#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s80 h LEU 1 N 0.00 -0.73 -0.57 2.46 7.12 -2.01 0.25 115.31 121.84 1s80 h LEU 1 Ca 0.00 0.15 -0.12 0.00 0.13 0.00 0.00 57.88 58.04 1s80 h LEU 1 Cb 0.00 0.37 -0.02 0.00 -0.53 0.00 0.00 40.66 40.48 1s80 h LEU 1 CO 0.00 -0.25 -0.12 0.74 -0.13 0.00 0.00 178.44 178.68 1s80 h THR 2 N -0.19 1.27 -0.33 1.05 2.02 -1.95 -1.62 112.91 113.16 1s80 h THR 2 Ca 0.16 -1.28 -0.14 0.00 0.77 0.00 0.00 66.41 65.93 1s80 h THR 2 Cb 0.44 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1s80 h THR 2 CO -0.43 0.45 -0.34 0.25 0.37 0.00 0.00 175.52 175.82 1s80 h LEU 3 N 0.91 0.87 0.35 2.58 5.85 -1.96 -2.32 115.31 121.58 1s80 h LEU 3 Ca 0.14 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1s80 h LEU 3 Cb 0.69 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1s80 h LEU 3 CO 0.05 1.17 -0.24 0.44 -0.34 0.00 0.00 178.44 179.51 1s80 h ASP 4 N 0.59 -0.62 -0.31 1.25 5.19 -0.28 -0.71 116.42 121.53 1s80 h ASP 4 Ca 0.05 0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1s80 h ASP 4 Cb 0.92 0.19 -0.06 0.00 0.18 0.00 0.00 39.33 40.57 1s80 h ASP 4 CO 0.08 -0.38 -0.06 0.58 -3.12 0.00 0.00 179.24 176.35 1s80 h VAL 5 N -0.58 0.71 -0.64 -1.35 2.07 -1.36 -0.12 116.25 114.98 1s80 h VAL 5 Ca -0.03 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1s80 h VAL 5 Cb 0.49 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1s80 h VAL 5 CO 0.02 0.00 0.33 -0.25 0.02 0.00 0.00 177.57 177.69 1s80 h TRP 6 N 0.02 0.60 -0.34 1.57 -0.00 -1.28 -1.12 115.95 115.39 1s80 h TRP 6 Ca 0.15 0.03 -0.14 0.00 -0.00 0.00 0.00 58.89 58.93 1s80 h TRP 6 Cb 0.22 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 1s80 h TRP 6 CO -0.28 0.26 -0.34 1.96 -0.00 0.00 0.00 178.44 180.05 1s80 h GLN 7 N 0.60 0.77 -0.70 2.65 4.20 -0.47 -1.33 115.11 120.83 1s80 h GLN 7 Ca 0.30 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1s80 h GLN 7 Cb 0.24 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1s80 h GLN 7 CO -0.21 0.99 0.44 0.45 -0.67 0.00 0.00 178.83 179.83 1s80 h HIS 8 N 0.64 0.83 -0.40 2.96 3.86 -0.67 -1.73 115.15 120.64 1s80 h HIS 8 Ca 0.07 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1s80 h HIS 8 Cb 0.87 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1s80 h HIS 8 CO 0.05 0.48 0.07 0.82 0.86 0.00 0.00 177.93 180.21 1s80 h ILE 9 N 0.87 1.24 -0.45 2.45 2.04 -0.81 -1.56 117.51 121.29 1s80 h ILE 9 Ca 0.28 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1s80 h ILE 9 Cb 0.00 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1s80 h ILE 9 CO -0.10 0.29 0.28 0.03 0.00 0.00 0.00 178.15 178.65 1s80 h ARG 10 N 0.51 0.60 -0.43 2.37 3.08 -1.14 -0.70 114.38 118.66 1s80 h ARG 10 Ca 0.12 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1s80 h ARG 10 Cb 0.35 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1s80 h ARG 10 CO 0.01 0.43 0.21 0.37 -1.07 0.00 0.00 179.97 179.91 1s80 h GLN 11 N 0.59 0.41 -0.29 0.04 4.15 -1.14 -2.25 115.11 116.63 1s80 h GLN 11 Ca 0.16 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1s80 h GLN 11 Cb -0.03 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1s80 h GLN 11 CO -0.03 0.27 0.14 0.93 -1.93 0.00 0.00 178.83 178.21 1s80 h GLU 12 N 0.42 0.41 -0.73 1.69 5.08 -1.09 -3.10 114.58 117.26 1s80 h GLU 12 Ca 0.19 -0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.63 1s80 h GLU 12 Cb 0.11 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1s80 h GLU 12 CO -0.14 0.39 0.49 0.00 -1.00 0.00 0.00 179.01 178.75 1s80 h ALA 13 N 1.00 2.10 -0.11 3.43 0.00 -0.75 -0.42 119.26 124.51 1s80 h ALA 13 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1s80 h ALA 13 Cb 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1s80 h ALA 13 CO -0.01 -0.29 -0.01 0.87 0.00 0.00 0.00 179.25 179.80 1s80 h LYS 14 N 0.41 0.20 -0.39 0.00 1.57 -1.34 -2.19 116.57 114.82 1s80 h LYS 14 Ca 0.35 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1s80 h LYS 14 Cb 0.80 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1s80 h LYS 14 CO -0.11 0.48 0.23 0.93 -0.57 0.00 0.00 179.45 180.41 1s80 h GLU 15 N -0.10 0.53 -0.53 3.15 4.39 -1.38 -2.61 114.58 118.03 1s80 h GLU 15 Ca 0.03 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1s80 h GLU 15 Cb 0.40 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1s80 h GLU 15 CO 0.01 0.41 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.16 1s80 h LEU 16 N 0.51 0.91 -0.94 1.33 3.38 -1.14 -2.58 115.31 116.77 1s80 h LEU 16 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1s80 h LEU 16 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1s80 h LEU 16 CO -0.02 0.99 0.07 0.00 0.09 0.00 0.00 178.44 179.56 1s80 h ALA 17 N 1.10 1.13 -0.97 1.53 0.00 -1.36 -1.65 119.26 119.04 1s80 h ALA 17 Ca 0.15 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1s80 h ALA 17 Cb 0.55 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1s80 h ALA 17 CO 0.03 0.57 0.63 0.93 0.00 0.00 0.00 179.25 181.42 1s80 h GLU 18 N 0.80 1.21 0.00 0.00 3.07 -1.21 -3.24 114.58 115.22 1s80 h GLU 18 Ca 0.17 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.83 1s80 h GLU 18 Cb 0.38 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1s80 h GLU 18 CO 0.01 0.80 -0.75 -0.91 -1.40 0.00 0.00 179.01 176.76 1s80 h ASN 19 N 1.25 0.00 -3.01 1.42 -0.26 -1.14 -3.42 115.58 110.42 1s80 h ASN 19 Ca 0.38 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.52 1s80 h ASN 19 Cb -0.05 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 36.82 1s80 h ASN 19 CO -0.11 0.51 -0.80 -0.70 -1.06 0.00 0.00 177.43 175.27 1s80 s GLU 20 N -2.96 0.86 0.00 0.81 2.56 -0.65 -5.10 118.70 114.22 1s80 s GLU 20 Ca 0.02 -1.58 -0.02 0.00 0.00 0.00 0.00 54.97 53.39 1s80 s GLU 20 Cb 0.08 -1.77 -0.11 0.00 2.00 0.00 0.00 34.13 34.33 1s80 s GLU 20 CO 0.76 -1.17 1.86 -0.35 -0.56 0.00 0.00 175.26 175.80 1s80 n PRO 21 N 3.90 0.89 0.00 4.30 -0.04 -1.26 -1.75 135.00 141.05 1s80 n PRO 21 Ca 0.09 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1s80 n PRO 21 Cb 0.36 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1s80 n PRO 21 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1s80 n LEU 23 N 2.61 0.00 -0.14 1.53 4.32 -1.26 -4.56 117.00 119.50 1s80 n LEU 23 Ca 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 56.10 1s80 n LEU 23 Cb 0.41 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.24 1s80 n LEU 23 CO 0.16 0.00 1.02 0.00 -1.22 0.00 0.00 177.39 177.35 1s80 h ALA 24 N 0.00 0.55 -0.49 -1.18 0.00 -1.59 -1.23 119.26 115.32 1s80 h ALA 24 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1s80 h ALA 24 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1s80 h ALA 24 CO 0.00 -0.08 -0.09 0.77 0.00 0.00 0.00 179.25 179.85 1s80 h SER 25 N 0.50 0.88 -0.26 0.00 0.02 -1.90 -2.10 113.55 110.69 1s80 h SER 25 Ca 0.18 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1s80 h SER 25 Cb 0.03 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 1s80 h SER 25 CO -0.09 0.99 -0.10 0.15 -1.14 0.00 0.00 176.83 176.64 1s80 h PHE 26 N 0.80 -0.24 -0.95 3.45 3.57 -1.79 -0.31 116.94 121.48 1s80 h PHE 26 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1s80 h PHE 26 Cb 0.61 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 1s80 h PHE 26 CO 0.04 -0.16 0.61 0.74 -2.23 0.00 0.00 178.31 177.30 1s80 h PHE 27 N -0.06 1.22 -0.41 0.41 -1.00 -1.05 -1.00 116.94 115.05 1s80 h PHE 27 Ca 0.13 0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.79 1s80 h PHE 27 Cb 0.26 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1s80 h PHE 27 CO -0.29 0.78 -0.29 0.45 -1.61 0.00 0.00 178.31 177.36 1s80 h HIS 28 N 1.30 1.07 0.00 -0.55 3.86 -1.04 -1.50 115.15 118.29 1s80 h HIS 28 Ca 0.35 -0.29 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1s80 h HIS 28 Cb -0.11 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 1s80 h HIS 28 CO -0.00 1.10 -0.82 0.66 0.86 0.00 0.00 177.93 179.74 1s80 h SER 29 N 0.73 0.00 0.18 2.45 4.64 -0.92 0.27 113.55 120.89 1s80 h SER 29 Ca 0.08 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.05 1s80 h SER 29 Cb 0.87 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.92 1s80 h SER 29 CO 0.08 0.50 -2.07 1.07 -0.87 0.00 0.00 176.83 175.53 1s80 n THR 30 N -3.09 1.63 0.02 2.95 5.66 -0.39 -4.78 114.28 116.28 1s80 n THR 