#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 0.00 -0.19 0.52 0.11 -1.26 -5.00 120.40 114.58 2i50 s VAL 6 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2i50 s VAL 6 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2i50 s VAL 6 CO 0.00 0.00 0.03 0.00 -3.33 0.00 0.00 175.10 171.80 2i50 n ARG 8 N 3.84 1.82 -0.89 0.00 3.00 -1.26 -4.42 116.66 118.74 2i50 n ARG 8 Ca -0.17 -3.28 -0.05 0.00 -0.00 0.00 0.00 57.85 54.35 2i50 n ARG 8 Cb 0.52 -1.77 0.27 0.00 0.00 0.00 0.00 32.46 31.48 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 -1.11 2.15 -0.02 -0.14 8.25 -1.26 -4.52 115.22 118.57 2i50 n HIS 9 Ca 0.29 -1.06 -0.16 0.00 -0.26 0.00 0.00 57.72 56.53 2i50 n HIS 9 Cb 0.91 -0.62 -0.10 0.00 1.12 0.00 0.00 29.99 31.29 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 2.33 1.43 -0.43 1.59 1.08 -1.95 -0.76 117.51 120.80 2i50 h ILE 10 Ca 0.23 -1.92 -0.04 0.00 -0.39 0.00 0.00 64.86 62.74 2i50 h ILE 10 Cb 2.13 2.47 -0.02 0.00 -3.07 0.00 0.00 36.82 38.33 2i50 h ILE 10 CO 0.65 0.56 0.09 0.03 -0.69 0.00 0.00 178.15 178.78 2i50 h ARG 11 N -0.12 0.64 0.00 2.37 3.08 -1.83 0.71 114.38 119.23 2i50 h ARG 11 Ca -0.05 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 2i50 h ARG 11 Cb 1.16 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 2i50 h ARG 11 CO 0.09 0.60 -0.76 1.57 -1.07 0.00 0.00 179.97 180.40 2i50 h LYS 12 N 0.63 0.00 -0.02 0.04 2.10 -1.87 -3.32 116.57 114.12 2i50 h LYS 12 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2i50 h LYS 12 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2i50 h LYS 12 CO -0.00 0.12 -0.33 0.41 -2.00 0.00 0.00 179.45 177.65 2i50 n GLY 13 N 1.21 0.30 2.84 0.07 0.00 -0.30 -4.61 105.19 104.70 2i50 n GLY 13 Ca -0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.33 0.90 -0.47 0.99 0.20 0.20 -1.74 118.68 116.43 2i50 s LEU 14 Ca 0.22 -0.17 0.03 0.00 0.69 0.00 0.00 54.13 54.89 2i50 s LEU 14 Cb 0.19 -0.60 0.14 0.00 -0.43 0.00 0.00 46.19 45.48 2i50 s LEU 14 CO 0.49 -0.15 0.25 -0.70 -0.29 0.00 0.00 176.35 175.95 2i50 s GLU 15 N 1.74 1.48 0.37 1.98 -6.30 -0.97 -4.68 118.70 112.32 2i50 s GLU 15 Ca 0.03 -2.19 0.11 0.00 -2.50 0.00 0.00 54.97 50.42 2i50 s GLU 15 Cb -0.13 -2.58 0.90 0.00 0.00 0.00 0.00 34.13 32.32 2i50 s GLU 15 CO -0.06 -1.16 1.85 1.96 0.02 0.00 0.00 175.26 177.88 2i50 h GLN 16 N 6.62 0.59 0.18 4.30 4.20 -1.87 -2.61 115.11 126.51 2i50 h GLN 16 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2i50 h GLN 16 Cb 0.91 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2i50 h GLN 16 CO 0.54 0.39 -0.09 0.78 -0.67 0.00 0.00 178.83 179.78 2i50 h GLY 17 N 0.61 -0.26 2.00 3.46 0.00 -1.94 -2.62 103.07 104.32 2i50 h GLY 17 Ca 0.48 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2i50 h GLY 17 CO -0.22 -0.09 0.00 3.45 0.00 0.00 0.00 176.54 179.67 2i50 h ASN 18 N -0.37 0.00 0.04 0.19 -0.00 -1.84 -3.14 115.58 110.47 2i50 h ASN 18 