#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1of5 h GLN 15 N 0.00 0.52 0.00 -3.83 4.20 -2.01 -2.36 115.11 111.63 1of5 h GLN 15 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1of5 h GLN 15 Cb 0.00 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1of5 h GLN 15 CO 0.00 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 1of5 n ALA 16 N -2.43 -0.02 -0.40 3.87 0.00 -1.26 -2.36 120.51 117.90 1of5 n ALA 16 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.58 1of5 n ALA 16 Cb 0.71 0.33 -0.07 0.00 0.00 0.00 0.00 19.45 20.43 1of5 n ALA 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1of5 n GLN 17 N -1.89 -0.38 -0.30 0.00 6.02 -0.90 -1.23 117.38 118.71 1of5 n GLN 17 Ca 0.00 1.47 0.05 0.00 -0.01 0.00 0.00 57.00 58.51 1of5 n GLN 17 Cb 0.00 -2.16 0.11 0.00 1.02 0.00 0.00 30.24 29.21 1of5 n GLN 17 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1of5 n ILE 18 N -5.25 -0.35 0.00 5.09 2.08 -1.00 -0.89 119.36 119.05 1of5 n ILE 18 Ca 0.04 1.89 0.00 0.00 0.56 0.00 0.00 62.75 65.24 1of5 n ILE 18 Cb 0.28 -2.62 0.00 0.00 -0.75 0.00 0.00 39.64 36.55 1of5 n ILE 18 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1of5 n THR 19 N -5.34 0.00 -0.66 1.39 -1.04 -0.36 -2.19 114.28 106.08 1of5 n THR 19 Ca 0.13 1.24 0.50 0.00 -2.04 0.00 0.00 64.05 63.89 1of5 n THR 19 Cb 0.41 -2.21 0.78 0.00 -1.82 0.00 0.00 70.33 67.49 1of5 n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1of5 n ALA 20 N -1.73 1.77 -0.01 2.41 0.00 -0.72 0.68 120.51 122.91 1of5 n ALA 20 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 53.44 54.00 1of5 n ALA 20 Cb 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.25 1of5 n ALA 20 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1of5 h THR 21 N 0.00 1.25 -1.00 0.00 2.02 -0.98 -2.59 112.91 111.60 1of5 h THR 21 Ca 0.91 -1.48 0.06 0.00 0.77 0.00 0.00 66.41 66.67 1of5 h THR 21 Cb 3.55 2.16 -0.07 0.00 -1.74 0.00 0.00 68.15 72.05 1of5 h THR 21 CO -0.09 0.35 0.65 0.15 0.37 0.00 0.00 175.52 176.95 1of5 h PHE 22 N -0.80 1.21 -0.50 3.16 3.57 0.75 0.25 116.94 124.58 1of5 h PHE 22 Ca -0.01 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1of5 h PHE 22 Cb 0.63 -0.40 -0.09 0.00 2.79 0.00 0.00 35.95 38.88 1of5 h PHE 22 CO 0.14 0.64 -0.05 1.15 -2.23 0.00 0.00 178.31 177.96 1of5 h THR 23 N 1.20 0.56 -0.41 4.41 2.02 -0.45 0.52 112.91 120.75 1of5 h THR 23 Ca 0.43 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.56 1of5 h THR 23 Cb 0.13 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1of5 h THR 23 CO -0.16 0.01 0.17 0.11 0.37 0.00 0.00 175.52 176.02 1of5 h LYS 24 N 0.06 0.61 -0.58 6.66 1.57 -0.28 -1.99 116.57 122.62 1of5 h LYS 24 Ca 0.25 -0.11 0.12 0.00 -1.87 0.00 0.00 60.65 59.04 1of5 h LYS 24 Cb 0.38 -0.10 -0.10 0.00 0.08 0.00 0.00 32.23 32.49 1of5 h LYS 24 CO -0.46 0.56 -0.06 0.87 -0.57 0.00 0.00 179.45 179.79 1of5 h LYS 25 N 0.52 0.06 0.11 3.15 6.56 0.93 0.84 116.57 128.74 1of5 h LYS 25 Ca 0.14 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.73 1of5 h LYS 25 Cb 0.18 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.81 1of5 h LYS 25 CO -0.01 0.04 -0.14 0.82 -2.06 0.00 0.00 179.45 178.10 1of5 h ILE 26 N 0.07 0.68 -0.54 1.86 2.04 -0.69 -1.04 117.51 119.88 1of5 h ILE 26 Ca 0.29 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.19 1of5 h ILE 26 Cb 0.46 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1of5 h ILE 26 CO -0.54 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 177.91 1of5 h LEU 27 N -0.30 0.53 -0.40 1.44 3.38 -0.38 -1.39 115.31 118.19 1of5 h LEU 27 Ca 0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1of5 h LEU 27 Cb 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1of5 h LEU 27 CO -0.06 0.37 0.19 0.00 0.09 0.00 0.00 178.44 179.03 1of5 h ALA 28 N 1.68 0.50 -0.10 1.53 0.00 0.19 -2.62 119.26 120.44 1of5 h ALA 28 Ca 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1of5 h ALA 28 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1of5 h ALA 28 CO -0.06 -0.18 0.06 0.45 0.00 0.00 0.00 179.25 179.53 1of5 h HIS 29 N 0.39 0.13 -0.11 0.00 3.86 -0.30 -1.48 115.15 117.64 1of5 h HIS 29 Ca 0.18 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.42 1of5 h HIS 29 Cb 0.10 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1of5 h HIS 29 CO -0.11 0.11 0.23 -0.07 0.86 0.00 0.00 177.93 178.95 1of5 h LEU 30 N 