30 Ca -0.02 -0.70 -0.02 0.00 -3.05 0.00 0.00 64.05 60.26 1s80 n THR 30 Cb 0.76 -1.34 -0.01 0.00 -1.55 0.00 0.00 70.33 68.19 1s80 n THR 30 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1s80 n ILE 31 N -3.24 1.23 -0.24 1.09 5.41 -0.64 -4.52 119.36 118.46 1s80 n ILE 31 Ca -0.31 0.33 -0.08 0.00 1.00 0.00 0.00 62.75 63.69 1s80 n ILE 31 Cb 1.05 -1.72 0.04 0.00 -0.71 0.00 0.00 39.64 38.30 1s80 n ILE 31 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1s80 h LEU 32 N -0.19 1.05 0.00 1.39 3.38 -1.11 -2.38 115.31 117.45 1s80 h LEU 32 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1s80 h LEU 32 Cb 0.24 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1s80 h LEU 32 CO -0.00 1.03 0.00 2.29 0.09 0.00 0.00 178.44 181.85 1s80 n LYS 33 N -4.24 0.96 -3.47 1.13 -0.00 0.92 -4.77 118.16 108.68 1s80 n LYS 33 Ca 0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.15 1s80 n LYS 33 Cb 0.28 -1.46 -0.00 0.00 -0.00 0.00 0.00 35.03 33.85 1s80 n LYS 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1s80 s HIS 34 N -2.00 3.23 -0.42 5.58 3.76 -0.90 -5.04 115.29 119.51 1s80 s HIS 34 Ca 0.42 -0.05 0.12 0.00 -0.15 0.00 0.00 55.06 55.40 1s80 s HIS 34 Cb 0.19 -1.96 -0.14 0.00 1.11 0.00 0.00 32.58 31.78 1s80 s HIS 34 CO 0.33 0.02 0.44 1.04 -0.85 0.00 0.00 174.74 175.72 1s80 n GLN 35 N -1.69 2.47 -3.83 1.40 6.02 -1.26 -5.02 117.38 115.46 1s80 n GLN 35 Ca -0.02 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.86 1s80 n GLN 35 Cb 0.58 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.70 1s80 n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s80 s ASN 36 N -2.42 -0.27 0.32 1.08 2.20 -1.26 -5.04 114.94 109.55 1s80 s ASN 36 Ca 0.02 -0.58 0.02 0.00 -0.94 0.00 0.00 52.86 51.38 1s80 s ASN 36 Cb 0.09 0.69 0.59 0.00 -2.00 0.00 0.00 41.25 40.61 1s80 s ASN 36 CO 0.48 -1.26 1.93 0.25 -2.94 0.00 0.00 177.10 175.56 1s80 h LEU 37 N 2.05 0.84 -1.23 3.54 5.85 -1.95 -2.20 115.31 122.20 1s80 h LEU 37 Ca -0.22 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1s80 h LEU 37 Cb 1.26 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1s80 h LEU 37 CO 0.27 0.54 -0.01 1.23 -0.34 0.00 0.00 178.44 180.13 1s80 h GLY 38 N 0.95 0.55 1.01 3.75 0.00 -1.96 0.92 103.07 108.29 1s80 h GLY 38 Ca 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1s80 h GLY 38 CO -0.13 0.31 0.55 -1.33 0.00 0.00 0.00 176.54 175.94 1s80 h GLY 39 N 0.83 1.24 0.81 4.60 0.00 -1.81 -2.17 103.07 106.58 1s80 h GLY 39 Ca 0.10 -0.49 -0.19 0.00 0.00 0.00 0.00 47.33 46.76 1s80 h GLY 39 CO 0.01 0.48 -0.79 0.00 0.00 0.00 0.00 176.54 176.23 1s80 h ALA 40 N 1.30 -0.01 -0.71 3.60 0.00 -1.19 -3.09 119.26 119.15 1s80 h ALA 40 Ca 0.32 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1s80 h ALA 40 Cb -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1s80 h ALA 40 CO -0.06 0.41 0.31 1.25 0.00 0.00 0.00 179.25 181.15 1s80 h LEU 41 N -0.17 0.96 -1.02 0.00 6.46 -0.87 -1.92 115.31 118.75 1s80 h LEU 41 Ca -0.12 -0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.38 1s80 h LEU 41 Cb 1.55 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.22 1s80 h LEU 41 CO 0.15 0.85 -0.36 0.77 -0.62 0.00 0.00 178.44 179.23 1s80 h SER 42 N 1.00 0.24 0.09 1.25 4.64 -1.50 -1.60 113.55 117.68 1s80 h SER 42 Ca 0.24 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1s80 h SER 42 Cb 0.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1s80 h SER 42 CO -0.02 0.59 -0.04 0.22 -0.87 0.00 0.00 176.83 176.71 1s80 h TYR 43 N 0.20 -0.11 -0.01 4.77 3.20 -1.40 -1.57 116.97 122.06 1s80 h TYR 43 Ca 0.02 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1s80 h TYR 43 Cb 0.74 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.05 1s80 h TYR 43 CO 0.01 0.24 0.00 -0.07 -1.64 0.00 0.00 178.16 176.71 1s80 h LEU 44 N -0.47 0.02 -0.24 2.82 3.38 -1.31 -1.83 115.31 117.67 1s80 h LEU 44 Ca -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1s80 h LEU 44 Cb 0.40 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1s80 h LEU 44 CO 0.02 0.17 0.13 -0.07 0.09 0.00 0.00 178.44 178.77 1s80 h LEU 45 N -0.14 0.31 -0.66 1.67 3.38 -1.38 0.47 115.31 118.96 1s80 h LEU 45 Ca 0.00 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.99 1s80 h LEU 45 Cb 0.15 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1s80 h LEU 45 CO -0.00 0.32 0.19 0.00 0.09 0.00 0.00 178.44 179.04 1s80 h ALA 46 N 1.00 0.84 -0.03 1.53 0.00 -1.25 -0.08 119.26 121.27 1s80 h ALA 46 Ca 0.08 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1s80 h ALA 46 Cb 0.09 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s80 h ALA 46 CO -0.01 -0.27 0.00 -0.91 0.00 0.00 0.00 179.25 178.06 1s80 h ASN 47 N 0.33 0.05 0.08 0.00 2.35 -0.91 -2.04 115.58 115.44 1s80 h ASN 47 Ca 0.35 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1s80 h ASN 47 Cb 0.52 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1s80 h ASN 47 CO -0.40 0.33 -0.04 0.11 -1.65 0.00 0.00 177.43 175.78 1s80 h LYS 48 N -0.23 0.00 -0.07 0.81 1.57 -0.52 -3.00 116.57 115.13 1s80 h LYS 48 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1s80 h LYS 48 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1s80 h LYS 48 CO 0.00 0.04 0.00 1.28 -0.57 0.00 0.00 179.45 180.20 1s80 n LEU 49 N -3.99 2.36 -4.74 2.94 4.77 -0.08 -4.88 117.00 113.39 1s80 n LEU 49 Ca -0.03 -1.11 -0.37 0.00 -0.03 0.00 0.00 56.01 54.47 1s80 n LEU 49 Cb 0.13 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1s80 n LEU 49 CO 0.30 0.45 0.91 0.00 -1.33 0.00 0.00 177.39 177.72 1s80 s ALA 50 N -1.23 2.49 0.03 -1.18 0.00 -0.77 -4.97 121.76 116.13 1s80 s ALA 50 Ca 0.19 1.19 -0.24 0.00 0.00 0.00 0.00 51.96 53.10 1s80 s ALA 50 Cb 0.13 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1s80 s ALA 50 CO 0.19 -1.47 0.56 1.21 0.00 0.00 0.00 175.76 176.26 1s80 s ASN 51 N -1.36 -0.50 0.58 0.00 3.84 -1.26 -4.94 114.94 111.29 1s80 s ASN 51 Ca 0.80 0.29 0.27 0.00 0.21 0.00 0.00 52.86 54.43 1s80 s ASN 51 Cb -0.37 0.51 1.61 0.00 -0.55 0.00 0.00 41.25 42.46 1s80 s ASN 51 CO 0.40 -0.71 2.12 -0.65 -2.79 0.00 0.00 177.10 175.47 1s80 h PRO 52 N 2.78 0.00 0.00 0.43 0.11 -2.05 -1.26 132.00 132.02 1s80 h PRO 52 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1s80 h PRO 52 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1s80 h PRO 52 CO 0.40 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.30 1s80 n ILE 53 N -3.95 0.00 -4.03 4.15 5.41 -1.26 -5.11 119.36 114.57 1s80 n ILE 53 Ca 0.01 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.68 1s80 n ILE 53 Cb 0.29 -0.96 -0.09 0.00 -0.71 0.00 0.00 39.64 38.16 1s80 n ILE 53 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1s80 s PRO 55 N -1.98 0.72 0.22 0.38 0.04 -0.48 -5.14 135.00 128.76 1s80 s PRO 55 Ca 0.00 -1.18 -0.12 0.00 0.04 0.00 0.00 61.00 59.75 1s80 s PRO 55 Cb 0.00 0.25 0.30 0.00 0.04 0.00 0.00 34.50 35.09 1s80 s PRO 55 CO 0.00 -0.18 1.63 0.00 0.04 0.00 0.00 177.00 178.49 1s80 h ALA 56 N 3.00 0.53 -0.73 8.56 0.00 -1.84 0.81 119.26 129.58 1s80 h ALA 56 Ca -0.34 0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1s80 h ALA 56 Cb 1.16 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1s80 h ALA 56 CO 0.62 -0.42 0.48 0.97 0.00 0.00 0.00 179.25 180.90 1s80 h ILE 57 N 0.04 1.05 0.12 0.00 2.10 -1.99 0.10 117.51 118.93 1s80 h ILE 57 Ca 0.34 -0.28 -0.32 0.00 1.08 0.00 0.00 64.86 65.68 1s80 h ILE 57 Cb 0.54 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 36.43 1s80 h ILE 57 CO -0.65 0.15 -1.66 -1.28 -1.08 0.00 0.00 178.15 173.63 1s80 h SER 58 N 0.81 0.38 -0.18 2.19 0.87 -1.76 -3.31 113.55 112.56 1s80 h SER 58 Ca 0.31 -0.61 -0.07 0.00 -1.23 0.00 0.00 61.79 60.20 1s80 h SER 58 Cb 0.19 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1s80 h SER 58 CO -0.10 1.52 -0.08 0.25 -0.53 0.00 0.00 176.83 177.88 1s80 h LEU 59 N 0.07 0.50 -1.64 2.23 6.46 -0.59 -2.85 115.31 119.49 1s80 h LEU 59 Ca -0.29 -0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.39 1s80 h LEU 59 Cb 2.03 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.80 1s80 h LEU 59 CO 0.14 0.63 0.31 -0.09 -0.62 0.00 0.00 178.44 178.81 1s80 h ARG 60 N 0.49 0.45 -0.27 1.25 1.12 -0.89 -2.26 114.38 114.27 1s80 h ARG 60 Ca 0.10 -0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.80 1s80 h ARG 60 Cb 0.45 