#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i50 s VAL 6 N 0.00 3.56 -0.35 0.52 0.11 -1.26 -5.04 120.40 117.94 2i50 s VAL 6 Ca 0.00 -0.99 -0.29 0.00 -2.93 0.00 0.00 61.98 57.77 2i50 s VAL 6 Cb 0.00 -3.22 0.02 0.00 -1.53 0.00 0.00 36.38 31.65 2i50 s VAL 6 CO 0.00 -0.08 1.06 0.00 -3.33 0.00 0.00 175.10 172.75 2i50 n ARG 8 N 7.01 3.08 -0.47 0.00 3.00 -1.26 -4.42 116.66 123.60 2i50 n ARG 8 Ca 0.11 -2.75 0.07 0.00 -0.00 0.00 0.00 57.85 55.28 2i50 n ARG 8 Cb 0.48 -1.79 0.27 0.00 0.00 0.00 0.00 32.46 31.41 2i50 n ARG 8 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2i50 n HIS 9 N -0.24 1.12 0.28 -0.14 8.25 -1.26 -3.79 115.22 119.44 2i50 n HIS 9 Ca 0.20 -0.44 0.12 0.00 -0.26 0.00 0.00 57.72 57.35 2i50 n HIS 9 Cb 0.85 -0.20 0.80 0.00 1.12 0.00 0.00 29.99 32.56 2i50 n HIS 9 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2i50 h ILE 10 N 3.01 0.68 0.05 1.59 1.08 -1.94 0.44 117.51 122.43 2i50 h ILE 10 Ca 0.00 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 64.25 2i50 h ILE 10 Cb 1.15 1.06 0.01 0.00 -3.07 0.00 0.00 36.82 35.98 2i50 h ILE 10 CO 0.18 0.03 -0.46 0.03 -0.69 0.00 0.00 178.15 177.24 2i50 h ARG 11 N 0.00 0.22 0.00 2.37 3.08 -1.82 -3.29 114.38 114.94 2i50 h ARG 11 Ca -0.00 -0.31 -0.26 0.00 0.07 0.00 0.00 59.98 59.48 2i50 h ARG 11 Cb 0.06 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2i50 h ARG 11 CO 0.00 1.09 -1.45 0.87 -1.07 0.00 0.00 179.97 179.41 2i50 h LYS 12 N -0.50 0.01 -0.27 0.04 1.57 -1.50 -3.36 116.57 112.55 2i50 h LYS 12 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2i50 h LYS 12 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2i50 h LYS 12 CO 0.09 0.69 0.00 0.41 -0.57 0.00 0.00 179.45 180.07 2i50 n GLY 13 N 1.49 2.55 2.78 3.86 0.00 0.14 -4.32 105.19 111.69 2i50 n GLY 13 Ca -0.11 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 2i50 n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i50 s LEU 14 N -0.98 1.27 -0.53 0.99 0.20 -1.24 -1.21 118.68 117.17 2i50 s LEU 14 Ca 0.18 -0.71 0.04 0.00 0.69 0.00 0.00 54.13 54.33 2i50 s LEU 14 Cb 0.10 -0.67 0.14 0.00 -0.43 0.00 0.00 46.19 45.33 2i50 s LEU 14 CO 0.13 -0.26 0.30 -0.70 -0.29 0.00 0.00 176.35 175.52 2i50 s GLU 15 N 1.80 1.89 0.19 1.98 2.56 -0.92 -4.63 118.70 121.57 2i50 s GLU 15 Ca -0.00 -2.60 -0.13 0.00 0.00 0.00 0.00 54.97 52.24 2i50 s GLU 15 Cb -0.16 -3.08 0.19 0.00 2.00 0.00 0.00 34.13 33.08 2i50 s GLU 15 CO -0.07 -1.16 1.73 1.96 -0.56 0.00 0.00 175.26 177.15 2i50 h GLN 16 N 6.34 0.26 -0.22 4.30 4.20 -1.89 -1.11 115.11 126.99 2i50 h GLN 16 Ca -0.02 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 2i50 h GLN 16 Cb 0.88 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2i50 h GLN 16 CO 0.64 0.17 -0.36 0.78 -0.67 0.00 0.00 178.83 179.39 2i50 h GLY 17 N 0.27 0.52 1.83 3.46 0.00 -1.97 -2.71 103.07 104.47 2i50 h GLY 17 Ca 0.25 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 2i50 h GLY 17 CO -0.30 0.44 -0.75 -0.57 0.00 0.00 0.00 176.54 175.36 2i50 h ASN 18 N 0.40 0.20 -0.40 0.19 -1.24 -1.77 -3.25 115.58 109.72 2i50 h ASN 18 Ca 0.04 -0.14 0.07 0.00 0.71 0.00 0.00 56.30 56.98 2i50 h ASN 18 Cb 0.82 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.75 2i50 h ASN 18 CO 0.07 0.87 0.03 -0.07 -1.29 0.00 0.00 177.43 177.04 2i50 h LEU 19 N 0.10 -0.10 -1.08 0.34 -0.00 -0.88 -1.24 115.31 112.45 2i50 h LEU 19 Ca -0.02 0.08 0.07 0.00 -0.00 0.00 0.00 57.88 58.01 2i50 h LEU 19 Cb 1.32 0.14 -0.07 0.00 -0.00 0.00 0.00 40.66 42.05 2i50 h LEU 19 CO 0.11 -0.01 0.62 0.11 -0.00 0.00 0.00 178.44 179.27 2i50 h LYS 20 N 0.14 1.05 0.00 1.13 6.56 -1.58 -0.71 116.57 123.16 2i50 h LYS 20 Ca 0.20 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.57 2i50 h LYS 20 Cb 0.26 -0.24 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 2i50 h LYS 20 CO -0.30 0.69 -0.74 0.87 -2.06 0.00 0.00 179.45 177.91 2i50 h LYS 21 N 1.08 0.00 0.15 