#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a22 n PRO 2 N 0.00 -4.15 -3.99 -7.13 -0.04 -1.26 -5.06 135.00 113.36 1a22 n PRO 2 Ca 0.00 -1.29 -0.10 0.00 -0.04 0.00 0.00 63.50 62.07 1a22 n PRO 2 Cb 0.00 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 31.56 1a22 n PRO 2 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1a22 s THR 3 N -2.07 0.21 0.25 0.52 -4.23 -1.26 -5.13 115.64 103.93 1a22 s THR 3 Ca 0.59 -0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 59.96 1a22 s THR 3 Cb -0.10 -0.32 -0.10 0.00 1.34 0.00 0.00 72.50 73.32 1a22 s THR 3 CO 0.50 -0.41 1.35 -0.63 -0.54 0.00 0.00 174.62 174.89 1a22 s ILE 4 N -1.26 2.92 0.28 2.99 -1.09 -1.26 -4.94 121.20 118.83 1a22 s ILE 4 Ca -0.13 0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 58.80 1a22 s ILE 4 Cb -0.09 -3.51 -0.13 0.00 -1.58 0.00 0.00 42.46 37.15 1a22 s ILE 4 CO -0.01 0.14 1.29 -2.65 -1.23 0.00 0.00 174.94 172.49 1a22 n PRO 5 N 2.07 1.91 0.00 2.79 -0.02 -1.26 -4.87 135.00 135.61 1a22 n PRO 5 Ca 0.05 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.33 1a22 n PRO 5 Cb 0.42 -2.25 0.41 0.00 -0.02 0.00 0.00 33.50 32.05 1a22 n PRO 5 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1a22 n LEU 6 N 1.54 0.40 -0.25 2.45 4.77 -1.26 -4.50 117.00 120.16 1a22 n LEU 6 Ca 0.09 0.11 0.06 0.00 -0.03 0.00 0.00 56.01 56.24 1a22 n LEU 6 Cb 0.33 -0.30 0.19 0.00 -2.33 0.00 0.00 43.42 41.30 1a22 n LEU 6 CO 0.62 0.09 0.94 0.77 -1.33 0.00 0.00 177.39 178.48 1a22 h SER 7 N 0.17 0.03 -0.49 -1.43 4.64 -1.89 0.01 113.55 114.59 1a22 h SER 7 Ca 0.00 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 1a22 h SER 7 Cb 0.48 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1a22 h SER 7 CO 0.00 -0.03 0.28 -0.09 -0.87 0.00 0.00 176.83 176.11 1a22 h ARG 8 N 0.28 0.67 0.15 4.77 2.43 -1.99 0.17 114.38 120.86 1a22 h ARG 8 Ca 0.42 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1a22 h ARG 8 Cb 0.72 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1a22 h ARG 8 CO -0.51 0.52 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.33 1a22 h LEU 9 N 0.65 -0.17 -0.74 3.80 4.07 -1.71 -1.48 115.31 119.73 1a22 h LEU 9 Ca 0.17 -0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.03 1a22 h LEU 9 Cb 0.03 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 1a22 h LEU 9 CO -0.03 0.04 0.45 -0.26 -1.08 0.00 0.00 178.44 177.57 1a22 h PHE 10 N -0.38 0.84 -0.84 1.13 0.04 -0.88 -1.01 116.94 115.85 1a22 h PHE 10 Ca -0.02 0.02 0.09 0.00 2.80 0.00 0.00 57.97 60.86 1a22 h PHE 10 Cb 0.30 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 38.11 1a22 h PHE 10 CO -0.01 0.45 0.49 -0.44 -0.60 0.00 0.00 178.31 178.20 1a22 h ASP 11 N 0.86 0.72 0.27 2.17 5.19 -0.42 0.45 116.42 125.65 1a22 h ASP 11 Ca 0.31 0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.57 1a22 h ASP 11 Cb 0.09 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 1a22 h ASP 11 CO -0.14 0.42 -0.75 0.78 -3.12 0.00 0.00 179.24 176.44 1a22 h ASN 12 N 0.84 0.48 -0.34 6.45 2.35 -0.16 -2.78 115.58 122.43 1a22 h ASN 12 Ca 0.39 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1a22 h ASN 12 Cb 0.32 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1a22 h ASN 12 CO -0.23 1.07 0.05 0.00 -1.65 0.00 0.00 177.43 176.67 1a22 h ALA 13 N 0.92 0.45 0.00 -0.83 0.00 -0.60 -2.94 119.26 116.26 1a22 h ALA 13 Ca -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1a22 h ALA 13 Cb 1.33 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a22 h ALA 13 CO 0.13 0.15 -0.06 1.98 0.00 0.00 0.00 179.25 181.45 1a22 h MET 14 N 0.39 0.00 0.23 0.00 1.85 -0.93 -1.60 114.93 114.86 1a22 h MET 14 Ca 0.10 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.86 1a22 h MET 14 Cb 0.35 0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.41 1a22 h MET 14 CO 0.01 0.06 -1.46 1.25 -0.40 0.00 0.00 176.91 176.37 1a22 h LEU 15 N 0.00 0.75 -0.21 3.39 6.46 -1.33 -3.09 115.31 121.27 1a22 h LEU 15 Ca -0.00 -0.82 -0.05 0.00 -0.12 0.00 0.00 57.88 56.89 1a22 h LEU 15 Cb 0.46 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1a22 h LEU 15 CO 0.01 1.65 -0.08 0.03 -0.62 0.00 0.00 178.44 179.42 1a22 h ARG 16 N 0.13 0.43 -0.77 1.25 -0.00 -1.31 -2.00 114.38 112.11 1a22 h ARG 16 Ca -0.24 -0.18 0.05 0.00 -0.50 0.00 0.00 59.98 59.11 1a22 h ARG 16 Cb 2.13 -0.02 -0.05 0.00 0.00 0.00 0.00 29.97 32.04 1a22 h ARG 16 CO 0.26 0.70 0.51 0.00 0.00 0.00 0.00 179.97 181.43 1a22 h ALA 17 N 0.72 1.59 0.00 0.04 0.00 -1.42 0.94 119.26 121.14 1a22 h ALA 17 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1a22 h ALA 17 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1a22 h ALA 17 CO 0.03 0.31 -0.49 1.25 0.00 0.00 0.00 179.25 180.35 1a22 h HIS 18 N 0.89 0.00 -0.04 0.00 -0.00 -1.51 -0.61 115.15 113.88 1a22 h HIS 18 Ca 0.32 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.64 1a22 h HIS 18 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1a22 h HIS 18 CO -0.00 0.49 -0.18 -0.09 -0.00 0.00 0.00 177.93 178.14 1a22 h ARG 19 N 0.00 0.19 0.03 5.26 1.12 -0.49 -0.98 114.38 119.51 1a22 h ARG 19 Ca -0.00 -0.15 -0.00 0.00 -1.11 0.00 0.00 59.98 58.71 1a22 h ARG 19 Cb 1.29 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 1a22 h ARG 19 CO 0.06 0.81 -0.02 -0.07 -3.11 0.00 0.00 179.97 177.65 1a22 h LEU 20 N -0.39 -0.04 -0.75 3.80 3.38 -0.83 -0.90 115.31 119.59 1a22 h LEU 20 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1a22 h LEU 20 Cb 0.85 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1a22 h LEU 20 CO 0.04 0.04 0.47 -0.74 0.09 0.00 0.00 178.44 178.34 1a22 h HIS 21 N -0.12 0.97 -0.96 1.13 2.76 -1.20 -1.05 115.15 116.68 1a22 h HIS 21 Ca -0.00 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1a22 h HIS 21 Cb 0.11 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 1a22 h HIS 21 CO -0.05 0.64 0.63 0.37 -1.30 0.00 0.00 177.93 178.22 1a22 h GLN 22 N 1.02 1.21 -0.38 5.26 4.15 -0.83 0.15 115.11 125.68 1a22 h GLN 22 Ca 0.27 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 1a22 h GLN 22 Cb -0.07 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.34 1a22 h GLN 22 CO -0.05 0.80 -0.24 -0.07 -1.93 0.00 0.00 178.83 177.33 1a22 h LEU 23 N 1.24 0.87 0.34 -2.39 4.07 -0.70 -2.17 115.31 116.57 1a22 h LEU 23 Ca 0.37 -0.43 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1a22 