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.27 2i50 h ASN 18 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.60 2i50 h ASN 18 CO 0.04 0.00 -0.03 -0.07 -0.00 0.00 0.00 177.43 177.37 2i50 h LEU 19 N 0.00 -0.07 -0.92 6.14 -0.00 -1.11 -1.65 115.31 117.69 2i50 h LEU 19 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 2i50 h LEU 19 Cb 0.78 0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 41.40 2i50 h LEU 19 CO 0.00 -0.05 0.57 0.11 -0.00 0.00 0.00 178.44 179.08 2i50 h LYS 20 N -0.07 0.97 -0.04 1.13 1.79 -1.44 0.28 116.57 119.19 2i50 h LYS 20 Ca -0.00 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.24 2i50 h LYS 20 Cb 0.06 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2i50 h LYS 20 CO 0.00 0.64 -0.72 0.87 -1.08 0.00 0.00 179.45 179.17 2i50 h LYS 21 N 1.00 0.24 0.15 3.15 1.79 -1.59 -2.92 116.57 118.40 2i50 h LYS 21 Ca 0.42 -0.20 -0.29 0.00 -2.18 0.00 0.00 60.65 58.40 2i50 h LYS 21 Cb 0.26 0.04 0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2i50 h LYS 21 CO -0.20 0.86 -1.28 0.00 -1.08 0.00 0.00 179.45 177.75 2i50 h ALA 22 N 1.08 0.05 0.00 3.86 0.00 -0.23 -3.18 119.26 120.84 2i50 h ALA 22 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2i50 h ALA 22 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2i50 h ALA 22 CO 0.11 0.88 0.00 1.28 0.00 0.00 0.00 179.25 181.52 2i50 n LEU 23 N -3.61 0.00 -0.10 0.00 4.77 -0.04 -1.38 117.00 116.64 2i50 n LEU 23 Ca -0.11 0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 56.14 2i50 n LEU 23 Cb 1.03 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2i50 n LEU 23 CO 0.56 -0.06 0.77 0.58 -1.33 0.00 0.00 177.39 177.90 2i50 h VAL 24 N 0.00 1.26 -0.57 4.08 2.07 -1.49 -3.33 116.25 118.27 2i50 h VAL 24 Ca 0.00 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2i50 h VAL 24 Cb 0.31 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2i50 h VAL 24 CO 0.00 0.31 0.00 0.59 0.02 0.00 0.00 177.57 178.49 2i50 n ASN 25 N -4.55 3.92 -4.81 0.57 3.02 -0.48 -4.98 115.26 107.95 2i50 n ASN 25 Ca -0.03 -2.21 -0.31 0.00 -0.03 0.00 0.00 54.58 52.00 2i50 n ASN 25 Cb 0.27 -0.45 0.07 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.40 3.71 -0.45 2.41 -7.23 -0.94 -5.01 120.40 111.50 2i50 s VAL 26 Ca 0.42 0.55 -0.02 0.00 -1.81 0.00 0.00 61.98 61.13 2i50 s VAL 26 Cb 0.25 -3.27 0.12 0.00 0.56 0.00 0.00 36.38 34.04 2i50 s VAL 26 CO 0.24 -0.73 0.24 -0.70 -0.31 0.00 0.00 175.10 173.84 2i50 s GLU 27 N -5.06 2.06 0.22 4.82 2.56 -1.26 -5.07 118.70 116.97 2i50 s GLU 27 Ca 0.59 -2.00 -0.32 0.00 0.00 0.00 0.00 54.97 53.24 2i50 s GLU 27 Cb -0.14 -3.57 -0.12 0.00 2.00 0.00 0.00 34.13 32.30 2i50 s GLU 27 CO 0.55 -1.08 1.71 0.91 -0.56 0.00 0.00 175.26 176.79 2i50 n TRP 28 N 4.28 2.75 -1.89 5.30 5.03 -1.26 -1.77 117.44 129.90 2i50 n TRP 28 Ca 0.01 0.07 -0.15 0.00 3.03 0.00 0.00 57.50 60.45 2i50 n TRP 28 Cb 0.40 -2.66 -0.03 0.00 -1.03 0.00 0.00 