.00 -0.11 -1.01 -2.00 0.00 0.00 179.45 176.10 1sst s HIS 34 N -3.23 3.51 -2.00 0.07 3.76 -0.27 -5.03 115.29 112.10 1sst s HIS 34 Ca 0.07 0.52 0.19 0.00 -0.15 0.00 0.00 55.06 55.69 1sst s HIS 34 Cb 0.11 -2.03 0.37 0.00 1.11 0.00 0.00 32.58 32.14 1sst s HIS 34 CO 0.50 0.04 1.31 1.04 -0.85 0.00 0.00 174.74 176.78 1sst n GLN 35 N -1.71 2.32 -3.62 1.40 6.02 -1.26 -5.01 117.38 115.52 1sst n GLN 35 Ca -0.03 -2.13 -0.04 0.00 -0.01 0.00 0.00 57.00 54.80 1sst n GLN 35 Cb 0.55 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.37 1sst n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1sst s ASN 36 N -1.28 -0.19 0.29 1.08 2.20 -1.26 -5.03 114.94 110.75 1sst s ASN 36 Ca 0.33 -0.14 0.01 0.00 -0.94 0.00 0.00 52.86 52.12 1sst s ASN 36 Cb 0.19 0.30 0.54 0.00 -2.00 0.00 0.00 41.25 40.28 1sst s ASN 36 CO 0.26 -0.53 1.86 0.25 -2.94 0.00 0.00 177.10 176.01 1sst h LEU 37 N 2.00 0.94 -1.01 3.54 5.85 -1.95 -1.81 115.31 122.86 1sst h LEU 37 Ca -0.22 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1sst h LEU 37 Cb 1.21 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1sst h LEU 37 CO 0.27 0.53 0.67 1.23 -0.34 0.00 0.00 178.44 180.80 1sst h GLY 38 N 1.02 1.43 1.02 3.75 0.00 -1.96 0.37 103.07 108.70 1sst h GLY 38 Ca 0.47 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1sst h GLY 38 CO -0.23 0.50 -0.14 -1.33 0.00 0.00 0.00 176.54 175.34 1sst h GLY 39 N 1.35 0.91 0.68 4.60 0.00 -1.75 -1.49 103.07 107.38 1sst h GLY 39 Ca 0.37 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1sst h GLY 39 CO -0.09 0.71 -0.03 0.00 0.00 0.00 0.00 176.54 177.14 1sst h ALA 40 N 0.84 0.11 -0.39 3.60 0.00 -1.05 -2.52 119.26 119.86 1sst h ALA 40 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sst h ALA 40 Cb 0.69 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1sst h ALA 40 CO 0.05 -0.15 0.26 1.25 0.00 0.00 0.00 179.25 180.66 1sst h LEU 41 N -0.20 0.44 -0.93 0.00 5.85 -0.29 -0.35 115.31 119.83 1sst h LEU 41 Ca 0.02 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1sst h LEU 41 Cb 0.46 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1sst h LEU 41 CO 0.01 0.32 -0.03 0.77 -0.34 0.00 0.00 178.44 179.17 1sst h SER 42 N 0.52 0.72 -0.06 1.25 4.64 -1.29 0.07 113.55 119.41 1sst h SER 42 Ca 0.14 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1sst h SER 42 Cb -0.06 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1sst h SER 42 CO -0.03 0.81 0.02 0.22 -0.87 0.00 0.00 176.83 176.98 1sst h TYR 43 N 0.70 0.10 -0.22 4.77 5.03 -1.07 -0.00 116.97 126.26 1sst h TYR 43 Ca 0.13 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.45 1sst h TYR 43 Cb 0.48 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 1sst h TYR 43 CO 0.02 0.26 0.09 -0.07 -1.32 0.00 0.00 178.16 177.14 1sst h LEU 44 N -0.09 0.12 -0.41 2.82 3.38 -0.87 -2.34 115.31 117.92 1sst h LEU 44 Ca 0.02 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1sst h LEU 44 Cb 0.21 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1sst h LEU 44 CO -0.00 0.10 -0.13 -0.07 0.09 0.00 0.00 178.44 178.43 1sst h LEU 45 N 0.21 0.83 -0.68 1.67 3.38 -0.90 -2.35 115.31 117.47 1sst h LEU 45 Ca 0.09 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1sst h LEU 45 Cb 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1sst h LEU 45 CO -0.08 1.02 0.44 0.00 0.09 0.00 0.00 178.44 179.91 1sst h ALA 46 N 0.84 0.86 -0.42 1.53 0.00 -0.93 -1.58 119.26 119.56 1sst h ALA 46 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1sst h ALA 46 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1sst h ALA 46 CO 0.05 0.26 -0.03 -0.91 0.00 0.00 0.00 179.25 178.62 1sst h ASN 47 N 0.90 0.66 1.08 0.00 2.35 -1.35 -1.50 115.58 117.73 1sst h ASN 47 Ca 0.25 -0.16 -0.19 0.00 -0.55 0.00 0.00 56.30 55.65 1sst h ASN 47 Cb -0.08 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1sst h ASN 47 CO -0.06 0.75 -0.93 0.11 -1.65 0.00 0.00 177.43 175.64 1sst h LYS 48 N 0.65 0.00 -0.01 0.81 1.57 -1.01 -3.24 116.57 115.34 1sst h LYS 48 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1sst h LYS 48 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1sst h LYS 48 CO 0.02 0.85 -0.33 1.28 -0.57 0.00 0.00 179.45 180.71 1sst n LEU 49 N -3.30 1.36 -4.75 2.94 4.77 -0.63 -4.83 117.00 112.56 1sst n LEU 49 Ca -0.01 -0.43 -0.36 0.00 -0.03 0.00 0.00 56.01 55.19 1sst n LEU 49 Cb 0.90 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.96 1sst n LEU 49 CO 0.45 0.25 0.85 0.00 -1.33 0.00 0.00 177.39 177.61 1sst s ALA 50 N -2.49 2.45 0.32 -1.18 0.00 -0.57 -5.00 121.76 115.30 1sst s ALA 50 Ca 0.23 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 1sst s ALA 50 Cb 0.19 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1sst s ALA 50 CO 0.53 -1.34 0.59 0.54 0.00 0.00 0.00 175.76 176.08 1sst s ASN 51 N -1.63 0.27 0.28 0.00 2.20 -1.05 -4.96 114.94 110.05 1sst s ASN 51 Ca 0.78 -1.15 0.01 0.00 -0.94 0.00 0.00 52.86 51.55 1sst s ASN 51 Cb -0.31 0.70 0.54 0.00 -2.00 0.00 0.00 41.25 40.18 1sst s ASN 51 CO 0.36 -1.37 1.83 -0.65 -2.94 0.00 0.00 177.10 174.32 1sst h PRO 52 N 2.11 0.92 0.01 3.55 0.11 -1.99 -2.83 132.00 133.88 1sst h PRO 52 Ca -0.28 -0.06 -0.23 0.00 0.11 0.00 0.00 66.00 65.55 1sst h PRO 52 Cb 1.25 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sst h PRO 52 CO 0.37 0.61 -0.95 0.82 -0.21 0.00 0.00 178.00 178.63 1sst h ILE 53 N 0.95 1.42 -2.82 4.15 2.04 -2.00 -3.39 117.51 117.85 1sst h ILE 53 Ca 0.49 -2.51 -0.60 0.00 1.00 0.00 0.00 64.86 63.24 1sst h ILE 53 Cb 0.50 2.46 -0.40 0.00 -0.74 0.00 0.00 36.82 38.65 1sst h ILE 53 CO -0.27 0.75 -0.78 -0.04 0.00 0.00 0.00 178.15 177.80 1sst s MET 54 N -3.22 1.16 1.13 2.37 -1.94 -1.09 -5.13 119.30 112.58 1sst s MET 54 Ca -0.05 -1.97 -0.12 0.00 -1.71 0.00 0.00 55.69 51.83 1sst s MET 54 Cb 0.09 -2.07 0.26 0.00 2.01 0.00 0.00 34.83 35.12 1sst s MET 54 CO 0.86 -1.21 1.05 -2.14 -0.01 0.00 0.00 175.02 173.57 1sst s PRO 55 N 0.33 -0.62 0.25 2.03 0.02 -1.09 -2.52 135.00 133.40 1sst s PRO 55 Ca 0.20 0.90 -0.03 0.00 0.02 0.00 0.00 61.00 62.09 1sst s PRO 55 Cb -0.19 -1.58 0.44 0.00 0.02 0.00 0.00 34.50 33.19 1sst s PRO 55 CO -0.04 -3.54 1.80 0.00 -0.33 0.00 0.00 177.00 174.89 1sst h ALA 56 N -2.50 1.20 -0.85 -1.55 0.00 -1.86 -1.23 119.26 112.48 1sst h ALA 56 Ca -0.59 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.44 1sst h ALA 56 Cb 1.33 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1sst h ALA 56 CO 0.50 0.04 0.55 0.97 0.00 0.00 0.00 179.25 181.31 1sst h ILE 57 N 0.74 1.03 -0.02 0.00 2.10 -1.91 -0.33 117.51 119.12 1sst h ILE 57 Ca 0.42 -0.32 -0.13 0.00 1.08 0.00 0.00 64.86 65.91 1sst h ILE 57 Cb 0.45 0.03 0.01 0.00 -1.09 0.00 0.00 36.82 36.22 1sst h ILE 57 CO -0.28 0.17 -0.49 0.28 -1.08 0.00 0.00 178.15 176.75 1sst h SER 58 N 0.92 0.46 -0.08 2.19 0.02 -1.59 -3.21 113.55 112.25 1sst h SER 58 Ca 0.37 -0.74 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1sst h SER 58 Cb 0.26 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1sst h