h LEU 23 Cb -0.05 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.45 1a22 h LEU 23 CO -0.11 1.11 -0.17 0.00 -1.08 0.00 0.00 178.44 178.20 1a22 h ALA 24 N 0.79 -0.46 -0.75 1.53 0.00 -0.71 -0.72 119.26 118.93 1a22 h ALA 24 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a22 h ALA 24 Cb 0.81 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1a22 h ALA 24 CO 0.07 -0.75 0.44 0.35 0.00 0.00 0.00 179.25 179.36 1a22 h PHE 25 N -0.48 1.01 0.08 0.00 3.04 -1.02 -1.04 116.94 118.53 1a22 h PHE 25 Ca -0.05 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1a22 h PHE 25 Cb 0.37 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.55 1a22 h PHE 25 CO -0.05 0.69 -0.04 -0.44 -2.02 0.00 0.00 178.31 176.45 1a22 h ASP 26 N 1.04 -0.10 -0.78 0.41 3.32 -1.38 -2.68 116.42 116.24 1a22 h ASP 26 Ca 0.27 -0.50 0.17 0.00 0.02 0.00 0.00 57.03 56.99 1a22 h ASP 26 Cb -0.01 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 39.43 1a22 h ASP 26 CO -0.05 0.53 -0.07 0.74 -1.72 0.00 0.00 179.24 178.68 1a22 h THR 27 N -0.81 0.27 -0.42 0.35 2.02 -1.11 -0.65 112.91 112.54 1a22 h THR 27 Ca -0.01 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1a22 h THR 27 Cb 0.59 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1a22 h THR 27 CO 0.02 0.01 -0.04 0.22 0.37 0.00 0.00 175.52 176.10 1a22 h TYR 28 N 0.06 0.85 -0.39 3.16 5.03 -1.28 -2.58 116.97 121.82 1a22 h TYR 28 Ca 0.41 -0.16 0.03 0.00 2.58 0.00 0.00 58.73 61.59 1a22 h TYR 28 Cb 0.71 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.75 1a22 h TYR 28 CO -0.50 0.85 0.20 0.37 -1.32 0.00 0.00 178.16 177.76 1a22 h GLN 29 N 0.60 0.40 0.21 1.82 4.15 -0.83 -1.15 115.11 120.31 1a22 h GLN 29 Ca 0.12 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1a22 h GLN 29 Cb 0.54 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 1a22 h GLN 29 CO 0.03 0.26 -0.38 1.49 -1.93 0.00 0.00 178.83 178.30 1a22 h GLU 30 N 0.41 -0.65 -0.41 1.69 4.81 -0.95 0.17 114.58 119.65 1a22 h GLU 30 Ca 0.16 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1a22 h GLU 30 Cb 0.06 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1a22 h GLU 30 CO -0.11 -0.43 0.26 0.35 -0.73 0.00 0.00 179.01 178.35 1a22 h PHE 31 N -0.67 0.52 -0.53 0.92 3.04 -1.41 -2.35 116.94 116.47 1a22 h PHE 31 Ca 0.01 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1a22 h PHE 31 Cb 0.66 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1a22 h PHE 31 CO -0.29 0.35 0.19 1.49 -2.02 0.00 0.00 178.31 178.03 1a22 h GLU 32 N 0.55 0.77 0.00 1.11 4.81 -0.89 -1.30 114.58 119.63 1a22 h GLU 32 Ca 0.15 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1a22 h GLU 32 Cb -0.03 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1a22 h GLU 32 CO -0.03 0.65 0.00 0.39 -0.73 0.00 0.00 179.01 179.29 1a22 n GLU 33 N -4.32 0.79 0.00 1.92 1.02 0.58 -1.90 120.64 118.72 1a22 n GLU 33 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1a22 n GLU 33 Cb 0.18 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1a22 n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a22 n ALA 34 N -0.77 1.90 -0.08 0.62 0.00 -0.73 -4.91 120.51 116.55 1a22 n ALA 34 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1a22 n ALA 34 Cb 0.05 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1a22 n ALA 34 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a22 n TYR 35 N -1.99 0.00 -3.90 0.00 4.02 -0.57 -4.99 117.16 109.73 1a22 n TYR 35 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 1a22 n TYR 35 Cb 0.40 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.57 1a22 n TYR 35 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1a22 s ILE 36 N -0.49 1.91 0.31 -0.72 -1.09 -0.80 -5.05 121.20 115.28 1a22 s ILE 36 Ca 0.00 -2.37 -0.27 0.00 -2.23 0.00 0.00 60.65 55.77 1a22 s ILE 36 Cb 0.00 -2.39 -0.09 0.00 -1.58 0.00 0.00 42.46 38.40 1a22 s ILE 36 CO 0.00 -0.70 0.98 -2.16 -1.23 0.00 0.00 174.94 171.83 1a22 s PRO 37 N 0.73 4.59 0.45 2.79 0.04 -1.26 -4.74 135.00 137.60 1a22 s PRO 37 Ca 0.13 1.46 0.39 0.00 0.04 0.00 0.00 61.00 63.03 1a22 s PRO 37 Cb -0.21 -2.93 1.41 0.00 0.04 0.00 0.00 34.50 32.82 1a22 s PRO 37 CO -0.09 0.26 1.30 1.63 0.04 0.00 0.00 177.00 180.15 1a22 n LYS 38 N 0.77 -0.01 0.05 4.56 4.76 -1.26 -0.27 118.16 126.76 1a22 n LYS 38 Ca 0.01 0.93 -0.12 0.00 -2.87 0.00 0.00 58.31 56.26 1a22 n LYS 38 Cb 0.49 -2.09 -0.07 0.00 -1.84 0.00 0.00 35.03 31.52 1a22 n LYS 38 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1a22 h GLU 39 N 0.00 -0.03 -0.21 1.97 4.11 -2.00 -1.47 114.58 116.95 1a22 h GLU 39 Ca 0.78 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 60.10 1a22 h GLU 39 Cb 3.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 32.26 1a22 h GLU 39 CO -0.08 -0.00 -0.36 1.96 0.07 0.00 0.00 179.01 180.59 1a22 h GLN 40 N -0.04 0.45 -0.18 1.06 4.20 -1.00 -2.65 115.11 116.96 1a22 h GLN 40 Ca -0.00 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1a22 h GLN 40 Cb 0.03 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1a22 h GLN 40 CO 0.00 0.76 0.04 -0.22 -0.67 0.00 0.00 178.83 178.74 1a22 h LYS 41 N 0.38 0.11 -0.17 1.46 3.64 -1.29 0.11 116.57 120.82 1a22 h LYS 41 Ca 0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1a22 h LYS 41 Cb 0.82 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1a22 h LYS 41 CO 0.07 0.08 0.09 1.88 -2.27 0.00 0.00 179.45 179.30 1a22 h TYR 42 N 0.12 0.23 0.00 1.91 0.05 -1.08 0.11 116.97 118.31 1a22 h TYR 42 Ca 0.08 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1a22 h TYR 42 Cb 0.06 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 1a22 h TYR 42 CO -0.13 0.21 -0.11 0.66 -1.05 0.00 0.00 178.16 177.75 1a22 h SER 43 N 0.18 0.00 -0.14 3.88 4.64 -1.38 0.15 113.55 120.87 1a22 h SER 43 Ca 0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 1a22 h SER 43 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1a22 h SER 43 CO -0.01 0.11 -0.27 0.15 -0.87 0.00 0.00 176.83 175.94 1a22 h PHE 44 N 0.00 0.54 -0.49 4.77 3.57 0.39 -3.06 116.94 122.67 1a22 h PHE 44 Ca -0.00 -0.19 -0.12 0.00 3.53 0.00 0.00 57.97 61.18 1a22 h PHE 44 Cb 0.45 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1a22 h PHE 44 CO 0.00 0.89 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.73 1a22 h LEU 45 N 0.04 0.99 0.00 0.59 3.38 0.14 -2.95 115.31 117.50 1a22 h