3.15 1.79 -1.40 -2.86 116.57 118.48 2i50 h LYS 21 Ca 0.42 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.59 2i50 h LYS 21 Cb 0.23 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.90 2i50 h LYS 21 CO -0.17 0.74 -1.28 0.00 -1.08 0.00 0.00 179.45 177.66 2i50 h ALA 22 N 1.26 0.01 0.00 3.86 0.00 -0.36 -3.19 119.26 120.83 2i50 h ALA 22 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2i50 h ALA 22 Cb 1.32 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2i50 h ALA 22 CO 0.10 0.76 0.00 1.28 0.00 0.00 0.00 179.25 181.39 2i50 n LEU 23 N -3.72 0.00 -0.18 0.00 4.77 -0.36 -1.62 117.00 115.90 2i50 n LEU 23 Ca -0.13 0.44 -0.06 0.00 -0.03 0.00 0.00 56.01 56.24 2i50 n LEU 23 Cb 1.01 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.69 2i50 n LEU 23 CO 0.57 -0.13 1.07 0.58 -1.33 0.00 0.00 177.39 178.16 2i50 h VAL 24 N 0.00 1.08 -0.35 4.08 2.07 -1.49 -3.26 116.25 118.39 2i50 h VAL 24 Ca 0.00 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2i50 h VAL 24 Cb 0.32 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2i50 h VAL 24 CO 0.00 0.12 0.02 0.59 0.02 0.00 0.00 177.57 178.32 2i50 n ASN 25 N -4.77 4.05 -4.83 0.57 3.02 -0.64 -4.99 115.26 107.67 2i50 n ASN 25 Ca 0.03 -3.10 -0.35 0.00 -0.03 0.00 0.00 54.58 51.13 2i50 n ASN 25 Cb 0.06 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 2i50 n ASN 25 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2i50 s VAL 26 N -2.88 4.72 -0.70 2.41 -7.23 -1.16 -5.01 120.40 110.55 2i50 s VAL 26 Ca 0.45 1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 61.54 2i50 s VAL 26 Cb 0.37 -3.78 0.18 0.00 0.56 0.00 0.00 36.38 33.71 2i50 s VAL 26 CO 0.09 0.19 0.60 -1.83 -0.31 0.00 0.00 175.10 173.84 2i50 s GLU 27 N -2.06 3.12 -0.05 4.82 1.03 -1.26 -5.05 118.70 119.25 2i50 s GLU 27 Ca 0.41 -2.33 -0.36 0.00 0.03 0.00 0.00 54.97 52.73 2i50 s GLU 27 Cb -0.15 -4.16 -0.14 0.00 -0.80 0.00 0.00 34.13 28.87 2i50 s GLU 27 CO 0.20 -1.25 1.70 0.91 -1.33 0.00 0.00 175.26 175.49 2i50 n TRP 28 N 4.07 2.14 -1.23 4.83 7.02 -1.26 -1.21 117.44 131.81 2i50 n TRP 28 Ca 0.07 0.27 -0.08 0.00 -1.02 0.00 0.00 57.50 56.74 2i50 n TRP 28 Cb 0.43 -2.54 -0.03 0.00 -2.42 0.00 0.00 31.31 26.74 2i50 n TRP 28 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2i50 n ASN 29 N 5.03 -4.04 -4.01 -0.99 2.85 -1.26 -4.98 115.26 107.86 2i50 n ASN 29 Ca 0.22 0.20 -0.31 0.00 -0.11 0.00 0.00 54.58 54.57 2i50 n ASN 29 Cb 0.24 -2.24 -0.15 0.00 1.24 0.00 0.00 39.78 38.87 2i50 n ASN 29 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2i50 s ILE 30 N -2.27 1.99 -0.50 -1.44 1.01 -0.35 -4.94 121.20 114.71 2i50 s ILE 30 Ca 0.00 -1.75 -0.29 0.00 0.00 0.00 0.00 60.65 58.61 2i50 s ILE 30 Cb 0.00 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 2i50 s ILE 30 CO 0.00 -0.25 2.38 0.00 0.00 0.00 0.00 174.94 177.07 2i50 h GLN 32 N 15.94 0.61 0.00 0.00 4.20 -1.55 0.16 115.11 134.46 2i50 h GLN 32 Ca -0.24 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2i50 h GLN 32 Cb 1.28 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 2i50 h GLN 32 CO 1.13 0.40 -0.07 0.22 -0.67 0.00 0.00 178.83 179.85 2i50 h ASP 33 N 0.62 0.00 -0.03 1.46 1.82 -1.85 -0.12 116.42 118.33 2i50 h ASP 33 Ca 0.30 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.84 2i50 h ASP 33 Cb 0.36 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.38 2i50 h ASP 33 CO -0.10 0.07 -0.37 0.00 -1.61 0.00 0.00 179.24 177.23 2i50 h LYS 35 N -0.27 0.00 -0.01 0.00 2.10 -1.17 -2.50 116.57 114.73 2i50 h LYS 35 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2i50 h LYS 35 Cb 1.