SER 58 CO -0.14 1.14 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.59 1sst h LEU 59 N -0.18 0.27 -1.05 5.07 3.38 -0.89 -2.64 115.31 119.26 1sst h LEU 59 Ca -0.06 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1sst h LEU 59 Cb 1.20 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1sst h LEU 59 CO 0.10 0.34 -0.11 -0.09 0.09 0.00 0.00 178.44 178.77 1sst h ARG 60 N 0.28 0.55 -0.94 1.13 2.43 -1.11 -1.92 114.38 114.80 1sst h ARG 60 Ca 0.06 -0.16 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1sst h ARG 60 Cb 0.24 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 1sst h ARG 60 CO 0.01 0.65 0.60 0.93 -1.51 0.00 0.00 179.97 180.65 1sst h GLU 61 N 0.51 1.09 -0.12 0.20 5.08 -1.47 0.14 114.58 120.01 1sst h GLU 61 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1sst h GLU 61 Cb 0.49 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1sst h GLU 61 CO 0.03 0.72 -0.02 0.82 -1.00 0.00 0.00 179.01 179.56 1sst h ILE 62 N 1.13 1.28 -0.53 3.13 2.04 -1.46 -1.63 117.51 121.47 1sst h ILE 62 Ca 0.39 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1sst h ILE 62 Cb 0.10 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1sst h ILE 62 CO -0.15 0.27 0.18 0.40 0.00 0.00 0.00 178.15 178.85 1sst h ILE 63 N -0.07 1.23 -0.25 -0.67 2.04 -0.92 -2.12 117.51 116.75 1sst h ILE 63 Ca 0.03 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 1sst h ILE 63 Cb 0.43 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1sst h ILE 63 CO 0.01 0.28 -0.07 -0.33 0.00 0.00 0.00 178.15 178.04 1sst h GLU 64 N 0.73 0.39 0.05 2.37 5.08 -0.72 -0.44 114.58 122.05 1sst h GLU 64 Ca 0.17 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1sst h GLU 64 Cb 0.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1sst h GLU 64 CO -0.01 0.48 -0.02 1.49 -1.00 0.00 0.00 179.01 179.95 1sst h GLU 65 N 0.38 -0.06 -0.56 2.33 4.81 -0.87 -0.26 114.58 120.34 1sst h GLU 65 Ca 0.08 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1sst h GLU 65 Cb 0.37 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1sst h GLU 65 CO 0.02 -0.03 0.33 0.00 -0.73 0.00 0.00 179.01 178.60 1sst h ALA 66 N 0.87 0.72 -0.04 2.92 0.00 -0.73 -0.87 119.26 122.14 1sst h ALA 66 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1sst h ALA 66 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sst h ALA 66 CO 0.01 0.05 -0.40 1.88 0.00 0.00 0.00 179.25 180.80 1sst h TYR 67 N 0.66 0.09 -0.17 0.00 0.99 -0.85 0.70 116.97 118.39 1sst h TYR 67 Ca 0.23 -0.02 -0.18 0.00 2.00 0.00 0.00 58.73 60.76 1sst h TYR 67 Cb 0.03 -0.02 0.01 0.00 1.00 0.00 0.00 36.73 37.75 1sst h TYR 67 CO -0.06 0.46 -0.58 0.37 -0.00 0.00 0.00 178.16 178.35 1sst h GLN 68 N 0.07 0.70 -0.13 4.88 5.75 -0.75 -2.46 115.11 123.17 1sst h GLN 68 Ca 0.00 -0.52 -0.17 0.00 -0.15 0.00 0.00 58.65 57.81 1sst h GLN 68 Cb 0.73 0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.37 1sst h GLN 68 CO 0.05 1.14 -0.64 0.77 -2.65 0.00 0.00 178.83 177.50 1sst h SER 69 N 0.40 0.56 -2.33 -0.69 0.02 -0.80 -3.39 113.55 107.31 1sst h SER 69 Ca -0.02 -0.33 -0.59 0.00 -0.84 0.00 0.00 61.79 60.01 1sst h SER 69 Cb 1.21 -0.16 -0.38 0.00 0.14 0.00 0.00 62.40 63.20 1sst h SER 69 CO 0.12 1.06 -0.99 -3.20 -1.14 0.00 0.00 176.83 172.68 1sst n ASN 70 N -3.90 -0.35 0.18 3.07 5.15 0.21 -4.98 115.26 114.65 1sst n ASN 70 Ca -0.04 -2.42 0.18 0.00 -0.60 0.00 0.00 54.58 51.70 1sst n ASN 70 Cb 0.66 -0.56 0.81 0.00 -0.53 0.00 0.00 39.78 40.15 1sst n ASN 70 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1sst h PRO 71 N 5.44 0.00 0.00 1.20 0.11 -1.64 -1.57 132.00 135.54 1sst h PRO 71 Ca 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 1sst h PRO 71 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1sst h PRO 71 CO 0.39 0.00 -0.00 0.66 -0.21 0.00 0.00 178.00 178.84 1sst h SER 72 N 0.00 0.00 -0.53 -2.05 4.64 -1.93 -1.89 113.55 111.79 1sst h SER 72 Ca 0.11 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 1sst h SER 72 Cb 0.73 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.76 1sst h SER 72 CO -0.00 0.00 0.21 0.40 -0.87 0.00 0.00 176.83 176.57 1sst h ILE 73 N 0.00 0.85 -0.67 0.95 2.04 -1.64 -0.28 117.51 118.76 1sst h ILE 73 Ca -0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1sst h ILE 73 Cb 0.15 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1sst h ILE 73 CO 0.00 0.07 0.32 0.40 0.00 0.00 0.00 178.15 178.94 1sst h ILE 74 N 0.41 1.22 -0.75 -0.67 2.04 -1.56 -2.08 117.51 116.12 1sst h ILE 74 Ca 0.25 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1sst h ILE 74 Cb 0.25 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1sst h ILE 74 CO -0.24 0.26 0.42 0.44 0.00 0.00 0.00 178.15 179.03 1sst h ASP 75 N 0.95 0.93 -0.47 1.72 3.32 -1.11 -0.95 116.42 120.81 1sst h ASP 75 Ca 0.23 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1sst h ASP 75 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1sst h ASP 75 CO -0.03 0.75 0.28 0.00 -1.72 0.00 0.00 179.24 178.53 1sst h ALA 77 N 1.65 0.59 -0.50 0.00 0.00 -0.74 -0.52 119.26 119.75 1sst h ALA 77 Ca 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sst h ALA 77 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1sst h ALA 77 CO -0.03 0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.55 1sst h ALA 78 N 1.08 1.42 -0.40 0.00 0.00 -0.70 -2.08 119.26 118.59 1sst h ALA 78 Ca 0.16 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1sst h ALA 78 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1sst h ALA 78 CO -0.02 0.44 -0.29 0.00 0.00 0.00 0.00 179.25 179.38 1sst h ASP 80 N 0.73 0.00 -0.37 0.00 3.32 -0.56 -2.72 116.42 116.83 1sst h ASP 80 Ca 0.08 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1sst h ASP 80 Cb 0.85 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1sst h ASP 80 CO 0.07 0.17 -0.24 0.40 -1.72 0.00 0.00 179.24 177.92 1sst h ILE 81 N 0.00 1.28 -0.01 0.35 2.04 -1.05 -2.65 117.51 117.48 1sst h ILE 81 Ca -0.00 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 1sst h ILE 81 Cb 0.52 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1sst h ILE 81 CO 0.02 0.46 0.00 1.56 0.00 0.00 0.00 178.15 180.20 1sst h GLN 82 N 0.62 0.01 -0.27 2.37 4.20 -1.46 -1.28 115.11 119.30 1sst h GLN 82 Ca 0.08 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1sst h GLN 82 Cb 0.81 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.51 1sst h GLN 82 CO 0.07 0.21 -0.52 0.00 -0.67 0.00 0.00 178.83 177.91 1sst h ALA 83 N 0.80 -0.77 -0.27 3.87 0.00 -1.44 0.94 119.26 122.39 1sst h ALA 83 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1sst h ALA 83 Cb 0.20 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1sst h ALA 83 CO -0.00 -1.04 0.19 0.28 0.00 0.00 0.00 179.25 178.69 1sst h VAL 84 N -0.48 0.89 0.28 0.00 2.07 -1.38 0.65 116.25 118.28 1sst h VAL 84 Ca 0.07 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1sst h VAL 84 Cb 0.64 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1sst h VAL 84 CO -0.51 0.01 -0.13 -0.09 0.02 0.00 0.00 177.57 176.86 1sst h ARG 85 N 0.05 -0.36 -0.13 1.57 2.43 0.81 -3.09 114.38 115.66 1sst h ARG 85 Ca 0.13 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1sst h ARG 85 Cb 0.44 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1sst h ARG 85 CO -0.01 -0.09 -0.31 0.45 -1.51 0.00 0.00 179.97 178.50 1sst h HIS 86 N -1.01 0.56 0.00 2.20 -0.00 0.99 -3.01 115.15 114.87 1sst h HIS 86 Ca -0.04 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1sst h HIS 86 Cb 0.44 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1sst h HIS 86 CO 0.04 0.93 0.00 0.54 -0.00 0.00 0.00 177.93 179.44 1sst n ARG 87 N -4.39 0.48 -3.23 2.45 1.74 0.22 -4.47 116.66 109.46 1sst n ARG 87 Ca -0.07 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.98 1sst n ARG 87 Cb 0.48 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.81 1sst n ARG 87 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sst s ASP 88 N -1.18 -0.74 0.05 0.55 2.15 -1.14 -4.96 116.67 111.41 1sst s ASP 88 Ca 0.00 -0.32 0.03 0.00 0.43 0.00 0.00 52.55 52.68 1sst s ASP 88 Cb 0.00 1.60 0.14 0.00 -0.30 0.00 0.00 42.92 44.36 1sst s ASP 88 CO 0.00 -0.29 0.99 -2.65 -0.17 0.00 0.00 175.17 173.05 1sst n PRO 89 N 5.12 0.02 0.07 4.34 -0.02 -1.26 -0.61 135.00 142.65 1sst n PRO 89 Ca 0.05 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.09 1sst n PRO 89 Cb 0.52 -1.66 0.43 0.00 -0.02 0.00 0.00 33.50 32.77 1sst n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sst n ALA 90 N -1.44 2.42 -3.71 3.55 0.00 -1.26 -4.67 120.51 115.39 1sst n ALA 90 Ca -0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 1sst n ALA 90 Cb 0.11 -1.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.97 1sst n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sst s VAL 91 N -3.08 1.51 -0.00 0.00 1.01 0.22 -5.02 120.40 115.04 1sst s VAL 91 Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1sst s VAL 91 Cb 0.14 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 1sst s VAL 91 CO 0.60 0.44 0.00 -1.84 0.00 0.00 0.00 175.10 174.31 1sst n GLU 92 N 4.30 0.10 -3.61 2.72 0.00 -1.26 -4.74 120.64 118.14 1sst n GLU 92 Ca -0.19 -0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.61 1sst n GLU 92 Cb 0.51 -1.00 -0.06 0.00 0.00 0.00 0.00 31.44 30.89 1sst n GLU 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1sst s LEU 93 N -3.04 4.41 0.34 -1.84 1.43 -1.26 -4.98 118.68 113.74 1sst s LEU 93 Ca -0.00 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 1sst s LEU 93 Cb 0.00 -2.66 0.61 0.00 0.03 0.00 0.00 46.19 44.18 1sst s LEU 93 CO 0.01 0.28 1.88 -0.50 0.23 0.00 0.00 176.35 178.25 1sst h TRP 94 N 4.32 0.54 0.00 0.29 4.06 -1.95 -2.74 115.95 120.48 1sst h TRP 94 Ca -0.51 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.39 1sst h TRP 94 Cb 1.21 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 1sst h TRP 94 CO 0.70 0.52 -0.04 -1.13 -3.56 0.00 0.00 178.44 174.94 1sst n SER 95 N -4.29 0.76 -0.15 -3.49 3.41 -1.26 -3.99 113.62 104.61 1sst n SER 95 Ca 0.02 0.54 -0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1sst n SER 95 Cb 0.23 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1sst n SER 95 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1sst h THR 96 N 0.00 1.18 -0.24 6.66 2.02 -1.89 0.12 112.91 120.75 1sst h THR 96 Ca 0.00 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1sst h THR 96 Cb 0.72 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1sst h THR 96 CO 0.00 0.19 0.06 -0.65 0.37 0.00 0.00 175.52 175.49 1sst h PRO 97 N 0.58 0.38 -0.75 6.66 0.11 -1.74 -0.25 132.00 136.99 1sst h PRO 97 Ca 0.15 -0.09 0.06 0.00 0.11 0.00 0.00 66.00 66.23 1sst h PRO 97 Cb 0.10 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.10 1sst h PRO 97 CO -0.02 0.49 0.45 1.25 -0.21 0.00 0.00 178.00 179.96 1sst h LEU 98 N 0.21 0.69 0.17 2.35 5.85 -1.70 -3.12 115.31 119.76 1sst h LEU 98 Ca 0.07 0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.55 1sst h LEU 98 Cb 0.28 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.21 1sst h LEU 98 CO 0.00 0.45 -1.24 -0.07 -0.34 0.00 0.00 178.44 177.25 1sst h LEU 99 N 0.83 0.55 0.00 2.25 3.38 -0.58 -3.44 115.31 118.30 1sst h LEU 99 Ca 0.33 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1sst h LEU 99 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1sst h LEU 99 CO -0.17 1.57 -0.28 -1.22 0.09 0.00 0.00 178.44 178.44 1sst n TYR 100 N -3.92 0.00 -3.16 1.13 4.02 -0.12 -5.00 117.16 110.11 1sst n TYR 100 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.27 1sst n TYR 100 Cb 0.94 -0.01 -0.07 0.00 -0.02 0.00 0.00 39.34 40.18 1sst n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1sst s LEU 101 N -2.28 4.59 0.55 7.72 1.43 -1.18 -4.92 118.68 124.59 1sst s LEU 101 Ca 0.00 -0.42 0.25 0.00 -1.03 0.00 0.00 54.13 52.93 1sst s LEU 101 Cb 0.01 -2.65 1.58 0.00 0.03 0.00 0.00 46.19 45.16 1sst s LEU 101 CO 0.04 -0.73 2.19 0.07 0.23 0.00 0.00 176.35 178.15 1sst h LYS 102 N 8.84 0.00 -0.51 1.70 2.10 -1.90 -0.78 116.57 126.01 1sst h LYS 102 Ca -0.26 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.28 1sst h LYS 102 Cb 1.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 1sst h LYS 102 CO 0.87 0.03 -0.14 0.78 -2.00 0.00 0.00 179.45 178.99 1sst h GLY 103 N 0.14 1.08 0.93 0.07 0.00 -1.83 0.47 103.07 103.94 1sst h GLY 103 Ca -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 47.33 46.39 1sst h GLY 103 CO 0.00 0.83 0.11 -2.75 0.00 0.00 0.00 176.54 174.73 1sst h PHE 104 N 0.87 0.64 -0.66 5.60 3.57 -1.37 -1.51 116.94 124.06 1sst h PHE 104 Ca 0.13 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sst h PHE 104 Cb 0.71 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1sst h PHE 104 CO 0.05 0.61 0.40 0.45 -2.23 0.00 0.00 178.31 177.58 1sst h HIS 105 N 0.48 0.88 -0.88 0.41 3.86 -0.98 -1.39 115.15 117.53 1sst h HIS 105 Ca 0.12 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1sst h HIS 105 Cb 0.28 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1sst h HIS 105 CO 0.01 0.60 0.53 0.00 0.86 0.00 0.00 177.93 179.93 1sst h ALA 106 N 1.20 1.12 0.27 2.45 0.00 -0.70 0.10 119.26 123.71 1sst h ALA 106 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sst h ALA 106 Cb -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1sst h ALA 106 CO -0.04 0.59 -0.13 0.82 0.00 0.00 0.00 179.25 180.48 1sst h ILE 107 N 1.21 0.77 -0.77 0.00 2.04 -0.73 0.06 117.51 120.09 1sst h ILE 107 Ca 0.32 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.71 1sst h ILE 107 Cb -0.04 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1sst h ILE 107 CO -0.06 0.10 0.51 1.56 0.00 0.00 0.00 178.15 180.26 1sst h GLN 108 N -0.64 0.91 -0.62 2.37 1.08 -1.13 -1.23 115.11 115.86 1sst h GLN 108 Ca -0.04 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1sst h GLN 108 Cb 0.45 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1sst h GLN 108 CO 0.06 0.60 0.23 0.77 -0.95 0.00 0.00 178.83 179.54 1sst h SER 109 N 0.94 0.87 -0.33 