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1s80 h ARG 60 CO 0.02 0.30 -0.38 0.93 -3.11 0.00 0.00 179.97 177.73 1s80 h GLU 61 N 0.46 0.74 -0.69 0.20 5.08 -1.63 -1.18 114.58 117.56 1s80 h GLU 61 Ca 0.20 -0.43 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1s80 h GLU 61 Cb 0.20 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1s80 h GLU 61 CO -0.05 1.06 0.40 0.82 -1.00 0.00 0.00 179.01 180.24 1s80 h ILE 62 N 0.48 1.02 -0.56 3.13 5.03 -1.44 -0.80 117.51 124.38 1s80 h ILE 62 Ca 0.03 -0.26 -0.10 0.00 -0.12 0.00 0.00 64.86 64.41 1s80 h ILE 62 Cb 0.97 0.19 -0.02 0.00 -3.03 0.00 0.00 36.82 34.93 1s80 h ILE 62 CO 0.09 0.14 -0.04 0.40 -0.68 0.00 0.00 178.15 178.06 1s80 h ILE 63 N 0.76 1.26 -0.24 -0.67 2.04 -1.24 -2.14 117.51 117.28 1s80 h ILE 63 Ca 0.30 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.85 1s80 h ILE 63 Cb 0.13 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1s80 h ILE 63 CO -0.15 0.41 -0.45 -0.33 0.00 0.00 0.00 178.15 177.63 1s80 h GLU 64 N 0.90 0.60 -0.50 2.37 5.08 -0.91 -0.97 114.58 121.14 1s80 h GLU 64 Ca 0.16 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 1s80 h GLU 64 Cb 0.57 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1s80 h GLU 64 CO 0.03 0.93 0.11 1.49 -1.00 0.00 0.00 179.01 180.56 1s80 h GLU 65 N 0.48 0.81 -0.66 2.33 4.22 -0.98 -0.44 114.58 120.35 1s80 h GLU 65 Ca 0.03 -0.21 0.04 0.00 0.08 0.00 0.00 59.36 59.31 1s80 h GLU 65 Cb 0.97 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1s80 h GLU 65 CO 0.09 0.80 0.39 0.00 -2.18 0.00 0.00 179.01 178.10 1s80 h ALA 66 N 0.98 0.87 -0.18 2.92 0.00 -1.08 -0.55 119.26 122.22 1s80 h ALA 66 Ca 0.16 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1s80 h ALA 66 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s80 h ALA 66 CO 0.00 0.12 -0.23 1.88 0.00 0.00 0.00 179.25 181.03 1s80 h TYR 67 N 0.75 0.35 -0.12 0.00 0.99 -0.93 -0.60 116.97 117.41 1s80 h TYR 67 Ca 0.28 -0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.89 1s80 h TYR 67 Cb 0.09 -0.09 -0.00 0.00 1.00 0.00 0.00 36.73 37.72 1s80 h TYR 67 CO -0.06 0.53 -0.14 0.37 -0.00 0.00 0.00 178.16 178.86 1s80 h GLN 68 N 0.29 0.31 -0.00 4.88 4.15 -0.60 -2.74 115.11 121.39 1s80 h GLN 68 Ca 0.05 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1s80 h GLN 68 Cb 0.56 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1s80 h GLN 68 CO 0.04 0.72 -0.29 -1.13 -1.93 0.00 0.00 178.83 176.24 1s80 n SER 69 N -4.58 0.49 -3.16 -0.69 3.41 -0.26 -4.24 113.62 104.59 1s80 n SER 69 Ca -0.07 -0.27 -0.16 0.00 -0.26 0.00 0.00 58.87 58.11 1s80 n SER 69 Cb 0.36 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1s80 n SER 69 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1s80 s ASN 70 N -2.82 0.27 0.62 4.04 2.47 -0.24 -5.03 114.94 114.24 1s80 s ASN 70 Ca 0.17 -2.24 0.35 0.00 0.42 0.00 0.00 52.86 51.55 1s80 s ASN 70 Cb 0.19 0.66 2.01 0.00 -1.45 0.00 0.00 41.25 42.66 1s80 s ASN 70 CO 0.60 -0.14 2.28 -0.65 -3.72 0.00 0.00 177.10 175.46 1s80 h PRO 71 N 5.73 0.00 0.00 0.43 0.11 -1.66 -2.77 132.00 133.83 1s80 h PRO 71 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1s80 h PRO 71 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1s80 h PRO 71 CO 0.20 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.65 1s80 h SER 72 N 0.00 0.00 -0.65 -2.05 4.64 -1.94 -2.67 113.55 110.88 1s80 h SER 72 Ca 0.01 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.45 1s80 h SER 72 Cb 0.06 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.06 1s80 h SER 72 CO -0.00 0.00 0.20 0.40 -0.87 0.00 0.00 176.83 176.56 1s80 h ILE 73 N 0.00 0.66 -0.63 0.95 2.04 -1.86 -1.28 117.51 117.40 1s80 h ILE 73 Ca 0.00 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1s80 h ILE 73 Cb 0.46 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1s80 h ILE 73 CO 0.00 0.06 0.21 0.40 0.00 0.00 0.00 178.15 178.83 1s80 h ILE 74 N 0.34 1.23 -0.42 -0.67 2.04 -1.71 -2.84 117.51 115.48 1s80 h ILE 74 Ca 0.35 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 1s80 h ILE 74 Cb 0.51 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1s80 h ILE 74 CO -0.39 0.30 0.02 0.44 0.00 0.00 0.00 178.15 178.52 1s80 h ASP 75 N 0.92 0.64 -0.31 1.72 3.32 -1.39 -2.39 116.42 118.94 1s80 h ASP 75 Ca 0.21 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1s80 h ASP 75 Cb 0.24 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1s80 h ASP 75 CO -0.01 0.70 0.15 0.00 -1.72 0.00 0.00 179.24 178.36 1s80 h ALA 77 N 1.16 1.72 -0.26 0.00 0.00 -1.24 0.59 119.26 121.23 1s80 h ALA 77 Ca 0.13 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1s80 h ALA 77 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1s80 h ALA 77 CO -0.09 -0.13 -0.16 0.00 0.00 0.00 0.00 179.25 178.87 1s80 h ALA 78 N 1.68 0.37 -0.38 0.00 0.00 -0.95 -0.48 119.26 119.50 1s80 h ALA 78 Ca 0.60 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1s80 h ALA 78 Cb 1.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1s80 h ALA 78 CO -0.42 0.27 0.21 0.00 0.00 0.00 0.00 179.25 179.32 1s80 h ASP 80 N 0.43 0.99 -0.34 0.00 3.32 0.28 0.22 116.42 121.32 1s80 h ASP 80 Ca 0.15 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1s80 h ASP 80 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1s80 h ASP 80 CO -0.08 0.64 0.11 0.40 -1.72 0.00 0.00 179.24 178.58 1s80 h ILE 81 N 1.13 1.21 -0.56 0.35 2.04 -0.82 -2.23 117.51 118.64 1s80 h ILE 81 Ca 0.41 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1s80 h ILE 81 Cb 0.14 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1s80 h ILE 81 CO -0.16 0.23 -0.10 -0.61 0.00 0.00 0.00 178.15 177.51 1s80 h GLN 82 N 0.40 1.05 -0.47 2.37 4.15 -0.99 -2.59 115.11 119.03 1s80 h GLN 82 Ca 0.11 -0.38 0.03 0.00 0.77 0.00 0.00 58.65 59.18 1s80 h GLN 82 Cb 0.25 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 1s80 h GLN 82 CO -0.00 1.08 0.26 0.00 -1.93 0.00 0.00 178.83 178.24 1s80 h ALA 83 N 0.93 0.60 -0.30 3.38 0.00 -0.42 -1.26 119.26 122.19 1s80 h ALA 83 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1s80 h ALA 83 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1s80 h ALA 83 CO 0.05 -0.06 -0.32 0.28 0.00 0.00 0.00 179.25 179.19 1s80 h VAL 84 N 0.52 1.30 -0.17 0.00 2.07 -1.39 -1.26 116.25 117.31 1s80 h VAL 84 Ca 0.20 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1s80 h VAL 84 Cb 0.05 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1s80 h VAL 84 CO -0.11 0.48 0.11 -0.09 0.02 0.00 0.00 177.57 177.98 1s80 h ARG 85 N 0.50 0.23 0.38 1.57 2.43 -1.33 -0.97 114.38 117.19 1s80 h ARG 85 Ca 0.04 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1s80 h ARG 85 Cb 0.90 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1s80 h ARG 85 CO 0.08 0.18 -0.24 1.25 -1.51 0.00 0.00 179.97 179.73 1s80 h HIS 86 N 0.22 -0.62 0.00 2.20 2.76 -1.23 -3.32 115.15 115.16 1s80 h HIS 86 Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1s80 h HIS 86 Cb 0.00 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1s80 h HIS 86 CO -0.06 -0.37 -0.21 0.00 -1.30 0.00 0.00 177.93 176.00 1s80 h ARG 87 N -0.59 0.00 -4.69 5.26 3.08 -1.13 -3.43 114.38 112.87 1s80 h ARG 87 Ca -0.04 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.32 1s80 h ARG 87 Cb 0.49 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.33 1s80 h ARG 87 CO 0.04 0.00 -0.51 0.34 -1.07 0.00 0.00 179.97 178.77 1s80 s ASP 88 N -5.91 5.82 0.50 7.04 -1.08 -0.38 -4.97 116.67 117.69 1s80 s ASP 88 Ca 0.06 -0.61 0.26 0.00 -0.52 0.00 0.00 52.55 51.73 1s80 s ASP 88 Cb 0.06 -2.07 1.31 0.00 -1.46 0.00 0.00 42.92 40.76 1s80 s ASP 88 CO 0.69 -0.27 2.01 -0.65 0.52 0.00 0.00 175.17 177.47 1s80 h PRO 89 N 8.45 0.00 0.00 4.34 0.11 -1.84 -2.35 132.00 140.71 1s80 h PRO 89 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1s80 h PRO 89 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1s80 h PRO 89 CO 0.64 0.15 -0.19 0.00 -0.21 0.00 0.00 178.00 178.40 1s80 h ALA 90 N 1.85 1.01 -2.65 -0.75 0.00 -1.93 -3.42 119.26 113.37 1s80 h ALA 90 Ca -0.00 -0.17 -0.67 0.00 0.00 0.00 0.00 54.91 54.07 1s80 h ALA 90 Cb 0.42 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.00 1s80 h ALA 90 CO 0.02 0.24 -0.37 0.08 0.00 0.00 0.00 179.25 179.22 1s80 s VAL 91 N -3.62 5.22 -0.14 0.00 1.01 -0.88 -4.90 120.40 117.09 1s80 