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2i50 h LYS 35 CO 0.07 0.81 -0.11 0.25 -2.00 0.00 0.00 179.45 178.48 2i50 n THR 36 N -3.51 0.00 -2.53 0.07 -2.24 -0.10 -4.62 114.28 101.36 2i50 n THR 36 Ca -0.00 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 2i50 n THR 36 Cb 0.80 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 2i50 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i50 s ASP 37 N -2.24 6.55 -0.15 3.42 -1.08 -0.94 -4.67 116.67 117.55 2i50 s ASP 37 Ca 0.32 -1.89 0.09 0.00 -0.52 0.00 0.00 52.55 50.55 2i50 s ASP 37 Cb 0.20 -2.57 0.52 0.00 -1.46 0.00 0.00 42.92 39.61 2i50 s ASP 37 CO 0.42 -1.46 1.30 0.59 0.52 0.00 0.00 175.17 176.54 2i50 n ASN 38 N 9.08 4.03 0.03 -0.34 3.02 -1.26 -3.90 115.26 125.91 2i50 n ASN 38 Ca 0.41 -2.59 -0.19 0.00 -0.03 0.00 0.00 54.58 52.18 2i50 n ASN 38 Cb 0.48 -0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 38.91 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2i50 h LYS 39 N 2.55 0.35 -7.22 3.52 1.57 -1.98 -3.44 116.57 111.92 2i50 h LYS 39 Ca 0.00 -0.47 -0.48 0.00 -1.87 0.00 0.00 60.65 57.83 2i50 h LYS 39 Cb 1.45 0.16 0.06 0.00 0.08 0.00 0.00 32.23 33.97 2i50 h LYS 39 CO 0.32 1.17 0.25 0.14 -0.57 0.00 0.00 179.45 180.76 2i50 s VAL 40 N -2.81 3.72 -0.09 0.50 -7.23 -1.25 -5.01 120.40 108.22 2i50 s VAL 40 Ca -0.13 0.19 -0.18 0.00 -1.81 0.00 0.00 61.98 60.05 2i50 s VAL 40 Cb 0.02 -3.50 -0.28 0.00 0.56 0.00 0.00 36.38 33.18 2i50 s VAL 40 CO 0.82 -0.56 0.63 0.11 -0.31 0.00 0.00 175.10 175.80 2i50 h LYS 41 N -0.30 0.24 -4.78 4.82 1.57 -1.87 -3.46 116.57 112.79 2i50 h LYS 41 Ca -0.45 -0.42 -0.29 0.00 -1.87 0.00 0.00 60.65 57.62 2i50 h LYS 41 Cb 1.25 0.15 -0.19 0.00 0.08 0.00 0.00 32.23 33.52 2i50 h LYS 41 CO 0.62 1.20 -0.73 -0.51 -0.57 0.00 0.00 179.45 179.45 2i50 s ASP 42 N -6.99 1.17 -0.11 0.86 1.11 -1.26 -5.06 116.67 106.38 2i50 s ASP 42 Ca -0.19 -0.71 -0.13 0.00 0.18 0.00 0.00 52.55 51.71 2i50 s ASP 42 Cb 0.03 0.03 -0.27 0.00 1.07 0.00 0.00 42.92 43.79 2i50 s ASP 42 CO 0.77 -0.25 0.47 0.11 1.18 0.00 0.00 175.17 177.46 2i50 h LYS 43 N 3.96 0.25 -1.71 8.23 6.56 -1.89 -3.44 116.57 128.52 2i50 h LYS 43 Ca -0.37 -0.42 -0.15 0.00 -1.06 0.00 0.00 60.65 58.65 2i50 h LYS 43 Cb 1.19 0.16 -0.28 0.00 -0.57 0.00 0.00 32.23 32.73 2i50 h LYS 43 CO 0.48 1.20 -0.49 0.00 -2.06 0.00 0.00 179.45 178.58 2i50 s ALA 44 N -2.51 -1.27 -0.74 3.86 0.00 -1.26 -5.08 121.76 114.77 2i50 s ALA 44 Ca -0.21 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 2i50 s ALA 44 Cb 0.05 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2i50 s ALA 44 CO 0.76 -1.52 1.63 -1.21 0.00 0.00 0.00 175.76 175.43 2i50 s GLU 45 N 2.57 2.91 -0.76 0.00 2.02 -1.26 -4.85 118.70 119.34 2i50 s GLU 45 Ca 0.12 0.00 -0.32 0.00 0.02 0.00 0.00 54.97 54.79 2i50 s GLU 45 Cb -0.14 -4.53 -0.19 0.00 0.10 0.00 0.00 34.13 29.37 2i50 s GLU 45 CO -0.23 -2.57 2.29 0.39 0.02 0.00 0.00 175.26 175.15 2i50 n GLU 46 N 9.17 0.00 0.09 1.61 1.02 -1.26 -4.64 120.64 126.64 2i50 n GLU 46 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2i50 n GLU 46 Cb 0.50 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2i50 n GLU 46 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2i50 n GLU 47 N 7.43 0.00 -3.09 3.49 2.13 -1.26 -4.99 120.64 124.34 2i50 n GLU 47 Ca 0.57 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 58.23 2i50 n GLU 47 Cb 0.01 -0.12 -0.05 0.00 0.27 0.00 0.00 31.44 31.55 2i50 n GLU 47 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2i50 s THR 48 N -2.00 -0.33 0.72 6.31 2.01 -1.26 -5.13 115.64 115.96 2i50 s THR 48 Ca 0.00 -1.78 -0.11 0.00 0.31 0.00 0.00 61.69 60.11 2i50 s THR 48 Cb 0.00 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2i50 s THR 48 CO 0.00 -0.62 1.07 -1.61 -0.69 0.00 0.00 174.62 172.77 2i50 s GLU 49 N 0.52 2.71 0.00 4.92 2.02 -1.26 -5.07 118.70 122.54 2i50 s GLU 49 Ca 0.31 0.92 0.00 0.00 0.02 0.00 0.00 54.97 56.22 2i50 s GLU 49 Cb 0.01 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.27 2i50 s GLU 49 CO -0.12 -1.25 0.00 -0.85 0.02 0.00 0.00 175.26 173.06 2i50 n GLU 50 N -3.22 1.10 -3.81 1.61 0.00 -1.26 -5.05 120.64 110.01 2i50 n GLU 50 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.90 