0.11 0.00 0.00 2.43 3.38 -1.26 -0.51 115.31 119.47 1of5 h LEU 30 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1of5 h LEU 30 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1of5 h LEU 30 CO -0.01 0.00 -1.39 0.47 0.09 0.00 0.00 178.44 177.60 1of5 n ASP 31 N -3.33 0.74 -4.62 -0.43 8.00 -0.70 -4.65 116.55 111.56 1of5 n ASP 31 Ca 0.00 0.31 -0.43 0.00 0.71 0.00 0.00 54.79 55.38 1of5 n ASP 31 Cb 0.33 0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.84 1of5 n ASP 31 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1of5 s ASP 32 N -5.54 6.67 0.31 -2.24 -1.08 -0.20 -4.66 116.67 109.94 1of5 s ASP 32 Ca -0.03 0.99 0.15 0.00 -0.52 0.00 0.00 52.55 53.14 1of5 s ASP 32 Cb 0.09 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.45 1of5 s ASP 32 CO 0.81 -1.12 1.62 -0.65 0.52 0.00 0.00 175.17 176.35 1of5 h PRO 33 N 9.25 0.00 -5.92 4.34 0.11 -1.88 -3.45 132.00 134.45 1of5 h PRO 33 Ca -0.25 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.22 1of5 h PRO 33 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1of5 h PRO 33 CO 1.06 0.51 1.45 -3.47 -0.21 0.00 0.00 178.00 177.34 1of5 n ASP 34 N -3.54 2.11 -0.34 -2.05 2.03 -1.26 -4.72 116.55 108.78 1of5 n ASP 34 Ca -0.00 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1of5 n ASP 34 Cb 0.60 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1of5 n ASP 34 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1of5 n SER 35 N 10.37 0.09 -3.21 1.67 3.41 -1.26 -4.34 113.62 120.34 1of5 n SER 35 Ca 0.42 -0.25 -0.28 0.00 -0.26 0.00 0.00 58.87 58.49 1of5 n SER 35 Cb 0.25 -0.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 1of5 n SER 35 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1of5 n ASN 36 N 0.14 4.44 0.00 4.04 2.85 -1.26 -4.74 115.26 120.73 1of5 n ASN 36 Ca 0.00 -3.58 0.00 0.00 -0.11 0.00 0.00 54.58 50.89 1of5 n ASN 36 Cb 0.02 -0.67 0.00 0.00 1.24 0.00 0.00 39.78 40.38 1of5 n ASN 36 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1of5 n LEU 38 N 0.26 0.00 -0.18 1.20 7.94 -1.26 -4.74 117.00 120.23 1of5 n LEU 38 Ca 0.31 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 55.12 1of5 n LEU 38 Cb 0.39 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.35 1of5 n LEU 38 CO 0.39 0.00 0.86 0.00 -1.11 0.00 0.00 177.39 177.54 1of5 h ALA 39 N 0.00 0.66 0.00 1.96 0.00 -1.95 -2.32 119.26 117.62 1of5 h ALA 39 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1of5 h ALA 39 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1of5 h ALA 39 CO 0.00 0.39 0.00 -0.56 0.00 0.00 0.00 179.25 179.08 1of5 h GLN 40 N 0.70 0.00 -0.12 0.00 -0.00 -2.00 -2.90 115.11 110.79 1of5 h GLN 40 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.77 1of5 h GLN 40 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.87 1of5 h GLN 40 CO 0.01 0.00 -0.03 0.35 -0.00 0.00 0.00 178.83 179.16 1of5 h PHE 41 N 0.00 0.27 0.00 0.06 3.57 -1.82 -2.43 116.94 116.59 1of5 h PHE 41 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1of5 h PHE 41 Cb 0.63 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1of5 h PHE 41 CO 0.00 0.54 0.00 0.28 -2.23 0.00 0.00 178.31 176.90 1of5 h VAL 42 N -0.08 0.00 0.00 1.41 2.07 -1.26 -0.10 116.25 118.29 1of5 h VAL 42 Ca 0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1of5 h VAL 42 Cb 0.45 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1of5 h VAL 42 CO 0.01 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.27 1of5 n GLN 43 N -3.06 0.04 0.10 1.57 7.27 -0.92 -2.24 117.38 120.13 1of5 n GLN 43 Ca -0.02 0.14 0.13 0.00 0.07 0.00 0.00 57.00 57.32 1of5 n GLN 43 Cb 0.12 -1.50 0.37 0.00 2.41 0.00 0.00 30.24 31.64 1of5 n GLN 43 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1of5 n LEU 44 N -1.47 0.82 -4.69 1.69 4.77 -0.05 0.21 117.00 118.28 1of5 n LEU 44 Ca 0.06 0.53 -0.35 0.00 -0.03 0.00 0.00 56.01 56.21 1of5 n LEU 44 Cb 0.23 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1of5 n LEU 44 CO 0.19 -0.17 -0.29 -0.36 -1.33 0.00 0.00 177.39 175.43 1of5 s PHE 45 N -3.11 3.21 0.93 -1.77 0.40 -0.95 0.46 117.98 117.15 1of5 s PHE 45 Ca 0.10 0.18 -0.13 0.00 -0.60 0.00 0.00 56.93 56.48 1of5 s PHE 45 Cb 0.12 -1.85 0.20 0.00 0.51 0.00 0.00 43.02 42.00 1of5 s PHE 45 CO 0.62 0.43 1.27 0.54 0.70 0.00 0.00 175.22 178.78 1of5 s ASN 46 N -0.67 3.22 0.00 1.36 4.22 -1.22 -4.46 114.94 117.38 1of5 s ASN 46 Ca 0.11 