LEU 45 Ca 0.01 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1a22 h LEU 45 Cb 0.85 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1a22 h LEU 45 CO 0.06 1.14 0.00 0.00 0.09 0.00 0.00 178.44 179.73 1a22 n GLN 46 N -4.16 0.92 -3.78 1.13 6.02 0.44 -4.33 117.38 113.62 1a22 n GLN 46 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1a22 n GLN 46 Cb 0.43 -1.37 -0.13 0.00 1.02 0.00 0.00 30.24 30.19 1a22 n GLN 46 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1a22 s ASN 47 N -1.76 3.85 0.56 1.08 3.84 -1.11 -4.99 114.94 116.41 1a22 s ASN 47 Ca 0.33 -2.88 0.31 0.00 0.21 0.00 0.00 52.86 50.83 1a22 s ASN 47 Cb 0.15 -1.24 1.47 0.00 -0.55 0.00 0.00 41.25 41.08 1a22 s ASN 47 CO 0.25 -0.23 1.86 -0.65 -2.79 0.00 0.00 177.10 175.54 1a22 h PRO 48 N 6.48 0.00 0.00 0.43 0.11 -1.79 -0.29 132.00 136.95 1a22 h PRO 48 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1a22 h PRO 48 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1a22 h PRO 48 CO 0.56 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.31 1a22 h GLN 49 N 0.00 0.00 0.00 1.05 7.50 -1.91 0.28 115.11 122.03 1a22 h GLN 49 Ca 0.37 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 59.40 1a22 h GLN 49 Cb 1.63 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.14 1a22 h GLN 49 CO -0.00 0.00 -1.48 2.41 -1.50 0.00 0.00 178.83 178.26 1a22 n THR 50 N -2.88 0.48 -0.03 -0.54 -1.04 -0.19 -4.81 114.28 105.28 1a22 n THR 50 Ca -0.02 -0.24 -0.03 0.00 -2.04 0.00 0.00 64.05 61.72 1a22 n THR 50 Cb 0.13 -0.81 -0.13 0.00 -1.82 0.00 0.00 70.33 67.70 1a22 n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1a22 n SER 51 N -2.49 0.47 -4.63 8.00 3.41 -0.76 -4.86 113.62 112.76 1a22 n SER 51 Ca -0.13 0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 58.26 1a22 n SER 51 Cb 0.69 0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 65.26 1a22 n SER 51 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1a22 s LEU 52 N -5.57 3.93 0.47 1.04 2.96 0.95 -4.96 118.68 117.50 1a22 s LEU 52 Ca -0.06 1.81 -0.22 0.00 -0.22 0.00 0.00 54.13 55.44 1a22 s LEU 52 Cb 0.08 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.17 1a22 s LEU 52 CO 0.83 -1.30 1.08 0.00 -1.32 0.00 0.00 176.35 175.64 1a22 h PHE 54 N 1.81 1.07 -0.06 0.00 -0.00 -1.92 -1.96 116.94 115.88 1a22 h PHE 54 Ca -0.49 -0.09 0.02 0.00 -0.00 0.00 0.00 57.97 57.41 1a22 h PHE 54 Cb 1.23 -0.32 -0.00 0.00 -0.00 0.00 0.00 35.95 36.86 1a22 h PHE 54 CO 0.55 0.84 0.08 0.66 -0.00 0.00 0.00 178.31 180.44 1a22 h SER 55 N 1.00 0.00 0.01 -0.68 4.64 -1.92 -2.88 113.55 113.72 1a22 h SER 55 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1a22 h SER 55 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1a22 h SER 55 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 1a22 n GLU 56 N -3.79 0.15 0.00 4.77 1.02 -0.74 -1.21 120.64 120.84 1a22 n GLU 56 Ca -0.01 0.03 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1a22 n GLU 56 Cb 0.17 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.61 1a22 n GLU 56 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1a22 n SER 57 N -1.03 0.36 -4.55 1.62 3.41 -1.09 -4.60 113.62 107.75 1a22 n SER 57 Ca 0.04 -0.21 -0.41 0.00 -0.26 0.00 0.00 58.87 58.02 1a22 n SER 57 Cb 0.02 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 1a22 n SER 57 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1a22 s ILE 58 N -2.74 5.08 -0.59 -1.33 1.01 -0.35 -5.01 121.20 117.25 1a22 s ILE 58 Ca 0.20 0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.76 1a22 s ILE 58 Cb 0.19 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 1a22 s ILE 58 CO 0.55 -0.19 2.23 -2.16 0.00 0.00 0.00 174.94 175.36 1a22 s PRO 59 N 2.23 2.20 0.17 2.79 0.04 -1.26 -5.00 135.00 136.17 1a22 s PRO 59 Ca 0.15 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.22 1a22 s PRO 59 Cb -0.16 -4.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.75 1a22 s PRO 59 CO 0.13 -3.30 -0.06 0.95 0.04 0.00 0.00 177.00 174.76 1a22 s THR 60 N 11.56 3.40 0.69 1.26 -4.23 -1.26 -5.01 115.64 122.05 1a22 s THR 60 Ca 0.86 -1.52 -0.14 0.00 -1.18 0.00 0.00 61.69 59.72 1a22 s THR 60 Cb -0.14 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1a22 s THR 60 CO 0.20 -0.07 1.12 -2.16 -0.54 0.00 0.00 174.62 173.17 1a22 s PRO 61 N -2.77 2.56 0.00 3.99 0.04 -1.26 -4.98 135.00 132.58 1a22 s PRO 61 Ca 0.25 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1a22 s PRO 61 Cb -0.09 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1a22 s PRO 61 CO 0.16 -1.44 0.44 -1.13 0.04 0.00 0.00 177.00 175.07 1a22 n SER 62 N -2.67 0.90 -4.08 6.66 3.41 -1.26 -4.90 113.62 111.68 1a22 n SER 62 Ca 0.11 -0.95 -0.10 0.00 -0.26 0.00 0.00 58.87 57.66 1a22 n SER 62 Cb 0.52 0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.68 1a22 n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a22 s ASN 63 N -0.50 0.02 0.20 4.04 2.20 -1.26 -5.06 114.94 114.57 1a22 s ASN 63 Ca 0.02 -1.12 -0.10 0.00 -0.94 0.00 0.00 52.86 50.72 1a22 s ASN 63 Cb 0.02 0.49 0.26 0.00 -2.00 0.00 0.00 41.25 40.02 1a22 s ASN 63 CO 0.05 -1.01 1.75 -0.09 -2.94 0.00 0.00 177.10 174.86 1a22 h ARG 64 N 2.42 0.40 0.51 3.55 2.43 -1.99 -1.82 114.38 119.87 1a22 h ARG 64 Ca -0.30 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1a22 h ARG 64 Cb 1.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1a22 h ARG 64 CO 0.43 0.26 -0.36 0.93 -1.51 0.00 0.00 179.97 179.72 1a22 h GLU 65 N 0.41 -0.80 -0.81 0.20 5.08 -1.98 -1.72 114.58 114.95 1a22 h GLU 65 Ca 0.29 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.84 1a22 h GLU 65 Cb 0.35 0.18 -0.14 0.00 0.50 0.00 0.00 28.75 29.64 1a22 h GLU 65 CO -0.29 -0.54 -0.35 0.93 -1.00 0.00 0.00 179.01 177.77 1a22 h GLU 66 N -0.84 -0.06 0.08 2.33 5.08 -1.94 -2.11 114.58 117.13 1a22 h GLU 66 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1a22 h GLU 66 Cb 0.69 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1a22 h GLU 66 CO 0.04 -0.04 -0.09 1.15 -1.00 0.00 0.00 179.01 179.06 1a22 h THR 67 N -0.07 0.79 0.00 1.13 2.02 -1.17 -2.55 112.91 113.07 1a22 h THR 67 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1a22 h THR 67 Cb 0.58 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1a22 h THR 67 CO -0.85 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.04 1a22 n GLN 68 N -5.20 