2i50 n GLU 50 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.87 2i50 n GLU 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2i50 s LYS 51 N -1.59 2.47 0.52 3.44 0.00 -1.26 -5.09 119.74 118.23 2i50 s LYS 51 Ca 0.00 -2.78 -0.18 0.00 0.00 0.00 0.00 55.97 53.01 2i50 s LYS 51 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 37.83 34.17 2i50 s LYS 51 CO 0.00 -1.18 1.02 -1.25 0.00 0.00 0.00 175.35 173.93 2i50 s PRO 52 N -0.52 3.76 0.07 1.78 0.04 -1.26 -4.85 135.00 134.02 2i50 s PRO 52 Ca 0.20 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 62.25 2i50 s PRO 52 Cb -0.18 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2i50 s PRO 52 CO -0.05 -0.44 0.48 -1.54 0.04 0.00 0.00 177.00 175.48 2i50 s SER 53 N -2.56 6.85 -0.28 6.66 1.04 -1.26 -4.96 113.70 119.19 2i50 s SER 53 Ca 0.63 1.03 -0.05 0.00 0.48 0.00 0.00 55.95 58.05 2i50 s SER 53 Cb -0.13 -2.27 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2i50 s SER 53 CO 0.27 0.24 0.02 -0.69 0.98 0.00 0.00 173.24 174.06 2i50 s VAL 54 N -1.23 3.55 -0.17 5.02 1.01 -1.26 -0.44 120.40 126.88 2i50 s VAL 54 Ca 0.30 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2i50 s VAL 54 Cb -0.16 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 2i50 s VAL 54 CO 0.17 0.13 -0.02 0.26 0.00 0.00 0.00 175.10 175.64 2i50 s TRP 55 N 1.43 3.06 -0.25 5.22 0.52 0.98 -0.35 118.94 129.56 2i50 s TRP 55 Ca 0.02 -0.27 -0.09 0.00 0.02 0.00 0.00 56.10 55.77 2i50 s TRP 55 Cb -0.17 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 2i50 s TRP 55 CO -0.00 -0.04 0.13 -1.17 0.02 0.00 0.00 176.95 175.88 2i50 s LEU 56 N 0.48 3.80 -0.14 2.99 2.96 0.74 -0.45 118.68 129.05 2i50 s LEU 56 Ca -0.02 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.54 2i50 s LEU 56 Cb -0.14 -2.03 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 2i50 s LEU 56 CO 0.02 -0.01 2.12 0.00 -1.32 0.00 0.00 176.35 177.16 2i50 n LEU 58 N 10.26 0.00 -0.06 0.00 4.77 0.22 0.48 117.00 132.67 2i50 n LEU 58 Ca 0.26 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.33 2i50 n LEU 58 Cb 0.44 -0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 2i50 n LEU 58 CO 0.67 -0.11 -0.47 0.50 -1.33 0.00 0.00 177.39 176.64 2i50 h LYS 59 N 0.00 0.09 0.00 3.23 1.63 -1.25 -2.43 116.57 117.83 2i50 h LYS 59 Ca 0.00 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2i50 h LYS 59 Cb 0.18 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2i50 h LYS 59 CO 0.00 1.07 0.00 0.00 -3.45 0.00 0.00 179.45 177.07 2i50 n GLY 61 N -0.14 1.07 3.70 0.00 0.00 0.18 -4.73 105.19 105.27 2i50 n GLY 61 Ca 0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2i50 n GLY 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2i50 s HIS 62 N -2.33 3.54 -0.25 1.61 5.04 -1.25 -4.76 115.29 116.89 2i50 s HIS 62 Ca 0.00 1.42 -0.13 0.00 -1.54 0.00 0.00 55.06 54.81 2i50 s HIS 62 Cb 0.00 -3.01 -0.04 0.00 0.04 0.00 0.00 32.58 29.57 2i50 s HIS 62 CO 0.00 -0.09 0.26 -0.65 -2.34 0.00 0.00 174.74 171.93 2i50 s GLN 63 N 1.46 4.05 0.06 2.88 -0.21 -1.26 0.05 119.66 126.69 2i50 s GLN 63 Ca 0.43 -0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.73 2i50 s GLN 63 Cb -0.18 -3.59 -0.03 0.00 1.00 0.00 0.00 33.01 30.21 2i50 s GLN 63 CO 0.19 -0.09 -0.10 0.20 -2.12 0.00 0.00 175.29 173.37 2i50 s GLY 64 N 1.35 0.67 0.03 3.09 0.00 0.40 -1.42 107.32 111.44 2i50 s GLY 64 Ca 0.11 -0.92 -0.26 0.00 0.00 0.00 0.00 44.72 43.65 2i50 s GLY 64 CO 0.08 -0.97 0.80 0.00 0.00 0.00 0.00 173.10 173.00 2i50 n GLY 66 N 2.54 -0.72 0.28 0.00 0.00 0.41 -1.30 105.19 106.40 2i50 n GLY 66 Ca -0.01 -1.66 0.06 0.00 0.00 0.00 0.00 46.02 44.42 2i50 n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2i50 h ARG 67 N 0.00 0.41 -0.91 1.61 2.43 -1.92 -2.54 114.38 113.46 2i50 h ARG 67 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2i50 h ARG 67 Cb 0.00 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2i50 