0.07 -0.02 0.00 -2.14 0.00 0.00 52.86 50.88 1of5 s ASN 46 Cb -0.12 -0.13 -0.10 0.00 1.28 0.00 0.00 41.25 42.19 1of5 s ASN 46 CO 0.02 -2.65 2.58 -2.65 -2.04 0.00 0.00 177.10 172.36 1of5 n PRO 47 N -3.63 1.36 -3.13 3.55 -0.02 -1.26 -4.51 135.00 127.36 1of5 n PRO 47 Ca 0.16 -0.37 0.06 0.00 -2.02 0.00 0.00 63.50 61.33 1of5 n PRO 47 Cb 0.60 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1of5 n PRO 47 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1of5 s ASN 48 N 2.00 -0.15 0.13 2.55 2.47 -1.26 -5.18 114.94 115.51 1of5 s ASN 48 Ca 0.25 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.54 1of5 s ASN 48 Cb 0.12 1.05 -0.00 0.00 -1.45 0.00 0.00 41.25 40.97 1of5 s ASN 48 CO 0.00 -0.03 0.01 0.00 -3.72 0.00 0.00 177.10 173.36 1of5 s ARG 51 N -2.49 0.53 -0.02 0.00 0.52 -1.12 -4.92 118.95 111.46 1of5 s ARG 51 Ca 0.01 0.90 0.00 0.00 -0.52 0.00 0.00 55.73 56.13 1of5 s ARG 51 Cb 0.00 0.37 0.03 0.00 0.52 0.00 0.00 34.95 35.86 1of5 s ARG 51 CO 0.01 -0.65 0.02 0.42 0.02 0.00 0.00 175.30 175.13 1of5 s ILE 52 N 2.80 -0.03 -0.02 1.52 1.01 -1.18 -1.67 121.20 123.64 1of5 s ILE 52 Ca 0.19 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1of5 s ILE 52 Cb -0.15 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 1of5 s ILE 52 CO -0.20 0.09 -0.15 -0.63 0.00 0.00 0.00 174.94 174.05 1of5 s ILE 53 N 0.97 1.20 -0.23 2.92 1.01 0.34 -0.89 121.20 126.51 1of5 s ILE 53 Ca -0.08 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1of5 s ILE 53 Cb -0.12 -1.02 0.07 0.00 0.01 0.00 0.00 42.46 41.40 1of5 s ILE 53 CO -0.03 0.35 0.03 0.12 0.00 0.00 0.00 174.94 175.41 1of5 s PHE 54 N -0.17 1.45 -1.86 3.97 5.36 0.18 -1.42 117.98 125.50 1of5 s PHE 54 Ca 0.02 -1.24 0.00 0.00 -0.96 0.00 0.00 56.93 54.75 1of5 s PHE 54 Cb -0.08 -1.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.31 1of5 s PHE 54 CO 0.00 -0.71 0.00 0.09 -1.46 0.00 0.00 175.22 173.15 1of5 n ASN 55 N 4.93 -5.50 0.00 6.13 3.02 0.21 -1.04 115.26 123.01 1of5 n ASN 55 Ca -0.08 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1of5 n ASN 55 Cb 0.45 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1of5 n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1of5 n ALA 56 N -0.46 0.00 -2.87 5.41 0.00 -1.26 -5.01 120.51 116.32 1of5 n ALA 56 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 1of5 n ALA 56 Cb 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.99 1of5 n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1of5 s THR 57 N -2.12 4.65 0.67 0.00 2.01 -0.20 -5.06 115.64 115.57 1of5 s THR 57 Ca 0.00 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 1of5 s THR 57 Cb 0.00 -3.31 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 1of5 s THR 57 CO 0.00 0.14 1.07 -2.84 -0.69 0.00 0.00 174.62 172.30 1of5 s PRO 58 N 1.63 2.97 -0.19 4.92 0.02 -1.26 -0.64 135.00 142.46 1of5 s PRO 58 Ca 0.05 1.11 -0.08 0.00 0.02 0.00 0.00 61.00 62.10 1of5 s PRO 58 Cb -0.17 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 32.44 1of5 s PRO 58 CO 0.06 -1.08 0.42 -0.06 -0.33 0.00 0.00 177.00 176.02 1of5 s PHE 59 N -2.75 -0.71 -0.03 6.54 0.40 -0.07 -4.92 117.98 116.44 1of5 s PHE 59 Ca 0.61 1.43 0.12 0.00 -0.60 0.00 0.00 56.93 58.49 1of5 s PHE 59 Cb -0.16 0.29 -0.13 0.00 0.51 0.00 0.00 43.02 43.54 1of5 s PHE 59 CO 0.47 -0.42 1.12 0.00 0.70 0.00 0.00 175.22 177.10 1of5 h ALA 60 N 7.65 0.57 -3.25 5.36 0.00 -1.91 -3.12 119.26 124.55 1of5 h ALA 60 Ca -0.26 -0.88 -0.66 0.00 0.00 0.00 0.00 54.91 53.10 1of5 h ALA 60 Cb 1.15 0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.72 1of5 h ALA 60 CO 0.20 1.09 -0.78 -0.65 0.00 0.00 0.00 179.25 179.11 1of5 s GLN 61 N -2.79 3.30 0.56 0.00 -0.21 -1.26 -3.77 119.66 115.49 1of5 s GLN 61 Ca 0.00 -0.72 0.25 0.00 0.02 0.00 0.00 55.36 54.91 1of5 s GLN 61 Cb 0.09 -2.63 1.60 0.00 1.00 0.00 0.00 33.01 33.07 1of5 s GLN 61 CO 0.80 0.11 2.19 0.00 -2.12 0.00 0.00 175.29 176.28 1of5 h ALA 62 N 7.01 1.76 0.48 6.09 0.00 -1.91 -2.27 119.26 130.42 1of5 h ALA 62 Ca -0.29 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1of5 h ALA 62 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1of5 h ALA 62 CO 0.56 -0.07 -0.24 1.15 0.00 0.00 0.00 179.25 180.66 1of5 h THR 63 N 0.00 0.00 -0.60 0.00 2.02 -1.93 0.24 112.91 112.64 1of5 h THR 63 Ca 0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.32 1of5 h THR 63 Cb 0.10 