1.46 0.02 -0.60 -2.67 113.55 113.24 1sst h SER 109 Ca 0.31 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1sst h SER 109 Cb 0.06 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1sst h SER 109 CO -0.09 0.82 0.10 0.22 -1.14 0.00 0.00 176.83 176.74 1sst h TYR 110 N 0.87 0.17 -0.99 3.45 3.20 0.11 -1.90 116.97 121.88 1sst h TYR 110 Ca 0.20 0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.33 1sst h TYR 110 Cb 0.24 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.40 1sst h TYR 110 CO 0.01 0.06 0.64 0.00 -1.64 0.00 0.00 178.16 177.24 1sst h ARG 111 N 0.23 0.40 -0.10 1.82 3.08 -0.92 0.44 114.38 119.34 1sst h ARG 111 Ca 0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1sst h ARG 111 Cb 0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1sst h ARG 111 CO -0.17 0.27 -0.04 0.82 -1.07 0.00 0.00 179.97 179.77 1sst h ILE 112 N 0.41 1.31 -0.74 2.04 2.04 -1.25 -2.20 117.51 119.13 1sst h ILE 112 Ca 0.54 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 1sst h ILE 112 Cb 1.35 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 39.19 1sst h ILE 112 CO -0.24 0.29 0.45 0.71 0.00 0.00 0.00 178.15 179.36 1sst h THR 113 N -0.15 1.20 -0.88 -0.27 1.35 -0.03 -1.51 112.91 112.62 1sst h THR 113 Ca 0.02 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1sst h THR 113 Cb 0.48 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.03 1sst h THR 113 CO 0.01 0.21 0.50 -0.74 -0.25 0.00 0.00 175.52 175.26 1sst h HIS 114 N 1.01 1.20 -0.08 4.73 -0.00 -0.20 0.27 115.15 122.08 1sst h HIS 114 Ca 0.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 1sst h HIS 114 Cb -0.05 -0.39 -0.00 0.00 -0.00 0.00 0.00 27.41 26.97 1sst h HIS 114 CO 0.00 0.82 -0.00 -0.92 -0.00 0.00 0.00 177.93 177.83 1sst h TYR 115 N 1.23 0.16 -0.27 5.26 3.20 -0.94 -2.11 116.97 123.51 1sst h TYR 115 Ca 0.31 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1sst h TYR 115 Cb 0.00 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1sst h TYR 115 CO 0.01 0.43 0.13 -0.07 -1.64 0.00 0.00 178.16 177.01 1sst h LEU 116 N -0.14 0.19 -0.74 2.82 3.38 -0.86 -1.40 115.31 118.56 1sst h LEU 116 Ca 0.02 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1sst h LEU 116 Cb 0.36 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 1sst h LEU 116 CO 0.01 0.15 0.22 -0.25 0.09 0.00 0.00 178.44 178.65 1sst h TRP 117 N 0.28 0.36 0.00 1.13 2.91 -0.41 0.29 115.95 120.52 1sst h TRP 117 Ca 0.11 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1sst h TRP 117 Cb 0.04 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.64 1sst h TRP 117 CO -0.10 -0.04 0.00 0.09 -1.03 0.00 0.00 178.44 177.36 1sst n ASN 118 N -5.11 0.03 -1.11 2.65 3.02 -0.61 -1.35 115.26 112.78 1sst n ASN 118 Ca 0.14 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.32 1sst n ASN 118 Cb 0.45 -0.51 0.24 0.00 -0.61 0.00 0.00 39.78 39.35 1sst n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sst n GLN 119 N -1.53 2.45 -1.75 3.52 1.13 0.90 -4.93 117.38 117.18 1sst n GLN 119 Ca 0.05 -2.20 -0.14 0.00 -1.94 0.00 0.00 57.00 52.77 1sst n GLN 119 Cb 0.23 -1.51 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 1sst n GLN 119 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1sst n ASN 120 N 1.39 -4.56 -4.16 1.08 5.15 -0.45 -4.92 115.26 108.78 1sst n ASN 120 Ca 0.20 0.21 -0.43 0.00 -0.60 0.00 0.00 54.58 53.95 1sst n ASN 120 Cb 0.58 -3.47 -0.00 0.00 -0.53 0.00 0.00 39.78 36.36 1sst n ASN 120 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1sst n ARG 121 N -2.50 3.86 0.14 1.20 1.74 -0.39 -4.82 116.66 115.88 1sst n ARG 121 Ca -0.15 -4.51 0.01 0.00 -0.77 0.00 0.00 57.85 52.43 1sst n ARG 121 Cb 0.53 -2.52 0.13 0.00 -1.02 0.00 0.00 32.46 29.58 1sst n ARG 121 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1sst h LYS 122 N 6.03 0.00 -0.28 5.56 1.57 -1.86 -2.66 116.57 124.94 1sst h LYS 122 Ca 0.19 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1sst h LYS 122 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1sst h LYS 122 CO 1.14 0.59 -0.39 0.66 -0.57 0.00 0.00 179.45 180.88 1sst h SER 123 N 0.00 0.71 -0.28 0.86 4.64 -1.97 0.32 113.55 117.82 1sst h SER 123 Ca -0.01 -0.31 -0.14 0.00 -0.47 0.00 0.00 61.79 60.86 1sst h SER 123 Cb 1.24 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1sst h SER 123 CO 0.08 1.02 -0.32 0.25 -0.87 0.00 0.00 176.83 176.98 1sst h LEU 124 N 0.55 0.84 -0.41 5.97 5.85 -1.96 -0.28 115.31 125.87 1sst h LEU 124 Ca 0.05 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1sst h LEU 124 Cb 0.92 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1sst h LEU 124 CO 0.08 1.09 0.15 0.00 -0.34 0.00 0.00 178.44 179.42 1sst h ALA 125 N 0.96 0.53 -0.58 1.25 0.00 -1.16 -2.19 119.26 118.07 1sst h ALA 125 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1sst h ALA 125 Cb 0.87 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1sst h ALA 125 CO 0.08 0.15 0.05 -0.07 0.00 0.00 0.00 179.25 179.46 1sst h LEU 126 N 0.51 0.95 -0.17 0.00 3.38 -0.67 0.96 115.31 120.26 1sst h LEU 126 Ca 0.13 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1sst h LEU 126 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1sst h LEU 126 CO -0.01 0.99 -0.02 0.22 0.09 0.00 0.00 178.44 179.71 1sst h TYR 127 N 0.87 -0.05 -0.24 1.13 3.20 -0.90 -2.00 116.97 118.99 1sst h TYR 127 Ca 0.17 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 1sst h TYR 127 Cb 0.47 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1sst h TYR 127 CO 0.03 -0.05 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.37 1sst h LEU 128 N 0.03 0.47 -0.58 2.82 3.38 -1.24 -1.56 115.31 118.62 1sst h LEU 128 Ca 0.08 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 57.79 1sst h LEU 128 Cb 0.11 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.62 1sst h LEU 128 CO -0.16 0.73 -0.21 -0.61 0.09 0.00 0.00 178.44 178.28 1sst h GLN 129 N 0.20 -0.07 0.00 1.13 4.15 -0.60 0.43 115.11 120.36 1sst h GLN 129 Ca 0.06 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 1sst h GLN 129 Cb 0.53 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1sst h GLN 129 CO 0.02 -0.04 -0.53 -0.91 -1.93 0.00 0.00 178.83 175.44 1sst h ASN 130 N -0.07 0.00 0.24 -0.69 2.35 -1.27 -2.33 115.58 113.82 1sst h ASN 130 Ca 0.27 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 1sst h ASN 130 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1sst h ASN 130 CO -0.63 0.53 -0.52 -0.61 -1.65 0.00 0.00 177.43 174.55 1sst h GLN 131 N 0.00 0.32 -0.87 0.81 5.75 -0.09 -2.13 115.11 118.89 1sst h GLN 131 Ca -0.01 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.29 1sst h GLN 131 Cb 1.11 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.64 1sst h GLN 131 CO 0.07 0.76 0.48 0.82 -2.65 0.00 0.00 178.83 178.31 1sst h ILE 132 N 0.25 1.25 -0.64 2.39 2.04 0.26 0.80 117.51 123.85 1sst h ILE 132 Ca 0.01 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1sst h ILE 132 Cb 1.00 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1sst