h ARG 67 CO 0.00 0.27 0.04 0.27 -1.51 0.00 0.00 179.97 179.04 2i50 n ASN 68 N -5.02 2.51 -4.94 -3.80 0.23 -1.26 -4.82 115.26 98.15 2i50 n ASN 68 Ca 0.15 -2.30 -0.21 0.00 -0.53 0.00 0.00 54.58 51.69 2i50 n ASN 68 Cb 0.45 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 2i50 n ASN 68 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2i50 s SER 69 N -0.10 5.05 0.09 0.53 1.04 -0.96 -4.39 113.70 114.97 2i50 s SER 69 Ca 0.15 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 55.81 2i50 s SER 69 Cb 0.12 -0.13 -0.22 0.00 0.10 0.00 0.00 66.02 65.89 2i50 s SER 69 CO 0.04 -0.95 1.16 -0.61 0.98 0.00 0.00 173.24 173.86 2i50 h GLN 70 N 0.69 0.03 0.04 4.02 4.15 -1.87 -3.38 115.11 118.79 2i50 h GLN 70 Ca -0.37 -0.05 -0.35 0.00 0.77 0.00 0.00 58.65 58.65 2i50 h GLN 70 Cb 1.28 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.94 2i50 h GLN 70 CO 0.51 0.94 -2.07 0.39 -1.93 0.00 0.00 178.83 176.68 2i50 n GLU 71 N -3.32 0.69 -3.49 1.69 -0.58 -1.26 -4.98 120.64 109.38 2i50 n GLU 71 Ca -0.04 0.20 -0.25 0.00 -0.42 0.00 0.00 57.16 56.65 2i50 n GLU 71 Cb 0.97 -1.67 -0.00 0.00 -0.57 0.00 0.00 31.44 30.17 2i50 n GLU 71 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i50 n GLN 72 N -3.16 -3.71 0.19 3.49 6.02 -1.25 -4.85 117.38 114.10 2i50 n GLN 72 Ca -0.30 0.51 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 2i50 n GLN 72 Cb 1.06 -5.25 0.69 0.00 1.02 0.00 0.00 30.24 27.76 2i50 n GLN 72 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2i50 h HIS 73 N -1.18 0.00 -0.34 1.08 3.86 -1.74 0.15 115.15 116.98 2i50 h HIS 73 Ca -0.47 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.70 2i50 h HIS 73 Cb 1.31 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.77 2i50 h HIS 73 CO 0.65 0.00 0.03 0.00 0.86 0.00 0.00 177.93 179.46 2i50 h ALA 74 N 1.91 1.41 -0.01 2.45 0.00 -1.43 0.79 119.26 124.38 2i50 h ALA 74 Ca 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2i50 h ALA 74 Cb 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2i50 h ALA 74 CO -0.00 0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 179.59 2i50 h LEU 75 N 0.51 0.03 -1.38 0.00 -0.00 -1.17 -1.04 115.31 112.25 2i50 h LEU 75 Ca 0.11 -0.49 0.14 0.00 -0.00 0.00 0.00 57.88 57.65 2i50 h LEU 75 Cb 0.29 -0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 40.88 2i50 h LEU 75 CO 0.01 0.51 0.55 0.11 -0.00 0.00 0.00 178.44 179.62 2i50 h LYS 76 N -0.46 0.58 -0.19 1.13 1.57 -1.11 0.16 116.57 118.26 2i50 h LYS 76 Ca 0.00 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2i50 h LYS 76 Cb 0.50 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2i50 h LYS 76 CO 0.00 0.39 -0.48 1.25 -0.57 0.00 0.00 179.45 180.04 2i50 h HIS 77 N 0.60 0.61 -0.18 -1.35 2.76 -0.43 0.28 115.15 117.43 2i50 h HIS 77 Ca 0.42 -0.19 -0.20 0.00 -2.20 0.00 0.00 60.37 58.20 2i50 h HIS 77 Cb 0.76 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2i50 h HIS 77 CO -0.00 0.88 -0.67 -0.92 -1.30 0.00 0.00 177.93 175.92 2i50 h TYR 78 N 0.40 0.92 -0.00 5.26 3.20 -0.24 -3.05 116.97 123.45 2i50 h TYR 78 Ca 0.02 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2i50 h TYR 78 Cb 0.98 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2i50 h TYR 78 CO 0.04 1.17 0.00 1.28 -1.64 0.00 0.00 178.16 179.01 2i50 n LEU 79 N -3.94 0.00 -4.66 2.82 4.77 0.46 -4.75 117.00 111.71 2i50 n LEU 79 Ca -0.05 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2i50 n LEU 79 Cb 0.68 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 2i50 n LEU 79 CO 0.50 0.00 1.59 -0.89 -1.33 0.00 0.00 177.39 177.26 2i50 s THR 80 N -2.00 3.06 -1.27 -5.08 2.01 0.92 -4.84 115.64 108.43 2i50 s THR 80 Ca 0.43 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 62.41 2i50 s THR 80 Cb 0.20 -3.04 -0.11 0.00 0.01 0.00 0.00 72.50 69.55 2i50 s THR 80 CO 0.33 -0.01 2.95 -0.81 -0.69 0.00 0.00 174.62 176.39 2i50 n PRO 81 N 