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.40 1of5 h THR 63 CO -0.00 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 176.30 1of5 h VAL 64 N -0.65 0.36 0.31 3.16 2.07 -1.86 0.33 116.25 119.97 1of5 h VAL 64 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1of5 h VAL 64 Cb 0.50 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1of5 h VAL 64 CO 0.11 0.00 -0.33 0.15 0.02 0.00 0.00 177.57 177.52 1of5 h PHE 65 N -0.02 -0.92 -0.78 1.57 3.57 -1.33 0.79 116.94 119.82 1of5 h PHE 65 Ca 0.29 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.96 1of5 h PHE 65 Cb 0.46 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 1of5 h PHE 65 CO -0.51 -0.43 0.52 -0.07 -2.23 0.00 0.00 178.31 175.59 1of5 h LEU 66 N -0.64 0.33 0.41 0.59 3.38 0.04 0.31 115.31 119.73 1of5 h LEU 66 Ca -0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1of5 h LEU 66 Cb 0.56 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1of5 h LEU 66 CO -0.05 0.16 -0.20 -0.61 0.09 0.00 0.00 178.44 177.83 1of5 h GLN 67 N 0.35 -0.53 -0.80 1.13 5.75 0.30 0.12 115.11 121.43 1of5 h GLN 67 Ca 0.39 0.04 0.13 0.00 -0.15 0.00 0.00 58.65 59.05 1of5 h GLN 67 Cb 0.99 0.12 -0.09 0.00 1.07 0.00 0.00 27.48 29.58 1of5 h GLN 67 CO -0.11 -0.35 0.40 1.98 -2.65 0.00 0.00 178.83 178.10 1of5 h MET 68 N -0.57 0.59 0.52 1.69 4.05 0.18 0.18 114.93 121.57 1of5 h MET 68 Ca -0.06 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1of5 h MET 68 Cb 0.43 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1of5 h MET 68 CO 0.09 0.39 -0.25 2.35 0.23 0.00 0.00 176.91 179.72 1of5 h TRP 69 N 0.61 -0.65 -0.54 1.39 2.91 -0.01 1.57 115.95 121.22 1of5 h TRP 69 Ca 0.42 -0.02 0.12 0.00 1.13 0.00 0.00 58.89 60.54 1of5 h TRP 69 Cb 0.55 0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.38 1of5 h TRP 69 CO -0.11 -0.41 0.37 0.37 -1.03 0.00 0.00 178.44 177.64 1of5 h GLN 70 N -0.74 0.22 0.00 2.65 5.75 -0.83 0.11 115.11 122.29 1of5 h GLN 70 Ca -0.07 -0.01 -0.27 0.00 -0.15 0.00 0.00 58.65 58.15 1of5 h GLN 70 Cb 0.54 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1of5 h GLN 70 CO 0.12 0.15 -1.49 -0.97 -2.65 0.00 0.00 178.83 173.99 1of5 h ASN 71 N 0.23 0.00 0.00 -0.69 -0.00 -0.50 -3.43 115.58 111.18 1of5 h ASN 71 Ca 0.26 -0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.52 1of5 h ASN 71 Cb 0.70 -0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.02 1of5 h ASN 71 CO -0.05 1.00 -1.11 0.00 -0.00 0.00 0.00 177.43 177.27 1of5 n GLN 72 N -3.14 0.05 -0.60 6.67 1.13 0.54 -5.03 117.38 116.99 1of5 n GLN 72 Ca -0.12 0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.66 1of5 n GLN 72 Cb 1.02 -0.85 0.20 0.00 0.11 0.00 0.00 30.24 30.72 1of5 n GLN 72 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1of5 s VAL 73 N -2.04 2.01 0.30 5.09 1.01 0.35 -5.02 120.40 122.10 1of5 s VAL 73 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1of5 s VAL 73 Cb 0.01 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.44 1of5 s VAL 73 CO 0.04 -0.00 0.42 0.55 0.00 0.00 0.00 175.10 176.11 1of5 n VAL 74 N -4.53 0.00 -2.20 2.92 3.14 -1.26 -4.83 118.33 111.56 1of5 n VAL 74 Ca 0.09 -0.88 -0.41 0.00 -2.96 0.00 0.00 64.34 60.17 1of5 n VAL 74 Cb 0.53 -0.89 -0.03 0.00 -1.06 0.00 0.00 33.84 32.39 1of5 n VAL 74 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1of5 s GLN 75 N -3.42 4.37 0.27 1.45 -0.21 -1.26 -5.01 119.66 115.86 1of5 s GLN 75 Ca 0.30 2.07 0.08 0.00 0.02 0.00 0.00 55.36 57.83 1of5 s GLN 75 Cb -0.02 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.73 1of5 s GLN 75 CO 0.20 -0.30 -0.10 0.95 -2.12 0.00 0.00 175.29 173.92 1of5 s THR 76 N 0.31 1.83 -0.26 -0.19 -4.23 -1.26 -4.19 115.64 107.65 1of5 s THR 76 Ca 0.58 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1of5 s THR 76 Cb -0.37 -2.38 0.11 0.00 1.34 0.00 0.00 72.50 71.20 1of5 s THR 76 CO 0.37 -0.36 0.22 -1.58 -0.54 0.00 0.00 174.62 172.74 1of5 s GLN 77 N -3.67 0.24 0.00 3.99 0.74 -1.00 -4.70 119.66 115.26 1of5 s GLN 77 Ca 0.29 -0.13 -0.06 0.00 0.05 0.00 0.00 55.36 55.51 1of5 s GLN 77 Cb 0.02 -1.00 -0.05 0.00 1.10 0.00 0.00 33.01 33.09 1of5 s GLN 77 CO 0.12 -0.90 0.25 -1.01 -0.55 0.00 0.00 175.29 173.20 1of5 s HIS 78 N 2.28 3.57 -0.11 1.67 3.76 -1.26 -2.66 115.29 122.53 1of5 s HIS 78 Ca 0.08 0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 55.47 1of5 s HIS 78 Cb -0.15 -1.95 0.05 0.00 1.11 0.00 0.00 32.58 31.64 1of5 s HIS 78 CO -0.27 0.62 0.07 0.00 -0.85 0.00 0.00 174.74 174.31 1of5 s ALA 79 N -1.31 0.38 0.42 -1.40 0.00 -1.12 -4.99 121.76 113.74 1of5 s ALA 79 Ca 0.28 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.89 1of5 s ALA 79 Cb -0.13 -0.85 -0.11 0.00 0.00 0.00 0.00 23.12 22.04 1of5 s ALA 79 CO 0.17 -0.84 1.04 -0.11 0.00 0.00 0.00 175.76 176.02 1of5 n LEU 80 N 5.27 2.77 -0.77 0.00 7.94 -1.26 -3.08 117.00 127.87 1of5 n LEU 80 Ca -0.05 1.05 -0.01 0.00 -1.11 0.00 0.00 56.01 55.88 1of5 n LEU 80 Cb 0.49 -1.