h ILE 132 CO 0.08 0.28 0.28 -1.28 0.00 0.00 0.00 178.15 177.52 1sst h SER 133 N 1.22 0.86 -0.08 1.72 0.87 -1.00 0.11 113.55 117.26 1sst h SER 133 Ca 0.31 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 1sst h SER 133 Cb 0.02 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1sst h SER 133 CO -0.05 0.77 -0.05 0.58 -0.53 0.00 0.00 176.83 177.55 1sst h VAL 134 N 0.89 1.34 -0.24 2.23 2.07 -0.96 0.36 116.25 121.94 1sst h VAL 134 Ca 0.22 -1.12 -0.17 0.00 0.82 0.00 0.00 66.70 66.45 1sst h VAL 134 Cb 0.16 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1sst h VAL 134 CO -0.02 0.31 -0.50 0.00 0.02 0.00 0.00 177.57 177.38 1sst h ALA 135 N 0.60 0.39 -0.00 1.67 0.00 -0.79 -3.37 119.26 117.76 1sst h ALA 135 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sst h ALA 135 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sst h ALA 135 CO 0.01 0.57 -0.06 1.19 0.00 0.00 0.00 179.25 180.96 1sst n PHE 136 N -4.11 0.00 -2.68 0.00 0.99 0.39 -5.00 117.46 107.05 1sst n PHE 136 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.21 1sst n PHE 136 Cb 0.60 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 39.09 1sst n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1sst n ASP 137 N -0.09 -5.49 -4.06 4.37 10.43 0.12 -4.58 116.55 117.24 1sst n ASP 137 Ca 0.02 -0.15 -0.24 0.00 2.57 0.00 0.00 54.79 56.99 1sst n ASP 137 Cb 0.12 -4.42 -0.16 0.00 1.84 0.00 0.00 41.12 38.50 1sst n ASP 137 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1sst s VAL 138 N -3.03 1.17 -0.30 2.53 1.01 -1.25 -1.31 120.40 119.22 1sst s VAL 138 Ca 0.15 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1sst s VAL 138 Cb -0.07 -1.04 0.09 0.00 0.00 0.00 0.00 36.38 35.37 1sst s VAL 138 CO 0.19 0.35 0.06 -0.62 0.00 0.00 0.00 175.10 175.08 1sst s ASP 139 N 0.34 4.19 -0.19 3.32 3.68 -0.43 -2.40 116.67 125.18 1sst s ASP 139 Ca -0.08 -1.70 0.01 0.00 2.13 0.00 0.00 52.55 52.90 1sst s ASP 139 Cb -0.13 -1.13 0.02 0.00 -1.45 0.00 0.00 42.92 40.23 1sst s ASP 139 CO 0.03 -0.37 -0.18 -0.63 0.13 0.00 0.00 175.17 174.14 1sst s ILE 140 N 1.38 2.20 0.28 4.11 1.01 -1.26 -0.41 121.20 128.51 1sst s ILE 140 Ca 0.07 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1sst s ILE 140 Cb -0.18 -1.94 -0.11 0.00 0.01 0.00 0.00 42.46 40.24 1sst s ILE 140 CO -0.17 0.52 1.54 -2.28 0.00 0.00 0.00 174.94 174.55 1sst s HIS 141 N 1.31 2.84 0.61 3.97 5.65 -0.56 -4.86 115.29 124.25 1sst s HIS 141 Ca 0.05 0.87 0.30 0.00 0.25 0.00 0.00 55.06 56.53 1sst s HIS 141 Cb -0.13 -3.98 1.69 0.00 -1.18 0.00 0.00 32.58 28.97 1sst s HIS 141 CO -0.12 -3.27 2.07 -1.35 -0.65 0.00 0.00 174.74 171.41 1sst h PRO 142 N 4.90 0.00 0.00 2.88 0.11 -1.90 -0.99 132.00 137.01 1sst h PRO 142 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sst h PRO 142 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sst h PRO 142 CO 0.79 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 1sst n ALA 143 N -2.25 2.24 -1.66 -0.75 0.00 -1.26 -4.05 120.51 112.78 1sst n ALA 143 Ca 0.02 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1sst n ALA 143 Cb 0.37 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.43 1sst n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sst s ALA 144 N -3.09 2.31 -0.21 0.00 0.00 -0.38 -4.81 121.76 115.58 1sst s ALA 144 Ca 0.11 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 1sst s ALA 144 Cb 0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 1sst s ALA 144 CO 0.56 -1.69 -0.04 0.15 0.00 0.00 0.00 175.76 174.75 1sst s LYS 145 N -3.47 3.41 -0.09 0.00 1.02 -0.31 -4.99 119.74 115.31 1sst s LYS 145 Ca 0.82 -0.61 -0.00 0.00 0.02 0.00 0.00 55.97 56.19 1sst s LYS 145 Cb -0.37 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1sst s LYS 145 CO 0.41 -0.15 -0.06 0.42 -0.92 0.00 0.00 175.35 175.05 1sst s ILE 146 N 1.36 0.86 0.00 2.17 1.01 -1.25 0.84 121.20 126.18 1sst s ILE 146 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.48 1sst s ILE 146 Cb -0.14 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1sst s ILE 146 CO -0.02 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1sst n GLY 147 N 4.77 -0.44 3.77 6.18 0.00 0.18 -4.98 105.19 114.66 1sst n GLY 147 Ca -0.14 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 1sst n GLY 147 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sst s HIS 148 N 0.00 2.21 -0.76 1.61 -3.43 -1.26 -4.60 115.29 109.06 1sst s HIS 148 Ca 0.00 -0.74 -0.01 0.00 -0.80 0.00 0.00 55.06 53.51 1sst s HIS 148 Cb 0.00 -1.85 0.00 0.00 -1.43 0.00 0.00 32.58 29.30 1sst s HIS 148 CO 0.00 0.08 0.17 0.41 -2.00 0.00 0.00 174.74 173.40 1sst n GLY 149 N -1.33 0.06 3.81 -1.38 0.00 -1.26 -0.29 105.19 104.81 1sst n GLY 149 Ca -0.06 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1sst n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sst s ILE 150 N -2.69 4.71 -0.18 -0.61 -1.09 -1.26 -3.37 121.20 116.71 1sst s ILE 150 Ca 0.08 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 1sst s ILE 150 Cb -0.04 -3.91 0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1sst s ILE 150 CO 0.10 0.53 -0.10 -0.32 -1.23 0.00 0.00 174.94 173.93 1sst s MET 151 N -1.16 1.98 -0.65 2.79 -2.45 -0.59 -4.70 119.30 114.51 1sst s MET 151 Ca 0.30 -0.68 -0.06 0.00 -1.25 0.00 0.00 55.69 54.00 1sst s MET 151 Cb -0.20 -2.23 0.17 0.00 1.25 0.00 0.00 34.83 33.83 1sst s MET 151 CO 0.20 -0.37 0.50 -0.06 1.05 0.00 0.00 175.02 176.34 1sst s PHE 152 N 1.47 3.50 -0.21 4.11 2.99 -1.26 -0.54 117.98 128.04 1sst s PHE 152 Ca 0.01 -2.47 -0.29 0.00 0.00 0.00 0.00 56.93 54.18 1sst s PHE 152 Cb -0.15 -3.37 0.00 0.00 0.00 0.00 0.00 43.02 39.51 1sst s PHE 152 CO -0.09 -0.89 1.08 0.34 -0.00 0.00 0.00 175.22 175.65 1sst s ASP 153 N 1.24 7.08 0.00 1.36 2.15 -0.82 -3.96 116.67 123.72 1sst s ASP 153 Ca 0.16 1.44 0.00 0.00 0.43 0.00 0.00 52.55 54.58 1sst s ASP 153 Cb -0.19 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1sst s ASP 153 CO -0.04 -0.67 0.00 1.41 -0.17 0.00 0.00 175.17 175.69 1sst n HIS 154 N 6.29 0.00 0.00 -5.34 8.25 -1.26 -3.03 115.22 120.13 1sst n HIS 154 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1sst n HIS 154 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1sst n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sst n ALA 155 N 0.00 0.00 -1.45 -1.41 0.00 -1.25 -4.67 120.51 111.73 1sst n ALA 155 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.88 1sst n ALA 155 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1sst n ALA 155 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sst n THR 156 N 0.00 0.28 -0.95 0.00 -1.04 -1.26 -1.57 114.28 109.74 1sst n THR 156 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1sst n THR 156 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1sst n THR 156 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sst n GLY 157 N 1.53 0.49 3.73 3.41 0.00 -0.42 -0.07 105.19 113.86 1sst n GLY 157 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1sst