7.53 3.20 -2.81 4.92 -0.04 -1.26 -4.86 135.00 141.68 2i50 n PRO 81 Ca 0.20 -1.90 -0.20 0.00 -0.04 0.00 0.00 63.50 61.56 2i50 n PRO 81 Cb 0.41 -2.62 0.04 0.00 -0.04 0.00 0.00 33.50 31.29 2i50 n PRO 81 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2i50 s ARG 82 N 2.14 2.52 -0.04 0.54 1.70 -1.26 -5.04 118.95 119.52 2i50 s ARG 82 Ca 0.65 -1.08 -0.22 0.00 -0.47 0.00 0.00 55.73 54.61 2i50 s ARG 82 Cb 0.19 -2.58 -0.26 0.00 -0.57 0.00 0.00 34.95 31.73 2i50 s ARG 82 CO -0.05 -0.66 1.00 0.77 -1.08 0.00 0.00 175.30 175.28 2i50 h SER 83 N 0.22 0.40 -4.09 -2.89 0.02 -2.03 -3.44 113.55 101.73 2i50 h SER 83 Ca -0.39 -0.84 -0.48 0.00 -0.84 0.00 0.00 61.79 59.24 2i50 h SER 83 Cb 1.29 -0.13 0.04 0.00 0.14 0.00 0.00 62.40 63.74 2i50 h SER 83 CO 0.47 1.20 0.40 -1.61 -1.14 0.00 0.00 176.83 176.14 2i50 s GLU 84 N -2.88 3.64 -0.01 3.45 2.02 -1.26 -4.99 118.70 118.67 2i50 s GLU 84 Ca -0.14 1.41 -0.23 0.00 0.02 0.00 0.00 54.97 56.02 2i50 s GLU 84 Cb 0.02 -2.07 -0.20 0.00 0.10 0.00 0.00 34.13 31.98 2i50 s GLU 84 CO 0.80 -0.57 1.16 -1.00 0.02 0.00 0.00 175.26 175.66 2i50 h PRO 85 N 1.35 0.24 -6.04 0.39 0.13 -1.87 -3.47 132.00 122.73 2i50 h PRO 85 Ca -0.49 -0.19 -0.45 0.00 -0.87 0.00 0.00 66.00 64.00 2i50 h PRO 85 Cb 1.23 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2i50 h PRO 85 CO 0.58 0.84 -0.72 0.72 -0.23 0.00 0.00 178.00 179.19 2i50 n HIS 86 N -4.53 -2.39 -0.36 1.56 8.25 -1.26 -4.86 115.22 111.63 2i50 n HIS 86 Ca -0.09 0.88 0.08 0.00 -0.26 0.00 0.00 57.72 58.34 2i50 n HIS 86 Cb 0.45 -4.18 0.32 0.00 1.12 0.00 0.00 29.99 27.70 2i50 n HIS 86 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i50 s LEU 88 N -1.69 2.25 0.01 0.00 1.43 -1.26 -1.01 118.68 118.42 2i50 s LEU 88 Ca 0.46 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2i50 s LEU 88 Cb 0.29 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2i50 s LEU 88 CO 0.22 0.02 -0.05 0.68 0.23 0.00 0.00 176.35 177.44 2i50 s VAL 89 N 1.20 0.39 0.11 -1.59 -7.23 -0.65 0.71 120.40 113.34 2i50 s VAL 89 Ca 0.02 -0.51 0.07 0.00 -1.81 0.00 0.00 61.98 59.75 2i50 s VAL 89 Cb -0.14 -0.39 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 2i50 s VAL 89 CO -0.09 -0.09 -0.08 -1.48 -0.31 0.00 0.00 175.10 173.05 2i50 s LEU 90 N -0.65 3.13 0.04 1.32 0.05 0.92 0.18 118.68 123.66 2i50 s LEU 90 Ca -0.03 -0.36 -0.19 0.00 0.05 0.00 0.00 54.13 53.60 2i50 s LEU 90 Cb -0.05 -1.90 -0.06 0.00 -2.05 0.00 0.00 46.19 42.13 2i50 s LEU 90 CO -0.00 0.17 0.54 -0.94 -0.55 0.00 0.00 176.35 175.57 2i50 s SER 91 N -2.29 6.99 -0.10 1.48 1.04 0.61 -0.19 113.70 121.23 2i50 s SER 91 Ca 0.23 1.17 0.11 0.00 0.48 0.00 0.00 55.95 57.94 2i50 s SER 91 Cb -0.11 -2.34 0.50 0.00 0.10 0.00 0.00 66.02 64.17 2i50 s SER 91 CO 0.15 0.24 1.32 0.18 0.98 0.00 0.00 173.24 176.11 2i50 n LEU 92 N 2.02 3.57 -0.02 2.42 4.77 0.53 -2.19 117.00 128.10 2i50 n LEU 92 Ca -0.10 -1.81 -0.05 0.00 -0.03 0.00 0.00 56.01 54.03 2i50 n LEU 92 Cb 0.51 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2i50 n LEU 92 CO 0.41 0.54 -0.34 0.47 -1.33 0.00 0.00 177.39 177.14 2i50 n ASP 93 N 0.57 1.51 -0.00 -1.43 9.92 -1.26 -4.78 116.55 121.07 2i50 n ASP 93 Ca 0.17 0.23 0.07 0.00 -0.53 0.00 0.00 54.79 54.74 2i50 n ASP 93 Cb 0.71 -0.53 -0.11 0.00 -0.64 0.00 0.00 41.12 40.56 2i50 n ASP 93 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2i50 n ASN 94 N -3.96 1.18 -2.50 -2.24 5.15 -1.26 -4.99 115.26 106.64 2i50 n ASN 94 Ca -0.07 -0.34 -0.11 0.00 -0.60 0.00 0.00 54.58 53.47 2i50 n ASN 94 Cb 0.26 1.42 0.06 0.00 -0.53 0.00 0.00 39.78 40.99 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2i50 n TRP 95 N -1.76 -1.36 -3.15 1.20 7.02 -0.93 -5.04 117.44 113.41 2i50 n TRP 95 Ca -0.01 0.58 -0.18 0.00 -1.02 0.00 0.00 57.50 56.87 2i50 n TRP 95 Cb 0.33 -3.90 0.01 0.00 -2.42 0.00 0.00 31.31 25.33 2i50 n TRP 95 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2i50 