31.31 27.99 2i50 n TRP 28 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 2i50 n ASN 29 N 3.77 -4.62 -3.67 -0.99 2.85 -1.26 -4.96 115.26 106.38 2i50 n ASN 29 Ca 0.15 0.16 -0.27 0.00 -0.11 0.00 0.00 54.58 54.51 2i50 n ASN 29 Cb 0.35 -3.60 -0.16 0.00 1.24 0.00 0.00 39.78 37.60 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 -2.65 0.26 -0.49 -1.44 1.01 -0.73 -4.98 121.20 112.19 2i50 s ILE 30 Ca 0.00 -0.51 -0.38 0.00 0.00 0.00 0.00 60.65 59.77 2i50 s ILE 30 Cb 0.00 -0.91 -0.15 0.00 0.01 0.00 0.00 42.46 41.41 2i50 s ILE 30 CO 0.00 -0.33 2.24 0.00 0.00 0.00 0.00 174.94 176.85 2i50 h GLN 32 N 11.38 0.34 0.00 0.00 4.20 -1.13 0.19 115.11 130.09 2i50 h GLN 32 Ca -0.18 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2i50 h GLN 32 Cb 1.36 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2i50 h GLN 32 CO 1.10 0.23 0.00 -3.47 -0.67 0.00 0.00 178.83 176.01 2i50 n ASP 33 N -4.48 0.58 0.08 1.46 2.03 -1.12 0.39 116.55 115.49 2i50 n ASP 33 Ca 0.05 0.62 -0.16 0.00 0.52 0.00 0.00 54.79 55.82 2i50 n ASP 33 Cb 0.24 -0.75 -0.14 0.00 -0.72 0.00 0.00 41.12 39.75 2i50 n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i50 h LYS 35 N 0.07 0.28 -0.77 0.00 2.10 -1.16 -3.30 116.57 113.80 2i50 h LYS 35 Ca -0.20 -0.48 -0.30 0.00 -2.00 0.00 0.00 60.65 57.67 2i50 h LYS 35 Cb 2.00 0.18 -0.18 0.00 -0.90 0.00 0.00 32.23 33.33 2i50 h LYS 35 CO 0.18 1.20 0.35 0.25 -2.00 0.00 0.00 179.45 179.43 2i50 n THR 36 N -3.48 2.97 -0.29 0.07 -2.24 0.16 -4.69 114.28 106.78 2i50 n THR 36 Ca -0.29 -1.84 0.07 0.00 -2.27 0.00 0.00 64.05 59.72 2i50 n THR 36 Cb 1.06 -0.39 0.17 0.00 -2.10 0.00 0.00 70.33 69.07 2i50 n THR 36 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2i50 h ASP 37 N 1.96 -0.52 0.00 3.42 3.58 -1.61 -3.45 116.42 119.80 2i50 h ASP 37 Ca 0.37 0.24 0.00 0.00 0.42 0.00 0.00 57.03 58.06 2i50 h ASP 37 Cb 2.41 0.44 0.00 0.00 1.72 0.00 0.00 39.33 43.90 2i50 h ASP 37 CO 0.81 -0.25 0.00 -3.20 -2.88 0.00 0.00 179.24 173.71 2i50 n ASN 38 N -5.45 0.00 0.14 2.28 2.85 -1.26 -4.66 115.26 109.16 2i50 n ASN 38 Ca 0.16 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.53 2i50 n ASN 38 Cb 0.53 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.50 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2i50 h LYS 39 N 0.00 -0.42 -7.52 1.20 1.57 -1.95 -3.46 116.57 106.00 2i50 h LYS 39 Ca 0.00 0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 58.35 2i50 h LYS 39 Cb 0.00 0.09 0.13 0.00 0.08 0.00 0.00 32.23 32.53 2i50 h LYS 39 CO 0.00 -0.16 0.29 0.14 -0.57 0.00 0.00 179.45 179.15 2i50 s VAL 40 N -3.40 2.05 -0.06 0.50 -7.23 -1.26 -5.04 120.40 105.96 2i50 s VAL 40 Ca -0.10 -0.26 0.05 0.00 -1.81 0.00 0.00 61.98 59.87 2i50 s VAL 40 Cb 0.01 -2.80 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 2i50 s VAL 40 CO 0.33 0.00 0.01 0.29 -0.31 0.00 0.00 175.10 175.41 2i50 n LYS 41 N -3.37 2.61 0.00 4.82 5.02 -1.26 -4.99 118.16 120.99 2i50 n LYS 41 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2i50 n LYS 41 Cb 0.60 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 2i50 n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2i50 n ASP 42 N -2.30 0.00 0.00 4.39 9.92 -1.26 -4.76 116.55 122.55 2i50 n ASP 42 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 2i50 n ASP 42 Cb 0.69 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 2i50 n ASP 42 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2i50 n LYS 43 N 0.00 0.00 -0.06 -1.24 5.02 -1.26 -3.56 118.16 117.05 2i50 n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2i50 n LYS 43 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i50 n ALA 44 N 0.00 1.32 -0.28 7.82 0.00 -1.26 -4.63 120.51 123.49 2i50 n ALA 44 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 53.44 52.82 2i50 n ALA 44 Cb 0.00 -0.07 0.24 0.00 0.00 0.00 0.00 19.45 19.62 2i50 n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2i50 n GLU 45 N -0.12 2.81 -2.11 0.00 1.02 -1.23 -4.97 120.64 116.03 2i50 n GLU 45 Ca 0.00 -2.36 -0.43 0.00 -0.02 0.00 0.00 57.16 54.35 2i50 n GLU 45 Cb 0.49 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 2i50 n GLU 45 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2i50 s GLU 46 N -1.00 3.52 0.23 3.49 4.04 -1.26 -4.86 118.70 122.86 2i50 s GLU 46 Ca 0.36 1.38 0.16 0.00 0.04 0.00 0.00 54.97 56.91 2i50 s GLU 46 Cb 0.19 -4.11 0.03 0.00 0.02 0.00 0.00 34.13 30.25 2i50 s GLU 46 CO 0.25 -1.63 1.29 1.05 -1.84 0.00 0.00 175.26 174.38 2i50 h GLU 47 N 11.76 0.00 -0.99 -4.83 4.11 -2.00 -3.42 114.58 119.20 2i50 h GLU 47 Ca -0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.11 2i50 h GLU 47 Cb 1.15 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.20 2i50 h GLU 47 CO 1.03 0.41 -0.40 0.99 0.07 0.00 0.00 179.01 181.11 2i50 s THR 48 N -2.98 -0.99 0.61 -1.06 2.01 -1.26 -5.14 115.64 106.83 2i50 s THR 48 Ca 0.02 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 2i50 s THR 48 Cb 0.08 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 2i50 s THR 48 CO 0.76 0.00 1.29 -0.62 -0.69 0.00 0.00 174.62 175.36 2i50 n GLU 49 N 5.05 1.28 -2.88 4.92 4.71 -1.26 -5.01 120.64 127.44 2i50 n GLU 49 Ca 0.07 0.49 -0.31 0.00 -0.01 0.00 0.00 57.16 57.40 2i50 n GLU 49 Cb 0.55 -2.52 -0.04 0.00 -1.01 0.00 0.00 31.44 28.42 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2i50 s GLU 50 N -3.18 3.88 -0.67 3.49 -1.05 -1.26 -5.03 118.70 114.88 2i50 s GLU 50 Ca 0.79 0.61 0.05 0.00 -0.15 0.00 0.00 54.97 56.27 2i50 s GLU 50 Cb -0.39 -2.37 0.16 0.00 -0.44 0.00 0.00 34.13 31.09 2i50 s GLU 50 CO 0.43 -0.01 0.45 0.15 0.95 0.00 0.00 175.26 177.24 2i50 s LYS 51 N -3.60 2.37 0.60 -4.83 3.01 -1.26 -5.08 119.74 110.95 2i50 s LYS 51 Ca 0.53 -3.21 0.04 0.00 -1.01 0.00 0.00 55.97 52.33 2i50 s LYS 51 Cb -0.10 -3.40 0.11 0.00 -1.01 0.00 0.00 37.83 33.43 2i50 s LYS 51 CO 