n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sst s ILE 158 N -2.26 3.50 -0.07 -0.61 1.01 -0.61 -4.15 121.20 118.01 1sst s ILE 158 Ca 0.00 1.19 -0.00 0.00 0.00 0.00 0.00 60.65 61.84 1sst s ILE 158 Cb 0.00 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.74 1sst s ILE 158 CO 0.00 0.15 -0.04 -0.69 0.00 0.00 0.00 174.94 174.36 1sst s VAL 159 N 0.38 0.65 -0.14 2.92 1.01 -0.15 -1.31 120.40 123.76 1sst s VAL 159 Ca 0.57 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1sst s VAL 159 Cb -0.34 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1sst s VAL 159 CO 0.35 0.28 -0.14 -0.69 0.00 0.00 0.00 175.10 174.90 1sst s VAL 160 N 1.44 1.55 0.80 2.92 1.01 0.46 -0.46 120.40 128.11 1sst s VAL 160 Ca -0.02 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1sst s VAL 160 Cb -0.13 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.88 1sst s VAL 160 CO -0.03 0.45 1.09 -0.83 0.00 0.00 0.00 175.10 175.78 1sst s GLY 161 N 1.36 1.65 0.35 4.51 0.00 -0.34 -1.49 107.32 113.36 1sst s GLY 161 Ca 0.02 0.07 0.14 0.00 0.00 0.00 0.00 44.72 44.95 1sst s GLY 161 CO -0.08 0.47 1.73 -2.09 0.00 0.00 0.00 173.10 173.13 1sst h GLU 162 N -1.20 0.46 -0.46 2.90 4.81 -1.91 -1.68 114.58 117.50 1sst h GLU 162 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1sst h GLU 162 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1sst h GLU 162 CO 0.54 0.31 0.00 0.25 -0.73 0.00 0.00 179.01 179.38 1sst n THR 163 N -4.81 2.26 -2.66 0.32 -2.24 -1.26 -3.18 114.28 102.71 1sst n THR 163 Ca 0.27 -1.51 -0.34 0.00 -2.27 0.00 0.00 64.05 60.20 1sst n THR 163 Cb 0.84 -0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 1sst n THR 163 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1sst s SER 164 N -1.26 6.65 -0.08 3.42 0.01 -0.63 -4.39 113.70 117.42 1sst s SER 164 Ca 0.47 1.84 0.01 0.00 1.31 0.00 0.00 55.95 59.58 1sst s SER 164 Cb 0.35 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 64.04 1sst s SER 164 CO 0.15 -0.56 -0.09 -0.69 0.41 0.00 0.00 173.24 172.46 1sst s VAL 165 N -2.01 0.98 -0.18 3.43 1.01 -0.88 -1.17 120.40 121.59 1sst s VAL 165 Ca 0.64 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1sst s VAL 165 Cb -0.14 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1sst s VAL 165 CO 0.18 0.34 -0.10 -0.63 0.00 0.00 0.00 175.10 174.89 1sst s ILE 166 N 1.16 1.52 0.00 2.22 1.01 0.25 -0.92 121.20 126.44 1sst s ILE 166 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1sst s ILE 166 Cb -0.14 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1sst s ILE 166 CO -0.02 0.24 0.00 -0.62 0.00 0.00 0.00 174.94 174.54 1sst n GLU 167 N 4.75 0.60 -2.04 2.79 1.02 -0.17 0.49 120.64 128.06 1sst n GLU 167 Ca -0.15 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.67 1sst n GLU 167 Cb 0.48 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.91 1sst n GLU 167 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1sst s ASN 168 N -1.01 5.79 -1.44 1.62 0.01 -1.26 -3.94 114.94 114.70 1sst s ASN 168 Ca 0.00 1.81 -0.00 0.00 -0.71 0.00 0.00 52.86 53.96 1sst s ASN 168 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1sst s ASN 168 CO 0.00 -1.16 0.01 0.47 -1.51 0.00 0.00 177.10 174.91 1sst n ASP 169 N -2.03 -4.97 -4.88 -1.22 8.00 0.61 -0.35 116.55 111.71 1sst n ASP 169 Ca 0.09 0.08 -0.31 0.00 0.71 0.00 0.00 54.79 55.35 1sst n ASP 169 Cb 0.53 -4.17 -0.05 0.00 -0.02 0.00 0.00 41.12 37.41 1sst n ASP 169 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sst s VAL 170 N -2.84 4.91 -0.06 2.53 1.01 -1.25 -3.53 120.40 121.18 1sst s VAL 170 Ca 0.01 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1sst s VAL 170 Cb -0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1sst s VAL 170 CO 0.01 -0.16 -0.19 -0.44 0.00 0.00 0.00 175.10 174.32 1sst s SER 171 N -2.55 2.38 -0.07 3.32 0.01 -1.00 -1.54 113.70 114.25 1sst s SER 171 Ca 0.48 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1sst s SER 171 Cb -0.11 -0.79 0.02 0.00 0.21 0.00 0.00 66.02 65.36 1sst s SER 171 CO 0.23 0.15 -0.05 -0.63 0.41 0.00 0.00 173.24 173.36 1sst s ILE 172 N 0.15 0.65 0.65 1.44 1.01 0.30 -1.80 121.20 123.60 1sst s ILE 172 Ca -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1sst s ILE 172 Cb -0.13 -0.70 0.08 0.00 0.01 0.00 0.00 42.46 41.72 1sst s ILE 172 CO 0.04 0.28 0.91 -0.76 0.00 0.00 0.00 174.94 175.41 1sst s LEU 173 N 1.33 3.06 0.71 2.97 1.43 -1.10 -1.95 118.68 125.14 1sst s LEU 173 Ca -0.04 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 1sst s LEU 173 Cb -0.14 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1sst s LEU 173 CO -0.03 -1.53 0.64 0.00 0.23 0.00 0.00 176.35 175.66 1sst n GLN 174 N -2.67 0.36 -0.90 1.70 0.00 -1.17 -3.07 117.38 111.63 1sst n GLN 174 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 57.00 57.27 1sst n GLN 174 Cb 0.60 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.93 1sst n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1sst n GLY 175 N 1.52 0.28 3.75 2.61 0.00 0.90 -0.76 105.19 113.49 1sst n GLY 175 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1sst n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sst s VAL 176 N -1.70 4.48 -0.04 1.61 1.01 -1.18 -3.72 120.40 120.86 1sst s VAL 176 Ca 0.00 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.91 1sst s VAL 176 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1sst s VAL 176 CO 0.00 0.39 -0.20 -0.89 0.00 0.00 0.00 175.10 174.41 1sst s THR 177 N -0.39 1.63 -0.20 3.92 2.01 -0.72 -0.97 115.64 120.92 1sst s THR 177 Ca 0.42 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1sst s THR 177 Cb -0.23 -1.39 0.04 0.00 0.01 0.00 0.00 72.50 70.93 1sst s THR 177 CO 0.27 0.46 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.77 1sst s LEU 178 N -0.07 2.32 0.00 4.42 1.43 0.39 -0.56 118.68 126.61 1sst s LEU 178 Ca -0.03 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1sst s LEU 178 Cb -0.12 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1sst s LEU 178 CO 0.02 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1sst n GLY 179 N 4.65 2.07 3.68 -3.19 0.00 -0.23 -1.20 105.19 110.96 1sst n GLY 179 Ca -0.16 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1sst n GLY 179 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sst s GLY 180 N 0.00 1.68 0.01 -0.02 0.00 -1.26 -0.30 107.32 107.43 1sst s GLY 180 Ca 0.00 -1.66 0.19 0.00 0.00 0.00 0.00 44.72 43.24 1sst s GLY 180 CO 0.00 -1.70 1.60 -1.30 0.00 0.00 0.00 173.10 171.70 1sst n THR 181 N -0.97 0.73 -4.34 0.90 -2.24 -1.26 -4.60 114.28 102.51 1sst n THR 181 Ca -0.06 0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.70 1sst n THR 181 Cb 0.59 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.85 1sst n THR 181 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1sst s HIS 189 N -3.01 1.77 0.87 4.78 4.02 -1.26 -5.07 115.29 117.40 1sst s HIS 189 Ca 0.09 -0.50 -0.16 0.00 1.02 0.00 0.00 55.06 55.51 1sst s HIS 189 Cb 0.12 -0.86 -0.08 0.00 -1.02 0.00 0.00 32.58 30.75 