s VAL 91 Ca 0.01 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1s80 s VAL 91 Cb 0.10 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 1s80 s VAL 91 CO 0.63 -0.06 -0.09 -0.62 0.00 0.00 0.00 175.10 174.96 1s80 n GLU 92 N 5.27 0.83 -3.17 2.72 1.02 -1.26 -4.73 120.64 121.31 1s80 n GLU 92 Ca -0.11 0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.73 1s80 n GLU 92 Cb 0.49 -1.29 -0.06 0.00 -0.02 0.00 0.00 31.44 30.56 1s80 n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s80 s LEU 93 N -5.59 4.37 0.37 -4.62 1.43 -1.26 -4.97 118.68 108.41 1s80 s LEU 93 Ca -0.16 1.34 0.10 0.00 -1.03 0.00 0.00 54.13 54.38 1s80 s LEU 93 Cb 0.05 -3.44 0.73 0.00 0.03 0.00 0.00 46.19 43.56 1s80 s LEU 93 CO 0.37 0.08 1.87 -0.50 0.23 0.00 0.00 176.35 178.40 1s80 h TRP 94 N 3.59 0.18 0.00 0.29 4.06 -1.95 -3.01 115.95 119.11 1s80 h TRP 94 Ca -0.48 -0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.34 1s80 h TRP 94 Cb 1.20 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 1s80 h TRP 94 CO 0.64 0.40 -0.48 0.66 -3.56 0.00 0.00 178.44 176.10 1s80 h SER 95 N 0.16 0.00 0.11 -3.49 4.64 -1.89 -3.38 113.55 109.70 1s80 h SER 95 Ca 0.03 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1s80 h SER 95 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1s80 h SER 95 CO 0.03 0.48 -0.13 0.74 -0.87 0.00 0.00 176.83 177.08 1s80 h THR 96 N 0.00 0.70 -0.89 2.95 2.02 -1.94 -1.26 112.91 114.49 1s80 h THR 96 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1s80 h THR 96 Cb 1.13 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 1s80 h THR 96 CO 0.06 0.00 0.54 -0.65 0.37 0.00 0.00 175.52 175.85 1s80 h PRO 97 N -0.28 0.91 -0.77 6.66 0.11 -1.77 0.32 132.00 137.18 1s80 h PRO 97 Ca 0.01 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1s80 h PRO 97 Cb 0.28 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 1s80 h PRO 97 CO -0.05 0.60 0.43 1.25 -0.21 0.00 0.00 178.00 180.03 1s80 h LEU 98 N 0.94 0.94 0.11 2.35 7.12 -1.64 -3.19 115.31 121.94 1s80 h LEU 98 Ca 0.41 -0.09 -0.36 0.00 0.13 0.00 0.00 57.88 57.98 1s80 h LEU 98 Cb 0.30 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 1s80 h LEU 98 CO -0.22 0.76 -1.98 0.18 -0.13 0.00 0.00 178.44 177.05 1s80 n LEU 99 N -4.46 2.43 0.00 2.25 4.32 -0.52 -4.79 117.00 116.23 1s80 n LEU 99 Ca 0.07 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1s80 n LEU 99 Cb 0.08 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 1s80 n LEU 99 CO 0.38 0.80 -0.12 -1.22 -1.22 0.00 0.00 177.39 176.01 1s80 n TYR 100 N -3.42 0.00 -3.49 -1.77 0.53 0.10 -5.02 117.16 104.09 1s80 n TYR 100 Ca -0.30 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.18 1s80 n TYR 100 Cb 1.05 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 39.26 1s80 n TYR 100 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1s80 s LEU 101 N -1.37 4.30 0.36 7.72 1.43 -1.20 -4.95 118.68 124.96 1s80 s LEU 101 Ca 0.00 -0.16 0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1s80 s LEU 101 Cb 0.00 -2.23 0.57 0.00 0.03 0.00 0.00 46.19 44.56 1s80 s LEU 101 CO 0.00 -0.21 1.68 0.07 0.23 0.00 0.00 176.35 178.12 1s80 h LYS 102 N 8.41 0.00 -0.75 1.70 2.10 -1.92 -2.13 116.57 123.98 1s80 h LYS 102 Ca -0.32 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.31 1s80 h LYS 102 Cb 1.16 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.46 1s80 h LYS 102 CO 0.63 0.38 0.36 0.78 -2.00 0.00 0.00 179.45 179.61 1s80 h GLY 103 N 2.42 1.14 1.01 0.07 0.00 -1.89 -0.66 103.07 105.16 1s80 h GLY 103 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 1s80 h GLY 103 CO 0.05 0.53 -0.17 -2.75 0.00 0.00 0.00 176.54 174.19 1s80 h PHE 104 N 1.06 0.94 -0.51 5.60 3.57 -1.59 -2.23 116.94 123.78 1s80 h PHE 104 Ca 0.26 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1s80 h PHE 104 Cb 0.10 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1s80 h PHE 104 CO 0.01 0.98 -0.03 0.45 -2.23 0.00 0.00 178.31 177.50 1s80 h HIS 105 N 0.62 0.95 0.09 0.41 3.86 -1.23 -2.30 115.15 117.56 1s80 h HIS 105 Ca 0.09 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1s80 h HIS 105 Cb 0.72 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.94 1s80 h HIS 105 CO 0.06 0.87 -0.06 0.00 0.86 0.00 0.00 177.93 179.66 1s80 h ALA 106 N 1.16 -0.14 0.07 2.45 0.00 -1.01 -1.07 119.26 120.72 1s80 h ALA 106 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1s80 h ALA 106 Cb 0.52 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1s80 h ALA 106 CO 0.03 -0.58 -0.18 0.82 0.00 0.00 0.00 179.25 179.33 1s80 h ILE 107 N -0.14 0.58 -0.09 0.00 2.04 -1.21 0.06 117.51 118.74 1s80 h ILE 107 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1s80 h ILE 107 Cb 0.12 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1s80 h ILE 107 CO 0.01 0.00 -0.26 1.56 0.00 0.00 0.00 178.15 179.46 1s80 h GLN 108 N -0.33 0.16 -0.24 2.37 1.08 -1.34 -2.13 115.11 114.68 1s80 h GLN 108 Ca 0.04 -0.05 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 1s80 h GLN 108 Cb 0.37 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1s80 h GLN 108 CO -0.13 0.41 -0.57 0.77 -0.95 0.00 0.00 178.83 178.37 1s80 h SER 109 N 0.15 0.83 -0.91 1.46 0.02 -0.92 -2.77 113.55 111.41 1s80 h SER 109 Ca 0.02 -0.46 0.10 0.00 -0.84 0.00 0.00 61.79 60.62 1s80 h SER 109 Cb 0.54 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.77 1s80 h SER 109 CO 0.04 1.22 0.59 0.22 -1.14 0.00 0.00 176.83 177.76 1s80 h TYR 110 N 0.56 0.98 0.00 3.45 3.20 -0.34 -2.08 116.97 122.74 1s80 h TYR 110 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1s80 h TYR 110 Cb 1.16 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 1s80 h TYR 110 CO 0.06 0.43 -0.06 0.00 -1.64 0.00 0.00 178.16 176.95 1s80 h ARG 111 N 0.89 0.00 -0.25 1.82 3.08 -1.15 -0.10 114.38 118.68 1s80 h ARG 111 Ca 0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.30 1s80 h ARG 111 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1s80 h ARG 111 CO -0.19 0.06 -0.53 0.82 -1.07 0.00 0.00 179.97 179.06 1s80 h ILE 112 N 0.00 1.29 -0.06 2.04 1.08 -1.41 -2.47 117.51 117.98 1s80 h ILE 112 Ca -0.00 -1.73 -0.12 0.00 -0.39 0.00 0.00 64.86 62.62 1s80 h ILE 112 Cb 0.13 1.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 1s80 h ILE 112 CO 0.01 0.56 -0.52 0.71 -0.69 0.00 0.00 178.15 178.21 1s80 h THR 113 N 0.55 1.36 -0.11 -0.27 1.35 -0.94 -1.72 112.91 113.13 1s80 h THR 113 Ca 0.00 -1.79 -0.04 0.00 -0.55 0.00 0.00 66.41 64.03 1s80 h THR 113 Cb 1.14 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1s80 h THR 113 CO 0.12 0.52 -0.10 -0.74 -0.25 0.00 0.00 175.52 175.08 1s80 h HIS 114 N 0.13 0.31 -0.37 4.73 -0.00 -1.11 0.89 115.15 119.73 1s80 h HIS 114 Ca 0.00 -0.09 0.08 0.00 -0.00 0.00 0.00 60.37 60.36 1s80 h HIS 114 Cb 0.96 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 28.23 1s80 h HIS 114 CO 0.01 0.66 -0.17 -0.92 -0.00 0.00 0.00 177.93 177.51 1s80 h TYR 115 N -0.13 -0.42 -0.62 5.26 3.20 -1.41 -1.96 116.97 120.88 1s80 h TYR 115 Ca 0.02 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 1s80 h TYR 115 Cb 0.61 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 1s80 h TYR 115 CO 0.08 -0.25 0.09 -0.07 -1.64 0.00 0.00 178.16 176.37 1s80 h LEU 116 N -0.11 0.97 -0.54 2.82 3.38 -1.03 -2.25 115.31 118.56 1s80 h LEU 116 Ca 0.18 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1s80 h LEU 116 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1s80 h LEU 116 CO -0.44 0.98 0.33 -0.25 0.09 0.00 0.00 178.44 179.15 1s80 h TRP 117 N 0.95 0.62 0.00 1.13 2.91 -0.64 -0.31 115.95 120.61 1s80 h TRP 117 Ca 0.19 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.23 1s80 h TRP 117 Cb 0.43 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 1s80 h TRP 117 CO 0.03 0.37 0.00 -0.91 -1.03 0.00 0.00 178.44 176.90 1s80 h ASN 118 N 0.66 0.00 -0.54 2.65 2.35 -0.96 -2.23 115.58 117.52 1s80 h ASN 118 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1s80 h ASN 118 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1s80 h ASN 118 CO -0.08 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.70 1s80 n GLN 119 N -2.42 3.74 -4.04 0.81 1.13 -0.82 -4.94 117.38 110.85 1s80 n GLN 119 Ca 0.01 -2.56 -0.32 0.00 -1.94 0.00 0.00 57.00 52.19 1s80 n GLN 119 Cb 0.22 -1.94 0.00 0.00 0.11 0.00 0.00 30.24 28.63 