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 1of5 n LEU 80 CO 0.08 -1.37 0.25 0.35 -1.11 0.00 0.00 177.39 175.59 1of5 n THR 81 N -0.43 0.00 0.00 1.96 -2.24 0.27 -4.93 114.28 108.91 1of5 n THR 81 Ca 0.09 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1of5 n THR 81 Cb 0.39 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1of5 n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1of5 n GLY 82 N 0.07 3.28 2.81 3.38 0.00 -1.24 -4.85 105.19 108.64 1of5 n GLY 82 Ca -0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1of5 n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1of5 s VAL 83 N 0.00 -0.48 0.36 1.61 1.01 -1.26 -1.36 120.40 120.27 1of5 s VAL 83 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1of5 s VAL 83 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1of5 s VAL 83 CO 0.00 -0.38 0.29 -1.81 0.00 0.00 0.00 175.10 173.20 1of5 s ASP 84 N 2.43 5.13 -0.20 3.32 1.01 -0.85 -4.93 116.67 122.57 1of5 s ASP 84 Ca 0.10 -0.60 -0.31 0.00 0.71 0.00 0.00 52.55 52.44 1of5 s ASP 84 Cb -0.14 -0.84 0.15 0.00 1.01 0.00 0.00 42.92 43.11 1of5 s ASP 84 CO -0.30 -0.41 1.17 -0.72 0.21 0.00 0.00 175.17 175.12 1of5 s TYR 85 N -2.37 -0.19 -0.01 4.23 -0.85 -1.26 -0.39 117.35 116.52 1of5 s TYR 85 Ca 0.42 0.27 0.02 0.00 -0.52 0.00 0.00 57.07 57.26 1of5 s TYR 85 Cb -0.05 0.49 -0.00 0.00 0.38 0.00 0.00 41.96 42.78 1of5 s TYR 85 CO 0.26 -0.21 -0.06 -1.01 -1.52 0.00 0.00 175.55 173.01 1of5 s HIS 86 N -1.52 0.60 -0.33 -3.49 3.76 -0.66 -4.97 115.29 108.69 1of5 s HIS 86 Ca 0.05 -0.12 -0.12 0.00 -0.15 0.00 0.00 55.06 54.73 1of5 s HIS 86 Cb -0.01 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.27 1of5 s HIS 86 CO -0.04 -0.02 0.21 0.00 -0.85 0.00 0.00 174.74 174.04 1of5 s ALA 87 N -0.10 3.44 -0.31 -1.40 0.00 -1.26 -0.72 121.76 121.42 1of5 s ALA 87 Ca 0.02 -1.36 -0.23 0.00 0.00 0.00 0.00 51.96 50.39 1of5 s ALA 87 Cb -0.03 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 1of5 s ALA 87 CO -0.00 -0.92 0.76 0.42 0.00 0.00 0.00 175.76 176.02 1of5 s ILE 88 N 1.70 4.82 -0.33 0.00 1.01 -0.38 -4.97 121.20 123.05 1of5 s ILE 88 Ca 0.06 1.11 -0.36 0.00 0.00 0.00 0.00 60.65 61.46 1of5 s ILE 88 Cb -0.17 -4.12 -0.12 0.00 0.01 0.00 0.00 42.46 38.06 1of5 s ILE 88 CO 0.09 -0.24 2.14 -2.65 0.00 0.00 0.00 174.94 174.29 1of5 n PRO 89 N 6.16 1.12 0.00 2.79 -0.02 -1.26 -2.46 135.00 141.33 1of5 n PRO 89 Ca 0.03 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1of5 n PRO 89 Cb 0.48 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1of5 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1of5 n GLY 90 N 6.30 2.98 0.25 -1.23 0.00 -1.26 -4.81 105.19 107.42 1of5 n GLY 90 Ca 0.40 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1of5 n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1of5 h SER 91 N 0.00 0.39 0.00 1.61 4.64 -1.91 -3.45 113.55 114.83 1of5 h SER 91 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1of5 h SER 91 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1of5 h SER 91 CO 0.00 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 1of5 n GLY 92 N -1.29 0.76 3.41 -0.77 0.00 -1.17 -5.04 105.19 101.08 1of5 n GLY 92 Ca 0.10 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1of5 n GLY 92 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1of5 n THR 93 N -2.69 0.00 -4.18 2.61 -2.24 -1.26 -2.67 114.28 103.86 1of5 n THR 93 Ca 0.00 -1.37 -0.11 0.00 -2.27 0.00 0.00 64.05 60.30 1of5 n THR 93 Cb 0.11 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.25 1of5 n THR 93 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1of5 s LEU 94 N 0.00 1.61 -0.04 3.22 0.05 0.15 -1.25 118.68 122.43 1of5 s LEU 94 Ca 0.22 -1.27 0.02 0.00 0.05 0.00 0.00 54.13 53.15 1of5 s LEU 94 Cb -0.03 0.28 0.01 0.00 -2.05 0.00 0.00 46.19 44.40 1of5 s LEU 