0.62 -0.00 6.66 6.02 -0.66 -1.85 117.38 122.96 1a22 n GLN 68 Ca -0.07 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.02 1a22 n GLN 68 Cb 0.13 -1.26 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 1a22 n GLN 68 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1a22 n GLN 69 N -0.76 0.17 -3.27 -1.09 6.02 -0.96 -4.93 117.38 112.57 1a22 n GLN 69 Ca 0.08 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.65 1a22 n GLN 69 Cb 0.03 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.73 1a22 n GLN 69 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1a22 s LYS 70 N -3.12 4.13 1.25 -1.09 -0.14 -0.77 -5.08 119.74 114.91 1a22 s LYS 70 Ca 0.04 0.67 -0.18 0.00 -1.36 0.00 0.00 55.97 55.14 1a22 s LYS 70 Cb 0.15 -3.06 0.30 0.00 -1.68 0.00 0.00 37.83 33.55 1a22 s LYS 70 CO 0.88 0.54 1.03 -1.54 -0.76 0.00 0.00 175.35 175.49 1a22 s SER 71 N -1.44 0.44 0.19 2.83 1.04 -1.26 -4.80 113.70 110.70 1a22 s SER 71 Ca 0.35 0.98 -0.02 0.00 0.48 0.00 0.00 55.95 57.73 1a22 s SER 71 Cb -0.17 -1.45 0.10 0.00 0.10 0.00 0.00 66.02 64.60 1a22 s SER 71 CO 0.19 -4.46 1.48 0.78 0.98 0.00 0.00 173.24 172.21 1a22 h ASN 72 N -2.80 0.54 -0.36 7.02 2.35 -1.97 -2.43 115.58 117.92 1a22 h ASN 72 Ca -0.50 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 54.87 1a22 h ASN 72 Cb 1.33 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 1a22 h ASN 72 CO 0.39 1.03 -0.03 -0.07 -1.65 0.00 0.00 177.43 177.11 1a22 h LEU 73 N 0.34 0.65 -0.43 1.61 -0.00 -1.92 -0.70 115.31 114.86 1a22 h LEU 73 Ca -0.01 -0.33 -0.03 0.00 -0.00 0.00 0.00 57.88 57.51 1a22 h LEU 73 Cb 1.19 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1a22 h LEU 73 CO 0.11 0.82 0.14 -0.33 -0.00 0.00 0.00 178.44 179.18 1a22 h GLU 74 N 0.46 0.67 -0.58 1.13 5.08 -1.91 0.86 114.58 120.30 1a22 h GLU 74 Ca 0.10 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1a22 h GLU 74 Cb 0.50 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1a22 h GLU 74 CO 0.02 0.65 0.24 -0.07 -1.00 0.00 0.00 179.01 178.86 1a22 h LEU 75 N 0.56 0.75 -0.25 1.33 4.07 -1.40 0.13 115.31 120.50 1a22 h LEU 75 Ca 0.14 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.89 1a22 h LEU 75 Cb 0.25 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 1a22 h LEU 75 CO -0.01 0.66 -0.35 -0.07 -1.08 0.00 0.00 178.44 177.60 1a22 h LEU 76 N 0.82 0.73 -0.39 1.67 4.07 -0.85 -2.18 115.31 119.18 1a22 h LEU 76 Ca 0.20 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 1a22 h LEU 76 Cb 0.14 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 1a22 h LEU 76 CO -0.02 1.10 0.20 -0.09 -1.08 0.00 0.00 178.44 178.55 1a22 h ARG 77 N 0.38 0.55 -0.33 1.13 9.65 -0.31 0.17 114.38 125.63 1a22 h ARG 77 Ca 0.03 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1a22 h ARG 77 Cb 0.93 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 1a22 h ARG 77 CO 0.08 0.47 0.17 0.82 2.80 0.00 0.00 179.97 184.31 1a22 h ILE 78 N 0.50 0.99 -0.84 1.20 2.04 -0.75 -0.96 117.51 119.69 1a22 h ILE 78 Ca 0.14 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1a22 h ILE 78 Cb 0.09 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1a22 h ILE 78 CO -0.02 0.06 0.44 0.28 0.00 0.00 0.00 178.15 178.91 1a22 h SER 79 N 0.35 1.07 0.39 1.72 0.02 -1.08 -1.30 113.55 114.71 1a22 h SER 79 Ca 0.14 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1a22 h SER 79 Cb 0.04 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1a22 h SER 79 CO -0.09 0.88 -0.22 0.25 -1.14 0.00 0.00 176.83 176.51 1a22 h LEU 80 N 1.18 -0.54 -0.87 5.07 5.85 -0.14 -1.69 115.31 124.17 1a22 h LEU 80 Ca 0.29 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.16 1a22 h LEU 80 Cb 0.06 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 1a22 h LEU 80 CO -0.04 -0.36 0.50 -0.07 -0.34 0.00 0.00 178.44 178.12 1a22 h LEU 81 N -0.57 0.69 -0.58 2.25 4.07 -0.87 -0.26 115.31 120.05 1a22 h LEU 81 Ca -0.05 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1a22 h LEU 81 Cb 0.46 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 1a22 h LEU 81 CO 0.06 0.36 0.11 -0.07 -1.08 0.00 0.00 178.44 177.82 1a22 h LEU 82 N 0.79 0.91 -0.65 1.67 3.38 -1.07 -1.72 115.31 118.61 1a22 h LEU 82 Ca 0.44 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1a22 h LEU 82 Cb 0.47 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1a22 h LEU 82 CO -0.28 0.93 0.16 0.40 0.09 0.00 0.00 178.44 179.73 1a22 h ILE 83 N 0.85 1.26 -0.20 1.22 1.08 -0.36 -2.84 117.51 118.52 1a22 h ILE 83 Ca 0.18 -0.95 -0.10 0.00 -0.39 0.00 0.00 64.86 63.60 1a22 h ILE 83 Cb 0.40 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1a22 h ILE 83 CO 0.01 0.36 -0.29 1.56 -0.69 0.00 0.00 178.15 179.10 1a22 h GLN 84 N 0.97 0.39 0.00 2.37 4.20 -0.98 -2.75 115.11 119.31 1a22 h GLN 84 Ca 0.20 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1a22 h GLN 84 Cb 0.37 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1a22 h GLN 84 CO 0.00 0.65 0.00 0.77 -0.67 0.00 0.00 178.83 179.58 1a22 h SER 85 N 0.34 0.00 -0.01 1.46 0.02 -1.06 -2.97 113.55 111.33 1a22 h SER 85 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1a22 h SER 85 Cb 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1a22 h SER 85 CO 0.05 0.00 -0.37 0.79 -1.14 0.00 0.00 176.83 176.16 1a22 n TRP 86 N -2.83 0.00 -0.31 3.45 7.02 -1.04 -4.55 117.44 119.18 1a22 n TRP 86 Ca -0.01 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.44 1a22 n TRP 86 Cb 0.14 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.13 1a22 n TRP 86 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1a22 h LEU 87 N 1.87 0.93 0.00 -0.99 4.07 -1.52 -2.80 115.31 116.88 1a22 h LEU 87 Ca 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.91 1a22 h LEU 87 Cb 0.58 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1a22 h LEU 87 CO 0.00 0.66 -0.35 -0.08 -1.08 0.00 0.00 178.44 177.59 1a22 h GLU 88 N 1.10 0.00 -0.01 1.13 4.81 -1.81 -3.39 114.58 116.41 1a22 h GLU 88 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1a22 h GLU 88 Cb -0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1a22 h GLU 88 CO -0.09 0.30 0.31 -1.35 -0.73 0.00 0.00 179.01 177.45 1a22 h PRO 89 N -1.00 0.00 0.00 0.92 0.11 -1.80 -0.92 132.00 129.31 1a22 h PRO 89 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1a22 h PRO 89 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1a22 