1s80 n GLN 119 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1s80 n ASN 120 N 0.80 -3.90 -3.51 1.08 3.02 -0.84 -4.89 115.26 107.02 1s80 n ASN 120 Ca 0.23 -0.88 -0.35 0.00 -0.03 0.00 0.00 54.58 53.54 1s80 n ASN 120 Cb 0.89 -3.40 -0.02 0.00 -0.61 0.00 0.00 39.78 36.64 1s80 n ASN 120 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1s80 n ARG 121 N -4.54 4.10 -0.05 3.52 1.74 -0.19 -4.87 116.66 116.38 1s80 n ARG 121 Ca 0.03 -4.69 -0.16 0.00 -0.77 0.00 0.00 57.85 52.26 1s80 n ARG 121 Cb 0.52 -2.38 -0.05 0.00 -1.02 0.00 0.00 32.46 29.53 1s80 n ARG 121 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1s80 h LYS 122 N 4.20 0.82 -0.29 5.56 1.57 -1.85 -2.17 116.57 124.40 1s80 h LYS 122 Ca 0.29 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1s80 h LYS 122 Cb 0.50 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1s80 h LYS 122 CO 1.06 1.21 0.14 0.77 -0.57 0.00 0.00 179.45 182.06 1s80 h SER 123 N 0.60 0.35 0.08 0.86 0.02 -1.96 -0.63 113.55 112.87 1s80 h SER 123 Ca -0.02 -0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.63 1s80 h SER 123 Cb 1.28 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.75 1s80 h SER 123 CO 0.14 0.30 -1.10 0.25 -1.14 0.00 0.00 176.83 175.28 1s80 h LEU 124 N 0.39 0.87 -0.82 5.07 6.46 -1.93 -2.15 115.31 123.20 1s80 h LEU 124 Ca 0.10 -0.73 -0.01 0.00 -0.12 0.00 0.00 57.88 57.12 1s80 h LEU 124 Cb 0.05 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.67 1s80 h LEU 124 CO -0.01 1.53 0.46 0.00 -0.62 0.00 0.00 178.44 179.79 1s80 h ALA 125 N 0.40 1.05 -0.28 1.25 0.00 -1.01 -1.28 119.26 119.39 1s80 h ALA 125 Ca -0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1s80 h ALA 125 Cb 1.76 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1s80 h ALA 125 CO 0.21 0.56 -0.26 -0.07 0.00 0.00 0.00 179.25 179.69 1s80 h LEU 126 N 1.14 0.72 -0.49 0.00 3.38 -1.15 0.25 115.31 119.15 1s80 h LEU 126 Ca 0.29 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.89 1s80 h LEU 126 Cb 0.02 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 1s80 h LEU 126 CO -0.05 1.04 -0.02 0.22 0.09 0.00 0.00 178.44 179.72 1s80 h TYR 127 N 0.42 -0.06 -0.12 1.13 3.20 -1.15 -2.56 116.97 117.82 1s80 h TYR 127 Ca 0.05 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 1s80 h TYR 127 Cb 0.82 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 1s80 h TYR 127 CO 0.07 -0.13 -0.60 -0.07 -1.64 0.00 0.00 178.16 175.79 1s80 h LEU 128 N 0.10 0.48 -0.88 2.82 3.38 -1.08 -2.35 115.31 117.77 1s80 h LEU 128 Ca 0.25 -0.27 0.20 0.00 0.09 0.00 0.00 57.88 58.14 1s80 h LEU 128 Cb 0.37 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 40.87 1s80 h LEU 128 CO -0.42 0.97 0.39 -0.61 0.09 0.00 0.00 178.44 178.86 1s80 h GLN 129 N 0.31 0.43 -0.09 1.13 4.15 -0.24 0.22 115.11 121.03 1s80 h GLN 129 Ca -0.01 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.25 1s80 h GLN 129 Cb 1.14 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.74 1s80 h GLN 129 CO 0.10 0.29 -0.49 -0.97 -1.93 0.00 0.00 178.83 175.83 1s80 h ASN 130 N 0.45 0.59 -0.28 -0.69 -0.73 -1.26 -1.13 115.58 112.53 1s80 h ASN 130 Ca 0.53 -0.65 0.05 0.00 1.87 0.00 0.00 56.30 58.09 1s80 h ASN 130 Cb 0.94 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 39.31 1s80 h ASN 130 CO -0.49 1.14 0.00 1.56 -0.37 0.00 0.00 177.43 179.28 1s80 h GLN 131 N 0.07 0.08 -0.53 6.67 1.08 -0.85 0.19 115.11 121.84 1s80 h GLN 131 Ca -0.03 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.23 1s80 h GLN 131 Cb 1.14 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.49 1s80 h GLN 131 CO 0.10 0.06 0.19 0.82 -0.95 0.00 0.00 178.83 179.04 1s80 h ILE 132 N 0.09 0.81 -0.39 2.54 2.04 -0.56 0.27 117.51 122.31 1s80 h ILE 132 Ca 0.13 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 1s80 h ILE 132 Cb 0.17 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1s80 h ILE 132 CO -0.22 0.07 -0.02 -1.28 0.00 0.00 0.00 178.15 176.70 1s80 h SER 133 N 0.36 0.59 0.10 1.72 0.87 -0.08 -0.91 113.55 116.20 1s80 h SER 133 Ca 0.26 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.55 1s80 h SER 133 Cb 0.29 -0.16 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1s80 h SER 133 CO -0.26 0.67 -0.61 0.58 -0.53 0.00 0.00 176.83 176.68 1s80 h VAL 134 N 0.59 1.57 -0.57 2.23 2.07 0.09 -1.13 116.25 121.10 1s80 h VAL 134 Ca 0.12 -2.45 -0.10 0.00 0.82 0.00 0.00 66.70 65.09 1s80 h VAL 134 Cb 0.40 3.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1s80 h VAL 134 CO 0.02 0.68 -0.02 0.00 0.02 0.00 0.00 177.57 178.27 1s80 h ALA 135 N 0.08 0.88 0.00 1.67 0.00 -0.43 -3.36 119.26 118.11 1s80 h ALA 135 Ca -0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1s80 h ALA 135 Cb 1.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1s80 h ALA 135 CO 0.11 0.65 0.00 1.19 0.00 0.00 0.00 179.25 181.21 1s80 n PHE 136 N -4.18 0.00 -2.07 0.00 0.99 -0.35 -5.02 117.46 106.83 1s80 n PHE 136 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.38 1s80 n PHE 136 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 38.82 1s80 n PHE 136 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1s80 n ASP 137 N -0.45 -3.49 -3.96 4.37 9.92 -0.43 -4.52 116.55 117.98 1s80 n ASP 137 Ca 0.00 0.03 -0.27 0.00 -0.53 0.00 0.00 54.79 54.02 1s80 n ASP 137 Cb 0.00 -2.63 -0.17 0.00 -0.64 0.00 0.00 41.12 37.68 1s80 n ASP 137 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1s80 s VAL 138 N -2.49 1.14 -0.38 2.53 1.01 -1.24 -1.64 120.40 119.33 1s80 s VAL 138 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 1s80 s VAL 138 Cb 0.00 -1.10 0.07 0.00 0.00 0.00 0.00 36.38 35.35 1s80 s VAL 138 CO 0.00 0.38 0.18 -0.62 0.00 0.00 0.00 175.10 175.03 1s80 s ASP 139 N 1.33 5.38 -0.14 3.32 -1.08 -0.52 -3.10 116.67 121.86 1s80 s ASP 139 Ca -0.02 -1.51 0.01 0.00 -0.52 0.00 0.00 52.55 50.51 1s80 s ASP 139 Cb -0.14 -1.89 0.02 0.00 -1.46 0.00 0.00 42.92 39.45 1s80 s ASP 139 CO -0.05 -0.45 -0.17 -0.63 0.52 0.00 0.00 175.17 174.39 1s80 s ILE 140 N 1.33 1.74 0.26 4.11 1.01 -1.26 -0.13 121.20 128.25 1s80 s ILE 140 Ca 0.02 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1s80 s ILE 140 Cb -0.22 -1.58 -0.09 0.00 0.01 0.00 0.00 42.46 40.58 1s80 s ILE 140 CO 0.00 0.49 1.23 -2.28 0.00 0.00 0.00 174.94 174.38 1s80 s HIS 141 N 1.14 3.32 0.51 3.97 5.65 -0.67 -4.90 115.29 124.31 1s80 s HIS 141 Ca -0.02 1.46 0.28 0.00 0.25 0.00 0.00 55.06 57.03 1s80 s HIS 141 Cb -0.14 -3.50 1.38 0.00 -1.18 0.00 0.00 32.58 29.14 1s80 s HIS 141 CO -0.06 -1.36 1.89 -1.35 -0.65 0.00 0.00 174.74 173.21 1s80 h PRO 142 N 4.31 0.10 0.00 2.88 0.11 -1.90 -2.52 132.00 134.97 1s80 h PRO 142 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1s80 h PRO 142 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1s80 h PRO 142 CO 0.70 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1s80 n ALA 143 N -2.66 2.25 -1.39 -0.75 0.00 -1.26 -3.99 120.51 112.72 1s80 n ALA 143 Ca 0.18 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 1s80 n ALA 143 Cb 0.87 -1.44 0.08 0.00 0.00 0.00 0.00 19.45 18.96 1s80 n ALA 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s80 s ALA 144 N -3.01 2.20 -0.23 0.00 0.00 -0.95 -4.77 121.76 115.00 1s80 s ALA 144 Ca 0.13 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.87 1s80 s ALA 144 Cb 0.17 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1s80 s ALA 144 CO 0.50 -1.74 -0.10 0.15 0.00 0.00 0.00 175.76 174.58 1s80 s LYS 145 N -3.96 2.85 -0.09 0.00 1.02 -0.97 -4.99 119.74 113.59 1s80 s LYS 145 Ca 0.72 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.78 1s80 s LYS 145 Cb -0.27 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 1s80 s LYS 145 CO 0.44 -0.36 -0.18 0.42 -0.92 0.00 0.00 175.35 174.76 1s80 s ILE 146 N 1.30 1.60 0.00 2.17 1.01 -1.26 -0.53 121.20 125.49 1s80 s ILE 146 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1s80 s ILE 146 Cb -0.16 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1s80 s ILE 146 CO -0.07 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1s80 n GLY 147 N 3.78 -0.06 3.36 6.18 0.00 0.89 -4.98 105.19 114.35 1s80 n GLY 147 Ca -0.21 -1.37 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 1s80 n GLY 147 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1s80 s HIS 148 N 0.00 1.69 -0.36 1.61 -3.43 -1.26 -4.72 115.29 108.82 1s80 s HIS 148 Ca 0.00 -0.77 -0.01 0.00 -0.80 0.00 0.00 55.06 53.48 1s80 s HIS 148 Cb 0.00 -0.93 0.00 0.00 -1.43 0.00 0.00 32.58 30.22 1s80 s HIS 148 CO 0.00 0.15 0.13 0.41 -2.00 0.00 0.00 174.74 173.43 1s80 n GLY 149 N -0.45 0.39 0.00 -1.38 0.00 -1.26 -1.53 105.19 100.96 1s80 n GLY 149 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1s80 n GLY 149 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s80 n ILE 150 N -3.56 0.00 -2.97 -0.61 -0.00 -1.26 -3.40 119.36 107.56 1s80 n ILE 150 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.75 1s80 n ILE 150 Cb 0.53 -1.29 0.00 0.00 -0.00 0.00 0.00 39.64 38.88 1s80 n ILE 150 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1s80 s PHE 152 N 0.95 -0.60 -0.19 1.39 2.99 -1.26 -4.70 117.98 116.57 1s80 s PHE 152 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 56.93 56.91 1s80 s PHE 152 Cb 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 43.02 43.11 1s80 s PHE 152 CO 0.00 -0.38 0.72 0.34 -0.00 0.00 0.00 175.22 175.90 1s80 s ASP 153 N 2.37 6.80 -0.85 1.36 2.15 0.06 -3.73 116.67 124.84 1s80 s ASP 153 Ca 0.20 0.98 -0.03 0.00 0.43 0.00 0.00 52.55 54.12 1s80 s ASP 153 Cb 0.00 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1s80 s ASP 153 CO -0.18 -0.33 0.65 1.41 -0.17 0.00 0.00 175.17 176.54 1s80 n HIS 154 N 5.17 -2.23 0.01 -5.34 8.25 -1.26 -2.32 115.22 117.50 1s80 n HIS 154 Ca 0.01 0.84 0.01 0.00 -0.26 0.00 0.00 57.72 58.32 1s80 n HIS 154 Cb 0.49 -3.16 0.04 0.00 1.12 0.00 0.00 29.99 28.49 1s80 n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s80 n ALA 155 N -2.66 0.79 -1.68 -1.41 0.00 -1.24 -3.61 120.51 110.69 1s80 n ALA 155 Ca -0.21 0.01 -0.49 0.00 0.00 0.00 0.00 53.44 52.75 1s80 n ALA 155 Cb 0.63 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 1s80 n ALA 155 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1s80 n THR 156 N -1.46 0.58 0.00 0.00 5.66 -1.26 -2.01 114.28 115.79 1s80 n THR 156 Ca -0.00 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1s80 n THR 156 Cb 0.11 -1.87 0.00 0.00 -1.55 0.00 0.00 70.33 67.03 1s80 n THR 156 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1s80 n GLY 157 N 4.45 0.35 3.74 1.09 0.00 -0.65 -2.09 105.19 112.08 1s80 n GLY 157 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1s80 n GLY 157 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s80 s ILE 158 N -2.00 3.25 -0.04 -0.61 1.01 -0.85 -4.20 121.20 117.76 1s80 s ILE 158 Ca 0.00 1.07 0.02 0.00 0.00 0.00 0.00 60.65 61.74 1s80 s ILE 158 Cb 0.00 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1s80 s ILE 158 CO 0.00 0.18 -0.07 -0.69 0.00 0.00 0.00 174.94 174.36 1s80 s VAL 159 N -0.16 0.70 -0.08 2.92 1.01 -0.63 -1.43 120.40 122.74 1s80 s VAL 159 Ca 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1s80 s VAL 159 Cb -0.36 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1s80 s VAL 159 CO 0.40 0.25 -0.02 -0.69 0.00 0.00 0.00 175.10 175.04 1s80 s VAL 160 N 0.70 0.52 0.63 2.92 1.01 0.82 -0.88 120.40 126.12 1s80 s VAL 160 Ca -0.11 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1s80 s VAL 160 Cb -0.14 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.65 1s80 s VAL 160 CO 0.01 0.28 0.92 -0.83 0.00 0.00 0.00 175.10 175.47 1s80 s GLY 161 N 1.81 1.69 0.54 4.51 0.00 -1.02 -1.68 107.32 113.18 1s80 s GLY 161 Ca 0.03 -0.97 0.27 0.00 0.00 0.00 0.00 44.72 44.05 1s80 s GLY 161 CO -0.05 -0.63 1.98 -2.09 0.00 0.00 0.00 173.10 172.30 1s80 h GLU 162 N -0.30 0.00 -0.02 2.90 4.81 -1.91 -1.16 114.58 118.90 1s80 h GLU 162 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1s80 h GLU 162 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1s80 h GLU 162 CO 0.58 0.00 0.00 2.41 -0.73 0.00 0.00 179.01 181.27 1s80 n THR 163 N -4.30 0.00 -1.57 0.32 -1.04 -1.26 -3.09 114.28 103.34 1s80 n THR 163 Ca 0.11 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 1s80 n THR 163 Cb 0.65 1.31 0.07 0.00 -1.82 0.00 0.00 70.33 70.54 1s80 n THR 163 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1s80 s SER 164 N -1.23 4.67 -0.05 8.00 0.01 -0.44 -4.60 113.70 120.06 1s80 s SER 164 Ca 0.17 2.11 -0.01 0.00 1.31 0.00 0.00 55.95 59.54 1s80 s SER 164 Cb 0.12 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1s80 s SER 164 CO 0.19 -1.93 -0.00 -0.69 0.41 0.00 0.00 173.24 171.21 1s80 s VAL 165 N -2.28 0.30 -0.16 3.43 1.01 -0.81 -2.30 120.40 119.59 1s80 s VAL 165 Ca 0.69 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.78 1s80 s VAL 165 Cb -0.23 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1s80 s VAL 165 CO 0.44 0.22 -0.19 -0.63 0.00 0.00 0.00 175.10 174.94 1s80 s ILE 166 N 1.55 2.26 0.65 2.22 1.01 0.31 -0.44 121.20 128.75 1s80 s ILE 166 Ca -0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1s80 s ILE 166 Cb -0.13 -1.94 0.13 0.00 0.01 0.00 0.00 42.46 40.54 1s80 s ILE 166 CO -0.03 0.53 0.89 -0.62 0.00 0.00 0.00 174.94 175.71 1s80 n GLU 167 N 4.30 -0.12 -1.07 2.79 1.02 -0.49 -0.08 120.64 126.98 1s80 n GLU 167 Ca -0.20 -2.28 -0.33 0.00 -0.02 0.00 0.00 57.16 54.33 1s80 n GLU 167 Cb 0.51 -0.63 0.13 0.00 -0.02 0.00 0.00 31.44 31.43 1s80 n GLU 167 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1s80 s ASN 168 N -4.57 3.51 -1.01 1.62 0.01 -1.26 -3.63 114.94 109.61 1s80 s ASN 168 Ca 0.58 2.36 0.00 0.00 -0.71 0.00 0.00 52.86 55.09 1s80 s ASN 168 Cb -0.03 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1s80 s ASN 168 CO 0.39 -2.72 0.00 0.47 -1.51 0.00 0.00 177.10 173.72 1s80 n ASP 169 N -3.38 -5.43 -4.80 -1.22 8.00 -0.58 -2.17 116.55 106.96 1s80 n ASP 169 Ca 0.13 0.24 -0.35 0.00 0.71 0.00 0.00 54.79 55.53 1s80 n ASP 169 Cb 0.51 -3.77 -0.05 0.00 -0.02 0.00 0.00 41.12 37.78 1s80 n ASP 169 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s80 s VAL 170 N -1.93 4.09 -0.07 2.53 1.01 -1.24 -3.67 120.40 121.11 1s80 s VAL 170 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.42 1s80 s VAL 170 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1s80 s VAL 170 CO 0.00 -0.17 -0.14 -0.44 0.00 0.00 0.00 175.10 174.35 1s80 s SER 171 N -1.93 1.98 -0.08 3.32 0.01 0.65 -4.34 113.70 113.32 1s80 s SER 171 Ca 0.61 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.54 1s80 s SER 171 Cb -0.15 -0.91 0.02 0.00 0.21 0.00 0.00 66.02 65.19 1s80 s SER 171 CO 0.19 0.05 -0.10 -0.63 0.41 0.00 0.00 173.24 173.16 1s80 s ILE 172 N 0.60 1.06 0.65 1.44 1.01 -1.26 -0.25 121.20 124.46 1s80 s ILE 172 Ca -0.15 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1s80 s ILE 172 Cb -0.16 -1.01 0.07 0.00 0.01 0.00 0.00 42.46 41.38 1s80 s ILE 172 CO 0.05 0.35 0.92 -0.76 0.00 0.00 0.00 174.94 175.49 1s80 s LEU 173 N 0.97 3.05 0.50 2.97 2.01 -0.83 -0.76 118.68 126.59 1s80 s LEU 173 Ca -0.09 0.01 -0.20 0.00 0.01 0.00 0.00 54.13 53.86 1s80 s LEU 173 Cb -0.15 -2.64 -0.11 0.00 0.01 0.00 0.00 46.19 43.30 1s80 s LEU 173 CO 0.00 -1.53 0.54 0.00 1.01 0.00 0.00 176.35 176.37 1s80 n GLN 174 N -2.68 0.58 -0.99 1.70 0.00 -0.98 -3.43 117.38 111.57 1s80 n GLN 174 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 57.00 57.32 1s80 n GLN 174 Cb 0.60 -1.62 0.00 0.00 0.00 0.00 0.00 30.24 29.22 1s80 n GLN 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s80 n GLY 175 N 1.77 0.38 3.74 2.61 0.00 -0.89 -0.99 105.19 111.81 1s80 n GLY 175 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1s80 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s80 s VAL 176 N -1.80 4.74 -0.08 1.61 1.01 -1.22 -4.03 120.40 120.62 1s80 s VAL 176 Ca 0.00 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.67 1s80 s VAL 176 Cb 0.00 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1s80 s VAL 176 CO 0.00 0.35 -0.16 -0.89 0.00 0.00 0.00 175.10 174.39 1s80 s THR 177 N 0.04 2.84 -0.41 3.92 2.01 -0.75 -1.60 115.64 121.68 1s80 s THR 177 Ca 0.39 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 1s80 s THR 177 Cb -0.21 -2.13 0.11 0.00 0.01 0.00 0.00 72.50 70.29 1s80 s THR 177 CO 0.23 0.56 0.18 -0.76 -0.69 0.00 0.00 174.62 174.14 1s80 s LEU 178 N -0.18 5.04 0.00 4.42 1.43 -0.05 -0.98 118.68 128.36 1s80 s LEU 178 Ca -0.01 -2.21 0.00 0.00 -1.03 0.00 0.00 54.13 50.89 1s80 s LEU 178 Cb -0.13 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1s80 s LEU 178 CO 0.03 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.76 