s SER 96 N -3.83 5.76 -0.06 -0.99 0.01 -1.25 -4.83 113.70 108.50 2i50 s SER 96 Ca 0.01 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.02 2i50 s SER 96 Cb -0.00 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.29 2i50 s SER 96 CO 0.45 -0.66 -0.16 -0.69 0.41 0.00 0.00 173.24 172.59 2i50 s VAL 97 N -2.32 2.88 -0.06 3.43 1.01 -1.25 -0.29 120.40 123.80 2i50 s VAL 97 Ca 0.51 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2i50 s VAL 97 Cb -0.10 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2i50 s VAL 97 CO 0.33 0.58 -0.22 0.86 0.00 0.00 0.00 175.10 176.64 2i50 s TRP 98 N -0.48 2.22 -0.23 5.22 -0.11 0.13 -0.20 118.94 125.48 2i50 s TRP 98 Ca 0.06 -0.72 0.00 0.00 1.22 0.00 0.00 56.10 56.67 2i50 s TRP 98 Cb -0.12 -1.47 0.03 0.00 -1.50 0.00 0.00 33.47 30.41 2i50 s TRP 98 CO 0.02 -0.25 -0.12 0.00 -4.62 0.00 0.00 176.95 171.98 2i50 h TYR 100 N 7.93 0.16 0.00 0.00 0.05 -1.36 0.55 116.97 124.30 2i50 h TYR 100 Ca -0.33 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2i50 h TYR 100 Cb 1.10 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.80 2i50 h TYR 100 CO 0.56 0.51 -0.54 -0.24 -1.05 0.00 0.00 178.16 177.40 2i50 h VAL 101 N 0.12 0.00 0.01 -2.88 3.04 -1.94 -2.97 116.25 111.62 2i50 h VAL 101 Ca 0.01 -0.83 -0.30 0.00 -1.01 0.00 0.00 66.70 64.57 2i50 h VAL 101 Cb 0.74 1.54 -0.05 0.00 -2.01 0.00 0.00 31.29 31.51 2i50 h VAL 101 CO 0.06 0.00 -1.77 0.00 -1.01 0.00 0.00 177.57 174.84 2i50 n ASP 103 N -3.05 -2.39 -2.90 0.00 2.03 0.19 -5.01 116.55 105.43 2i50 n ASP 103 Ca -0.19 -0.58 -0.10 0.00 0.52 0.00 0.00 54.79 54.44 2i50 n ASP 103 Cb 1.06 -4.78 0.02 0.00 -0.72 0.00 0.00 41.12 36.69 2i50 n ASP 103 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2i50 s ASN 104 N -4.18 0.22 -0.07 1.67 4.22 -1.16 -5.02 114.94 110.61 2i50 s ASN 104 Ca 0.03 -1.26 -0.14 0.00 -2.14 0.00 0.00 52.86 49.35 2i50 s ASN 104 Cb -0.00 0.83 -0.05 0.00 1.28 0.00 0.00 41.25 43.31 2i50 s ASN 104 CO 0.68 -1.65 0.36 -0.70 -2.04 0.00 0.00 177.10 173.75 2i50 s GLU 105 N -2.31 4.02 0.03 3.55 2.12 -1.26 -1.67 118.70 123.18 2i50 s GLU 105 Ca 0.19 0.28 -0.15 0.00 0.36 0.00 0.00 54.97 55.64 2i50 s GLU 105 Cb -0.04 -3.30 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 2i50 s GLU 105 CO 0.14 0.50 0.45 0.08 -0.54 0.00 0.00 175.26 175.89 2i50 s VAL 106 N -0.41 4.96 -0.14 3.70 1.01 0.72 -4.96 120.40 125.28 2i50 s VAL 106 Ca 0.21 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.85 2i50 s VAL 106 Cb -0.15 -3.75 -0.25 0.00 0.00 0.00 0.00 36.38 32.23 2i50 s VAL 106 CO 0.09 0.54 0.61 1.56 0.00 0.00 0.00 175.10 177.90 2i50 h GLN 107 N 4.54 0.09 -1.74 2.72 7.50 -1.98 -3.33 115.11 122.90 2i50 h GLN 107 Ca -0.51 -0.15 0.20 0.00 0.50 0.00 0.00 58.65 58.69 2i50 h GLN 107 Cb 1.22 0.06 -0.05 0.00 0.05 0.00 0.00 27.48 28.75 2i50 h GLN 107 CO 0.62 1.07 -0.30 2.48 -1.50 0.00 0.00 178.83 181.20 2i50 n TYR 108 N -4.37 -1.84 -3.63 2.96 0.18 -1.26 -5.01 117.16 104.19 2i50 n TYR 108 Ca -0.19 0.93 -0.15 0.00 1.88 0.00 0.00 57.90 60.37 2i50 n TYR 108 Cb 0.66 -1.67 -0.07 0.00 -0.38 0.00 0.00 39.34 37.87 2i50 n TYR 108 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i50 h SER 110 N 3.29 0.00 1.01 0.00 0.02 -1.96 -0.25 113.55 115.67 2i50 h SER 110 Ca -0.29 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 2i50 h SER 110 Cb 1.