94 CO 0.16 -0.75 -0.07 -0.51 -0.55 0.00 0.00 176.35 174.63 1of5 s ILE 95 N -4.03 0.73 -0.08 1.48 2.07 0.10 -0.34 121.20 121.14 1of5 s ILE 95 Ca 0.29 -0.27 -0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1of5 s ILE 95 Cb 0.07 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 1of5 s ILE 95 CO 0.06 0.25 -0.04 0.00 -1.91 0.00 0.00 174.94 173.30 1of5 s ASN 97 N -0.83 5.20 0.21 0.00 2.47 0.48 -1.72 114.94 120.75 1of5 s ASN 97 Ca 0.13 -2.60 -0.00 0.00 0.42 0.00 0.00 52.86 50.80 1of5 s ASN 97 Cb -0.11 -1.84 -0.04 0.00 -1.45 0.00 0.00 41.25 37.81 1of5 s ASN 97 CO 0.02 -0.42 0.40 -0.69 -3.72 0.00 0.00 177.10 172.69 1of5 s VAL 98 N 0.31 5.20 -0.02 -5.21 1.01 0.31 -2.01 120.40 119.99 1of5 s VAL 98 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1of5 s VAL 98 Cb -0.21 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1of5 s VAL 98 CO -0.03 -0.20 0.01 0.20 0.00 0.00 0.00 175.10 175.07 1of5 s ASN 99 N -3.26 0.24 0.26 3.32 0.01 -0.47 -0.79 114.94 114.26 1of5 s ASN 99 Ca 0.38 -0.00 -0.02 0.00 -0.71 0.00 0.00 52.86 52.51 1of5 s ASN 99 Cb -0.11 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.40 1of5 s ASN 99 CO 0.29 -0.08 0.28 0.00 -1.51 0.00 0.00 177.10 176.09 1of5 s LYS 101 N -3.79 1.14 0.01 0.00 1.02 -1.18 -0.50 119.74 116.45 1of5 s LYS 101 Ca 0.35 -1.45 -0.13 0.00 0.02 0.00 0.00 55.97 54.76 1of5 s LYS 101 Cb 0.03 -0.86 0.02 0.00 -0.52 0.00 0.00 37.83 36.50 1of5 s LYS 101 CO 0.16 0.14 0.28 0.08 -0.92 0.00 0.00 175.35 175.09 1of5 s VAL 102 N -2.92 0.07 0.20 3.17 1.01 0.21 -2.78 120.40 119.37 1of5 s VAL 102 Ca 0.17 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.66 1of5 s VAL 102 Cb -0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1of5 s VAL 102 CO 0.03 -0.32 -0.19 -0.13 0.00 0.00 0.00 175.10 174.48 1of5 s ARG 103 N -1.76 1.44 0.00 2.72 0.52 -1.09 -0.54 118.95 120.23 1of5 s ARG 103 Ca -0.11 -1.55 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 1of5 s ARG 103 Cb -0.04 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.90 1of5 s ARG 103 CO 0.01 0.30 0.00 1.19 0.02 0.00 0.00 175.30 176.83 1of5 n PHE 104 N -0.03 0.00 -2.71 -0.53 3.01 -1.26 -2.38 117.46 113.56 1of5 n PHE 104 Ca -0.10 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.28 1of5 n PHE 104 Cb 0.58 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.15 1of5 n PHE 104 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1of5 n ASP 105 N -1.52 -2.10 -4.75 4.37 8.00 -1.26 -4.02 116.55 115.27 1of5 n ASP 105 Ca 0.00 -3.07 -0.40 0.00 0.71 0.00 0.00 54.79 52.03 1of5 n ASP 105 Cb 0.22 1.50 -0.05 0.00 -0.02 0.00 0.00 41.12 42.77 1of5 n ASP 105 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1of5 s TRP 141 N 0.23 3.70 0.00 1.24 0.23 -1.26 -5.15 118.94 117.93 1of5 s TRP 141 Ca 0.21 1.36 0.00 0.00 -2.03 0.00 0.00 56.10 55.64 1of5 s TRP 141 Cb 0.33 -2.75 0.00 0.00 0.03 0.00 0.00 33.47 31.08 1of5 s TRP 141 CO -0.07 0.27 0.00 0.41 0.96 0.00 0.00 176.95 178.52 1of5 n GLY 142 N 2.50 1.60 3.19 0.98 0.00 -1.26 -5.10 105.19 107.11 1of5 n GLY 142 Ca -0.04 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 1of5 n GLY 142 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1of5 n PRO 143 N -0.02 -3.48 -4.07 1.61 -0.02 -1.26 -4.69 135.00 123.07 1of5 n PRO 143 Ca 0.00 -1.02 -0.36 0.00 -2.02 0.00 0.00 63.50 60.10 1of5 n PRO 143 Cb 0.00 -1.79 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 1of5 n PRO 143 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1of5 s TYR 144 N -2.15 3.39 0.21 6.00 4.12 -1.26 -4.18 117.35 123.48 1of5 s TYR 144 Ca 0.57 0.35 0.10 0.00 0.02 0.00 0.00 57.07 58.11 1of5 s TYR 144 Cb -0.12 -1.90 -0.04 0.00 -1.52 0.00 0.00 41.96 38.37 1of5 s TYR 144 CO 0.51 0.56 -0.13 -0.06 0.02 0.00 0.00 175.55 176.46 1of5 s PHE 145 N -0.79 2.52 -0.18 2.71 0.40 0.29 -3.70 117.98 119.24 1of5 s PHE 145 Ca 0.13 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 56.06 1of5 s PHE 145 Cb -0.12 -1.20 -0.05 0.00 0.51 0.00 0.00 43.02 42.16 1of5 s PHE 145 CO 0.03 0.55 0.25 0.20 0.70 0.00 0.00 175.22 176.94 1of5 s GLY 146 N -2.99 2.13 -0.06 4.36 0.00 0.28 -0.62 107.32 110.43 1of5 s GLY 146 Ca 0.25 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.46 1of5 s GLY 146 CO 0.14 0.38 -0.22 -0.42 0.00 0.00 0.00 173.10 172.99 1of5 s ILE 147 N 0.56 1.81 -0.11 0.90 1.09 0.35 0.27 121.20 126.06 1of5 s