1s80 n GLY 179 N 4.30 2.71 0.00 -3.19 0.00 0.22 -2.42 105.19 106.81 1s80 n GLY 179 Ca 0.01 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1s80 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s80 n GLY 180 N -0.15 1.00 3.92 -0.02 0.00 -1.19 -4.71 105.19 104.05 1s80 n GLY 180 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 1s80 n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s80 s THR 181 N 0.00 5.16 -0.69 2.61 2.01 -1.26 -4.38 115.64 119.09 1s80 s THR 181 Ca 0.00 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1s80 s THR 181 Cb 0.00 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1s80 s THR 181 CO 0.00 -0.19 0.66 0.61 -0.69 0.00 0.00 174.62 175.01 1s80 n GLY 182 N -0.67 -0.21 0.00 4.40 0.00 -1.26 -3.47 105.19 103.98 1s80 n GLY 182 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1s80 n GLY 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s80 n LYS 183 N -1.16 0.00 -0.55 1.61 5.02 -1.26 -5.10 118.16 116.72 1s80 n LYS 183 Ca 0.00 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 1s80 n LYS 183 Cb 0.17 -0.32 0.08 0.00 -0.02 0.00 0.00 35.03 34.94 1s80 n LYS 183 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s80 n GLU 184 N -1.74 -0.97 -4.21 1.97 1.02 -1.23 -5.13 120.64 110.36 1s80 n GLU 184 Ca 0.00 -0.68 -0.15 0.00 -0.02 0.00 0.00 57.16 56.31 1s80 n GLU 184 Cb 0.00 -0.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.81 1s80 n GLU 184 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1s80 s SER 185 N -2.65 0.71 -0.80 1.62 0.01 -1.26 -5.05 113.70 106.28 1s80 s SER 185 Ca 0.26 -1.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.02 1s80 s SER 185 Cb -0.01 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1s80 s SER 185 CO 0.19 -0.97 0.73 0.61 0.41 0.00 0.00 173.24 174.20 1s80 n GLY 186 N -0.42 -1.23 0.80 3.44 0.00 -1.26 -4.69 105.19 101.83 1s80 n GLY 186 Ca 0.04 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1s80 n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s80 n ASP 187 N -2.05 -1.07 -0.40 1.61 4.64 -1.26 -5.05 116.55 112.97 1s80 n ASP 187 Ca -0.03 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.43 1s80 n ASP 187 Cb 0.53 -0.54 0.03 0.00 -1.04 0.00 0.00 41.12 40.11 1s80 n ASP 187 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1s80 n ARG 188 N -0.43 0.91 -4.37 -0.67 3.00 -1.26 -4.56 116.66 109.28 1s80 n ARG 188 Ca 0.00 -1.03 -0.26 0.00 -0.01 0.00 0.00 57.85 56.54 1s80 n ARG 188 Cb 0.17 -1.19 -0.13 0.00 0.00 0.00 0.00 32.46 31.31 1s80 n ARG 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1s80 s HIS 189 N -1.04 2.02 0.84 -1.55 3.76 -1.26 -1.22 115.29 116.84 1s80 s HIS 189 Ca 0.12 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.48 1s80 s HIS 189 Cb 0.09 -1.11 -0.05 0.00 1.11 0.00 0.00 32.58 32.62 1s80 s HIS 189 CO 0.17 0.25 0.12 -2.30 -0.85 0.00 0.00 174.74 172.13 1s80 n PRO 190 N 1.08 0.01 -3.87 8.40 -0.02 -0.69 -4.14 135.00 135.77 1s80 n PRO 190 Ca -0.19 0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.03 1s80 n PRO 190 Cb 0.53 -1.57 -0.15 0.00 -0.02 0.00 0.00 33.50 32.29 1s80 n PRO 190 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1s80 s LYS 191 N -2.71 1.21 -0.45 -0.52 -0.14 -0.52 -1.93 119.74 114.67 1s80 s LYS 191 Ca 0.56 -1.19 -0.16 0.00 -1.36 0.00 0.00 55.97 53.82 1s80 s LYS 191 Cb -0.28 -2.49 0.05 0.00 -1.68 0.00 0.00 37.83 33.43 1s80 s LYS 191 CO 0.68 -0.82 0.40 0.08 -0.76 0.00 0.00 175.35 174.93 1s80 s VAL 192 N 1.39 5.18 1.00 3.17 1.01 0.41 -0.67 120.40 131.89 1s80 s VAL 192 Ca 0.04 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1s80 s VAL 192 Cb -0.18 -4.08 0.20 0.00 0.00 0.00 0.00 36.38 32.32 1s80 s VAL 192 CO -0.13 -0.51 1.20 -0.13 0.00 0.00 0.00 175.10 175.53 1s80 s ARG 193 N 1.83 0.35 0.58 2.72 1.81 -0.29 -1.40 118.95 124.56 1s80 s ARG 193 Ca 0.07 -0.08 -0.18 0.00 -1.72 0.00 0.00 55.73 53.81 1s80 s ARG 193 Cb -0.21 -1.78 -0.04 0.00 -0.45 0.00 0.00 34.95 32.47 1s80 s ARG 193 CO 0.09 -2.66 1.15 -1.83 -0.68 0.00 0.00 175.30 171.37 1s80 s GLU 194 N -5.56 3.12 0.00 3.54 -1.05 -1.26 -3.52 118.70 113.97 1s80 s GLU 194 Ca 0.69 1.63 0.00 0.00 -0.15 0.00 0.00 54.97 57.14 1s80 s GLU 194 Cb -0.09 -1.97 0.00 0.00 -0.44 0.00 0.00 34.13 31.63 1s80 s GLU 194 CO 0.54 -1.04 0.00 0.41 0.95 0.00 0.00 175.26 176.12 1s80 n GLY 195 N 0.13 0.83 0.00 -3.83 0.00 -0.92 -1.09 105.19 100.31 1s80 n GLY 195 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1s80 n GLY 195 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s80 n VAL 196 N -2.24 0.00 -3.17 1.61 0.31 -1.23 -4.14 118.33 109.46 1s80 n VAL 196 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1s80 n VAL 196 Cb 0.01 -1.23 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 1s80 n VAL 196 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1s80 s ILE 198 N 0.00 -0.09 0.75 2.52 1.01 0.65 -0.25 121.20 125.79 1s80 s ILE 198 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1s80 s ILE 198 Cb 0.00 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.52 1s80 s ILE 198 CO 0.00 0.00 1.12 -0.83 0.00 0.00 0.00 174.94 175.23 1s80 s GLY 199 N 2.54 1.90 0.22 6.18 0.00 -0.29 -1.96 107.32 115.91 1s80 s GLY 199 Ca -0.04 0.47 -0.32 0.00 0.00 0.00 0.00 44.72 44.83 1s80 s GLY 199 CO -0.12 0.84 1.32 0.00 0.00 0.00 0.00 173.10 175.14 1s80 n ALA 200 N -3.20 0.44 -0.50 3.20 0.00 -1.26 -2.29 120.51 116.89 1s80 n ALA 200 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1s80 n ALA 200 Cb 0.52 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1s80 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s80 n GLY 201 N 2.11 1.49 3.74 0.00 0.00 -0.16 -0.62 105.19 111.74 1s80 n GLY 201 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1s80 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s80 s ALA 202 N -3.32 3.43 -0.28 4.61 0.00 -0.97 -4.11 121.76 121.13 1s80 s ALA 202 Ca 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1s80 s ALA 202 Cb 0.00 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1s80 s ALA 202 CO 0.00 -0.37 -0.00 0.15 0.00 0.00 0.00 175.76 175.54 1s80 s LYS 203 N -0.12 2.74 -0.25 0.00 3.01 0.70 -1.81 119.74 124.01 1s80 s LYS 203 Ca 0.53 -1.06 -0.07 0.00 -1.01 0.00 0.00 55.97 54.36 1s80 s LYS 203 Cb -0.32 -3.16 -0.02 0.00 -1.01 0.00 0.00 37.83 33.32 1s80 s LYS 203 CO 0.36 -0.50 0.06 0.42 0.51 0.00 0.00 175.35 176.20 1s80 s ILE 204 N 1.34 4.16 -0.07 2.17 1.01 -0.15 -0.73 121.20 128.93 1s80 s ILE 204 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1s80 s ILE 204 Cb -0.18 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.34 1s80 s ILE 204 CO -0.01 0.33 -0.15 -0.76 0.00 0.00 0.00 174.94 174.34 1s80 s LEU 205 N 1.59 1.76 0.00 2.97 1.43 -0.76 0.72 118.68 126.39 1s80 s LEU 205 Ca 0.06 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1s80 s LEU 205 Cb -0.15 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.09 1s80 s LEU 205 CO 0.03 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1s80 n GLY 206 N 3.73 2.44 3.58 -3.19 0.00 -1.23 -4.56 105.19 105.96 1s80 n GLY 206 Ca -0.22 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 1s80 n GLY 206 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s80 s ASN 207 N 0.00 3.80 0.02 1.61 3.84 -0.36 -1.71 114.94 122.15 1s80 s ASN 207 Ca 0.00 -0.88 -0.01 0.00 0.21 0.00 0.00 52.86 52.18 1s80 s ASN 207 Cb 0.00 -2.59 -0.02 0.00 -0.55 0.00 0.00 41.25 38.09 1s80 s ASN 207 CO 0.00 -4.30 -0.02 0.27 -2.79 0.00 0.00 177.10 170.27 1s80 s ILE 208 N 15.54 0.13 -0.07 -5.21 -4.36 -1.26 -4.91 121.20 121.05 1s80 s ILE 208 Ca 0.81 -1.04 -0.23 0.00 -0.26 0.00 0.00 60.65 59.93 1s80 s ILE 208 Cb -0.06 -0.49 -0.04 0.00 1.25 0.00 0.00 42.46 43.12 1s80 s ILE 208 CO 0.15 -0.57 0.67 -1.61 0.24 0.00 0.00 174.94 173.81 1s80 s GLU 209 N -1.88 4.42 -0.35 0.37 0.41 -1.26 -1.44 118.70 118.96 1s80 s GLU 209 Ca -0.12 0.82 -0.09 0.00 -0.41 0.00 0.00 54.97 55.17 1s80 s GLU 209 Cb -0.07 -3.44 0.03 0.00 -1.78 0.00 0.00 34.13 28.87 1s80 s GLU 209 CO -0.02 0.10 0.16 0.08 -0.49 0.00 0.00 175.26 175.08 1s80 s VAL 210 N 0.69 4.26 0.75 2.63 1.01 0.15 -1.49 120.40 128.40 1s80 s VAL 210 Ca 0.36 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1s80 s VAL 210 Cb -0.17 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1s80 