h PRO 89 CO -0.03 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 177.37 1a22 h VAL 90 N 0.00 0.00 0.00 3.15 -1.51 -1.68 -1.31 116.25 114.90 1a22 h VAL 90 Ca 0.01 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1a22 h VAL 90 Cb 0.62 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1a22 h VAL 90 CO -0.00 0.00 0.00 1.56 -1.23 0.00 0.00 177.57 177.90 1a22 h GLN 91 N 0.00 0.00 0.03 5.19 7.50 -1.40 -3.10 115.11 123.33 1a22 h GLN 91 Ca 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 58.93 1a22 h GLN 91 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 1a22 h GLN 91 CO 0.00 0.00 -0.99 0.74 -1.50 0.00 0.00 178.83 177.08 1a22 h PHE 92 N 0.00 0.22 -0.18 2.96 0.04 -1.41 -3.26 116.94 115.30 1a22 h PHE 92 Ca 0.00 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1a22 h PHE 92 Cb 0.53 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1a22 h PHE 92 CO 0.00 1.04 0.00 1.28 -0.60 0.00 0.00 178.31 180.03 1a22 n LEU 93 N -3.52 1.23 -0.38 1.54 4.77 -1.17 -4.39 117.00 115.08 1a22 n LEU 93 Ca -0.03 -0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 55.22 1a22 n LEU 93 Cb 0.90 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 1a22 n LEU 93 CO 0.49 0.27 0.48 -0.09 -1.33 0.00 0.00 177.39 177.21 1a22 h ARG 94 N 1.09 -0.04 -0.11 3.23 2.43 -1.68 0.45 114.38 119.75 1a22 h ARG 94 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1a22 h ARG 94 Cb 0.37 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 1a22 h ARG 94 CO 0.02 -0.02 0.00 0.66 -1.51 0.00 0.00 179.97 179.12 1a22 h SER 95 N -0.04 -0.03 -0.72 -3.80 4.64 -1.89 0.36 113.55 112.08 1a22 h SER 95 Ca 0.15 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1a22 h SER 95 Cb 0.41 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 1a22 h SER 95 CO -0.88 0.00 0.42 0.58 -0.87 0.00 0.00 176.83 176.09 1a22 h VAL 96 N 0.04 1.02 -0.10 0.95 2.07 -1.50 0.25 116.25 118.97 1a22 h VAL 96 Ca 0.05 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1a22 h VAL 96 Cb 0.05 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1a22 h VAL 96 CO -0.08 0.14 -0.41 -0.26 0.02 0.00 0.00 177.57 176.98 1a22 h PHE 97 N 0.79 0.27 0.53 1.57 0.04 0.16 -2.00 116.94 118.30 1a22 h PHE 97 Ca 0.31 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 1a22 h PHE 97 Cb 0.14 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.23 1a22 h PHE 97 CO -0.06 0.61 -0.25 0.00 -0.60 0.00 0.00 178.31 178.01 1a22 h ALA 98 N 1.38 -1.06 0.00 2.45 0.00 0.24 -3.07 119.26 119.21 1a22 h ALA 98 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1a22 h ALA 98 Cb 0.82 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1a22 h ALA 98 CO 0.06 -1.00 0.00 0.27 0.00 0.00 0.00 179.25 178.58 1a22 n ASN 99 N -4.14 0.00 -4.81 0.00 0.23 0.60 -4.81 115.26 102.33 1a22 n ASN 99 Ca -0.09 -0.42 -0.32 0.00 -0.53 0.00 0.00 54.58 53.22 1a22 n ASN 99 Cb 0.28 -0.08 0.02 0.00 -2.08 0.00 0.00 39.78 37.91 1a22 n ASN 99 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1a22 s SER 100 N -2.17 5.76 -1.51 0.53 0.15 -0.75 -4.87 113.70 110.83 1a22 s SER 100 Ca 0.25 1.74 -0.12 0.00 0.70 0.00 0.00 55.95 58.53 1a22 s SER 100 Cb 0.13 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1a22 s SER 100 CO 0.24 -1.19 2.52 0.18 1.20 0.00 0.00 173.24 176.20 1a22 n LEU 101 N -2.28 7.71 0.00 3.45 4.77 -1.26 -4.87 117.00 124.52 1a22 n LEU 101 Ca 0.08 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.76 1a22 n LEU 101 Cb 0.53 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1a22 n LEU 101 CO 0.49 1.57 0.00 1.33 -1.33 0.00 0.00 177.39 179.46 1a22 n VAL 102 N 4.21 0.00 -2.77 4.08 0.24 -1.26 -4.83 118.33 118.00 1a22 n VAL 102 Ca 0.63 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.73 1a22 n VAL 102 Cb 0.32 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.69 1a22 n VAL 102 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1a22 n TYR 103 N -0.15 -1.54 0.00 6.34 -0.00 -1.26 -1.15 117.16 119.40 1a22 n TYR 103 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.90 58.16 1a22 n TYR 103 Cb 0.00 -3.81 0.00 0.00 -0.00 0.00 0.00 39.34 35.53 1a22 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1a22 n GLY 104 N -1.19 1.05 3.66 -7.48 0.00 -1.26 -5.08 105.19 94.90 1a22 n GLY 104 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1a22 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a22 s ALA 105 N -2.01 3.64 -0.24 4.61 0.00 -0.30 -4.63 121.76 122.82 1a22 s ALA 105 Ca 0.00 0.51 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 1a22 s ALA 105 Cb 0.00 -3.61 0.14 0.00 0.00 0.00 0.00 23.12 19.65 1a22 s ALA 105 CO 0.00 -1.13 1.12 -1.54 0.00 0.00 0.00 175.76 174.22 1a22 s SER 106 N 1.98 -0.30 0.53 0.00 1.04 -1.26 -4.65 113.70 111.02 1a22 s SER 106 Ca 0.56 0.46 0.19 0.00 0.48 0.00 0.00 55.95 57.64 1a22 s SER 106 Cb -0.23 0.42 1.32 0.00 0.10 0.00 0.00 66.02 67.64 1a22 s SER 106 CO 0.16 -0.19 2.12 -2.24 0.98 0.00 0.00 173.24 174.07 1a22 h ASP 107 N 3.10 0.00 -0.03 7.02 2.03 -1.83 -2.09 116.42 124.63 1a22 h ASP 107 Ca -0.21 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.04 1a22 h ASP 107 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1a22 h ASP 107 CO 0.21 0.00 -0.16 0.28 -1.03 0.00 0.00 179.24 178.54 1a22 h SER 108 N 0.00 0.19 0.30 4.15 0.02 -1.96 -0.86 113.55 115.39 1a22 h SER 108 Ca 0.06 -0.68 -0.01 0.00 -0.84 0.00 0.00 61.79 60.31 1a22 h SER 108 Cb 0.24 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1a22 h SER 108 CO -0.00 0.84 -0.14 -1.13 -1.14 0.00 0.00 176.83 175.26 1a22 h ASN 109 N -0.45 -0.34 -0.89 3.07 -1.24 -1.83 0.26 115.58 114.15 1a22 h ASN 109 Ca -0.01 -0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.09 1a22 h ASN 109 Cb 0.85 0.09 -0.07 0.00 0.73 0.00 0.00 38.32 39.92 1a22 h ASN 109 CO 0.03 -0.21 0.57 0.58 -1.29 0.00 0.00 177.43 177.11 1a22 h VAL 110 N -0.43 0.95 -0.11 2.57 2.07 -1.47 -1.26 116.25 118.56 1a22 h VAL 110 Ca -0.04 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.00 1a22 h VAL 110 Cb 0.33 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1a22 h VAL 110 CO 0.07 0.16 -0.70 0.22 0.02 0.00 0.00 177.57 177.33 1a22 h TYR 111 N 0.85 0.66 -0.13 1.57 5.03 -0.71 -2.28 116.97 121.96 1a22 h TYR 111 Ca 0.42 -0.28 -0.11 0.00 2.58 0.00 0.00 58.73 61.34 1a22 h TYR 111 