ILE 147 Ca 0.14 -0.91 -0.01 0.00 -1.10 0.00 0.00 60.65 58.76 1of5 s ILE 147 Cb -0.13 -1.54 -0.02 0.00 -1.06 0.00 0.00 42.46 39.70 1of5 s ILE 147 CO 0.03 0.51 -0.08 -0.55 -0.10 0.00 0.00 174.94 174.74 1of5 s SER 148 N 0.04 4.49 -0.07 3.58 0.15 0.39 -1.28 113.70 120.99 1of5 s SER 148 Ca -0.07 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 1of5 s SER 148 Cb -0.14 -1.49 0.04 0.00 -1.71 0.00 0.00 66.02 62.73 1of5 s SER 148 CO 0.04 0.24 0.13 -0.22 1.20 0.00 0.00 173.24 174.63 1of5 s LEU 149 N -0.07 0.12 0.01 3.45 2.96 0.03 -1.27 118.68 123.91 1of5 s LEU 149 Ca 0.00 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1of5 s LEU 149 Cb -0.13 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.68 1of5 s LEU 149 CO 0.03 -0.23 0.06 -1.10 -1.32 0.00 0.00 176.35 173.79 1of5 s GLN 150 N 2.07 2.96 -0.03 1.98 1.11 -0.19 0.11 119.66 127.67 1of5 s GLN 150 Ca 0.02 -0.55 -0.03 0.00 0.01 0.00 0.00 55.36 54.81 1of5 s GLN 150 Cb -0.12 -2.79 0.01 0.00 -1.01 0.00 0.00 33.01 29.10 1of5 s GLN 150 CO -0.05 0.63 0.09 -0.51 0.01 0.00 0.00 175.29 175.46 1of5 s LEU 151 N -1.75 1.60 -0.22 2.90 1.43 -0.70 -1.13 118.68 120.81 1of5 s LEU 151 Ca 0.22 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 1of5 s LEU 151 Cb -0.12 0.30 -0.02 0.00 0.03 0.00 0.00 46.19 46.38 1of5 s LEU 151 CO 0.14 -0.04 0.00 -0.63 0.23 0.00 0.00 176.35 176.05 1of5 s ILE 152 N 0.13 3.85 0.10 -0.59 1.01 -1.02 -0.38 121.20 124.29 1of5 s ILE 152 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1of5 s ILE 152 Cb -0.02 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 1of5 s ILE 152 CO -0.00 0.41 -0.15 -0.63 0.00 0.00 0.00 174.94 174.57 1of5 s ILE 153 N 1.28 1.28 0.31 2.92 1.01 0.54 -1.74 121.20 126.81 1of5 s ILE 153 Ca 0.04 -1.53 -0.27 0.00 0.00 0.00 0.00 60.65 58.89 1of5 s ILE 153 Cb -0.15 -1.35 -0.10 0.00 0.01 0.00 0.00 42.46 40.88 1of5 s ILE 153 CO 0.01 -0.30 0.94 -1.81 0.00 0.00 0.00 174.94 173.78 1of5 s ASP 154 N -2.10 7.39 0.17 3.58 1.11 -0.70 0.31 116.67 126.44 1of5 s ASP 154 Ca 0.04 1.86 -0.17 0.00 0.18 0.00 0.00 52.55 54.46 1of5 s ASP 154 Cb -0.08 -2.58 0.11 0.00 1.07 0.00 0.00 42.92 41.44 1of5 s ASP 154 CO 0.03 -0.03 1.66 0.44 1.18 0.00 0.00 175.17 178.45 1of5 h ASP 155 N 3.33 -0.41 -0.42 0.27 3.32 -1.83 -2.81 116.42 117.87 1of5 h ASP 155 Ca -0.46 0.13 0.17 0.00 0.02 0.00 0.00 57.03 56.88 1of5 h ASP 155 Cb 1.19 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.95 1of5 h ASP 155 CO 0.65 -0.15 0.24 0.54 -1.72 0.00 0.00 179.24 178.81 1of5 n ARG 156 N -5.32 -0.02 -0.35 3.56 1.74 -1.26 0.22 116.66 115.23 1of5 n ARG 156 Ca 0.03 0.51 0.03 0.00 -0.77 0.00 0.00 57.85 57.65 1of5 n ARG 156 Cb 0.23 -0.94 0.18 0.00 -1.02 0.00 0.00 32.46 30.91 1of5 n ARG 156 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1of5 h ILE 157 N 0.00 1.02 -0.09 0.55 -0.00 -1.17 0.29 117.51 118.12 1of5 h ILE 157 Ca 0.33 -0.36 0.03 0.00 -0.00 0.00 0.00 64.86 64.85 1of5 h ILE 157 Cb 0.92 -0.12 -0.00 0.00 -0.00 0.00 0.00 36.82 37.61 1of5 h ILE 157 CO -0.26 0.19 0.08 -0.26 -0.00 0.00 0.00 178.15 177.91 1of5 h PHE 158 N 1.05 0.00 -0.96 0.16 0.05 0.24 0.59 116.94 118.08 1of5 h PHE 158 Ca 0.43 0.00 -0.61 0.00 3.82 0.00 0.00 57.97 61.61 1of5 h PHE 158 Cb 0.26 0.00 -0.30 0.00 2.00 0.00 0.00 35.95 37.91 1of5 h PHE 158 CO -0.01 0.00 0.68 -2.13 -0.18 0.00 0.00 178.31 176.66 1of5 n ARG 159 N -4.05 2.61 -1.09 1.51 3.00 0.84 -4.90 116.66 114.57 1of5 n ARG 159 Ca -0.01 -3.27 -0.07 0.00 -0.00 0.00 0.00 57.85 54.50 1of5 n ARG 159 Cb 0.19 -2.24 -0.03 0.00 0.00 0.00 0.00 32.46 30.37 1of5 n ARG 159 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1of5 n ASN 160 N -0.97 -4.68 -4.60 6.15 2.85 0.21 -4.96 115.26 109.26 1of5 n ASN 160 Ca 0.60 0.18 -0.41 0.00 -0.11 0.00 0.00 54.58 54.83 1of5 n ASN 160 Cb 0.95 -3.39 -0.07 0.00 1.24 0.00 0.00 39.78 38.51 1of5 n ASN 160 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1of5 s ASP 161 N -1.96 6.48 0.00 1.20 3.68 -0.04 -4.91 116.67 121.12 1of5 s ASP 161 Ca 0.00 0.40 0.12 0.00 2.13 0.00 0.00 52.55 55.20 1of5 s ASP 161 Cb 0.00 -2.33 0.01 0.00 -1.45 0.00 0.00 42.92 39.16 1of5 s ASP 161 CO 0.00 -0.48 0.73 0.49 0.13 0.00 0.00 175.17 176.04 1of5 n PHE 162 N 5.87 0.00 -2.15 -5.34 3.01 -1.26 -2.26 117.46 115.33 1of5 n PHE 162 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 1of5 n PHE 162 Cb 0.49 