s VAL 210 CO 0.17 -0.17 1.11 -0.83 0.00 0.00 0.00 175.10 175.38 1s80 s GLY 211 N 1.50 1.87 0.39 4.51 0.00 0.21 -1.13 107.32 114.67 1s80 s GLY 211 Ca 0.01 0.42 -0.26 0.00 0.00 0.00 0.00 44.72 44.89 1s80 s GLY 211 CO 0.05 0.78 1.25 0.58 0.00 0.00 0.00 173.10 175.76 1s80 n LYS 212 N -3.18 1.93 -1.88 2.90 2.85 -1.26 -2.10 118.16 117.42 1s80 n LYS 212 Ca 0.10 0.68 -0.19 0.00 -1.05 0.00 0.00 58.31 57.85 1s80 n LYS 212 Cb 0.52 -2.32 -0.05 0.00 -0.65 0.00 0.00 35.03 32.53 1s80 n LYS 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1s80 n TYR 213 N -0.03 -0.48 -2.56 5.58 4.02 -0.25 -1.46 117.16 121.98 1s80 n TYR 213 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.60 1s80 n TYR 213 Cb 0.38 -3.43 -0.04 0.00 -0.02 0.00 0.00 39.34 36.24 1s80 n TYR 213 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s80 s ALA 214 N -2.73 3.01 -0.15 -0.72 0.00 -0.89 -3.93 121.76 116.34 1s80 s ALA 214 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 51.96 52.55 1s80 s ALA 214 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1s80 s ALA 214 CO 0.00 -0.22 0.03 0.15 0.00 0.00 0.00 175.76 175.72 1s80 s LYS 215 N -2.79 3.70 -0.15 0.00 3.01 -0.45 -4.41 119.74 118.65 1s80 s LYS 215 Ca 0.61 -0.38 -0.04 0.00 -1.01 0.00 0.00 55.97 55.15 1s80 s LYS 215 Cb -0.19 -3.07 -0.03 0.00 -1.01 0.00 0.00 37.83 33.53 1s80 s LYS 215 CO 0.24 0.38 -0.03 0.42 0.51 0.00 0.00 175.35 176.87 1s80 s ILE 216 N 0.05 3.98 0.56 2.17 -1.09 -1.26 -1.33 121.20 124.28 1s80 s ILE 216 Ca 0.04 -0.33 -0.17 0.00 -2.23 0.00 0.00 60.65 57.96 1s80 s ILE 216 Cb -0.13 -2.74 -0.05 0.00 -1.58 0.00 0.00 42.46 37.96 1s80 s ILE 216 CO 0.01 0.50 1.05 -0.83 -1.23 0.00 0.00 174.94 174.44 1s80 s GLY 217 N 0.28 2.25 0.30 6.18 0.00 0.17 -1.14 107.32 115.35 1s80 s GLY 217 Ca -0.02 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 44.86 1s80 s GLY 217 CO 0.03 0.77 1.16 0.00 0.00 0.00 0.00 173.10 175.06 1s80 n ALA 218 N -1.67 0.44 -1.51 3.20 0.00 -1.26 -1.60 120.51 118.11 1s80 n ALA 218 Ca 0.09 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 1s80 n ALA 218 Cb 0.53 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 1s80 n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s80 n ASN 219 N 1.20 -3.90 -4.77 0.00 3.02 0.21 -4.76 115.26 106.27 1s80 n ASN 219 Ca 0.08 0.34 -0.38 0.00 -0.03 0.00 0.00 54.58 54.59 1s80 n ASN 219 Cb 0.33 -3.57 -0.02 0.00 -0.61 0.00 0.00 39.78 35.91 1s80 n ASN 219 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1s80 s SER 220 N -2.22 6.52 -0.36 6.41 0.01 -0.63 -4.63 113.70 118.80 1s80 s SER 220 Ca 0.00 2.38 -0.07 0.00 1.31 0.00 0.00 55.95 59.57 1s80 s SER 220 Cb 0.00 -2.62 0.05 0.00 0.21 0.00 0.00 66.02 63.66 1s80 s SER 220 CO 0.00 -0.68 0.14 -0.69 0.41 0.00 0.00 173.24 172.42 1s80 s VAL 221 N -1.39 3.86 -0.42 3.43 1.01 -1.04 -0.21 120.40 125.63 1s80 s VAL 221 Ca 0.57 -1.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1s80 s VAL 221 Cb -0.31 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.84 1s80 s VAL 221 CO 0.40 -0.28 0.37 -0.69 0.00 0.00 0.00 175.10 174.90 1s80 s VAL 222 N 1.39 5.17 -0.04 2.92 1.01 0.09 -0.67 120.40 130.27 1s80 s VAL 222 Ca -0.00 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1s80 s VAL 222 Cb -0.20 -3.99 -0.16 0.00 0.00 0.00 0.00 36.38 32.03 1s80 s VAL 222 CO 0.02 -0.37 0.18 0.18 0.00 0.00 0.00 175.10 175.12 1s80 n LEU 223 N 5.39 0.00 -4.61 3.92 4.77 -1.26 -1.82 117.00 123.39 1s80 n LEU 223 Ca -0.09 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.65 1s80 n LEU 223 Cb 0.47 0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1s80 n LEU 223 CO 0.44 0.07 -0.36 0.20 -1.33 0.00 0.00 177.39 176.40 1s80 s ASN 224 N -3.54 4.39 0.35 -1.43 -0.87 -1.26 -4.92 114.94 107.66 1s80 s ASN 224 Ca -0.04 -0.64 -0.26 0.00 -1.57 0.00 0.00 52.86 50.35 1s80 s ASN 224 Cb 0.06 -0.78 -0.13 0.00 -0.02 0.00 0.00 41.25 40.39 1s80 s ASN 224 CO 0.44 0.04 0.91 -2.65 -2.57 0.00 0.00 177.10 173.28 1s80 n PRO 225 N -0.53 1.16 -4.27 -0.60 -0.02 -1.26 -4.93 135.00 124.56 1s80 n PRO 225 Ca -0.08 0.41 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 1s80 n PRO 225 Cb 0.58 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 32.11 1s80 n PRO 225 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s80 s VAL 226 N -1.20 3.39 0.63 -1.45 1.01 -0.55 -5.01 120.40 117.22 1s80 s VAL 226 Ca 0.61 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1s80 s VAL 226 Cb -0.65 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1s80 s VAL 226 CO 0.58 0.47 1.10 -2.16 0.00 0.00 0.00 175.10 175.09 1s80 s PRO 227 N 0.91 2.99 0.14 2.72 0.04 -1.26 -0.62 135.00 139.91 1s80 s PRO 227 Ca -0.01 1.37 -0.33 0.00 0.04 0.00 0.00 61.00 62.07 1s80 s PRO 227 Cb -0.15 -1.98 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 1s80 s PRO 227 CO 0.01 -1.10 0.90 0.39 0.04 0.00 0.00 177.00 177.24 1s80 n GLU 228 N -2.19 0.44 -0.75 4.56 1.02 -1.26 -1.45 120.64 121.00 1s80 n GLU 228 Ca 0.10 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1s80 n GLU 228 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1s80 n GLU 228 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1s80 n TYR 229 N 0.89 0.00 -2.53 -0.32 4.02 -0.53 -4.91 117.16 113.79 1s80 n TYR 229 Ca 0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.74 1s80 n TYR 229 Cb 0.21 -1.31 -0.03 0.00 -0.02 0.00 0.00 39.34 38.18 1s80 n TYR 229 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s80 s ALA 230 N -1.50 3.14 -0.09 -0.72 0.00 -0.53 -4.78 121.76 117.28 1s80 s ALA 230 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 1s80 s ALA 230 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1s80 s ALA 230 CO 0.00 -0.17 0.12 0.99 0.00 0.00 0.00 175.76 176.71 1s80 s THR 231 N -2.55 5.28 -0.01 0.00 2.01 -1.26 -1.34 115.64 117.78 1s80 s THR 231 Ca 0.57 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1s80 s THR 231 Cb -0.10 -3.32 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1s80 s THR 231 CO 0.31 0.56 -0.09 0.00 -0.69 0.00 0.00 174.62 174.71 1s80 s ALA 232 N -1.06 0.79 -0.01 7.40 0.00 -0.44 -1.47 121.76 126.97 1s80 s ALA 232 Ca 0.17 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 1s80 s ALA 232 Cb -0.12 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.82 1s80 s ALA 232 CO 0.07 0.18 0.52 0.00 0.00 0.00 0.00 175.76 176.52 1s80 s ALA 233 N -0.11 -1.34 0.00 0.00 0.00 -0.80 0.42 121.76 119.92 1s80 s ALA 233 Ca 0.02 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1s80 s ALA 233 Cb -0.05 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1s80 s ALA 233 CO -0.00 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1s80 n GLY 234 N 0.87 1.47 2.89 0.00 0.00 -1.26 -0.34 105.19 108.83 1s80 n GLY 234 Ca -0.20 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 1s80 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s80 s VAL 235 N -2.06 1.15 0.88 1.61 0.11 -1.26 -2.37 120.40 118.45 1s80 s VAL 235 Ca 0.00 -0.73 -0.11 0.00 -2.93 0.00 0.00 61.98 58.21 1s80 s VAL 235 Cb 0.00 -1.36 0.12 0.00 -1.53 0.00 0.00 36.38 33.61 1s80 s VAL 235 CO 0.00 0.08 1.09 -2.16 -3.33 0.00 0.00 175.10 170.78 1s80 s PRO 236 N 1.60 1.40 0.35 1.54 0.04 -1.26 -4.99 135.00 133.68 1s80 s PRO 236 Ca -0.00 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 1s80 s PRO 236 Cb -0.16 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1s80 s PRO 236 CO -0.08 -2.17 1.11 0.00 0.04 0.00 0.00 177.00 175.91 1s80 s ALA 237 N -2.90 3.26 0.09 8.56 0.00 0.15 -4.87 121.76 126.05 1s80 s ALA 237 Ca 0.63 0.88 0.10 0.00 0.00 0.00 0.00 51.96 53.57 1s80 s ALA 237 Cb -0.18 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1s80 s ALA 237 CO 0.57 -0.30 -0.25 1.03 0.00 0.00 0.00 175.76 176.81 1s80 s ARG 238 N -1.97 1.44 -0.22 0.00 0.52 0.54 -4.87 118.95 114.40 1s80 s ARG 238 Ca 0.52 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 1s80 s ARG 238 Cb -0.29 -1.77 -0.01 0.00 0.52 0.00 0.00 34.95 33.40 1s80 s ARG 238 CO 0.37 0.43 1.36 0.42 0.02 0.00 0.00 175.30 177.90 1s80 s ILE 239 N -0.98 4.09 -2.00 1.52 -1.09 -1.26 -1.91 121.20 119.57 1s80 s ILE 239 Ca 0.11 1.28 0.26 0.00 -2.23 0.00 0.00 60.65 60.06 1s80 s ILE 239 Cb -0.10 -3.98 0.73 0.00 -1.58 0.00 0.00 42.46 37.53 1s80 s ILE 239 CO 0.04 -0.28 1.88 0.52 -1.23 0.00 0.00 174.94 175.87