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2i50 h SER 110 CO 0.40 0.05 -0.51 0.77 -1.14 0.00 0.00 176.83 176.40 2i50 h SER 111 N 0.00 0.00 -3.82 3.07 4.64 -1.96 -3.14 113.55 112.33 2i50 h SER 111 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2i50 h SER 111 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2i50 h SER 111 CO 0.01 0.51 0.29 0.21 -0.87 0.00 0.00 176.83 176.98 2i50 s ASN 112 N -6.52 7.25 0.32 4.97 3.84 -0.12 -4.85 114.94 119.83 2i50 s ASN 112 Ca 0.01 1.73 0.09 0.00 0.21 0.00 0.00 52.86 54.90 2i50 s ASN 112 Cb 0.10 -2.54 0.89 0.00 -0.55 0.00 0.00 41.25 39.15 2i50 s ASN 112 CO 0.73 -0.06 1.71 -0.61 -2.79 0.00 0.00 177.10 176.07 2i50 h GLN 113 N 3.14 0.48 -0.39 0.43 4.15 -1.86 0.31 115.11 121.38 2i50 h GLN 113 Ca -0.47 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 58.76 2i50 h GLN 113 Cb 1.19 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2i50 h GLN 113 CO 0.65 0.32 -0.38 1.25 -1.93 0.00 0.00 178.83 178.74 2i50 h LEU 114 N 0.50 1.01 -0.48 -2.39 5.85 -1.93 0.50 115.31 118.37 2i50 h LEU 114 Ca 0.64 -0.46 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2i50 h LEU 114 Cb 1.27 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2i50 h LEU 114 CO -0.51 1.26 -0.20 1.23 -0.34 0.00 0.00 178.44 179.88 2i50 h GLY 115 N 0.78 1.06 0.57 3.75 0.00 -0.82 0.92 103.07 109.34 2i50 h GLY 115 Ca 0.06 -0.93 0.07 0.00 0.00 0.00 0.00 47.33 46.53 2i50 h GLY 115 CO 0.09 0.85 0.31 1.46 0.00 0.00 0.00 176.54 179.25 2i50 h GLN 116 N 0.83 0.54 -0.03 4.80 4.20 -0.19 0.48 115.11 125.75 2i50 h GLN 116 Ca 0.11 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2i50 h GLN 116 Cb 0.77 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2i50 h GLN 116 CO 0.06 0.36 -0.19 0.28 -0.67 0.00 0.00 178.83 178.67 2i50 h VAL 117 N 0.56 1.49 -0.89 -0.54 2.07 -0.59 -0.53 116.25 117.81 2i50 h VAL 117 Ca 0.29 -1.73 0.11 0.00 0.82 0.00 0.00 66.70 66.20 2i50 h VAL 117 Cb 0.26 2.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.50 2i50 h VAL 117 CO -0.23 0.47 0.57 0.58 0.02 0.00 0.00 177.57 178.99 2i50 h VAL 118 N -0.42 0.92 -0.33 2.57 2.07 -0.68 0.45 116.25 120.83 2i50 h VAL 118 Ca -0.02 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 2i50 h VAL 118 Cb 0.87 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2i50 h VAL 118 CO 0.04 0.15 -0.08 -0.78 0.02 0.00 0.00 177.57 176.92 2i50 h ASP 119 N 0.81 0.64 -0.04 0.57 3.58 -0.76 0.19 116.42 121.41 2i50 h ASP 119 Ca 0.43 -0.36 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 2i50 h ASP 119 Cb 0.52 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 2i50 h ASP 119 CO -0.19 0.85 0.01 0.22 -2.88 0.00 0.00 179.24 177.25 2i50 h TYR 120 N 0.41 0.07 0.00 0.28 3.20 0.22 -1.09 116.97 120.07 2i50 h TYR 120 Ca 0.08 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2i50 h TYR 120 Cb 0.57 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2i50 h TYR 120 CO 0.05 0.31 -0.46 0.28 -1.64 0.00 0.00 178.16 176.70 2i50 h VAL 121 N -0.18 1.23 -0.46 1.81 2.07 -0.07 0.70 116.25 121.35 2i50 h VAL 121 Ca 0.01 -1.62 -0.11 0.00 0.82 0.00 0.00 66.70 65.80 2i50 h VAL 121 Cb 0.27 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2i50 h VAL 121 CO 0.00 0.45 -0.14 -0.09 0.02 0.00 0.00 177.57 177.81 2i50 h ARG 122 N 0.00 0.86 0.00 1.57 2.43 -0.36 -0.85 114.38 118.03 2i50 h ARG 122 Ca -0.00 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 2i50 h ARG 122 Cb 0.86 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 2i50 h ARG 122 CO 0.06 0.95 -0.15 0.87 -1.51 0.00 0.00 179.97 180.19 2i50 h LYS 123 N 0.76 0.00 -0.01 0.20 1.79 0.37 0.31 116.57 119.99 2i50 h LYS 123 Ca 0.12 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2i50 h LYS 123 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2i50 h LYS 123 CO 0.05 0.15 -0.17 1.96 -1.08 0.00 0.00 179.45 180.35 2i50 h GLN 124 N 0.00 0.14 -0.17 3.15 1.08 0.15 -3.33 115.11 116.13 2i50 h GLN 124 Ca -0.00 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 56.91 2i50 h GLN 124 Cb 0.54 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2i50 h GLN 124 CO 0.02 0.85 -0.49 0.00 -0.95 0.00 0.00 178.83 178.26 2i50 h ALA 125 N 0.29 0.29 -0.00 3.87 0.00 -1.09 -3.52 119.26 119.10 2i50 h ALA 125 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2i50 h ALA 125 Cb 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2i50 h ALA 125 CO 0.03 0.45 0.00 0.43 0.00 0.00 0.00 179.25 180.17