Cb 0.45 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1a22 h TYR 111 CO -0.00 1.04 -0.41 -0.44 -1.32 0.00 0.00 178.16 177.03 1a22 h ASP 112 N 0.35 0.32 -0.44 -2.11 3.32 -0.07 -1.56 116.42 116.22 1a22 h ASP 112 Ca -0.03 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.79 1a22 h ASP 112 Cb 1.27 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1a22 h ASP 112 CO 0.13 0.70 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.19 1a22 h LEU 113 N 0.25 0.88 -0.22 1.55 3.38 -1.11 0.22 115.31 120.27 1a22 h LEU 113 Ca 0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1a22 h LEU 113 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1a22 h LEU 113 CO 0.07 1.00 -0.02 -0.07 0.09 0.00 0.00 178.44 179.51 1a22 h LEU 114 N 0.81 0.39 -1.30 1.67 3.38 -1.11 0.34 115.31 119.48 1a22 h LEU 114 Ca 0.13 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1a22 h LEU 114 Cb 0.61 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1a22 h LEU 114 CO 0.04 0.63 0.48 0.11 0.09 0.00 0.00 178.44 179.79 1a22 h LYS 115 N 0.15 0.91 0.59 1.13 1.79 -1.04 0.10 116.57 120.20 1a22 h LYS 115 Ca 0.06 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1a22 h LYS 115 Cb 0.44 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 30.89 1a22 h LYS 115 CO 0.01 0.60 -0.28 0.22 -1.08 0.00 0.00 179.45 178.92 1a22 h ASP 116 N 0.93 -0.67 -0.38 0.86 1.82 -0.56 -2.86 116.42 115.56 1a22 h ASP 116 Ca 0.28 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 1a22 h ASP 116 Cb -0.03 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 1a22 h ASP 116 CO -0.07 -0.30 0.21 0.25 -1.61 0.00 0.00 179.24 177.73 1a22 h LEU 117 N -1.11 0.49 -0.12 2.28 6.46 -0.77 -2.00 115.31 120.53 1a22 h LEU 117 Ca -0.08 -0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1a22 h LEU 117 Cb 0.66 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 1a22 h LEU 117 CO 0.13 0.41 -0.11 -0.08 -0.62 0.00 0.00 178.44 178.17 1a22 h GLU 118 N 0.56 -0.13 -0.58 1.25 4.81 -0.94 -0.65 114.58 118.91 1a22 h GLU 118 Ca 0.15 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1a22 h GLU 118 Cb 0.03 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1a22 h GLU 118 CO -0.02 -0.08 0.18 0.93 -0.73 0.00 0.00 179.01 179.28 1a22 h GLU 119 N -0.13 0.90 -0.25 1.92 5.08 -1.27 -2.56 114.58 118.27 1a22 h GLU 119 Ca 0.08 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1a22 h GLU 119 Cb 0.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1a22 h GLU 119 CO -0.20 0.81 0.15 0.00 -1.00 0.00 0.00 179.01 178.78 1a22 h ARG 120 N 0.82 0.34 0.07 2.33 3.08 -0.61 -1.68 114.38 118.73 1a22 h ARG 120 Ca 0.19 -0.02 -0.25 0.00 0.07 0.00 0.00 59.98 59.97 1a22 h ARG 120 Cb 0.29 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1a22 h ARG 120 CO -0.01 0.24 -1.09 0.82 -1.07 0.00 0.00 179.97 178.87 1a22 h ILE 121 N 0.35 1.48 -0.68 2.04 2.04 -1.01 -1.92 117.51 119.81 1a22 h ILE 121 Ca 0.09 -2.85 -0.04 0.00 1.00 0.00 0.00 64.86 63.06 1a22 h ILE 121 Cb -0.01 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 1a22 h ILE 121 CO -0.02 0.83 0.25 1.56 0.00 0.00 0.00 178.15 180.78 1a22 h GLN 122 N 0.12 1.01 -0.29 2.37 4.20 -0.95 -0.83 115.11 120.74 1a22 h GLN 122 Ca -0.10 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 1a22 h GLN 122 Cb 1.78 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 1a22 h GLN 122 CO 0.18 0.84 -0.01 1.15 -0.67 0.00 0.00 178.83 180.32 1a22 h THR 123 N 0.99 1.26 -0.23 -0.54 2.02 -1.23 -2.78 112.91 112.40 1a22 h THR 123 Ca 0.23 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.46 1a22 h THR 123 Cb 0.22 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1a22 h THR 123 CO -0.02 0.31 0.15 -0.07 0.37 0.00 0.00 175.52 176.26 1a22 h LEU 124 N 0.30 0.23 -0.30 2.58 4.07 -0.89 -1.88 115.31 119.42 1a22 h LEU 124 Ca 0.08 -0.01 -0.19 0.00 0.08 0.00 0.00 57.88 57.84 1a22 h LEU 124 Cb 0.45 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.13 1a22 h LEU 124 CO 0.02 0.17 -0.59 0.24 -1.08 0.00 0.00 178.44 177.20 1a22 h MET 125 N 0.27 0.84 -0.11 1.13 2.86 -0.94 -2.04 114.93 116.94 1a22 h MET 125 Ca 0.09 -0.55 -0.07 0.00 -2.06 0.00 0.00 59.70 57.11 1a22 h MET 125 Cb 0.03 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1a22 h MET 125 CO -0.02 1.18 -0.24 0.78 1.06 0.00 0.00 176.91 179.67 1a22 h GLY 126 N 0.71 0.20 2.00 8.32 0.00 -1.18 -1.05 103.07 112.07 1a22 h GLY 126 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.04 1a22 h GLY 126 CO 0.13 0.13 -0.69 3.21 0.00 0.00 0.00 176.54 179.32 1a22 h ARG 127 N 0.17 0.00 -0.56 4.80 2.47 -1.22 -3.29 114.38 116.75 1a22 h ARG 127 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1a22 h ARG 127 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1a22 h ARG 127 CO 0.04 0.69 0.00 1.28 0.56 0.00 0.00 179.97 182.54 1a22 n LEU 128 N -3.60 3.52 -4.58 3.04 4.77 -0.78 -5.10 117.00 114.27 1a22 n LEU 128 Ca -0.00 -1.96 -0.49 0.00 -0.03 0.00 0.00 56.01 53.53 1a22 n LEU 128 Cb 0.71 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1a22 n LEU 128 CO 0.43 0.87 0.72 1.21 -1.33 0.00 0.00 177.39 179.29 1a22 n GLU 129 N 1.20 1.16 0.00 3.23 4.07 -0.43 -4.85 120.64 125.02 1a22 n GLU 129 Ca 0.19 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 1a22 n GLU 129 Cb 0.54 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 1a22 n GLU 129 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a22 n GLY 136 N 2.03 2.70 0.34 8.31 0.00 -1.26 -5.10 105.19 112.21 1a22 n GLY 136 Ca 0.15 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1a22 n GLY 136 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a22 h GLN 137 N 0.00 -0.42 -0.95 1.61 4.15 -2.01 -1.59 115.11 115.91 1a22 h GLN 137 Ca 0.00 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.64 1a22 h GLN 137 Cb 0.00 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 27.67 1a22 h GLN 137 CO 0.00 -0.28 0.53 0.97 -1.93 0.00 0.00 178.83 178.12 1a22 h ILE 138 N -0.43 0.64 0.00 2.39 6.09 -1.95 0.59 117.51 124.84 1a22 h ILE 138 Ca 0.08 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1a22 h ILE 138 Cb 0.55 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 37.79 1a22 h ILE 138 CO -0.31 0.12 0.00 -0.26 -3.07 0.00 0.00 178.15 174.62 1a22 h PHE 139 N 0.63 0.00 0.00 2.19 0.04 -1.80 -3.12 116.94 114.88 1a22 h PHE 139 Ca 0.56 