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.93 1of5 n PHE 162 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1of5 s ASN 163 N -1.43 5.88 -0.68 4.37 0.01 -1.26 -4.14 114.94 117.69 1of5 s ASN 163 Ca 0.10 0.81 -0.06 0.00 -0.71 0.00 0.00 52.86 53.00 1of5 s ASN 163 Cb 0.10 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 39.23 1of5 s ASN 163 CO 0.27 -1.80 0.66 0.61 -1.51 0.00 0.00 177.10 175.33 1of5 n GLY 164 N 5.38 -1.17 0.04 0.66 0.00 0.57 -4.91 105.19 105.77 1of5 n GLY 164 Ca 0.19 0.70 0.01 0.00 0.00 0.00 0.00 46.02 46.92 1of5 n GLY 164 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1of5 n VAL 165 N -1.55 0.00 -3.30 1.61 0.24 0.17 -4.16 118.33 111.34 1of5 n VAL 165 Ca -0.05 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 1of5 n VAL 165 Cb 0.54 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.85 1of5 n VAL 165 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1of5 s ILE 166 N -0.96 5.08 -0.02 1.34 1.01 0.65 -1.72 121.20 126.58 1of5 s ILE 166 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1of5 s ILE 166 Cb 0.02 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1of5 s ILE 166 CO 0.10 -0.15 0.02 -1.54 0.00 0.00 0.00 174.94 173.36 1of5 n SER 167 N 5.59 1.44 -4.07 3.58 3.41 -0.71 -3.46 113.62 119.40 1of5 n SER 167 Ca -0.06 -0.36 -0.28 0.00 -0.26 0.00 0.00 58.87 57.91 1of5 n SER 167 Cb 0.49 1.01 -0.17 0.00 -0.26 0.00 0.00 64.21 65.28 1of5 n SER 167 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1of5 s GLY 168 N -1.34 1.01 -0.38 5.00 0.00 -1.13 -2.80 107.32 107.68 1of5 s GLY 168 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.08 1of5 s GLY 168 CO 0.02 0.10 0.32 -0.12 0.00 0.00 0.00 173.10 173.42 1of5 s PHE 169 N 0.78 0.43 -0.46 1.90 5.36 -0.67 -2.45 117.98 122.88 1of5 s PHE 169 Ca -0.11 -1.58 -0.08 0.00 -0.96 0.00 0.00 56.93 54.20 1of5 s PHE 169 Cb -0.16 -0.71 0.11 0.00 -0.34 0.00 0.00 43.02 41.93 1of5 s PHE 169 CO 0.02 -0.89 0.32 1.21 -1.46 0.00 0.00 175.22 174.41 1of5 s ASN 170 N 0.84 5.63 -0.27 6.13 2.47 -0.28 -0.51 114.94 128.95 1of5 s ASN 170 Ca 0.23 -1.89 -0.06 0.00 0.42 0.00 0.00 52.86 51.56 1of5 s ASN 170 Cb -0.12 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1of5 s ASN 170 CO -0.07 -0.66 0.05 -0.47 -3.72 0.00 0.00 177.10 172.24 1of5 s TYR 171 N 1.33 3.11 -0.06 0.43 5.04 -0.51 -1.02 117.35 125.67 1of5 s TYR 171 Ca 0.06 -0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 53.72 1of5 s TYR 171 Cb -0.25 -2.21 0.03 0.00 0.35 0.00 0.00 41.96 39.87 1of5 s TYR 171 CO -0.01 -0.55 0.14 -0.80 -1.34 0.00 0.00 175.55 172.98 1of5 s ASN 172 N 1.50 -0.12 -0.17 4.32 0.01 -0.40 -0.62 114.94 119.47 1of5 s ASN 172 Ca 0.03 0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 52.17 1of5 s ASN 172 Cb -0.16 0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.70 1of5 s ASN 172 CO 0.01 -0.11 1.17 -0.32 -1.51 0.00 0.00 177.10 176.35 1of5 s MET 173 N 0.74 4.27 -0.13 -0.60 -2.45 -1.26 -0.46 119.30 119.40 1of5 s MET 173 Ca -0.06 1.56 0.13 0.00 -1.25 0.00 0.00 55.69 56.07 1of5 s MET 173 Cb -0.07 -3.69 -0.24 0.00 1.25 0.00 0.00 34.83 32.08 1of5 s MET 173 CO -0.04 -0.63 0.33 1.33 1.05 0.00 0.00 175.02 177.07 1of5 n VAL 174 N 5.21 1.52 -3.77 10.11 0.24 0.14 -4.93 118.33 126.84 1of5 n VAL 174 Ca 0.13 -0.80 -0.10 0.00 -2.04 0.00 0.00 64.34 61.53 1of5 n VAL 174 Cb 0.46 -0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 31.92 1of5 n VAL 174 CO 0.00 0.00 0.00 -0.72 -2.14 0.00 0.00 176.83 173.97 1of5 s TYR 175 N -2.54 0.02 0.25 6.34 -0.85 -1.04 -4.96 117.35 114.57 1of5 s TYR 175 Ca -0.10 -0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.08 1of5 s TYR 175 Cb 0.07 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1of5 s TYR 175 CO 0.81 -0.71 0.12 -1.59 -1.52 0.00 0.00 175.55 172.66 1of5 s LYS 176 N -3.87 1.38 -0.41 -3.49 -2.85 -1.26 0.10 119.74 109.34 1of5 s LYS 176 Ca 0.08 -1.75 -0.37 0.00 -1.00 0.00 0.00 55.97 52.93 1of5 s LYS 176 Cb 0.02 -0.05 -0.16 0.00 -2.06 0.00 0.00 37.83 35.59 1of5 s LYS 176 CO -0.07 -0.36 1.61 -2.30 0.10 0.00 0.00 175.35 174.33 1of5 n PRO 177 N -0.42 0.00 0.00 1.78 -0.02 -1.24 -4.93 135.00 130.16 1of5 n PRO 177 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1of5 n PRO 177 Cb 0.66 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 1of5 n PRO 177 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87