1sst s HIS 189 CO 0.34 0.34 -0.13 -2.30 1.02 0.00 0.00 174.74 174.02 1sst n PRO 190 N 0.04 -0.03 -3.76 8.40 -0.02 -1.13 -4.36 135.00 134.14 1sst n PRO 190 Ca -0.11 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.09 1sst n PRO 190 Cb 0.58 -1.40 -0.15 0.00 -0.02 0.00 0.00 33.50 32.51 1sst n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1sst s LYS 191 N -2.50 0.82 -0.40 -0.52 3.01 -0.67 -2.07 119.74 117.42 1sst s LYS 191 Ca 0.52 -1.02 -0.13 0.00 -1.01 0.00 0.00 55.97 54.33 1sst s LYS 191 Cb -0.26 -2.11 0.03 0.00 -1.01 0.00 0.00 37.83 34.47 1sst s LYS 191 CO 0.72 -0.90 0.26 0.08 0.51 0.00 0.00 175.35 176.01 1sst s VAL 192 N 1.60 4.91 0.97 3.17 1.01 -0.09 -0.19 120.40 131.78 1sst s VAL 192 Ca 0.07 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1sst s VAL 192 Cb -0.17 -3.76 0.17 0.00 0.00 0.00 0.00 36.38 32.62 1sst s VAL 192 CO -0.20 -0.30 1.11 -0.13 0.00 0.00 0.00 175.10 175.58 1sst s ARG 193 N 1.61 0.68 0.46 2.72 1.81 -0.38 -1.00 118.95 124.84 1sst s ARG 193 Ca 0.03 0.44 -0.23 0.00 -1.72 0.00 0.00 55.73 54.25 1sst s ARG 193 Cb -0.19 -1.77 -0.09 0.00 -0.45 0.00 0.00 34.95 32.44 1sst s ARG 193 CO 0.08 -2.55 1.02 -0.85 -0.68 0.00 0.00 175.30 172.33 1sst n GLU 194 N -4.04 1.33 -0.65 3.54 0.28 -1.26 -2.68 120.64 117.17 1sst n GLU 194 Ca 0.06 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.54 1sst n GLU 194 Cb 0.58 -2.10 0.00 0.00 1.43 0.00 0.00 31.44 31.35 1sst n GLU 194 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sst n GLY 195 N 1.17 0.78 0.00 -1.84 0.00 0.53 -1.71 105.19 104.12 1sst n GLY 195 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1sst n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1sst n VAL 196 N -2.00 0.00 -3.81 1.61 0.31 -1.09 -4.14 118.33 109.21 1sst n VAL 196 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1sst n VAL 196 Cb 0.00 -0.55 0.01 0.00 -0.91 0.00 0.00 33.84 32.38 1sst n VAL 196 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1sst s MET 197 N 0.00 0.03 -0.29 5.55 1.75 -1.24 -2.38 119.30 122.72 1sst s MET 197 Ca 0.00 -0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 1sst s MET 197 Cb 0.00 0.01 0.15 0.00 2.84 0.00 0.00 34.83 37.83 1sst s MET 197 CO 0.00 -0.02 0.34 0.42 -0.65 0.00 0.00 175.02 175.11 1sst s ILE 198 N -2.02 -0.49 0.91 10.11 1.09 -0.74 -4.29 121.20 125.78 1sst s ILE 198 Ca 0.24 -0.43 -0.15 0.00 -1.10 0.00 0.00 60.65 59.21 1sst s ILE 198 Cb 0.04 -0.98 -0.03 0.00 -1.06 0.00 0.00 42.46 40.43 1sst s ILE 198 CO -0.05 -0.40 0.08 0.61 -0.10 0.00 0.00 174.94 175.08 1sst n GLY 199 N 5.29 -2.69 3.65 6.18 0.00 -0.51 -2.71 105.19 114.41 1sst n GLY 199 Ca -0.01 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 44.87 1sst n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sst n ALA 200 N -3.04 0.82 -0.71 4.61 0.00 -1.26 -2.19 120.51 118.73 1sst n ALA 200 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1sst n ALA 200 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1sst n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sst n GLY 201 N 2.43 1.30 3.79 0.00 0.00 0.06 -0.24 105.19 112.52 1sst n GLY 201 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1sst n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sst s ALA 202 N -3.41 2.89 -0.19 4.61 0.00 -0.93 -3.97 121.76 120.76 1sst s ALA 202 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1sst s ALA 202 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1sst s ALA 202 CO 0.00 -0.39 -0.07 0.15 0.00 0.00 0.00 175.76 175.45 1sst s LYS 203 N -3.07 1.67 -0.36 0.00 -0.14 0.07 -1.75 119.74 116.15 1sst s LYS 203 Ca 0.66 -0.69 -0.09 0.00 -1.36 0.00 0.00 55.97 54.49 1sst s LYS 203 Cb -0.19 -2.23 0.03 0.00 -1.68 0.00 0.00 37.83 33.75 1sst s LYS 203 CO 0.23 -0.45 0.17 0.42 -0.76 0.00 0.00 175.35 174.96 1sst s ILE 204 N 1.52 4.31 -0.06 2.17 1.01 0.27 -1.36 121.20 129.07 1sst s ILE 204 Ca -0.01 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1sst s ILE 204 Cb -0.16 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 1sst s ILE 204 CO -0.08 -0.20 -0.23 -0.76 0.00 0.00 0.00 174.94 173.68 1sst s LEU 205 N 1.51 2.21 0.00 2.97 1.43 -0.65 -1.07 118.68 125.08 1sst s LEU 205 Ca 0.01 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1sst s LEU 205 Cb -0.19 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1sst s LEU 205 CO 0.05 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1sst n GLY 206 N 2.85 2.71 3.33 -3.19 0.00 0.59 -4.44 105.19 107.04 1sst n GLY 206 Ca -0.17 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 1sst n GLY 206 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sst n ASN 207 N 0.00 3.36 -4.30 1.61 5.15 -1.26 -2.85 115.26 116.97 1sst n ASN 207 Ca 0.00 -2.75 -0.16 0.00 -0.60 0.00 0.00 54.58 51.06 1sst n ASN 207 Cb 0.00 -1.54 -0.10 0.00 -0.53 0.00 0.00 39.78 37.61 1sst n ASN 207 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1sst s ILE 208 N 6.95 1.46 -0.15 -1.44 -4.36 -1.26 -4.99 121.20 117.41 1sst s ILE 208 Ca 0.60 -2.13 -0.05 0.00 -0.26 0.00 0.00 60.65 58.81 1sst s ILE 208 Cb 0.07 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 1sst s ILE 208 CO 0.09 -0.66 0.01 -1.61 0.24 0.00 0.00 174.94 173.01 1sst s GLU 209 N -3.67 3.65 -0.32 0.37 2.02 -1.26 -1.66 118.70 117.82 1sst s GLU 209 Ca 0.19 -0.42 -0.09 0.00 0.02 0.00 0.00 54.97 54.68 1sst s GLU 209 Cb 0.01 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1sst s GLU 209 CO 0.04 0.36 0.13 0.08 0.02 0.00 0.00 175.26 175.89 1sst s VAL 210 N 0.08 4.29 1.01 2.63 1.01 0.74 -0.85 120.40 129.31 1sst s VAL 210 Ca 0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 1sst s VAL 210 Cb -0.13 -3.26 0.19 0.00 0.00 0.00 0.00 36.38 33.18 1sst s VAL 210 CO 0.02 -0.02 1.06 0.61 0.00 0.00 0.00 175.10 176.77 1sst n GLY 211 N 4.93 -1.02 3.74 4.51 0.00 -0.02 -1.25 105.19 116.09 1sst n GLY 211 Ca -0.13 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1sst n GLY 211 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sst n LYS 212 N -4.40 2.44 -1.78 1.61 5.02 -1.26 -2.45 118.16 117.35 1sst n LYS 212 Ca 0.09 0.86 -0.15 0.00 -2.02 0.00 0.00 58.31 57.09 1sst n LYS 212 Cb 0.53 -2.53 -0.04 0.00 -0.02 0.00 0.00 35.03 32.96 1sst n LYS 212 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sst n TYR 213 N 0.36 -0.65 -1.71 2.13 4.02 -0.69 -1.03 117.16 119.59 1sst n TYR 213 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.62 1sst n TYR 213 Cb 0.38 -2.88 0.06 0.00 -0.02 0.00 0.00 39.34 36.88 1sst n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sst s ALA 214 N -2.42 2.63 -0.06 -0.72 0.00 -1.02 -3.98 121.76 116.18 1sst s ALA 214 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1sst s ALA 214 Cb 0.00 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1sst s ALA 214 CO 0.00 -1.35 -0.11 0.15 0.00 0.00 0.00 175.76 174.45 1sst s LYS 215 N -5.23 1.56 -0.17 0.00 1.02 -0.04 -3.71 119.74 113.17 1sst s LYS 215 Ca 0.59 -0.38 -0.05 0.00 0.02 0.00 0.00 55.97 56.15 1sst s LYS 215 Cb -0.13 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.84 1sst s LYS 215 CO 0.53 0.03 -0.01 0.42 -0.92 0.00 0.00 175.35 175.40 1sst s ILE 216 N 0.64 4.07 0.42 2.17 -1.09 -1.26 -0.39 121.20 125.75 1sst s ILE 216 Ca -0.13 -0.29 -0.22 0.00 -2.23 0.00 0.00 60.65 57.78 1sst s ILE 216 Cb -0.15 -2.80 -0.10 0.00 -1.58 0.00 0.00 42.46 37.82 1sst s ILE 216 CO 0.03 0.47 0.98 -0.83 -1.23 0.00 0.00 174.94 174.36 1sst s GLY 217 N 0.50 2.50 0.20 6.18 0.00 0.75 -1.43 107.32 116.02 1sst s GLY 217 Ca -0.02 0.49 -0.31 0.00 0.00 0.00 0.00 44.72 44.88 1sst s GLY 217 CO 0.02 0.81 1.01 0.00 0.00 0.00 0.00 173.10 174.94 1sst n ALA 218 N -0.50 -1.13 -1.24 3.20 0.00 -1.26 -0.96 120.51 118.62 1sst n ALA 218 Ca 0.07 0.45 -0.09 0.00 0.00 0.00 0.00 53.44 53.86 1sst n ALA 218 Cb 0.53 -1.