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.33 1a22 h PHE 139 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1a22 h PHE 139 CO -0.05 0.00 -1.70 1.63 -0.60 0.00 0.00 178.31 177.59 1a22 n LYS 140 N -2.70 0.53 -3.00 1.51 4.76 0.42 -4.94 118.16 114.75 1a22 n LYS 140 Ca 0.04 -0.14 -0.39 0.00 -2.87 0.00 0.00 58.31 54.94 1a22 n LYS 140 Cb 0.43 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.07 1a22 n LYS 140 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1a22 s GLN 141 N -3.33 4.53 0.40 1.97 0.74 0.18 -5.08 119.66 119.08 1a22 s GLN 141 Ca -0.04 1.11 0.03 0.00 0.05 0.00 0.00 55.36 56.52 1a22 s GLN 141 Cb 0.14 -3.29 0.07 0.00 1.10 0.00 0.00 33.01 31.04 1a22 s GLN 141 CO 0.87 0.50 0.55 0.25 -0.55 0.00 0.00 175.29 176.91 1a22 n THR 142 N 1.91 0.00 -1.53 -0.34 -2.24 -1.26 -4.92 114.28 105.89 1a22 n THR 142 Ca -0.05 -1.10 -0.30 0.00 -2.27 0.00 0.00 64.05 60.33 1a22 n THR 142 Cb 0.49 -0.87 0.09 0.00 -2.10 0.00 0.00 70.33 67.94 1a22 n THR 142 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1a22 s TYR 143 N -1.50 2.81 -0.18 4.78 1.13 -1.26 -5.00 117.35 118.12 1a22 s TYR 143 Ca 0.39 1.17 -0.25 0.00 -1.41 0.00 0.00 57.07 56.97 1a22 s TYR 143 Cb -0.03 -3.12 -0.01 0.00 -1.10 0.00 0.00 41.96 37.70 1a22 s TYR 143 CO 0.25 -1.79 0.82 -1.12 -2.51 0.00 0.00 175.55 171.20 1a22 s SER 144 N -3.87 6.93 0.14 -0.18 0.01 -1.26 -4.98 113.70 110.50 1a22 s SER 144 Ca 0.61 1.15 -0.27 0.00 1.31 0.00 0.00 55.95 58.75 1a22 s SER 144 Cb -0.15 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 1a22 s SER 144 CO 0.54 -0.40 0.83 -0.54 0.41 0.00 0.00 173.24 174.08 1a22 s LYS 145 N 2.19 4.62 -0.47 12.44 -0.14 -1.26 -4.70 119.74 132.43 1a22 s LYS 145 Ca 0.38 1.23 -0.26 0.00 -1.36 0.00 0.00 55.97 55.96 1a22 s LYS 145 Cb -0.16 -3.30 0.03 0.00 -1.68 0.00 0.00 37.83 32.71 1a22 s LYS 145 CO 0.12 0.45 0.97 0.12 -0.76 0.00 0.00 175.35 176.24 1a22 s PHE 146 N -0.74 2.90 -0.76 3.18 5.36 -1.26 -4.94 117.98 121.72 1a22 s PHE 146 Ca 0.39 0.45 -0.26 0.00 -0.96 0.00 0.00 56.93 56.55 1a22 s PHE 146 Cb -0.23 -4.07 0.02 0.00 -0.34 0.00 0.00 43.02 38.40 1a22 s PHE 146 CO 0.27 -1.14 1.46 0.16 -1.46 0.00 0.00 175.22 174.51 1a22 s ASP 147 N 2.31 5.97 0.00 6.13 -4.77 -1.26 -5.08 116.67 119.97 1a22 s ASP 147 Ca 0.39 -0.44 0.00 0.00 -3.30 0.00 0.00 52.55 49.21 1a22 s ASP 147 Cb -0.09 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 1a22 s ASP 147 CO 0.28 -1.95 0.00 0.35 0.70 0.00 0.00 175.17 174.55 1a22 n THR 148 N 6.69 0.00 -0.35 2.11 -2.24 -1.26 -5.14 114.28 114.09 1a22 n THR 148 Ca 0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 1a22 n THR 148 Cb 0.50 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.01 1a22 n THR 148 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1a22 s ASP 154 N -3.93 -0.78 0.21 3.42 -4.77 -1.26 -5.22 116.67 104.35 1a22 s ASP 154 Ca 0.00 1.05 -0.16 0.00 -3.30 0.00 0.00 52.55 50.13 1a22 s ASP 154 Cb 0.00 -1.54 0.22 0.00 -1.09 0.00 0.00 42.92 40.51 1a22 s ASP 154 CO 0.00 -5.22 1.59 0.00 0.70 0.00 0.00 175.17 172.25 1a22 h ALA 155 N -3.32 0.23 -0.87 2.11 0.00 -2.05 0.16 119.26 115.52 1a22 h ALA 155 Ca -0.49 0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1a22 h ALA 155 Cb 1.34 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 1a22 h ALA 155 CO 0.34 -0.54 0.57 1.25 0.00 0.00 0.00 179.25 180.86 1a22 h LEU 156 N -0.07 0.88 0.00 0.00 5.85 -2.03 0.63 115.31 120.56 1a22 h LEU 156 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1a22 h LEU 156 Cb 0.55 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1a22 h LEU 156 CO -0.73 0.57 -0.10 0.18 -0.34 0.00 0.00 178.44 178.02 1a22 n LEU 157 N -4.48 0.14 0.04 2.25 4.77 0.31 -1.85 117.00 118.18 1a22 n LEU 157 Ca 0.13 0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 1a22 n LEU 157 Cb 0.19 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.69 1a22 n LEU 157 CO 0.33 0.01 -0.66 0.50 -1.33 0.00 0.00 177.39 176.24 1a22 h LYS 158 N 0.00 0.32 0.19 3.23 3.64 0.12 -3.27 116.57 120.80 1a22 h LYS 158 Ca 0.00 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1a22 h LYS 158 Cb 0.52 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1a22 h LYS 158 CO 0.00 1.24 -0.09 -0.91 -2.27 0.00 0.00 179.45 177.42 1a22 h ASN 159 N 0.09 -0.22 -0.41 4.20 -0.26 -1.06 -0.99 115.58 116.92 1a22 h ASN 159 Ca -0.38 -0.31 0.12 0.00 -0.56 0.00 0.00 56.30 55.17 1a22 h ASN 159 Cb 2.06 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 39.36 1a22 h ASN 159 CO 0.13 0.29 0.35 0.22 -1.06 0.00 0.00 177.43 177.36 1a22 h TYR 160 N -0.84 0.00 -0.01 1.19 3.20 -1.58 0.16 116.97 119.09 1a22 h TYR 160 Ca -0.03 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1a22 h TYR 160 Cb 0.52 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.80 1a22 h TYR 160 CO 0.07 0.00 -0.45 0.78 -1.64 0.00 0.00 178.16 176.92 1a22 h GLY 161 N 0.00 0.35 0.68 1.82 0.00 -1.58 -1.41 103.07 102.93 1a22 h GLY 161 Ca 0.20 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.95 1a22 h GLY 161 CO -0.00 0.54 -0.05 1.41 0.00 0.00 0.00 176.54 178.43 1a22 h LEU 162 N -0.25 -0.18 -0.38 3.11 3.38 0.43 -1.04 115.31 120.38 1a22 h LEU 162 Ca -0.05 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1a22 h LEU 162 Cb 1.17 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1a22 h LEU 162 CO 0.09 -0.07 0.21 -0.07 0.09 0.00 0.00 178.44 178.69 1a22 h LEU 163 N -0.03 0.32 -1.20 1.67 3.38 -0.88 0.63 115.31 119.21 1a22 h LEU 163 Ca 0.07 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1a22 h LEU 163 Cb 0.14 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1a22 h LEU 163 CO -0.16 0.24 0.54 0.22 0.09 0.00 0.00 178.44 179.37 1a22 h TYR 164 N 0.43 1.01 0.00 1.13 3.20 -0.78 -1.45 116.97 120.51 1a22 h TYR 164 Ca 0.16 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.85 1a22 h TYR 164 Cb 0.04 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 1a22 h TYR 164 CO -0.09 0.62 -0.96 0.00 -1.64 0.00 0.00 178.16 176.09 1a22 h PHE 166 N 0.01 1.12 -0.28 0.00 3.57 -0.12 -2.27 116.94 118.96 1a22 h PHE 166 Ca -0.01 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.23 1a22 h PHE 166 Cb 1.69 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1a22 h PHE 166 CO 0.00 1.00 -0.07 -0.09 -2.23 0.00 0.00 178.31 176.92 1a22 h ARG 167 N 0.92 0.54 0.01 1.11 2.43 -1.35 -2.06 114.38 115.97 1a22 h ARG 167 Ca 0.16 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1a22 h ARG 167 Cb 0.55 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1a22 h ARG 167 CO 0.03 0.75 -0.00 -0.22 -1.51 0.00 0.00 179.97 179.01 1a22 h LYS 168 N 0.30 -0.01 -0.35 0.20 3.64 -1.51 -1.22 116.57 117.63 1a22 h LYS 168 Ca 0.07 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1a22 h LYS 168 Cb 0.55 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1a22 h LYS 168 CO 0.03 0.05 -0.13 -0.44 -2.27 0.00 0.00 179.45 176.69 1a22 h ASP 169 N -0.06 0.60 0.47 4.20 3.32 -1.44 -0.03 116.42 123.48 1a22 h ASP 169 Ca -0.00 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 1a22 h ASP 169 Cb 0.06 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1a22 h ASP 169 CO 0.00 0.75 -0.44 0.24 -1.72 0.00 0.00 179.24 178.08 1a22 h MET 170 N 0.56 0.00 -0.12 3.56 2.86 -1.27 -0.85 114.93 119.67 1a22 h MET 170 Ca 0.10 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.57 1a22 h MET 170 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1a22 h MET 170 CO 0.03 0.44 -0.63 0.22 1.06 0.00 0.00 176.91 178.03 1a22 h ASP 171 N 0.00 0.49 -0.12 1.22 1.82 0.06 -2.00 116.42 117.89 1a22 h ASP 171 Ca -0.00 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.33 1a22 h ASP 171 Cb 0.79 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 1a22 h ASP 171 CO 0.06 1.00 0.01 0.11 -1.61 0.00 0.00 179.24 178.80 1a22 h LYS 172 N 0.32 0.21 0.12 0.28 1.57 -0.54 -1.78 116.57 116.74 1a22 h LYS 172 Ca -0.01 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1a22 h LYS 172 Cb 1.18 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1a22 h LYS 172 CO 0.11 0.44 -0.06 0.28 -0.57 0.00 0.00 179.45 179.65 1a22 h VAL 173 N -0.04 0.90 -0.59 0.50 2.07 -1.12 0.31 116.25 118.28 1a22 h VAL 173 Ca 0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1a22 h VAL 173 Cb 0.34 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1a22 h VAL 173 CO 0.00 0.02 0.38 -0.08 0.02 0.00 0.00 177.57 177.92 1a22 h GLU 174 N -0.20 0.78 0.25 1.57 4.81 -1.40 -1.29 114.58 119.10 1a22 h GLU 174 Ca -0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1a22 h GLU 174 Cb 0.15 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1a22 h GLU 174 CO 0.03 0.52 -0.12 1.15 -0.73 0.00 0.00 179.01 179.86 1a22 h THR 175 N 0.80 0.76 -0.77 0.32 2.02 -0.95 -1.82 112.91 113.27 1a22 h THR 175 Ca 0.21 -0.79 0.04 0.00 0.77 0.00 0.00 66.41 66.65 1a22 h THR 175 Cb -0.08 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 1a22 h THR 175 CO -0.05 0.15 0.48 -0.26 0.37 0.00 0.00 175.52 176.22 1a22 h PHE 176 N -0.78 0.90 -0.54 3.16 0.04 -0.82 -1.92 116.94 116.97 1a22 h PHE 176 Ca -0.03 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1a22 h PHE 176 Cb 0.51 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1a22 h PHE 176 CO 0.05 0.49 -0.10 -0.07 -0.60 0.00 0.00 178.31 178.07 1a22 h LEU 177 N 0.92 1.02 -0.80 1.54 3.38 -1.30 -1.97 115.31 118.09 1a22 h LEU 177 Ca 0.32 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1a22 h LEU 177 Cb 0.07 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1a22 h LEU 177 CO -0.14 1.13 0.50 -0.09 0.09 0.00 0.00 178.44 179.93 1a22 h ARG 178 N 0.89 0.90 -0.12 1.13 9.65 -0.93 -0.69 114.38 125.21 1a22 h ARG 178 Ca 0.14 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1a22 h ARG 178 Cb 0.67 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 29.04 1a22 h ARG 178 CO 0.05 0.59 0.03 0.82 2.80 0.00 0.00 179.97 184.26 1a22 h ILE 179 N 0.92 1.21 -0.56 1.20 2.04 -1.06 -1.20 117.51 120.05 1a22 h ILE 179 Ca 0.34 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1a22 h ILE 179 Cb 0.13 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1a22 h ILE 179 CO -0.16 0.19 0.33 0.58 0.00 0.00 0.00 178.15 179.09 1a22 h VAL 180 N -0.01 1.16 -0.42 1.67 2.07 -1.12 -2.80 116.25 116.79 1a22 h VAL 180 Ca 0.04 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1a22 h VAL 180 Cb 0.27 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1a22 h VAL 180 CO 0.00 0.17 0.09 -0.61 0.02 0.00 0.00 177.57 177.25 1a22 h GLN 181 N 0.77 0.69 0.00 1.57 4.15 -0.72 -0.10 115.11 121.47 1a22 h GLN 181 Ca 0.20 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 1a22 h GLN 181 Cb -0.01 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1a22 h GLN 181 CO -0.04 0.70 -0.27 0.00 -1.93 0.00 0.00 178.83 177.29 1a22 h ARG 183 N 0.00 0.43 -0.01 0.00 3.08 -1.23 -3.36 114.38 113.29 1a22 h ARG 183 Ca -0.00 -0.65 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1a22 h ARG 183 Cb 0.50 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1a22 h ARG 183 CO 0.04 1.29 -0.18 0.43 -1.07 0.00 0.00 179.97 180.48 1a22 n SER 184 N -3.66 1.19 -3.73 7.04 7.64 -0.08 -4.85 113.62 117.17 1a22 n SER 184 Ca -0.11 -1.09 -0.22 0.00 1.01 0.00 0.00 58.87 58.46 1a22 n SER 184 Cb 1.01 0.09 -0.18 0.00 -1.01 0.00 0.00 64.21 64.12 1a22 n SER 184 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1a22 s VAL 185 N -2.34 0.18 -0.54 0.44 1.01 -0.65 -4.76 120.40 113.73 1a22 s VAL 185 Ca 0.29 0.24 -0.36 0.00 0.00 0.00 0.00 61.98 62.14 1a22 s VAL 185 Cb 0.20 -0.37 -0.17 0.00 0.00 0.00 0.00 36.38 36.03 1a22 s VAL 185 CO 0.46 0.22 2.01 1.21 0.00 0.00 0.00 175.10 179.01 1a22 n GLU 186 N 5.16 0.00 -4.33 2.72 4.07 -1.26 -1.39 120.64 125.61 1a22 n GLU 186 Ca -0.06 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.65 1a22 n GLU 186 Cb 0.50 -1.33 -0.05 0.00 -0.06 0.00 0.00 31.44 30.50 1a22 n GLU 186 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a22 n GLY 187 N 6.46 -0.43 0.00 8.31 0.00 -1.26 -4.79 105.19 113.48 1a22 n GLY 187 Ca 0.51 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.77 1a22 n GLY 187 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a22 n SER 188 N -2.54 0.00 0.00 1.61 3.41 -0.49 -3.45 113.62 112.17 1a22 n SER 188 Ca 0.10 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a22 n SER 188 Cb 0.47 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1a22 n SER 188 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a22 s GLY 190 N -1.95 1.94 0.00 0.00 0.00 -1.22 -5.18 107.32 100.91 1a22 s GLY 190 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1a22 s GLY 190 CO 0.00 -1.54 0.00 1.97 0.00 0.00 0.00 173.10 173.53