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 1sst n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sst n ASN 219 N 1.76 -5.61 -4.75 0.00 3.02 0.67 -4.82 115.26 105.52 1sst n ASN 219 Ca 0.14 0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.59 1sst n ASN 219 Cb 0.26 -3.99 0.08 0.00 -0.61 0.00 0.00 39.78 35.52 1sst n ASN 219 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sst s SER 220 N -2.28 4.57 -0.43 6.41 0.01 -0.13 -4.72 113.70 117.14 1sst s SER 220 Ca 0.00 2.04 0.02 0.00 1.31 0.00 0.00 55.95 59.32 1sst s SER 220 Cb 0.00 -2.55 0.13 0.00 0.21 0.00 0.00 66.02 63.81 1sst s SER 220 CO 0.00 -1.99 0.21 -0.69 0.41 0.00 0.00 173.24 171.18 1sst s VAL 221 N -2.45 1.58 -0.29 3.43 1.01 -0.36 -0.75 120.40 122.57 1sst s VAL 221 Ca 0.67 -2.50 -0.27 0.00 0.00 0.00 0.00 61.98 59.88 1sst s VAL 221 Cb -0.21 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1sst s VAL 221 CO 0.47 -0.83 0.97 -0.69 0.00 0.00 0.00 175.10 175.03 1sst s VAL 222 N 0.47 4.65 -0.01 2.92 1.01 -0.46 -0.94 120.40 128.03 1sst s VAL 222 Ca 0.16 1.64 0.01 0.00 0.00 0.00 0.00 61.98 63.79 1sst s VAL 222 Cb -0.23 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 1sst s VAL 222 CO -0.04 -0.31 0.02 0.18 0.00 0.00 0.00 175.10 174.95 1sst n LEU 223 N 6.49 0.01 -4.41 3.92 4.77 -1.26 -1.63 117.00 124.90 1sst n LEU 223 Ca 0.09 -0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 55.58 1sst n LEU 223 Cb 0.47 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1sst n LEU 223 CO 0.54 0.00 -0.52 0.20 -1.33 0.00 0.00 177.39 176.28 1sst s ASN 224 N -1.60 3.30 0.74 -1.43 0.01 -1.26 -4.94 114.94 109.75 1sst s ASN 224 Ca -0.00 -0.86 -0.16 0.00 -0.71 0.00 0.00 52.86 51.13 1sst s ASN 224 Cb 0.00 -0.24 -0.01 0.00 0.41 0.00 0.00 41.25 41.41 1sst s ASN 224 CO 0.02 0.10 0.69 -2.65 -1.51 0.00 0.00 177.10 173.75 1sst n PRO 225 N 0.29 0.32 -5.00 -0.60 -0.02 -1.26 -4.86 135.00 123.88 1sst n PRO 225 Ca -0.13 0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.20 1sst n PRO 225 Cb 0.56 -1.98 -0.17 0.00 -0.02 0.00 0.00 33.50 31.89 1sst n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sst s VAL 226 N -1.92 1.87 0.69 -1.45 1.01 -0.03 -4.99 120.40 115.58 1sst s VAL 226 Ca 0.68 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1sst s VAL 226 Cb -0.34 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1sst s VAL 226 CO 0.56 0.52 1.13 -2.84 0.00 0.00 0.00 175.10 174.46 1sst s PRO 227 N 0.50 2.59 0.58 2.72 0.02 -1.26 -0.84 135.00 139.31 1sst s PRO 227 Ca -0.16 1.44 -0.18 0.00 0.02 0.00 0.00 61.00 62.11 1sst s PRO 227 Cb -0.17 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 1sst s PRO 227 CO 0.06 -1.42 0.73 0.39 -0.33 0.00 0.00 177.00 176.43 1sst n GLU 228 N -2.61 0.70 -0.45 5.54 1.02 -1.26 -1.57 120.64 122.00 1sst n GLU 228 Ca 0.11 0.27 -0.01 0.00 -0.02 0.00 0.00 57.16 57.51 1sst n GLU 228 Cb 0.52 -1.91 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1sst n GLU 228 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sst n TYR 229 N -1.66 -0.05 -2.50 -0.32 4.02 -0.20 -4.90 117.16 111.55 1sst n TYR 229 Ca 0.13 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.72 1sst n TYR 229 Cb 0.47 -1.14 -0.01 0.00 -0.02 0.00 0.00 39.34 38.63 1sst n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sst s ALA 230 N -0.49 3.28 -0.31 -0.72 0.00 -0.61 -4.82 121.76 118.10 1sst s ALA 230 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 1sst s ALA 230 Cb 0.00 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.38 1sst s ALA 230 CO 0.00 -0.32 0.01 0.99 0.00 0.00 0.00 175.76 176.44 1sst s THR 231 N -2.73 3.02 -0.16 0.00 2.01 -1.26 -0.86 115.64 115.67 1sst s THR 231 Ca 0.51 -1.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 1sst s THR 231 Cb -0.10 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1sst s THR 231 CO 0.42 -0.13 0.11 0.00 -0.69 0.00 0.00 174.62 174.33 1sst s ALA 232 N 1.25 3.67 -0.02 7.40 0.00 0.47 -0.57 121.76 133.97 1sst s ALA 232 Ca -0.05 -0.69 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 1sst s ALA 232 Cb -0.20 -1.99 0.06 0.00 0.00 0.00 0.00 23.12 20.99 1sst s ALA 232 CO -0.01 0.37 0.56 0.00 0.00 0.00 0.00 175.76 176.68 1sst s ALA 233 N -0.25 -1.44 0.00 0.00 0.00 -0.62 -0.18 121.76 119.27 1sst s ALA 233 Ca 0.10 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1sst s ALA 233 Cb -0.12 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1sst s ALA 233 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1sst n GLY 234 N 0.85 2.55 2.85 0.00 0.00 -1.26 -0.53 105.19 109.65 1sst n GLY 234 Ca -0.19 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 1sst n GLY 234 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sst s VAL 235 N -2.34 1.75 0.86 1.61 1.01 -1.26 -1.22 120.40 120.81 1sst s VAL 235 Ca 0.00 -2.39 -0.12 0.00 0.00 0.00 0.00 61.98 59.47 1sst s VAL 235 Cb 0.00 -2.26 0.11 0.00 0.00 0.00 0.00 36.38 34.22 1sst s VAL 235 CO 0.00 -0.75 1.10 -2.84 0.00 0.00 0.00 175.10 172.61 1sst s PRO 236 N 0.65 1.58 0.32 2.72 0.02 -1.26 -5.01 135.00 134.02 1sst s PRO 236 Ca 0.14 0.61 -0.29 0.00 0.02 0.00 0.00 61.00 61.48 1sst s PRO 236 Cb -0.22 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.34 1sst s PRO 236 CO -0.08 -1.96 1.23 0.00 -0.33 0.00 0.00 177.00 175.86 1sst s ALA 237 N -3.11 3.46 0.04 -1.55 0.00 -0.11 -4.81 121.76 115.67 1sst s ALA 237 Ca 0.62 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.75 1sst s ALA 237 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1sst s ALA 237 CO 0.55 -0.47 -0.13 1.03 0.00 0.00 0.00 175.76 176.74 1sst s ARG 238 N -1.69 0.87 0.03 0.00 1.81 0.31 -4.85 118.95 115.43 1sst s ARG 238 Ca 0.48 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 53.40 1sst s ARG 238 Cb -0.37 -0.86 -0.06 0.00 -0.45 0.00 0.00 34.95 33.21 1sst s ARG 238 CO 0.48 0.21 1.42 0.42 -0.68 0.00 0.00 175.30 177.15 1sst s ILE 239 N -0.95 3.58 0.00 1.52 -1.09 -1.26 -1.58 121.20 121.42 1sst s ILE 239 Ca 0.00 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 1sst s ILE 239 Cb -0.08 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1sst s ILE 239 CO 0.01 0.01 0.38 1.33 -1.23 0.00 0.00 174.94 175.44