0.27 -1.25 0.82 -0.35 0.51 0.00 0.00 175.35 175.34 2i50 n PRO 52 N 2.18 0.29 -3.19 -1.68 -0.04 -1.26 -4.91 135.00 126.39 2i50 n PRO 52 Ca 0.17 -2.66 -0.33 0.00 -0.04 0.00 0.00 63.50 60.64 2i50 n PRO 52 Cb 0.34 -0.41 -0.06 0.00 -0.04 0.00 0.00 33.50 33.33 2i50 n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2i50 s SER 53 N -4.49 6.79 -0.30 3.54 1.04 -1.26 -4.90 113.70 114.11 2i50 s SER 53 Ca 0.58 1.22 -0.00 0.00 0.48 0.00 0.00 55.95 58.23 2i50 s SER 53 Cb -0.04 -2.35 0.06 0.00 0.10 0.00 0.00 66.02 63.79 2i50 s SER 53 CO 0.38 -0.13 -0.01 -0.69 0.98 0.00 0.00 173.24 173.76 2i50 s VAL 54 N -1.87 2.75 -0.23 5.02 1.01 -1.26 0.31 120.40 126.14 2i50 s VAL 54 Ca 0.51 -1.57 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 2i50 s VAL 54 Cb -0.11 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2i50 s VAL 54 CO 0.19 -0.17 0.08 0.26 0.00 0.00 0.00 175.10 175.46 2i50 s TRP 55 N 1.18 3.15 -0.25 5.22 0.52 0.81 -0.21 118.94 129.38 2i50 s TRP 55 Ca -0.04 -0.18 -0.09 0.00 0.02 0.00 0.00 56.10 55.81 2i50 s TRP 55 Cb -0.20 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 2i50 s TRP 55 CO -0.03 -0.14 0.12 -1.17 0.02 0.00 0.00 176.95 175.75 2i50 s LEU 56 N 1.14 3.77 -0.17 2.99 2.96 0.93 -0.35 118.68 129.95 2i50 s LEU 56 Ca 0.05 -0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.61 2i50 s LEU 56 Cb -0.14 -2.01 -0.06 0.00 0.50 0.00 0.00 46.19 44.48 2i50 s LEU 56 CO 0.03 0.01 2.13 0.00 -1.32 0.00 0.00 176.35 177.21 2i50 n LEU 58 N 10.70 0.00 -0.00 0.00 4.77 0.15 0.07 117.00 132.69 2i50 n LEU 58 Ca 0.27 0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 56.38 2i50 n LEU 58 Cb 0.44 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 2i50 n LEU 58 CO 0.66 -0.17 -0.79 1.17 -1.33 0.00 0.00 177.39 176.93 2i50 n LYS 59 N -1.34 0.74 0.00 3.23 3.00 -0.71 -2.30 118.16 120.78 2i50 n LYS 59 Ca 0.06 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 2i50 n LYS 59 Cb 0.13 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.45 2i50 n LYS 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2i50 n GLY 61 N 0.32 0.66 3.73 0.00 0.00 0.11 -4.52 105.19 105.49 2i50 n GLY 61 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 3.16 -0.22 1.61 5.04 -1.25 -4.79 115.29 116.84 2i50 s HIS 62 Ca 0.00 0.98 -0.03 0.00 -1.54 0.00 0.00 55.06 54.46 2i50 s HIS 62 Cb 0.00 -3.74 -0.00 0.00 0.04 0.00 0.00 32.58 28.87 2i50 s HIS 62 CO 0.00 -2.52 -0.05 -1.14 -2.34 0.00 0.00 174.74 168.69 2i50 s GLN 63 N 0.44 3.32 0.26 2.88 0.74 -1.26 0.29 119.66 126.32 2i50 s GLN 63 Ca 0.62 -0.66 0.05 0.00 0.05 0.00 0.00 55.36 55.42 2i50 s GLN 63 Cb -0.39 -2.98 -0.06 0.00 1.10 0.00 0.00 33.01 30.68 2i50 s GLN 63 CO 0.36 -0.21 -0.02 0.20 -0.55 0.00 0.00 175.29 175.07 2i50 s GLY 64 N 1.46 1.70 -0.14 2.59 0.00 0.53 -0.58 107.32 112.87 2i50 s GLY 64 Ca 0.05 -1.84 -0.08 0.00 0.00 0.00 0.00 44.72 42.86 2i50 s GLY 64 CO -0.04 -1.74 0.14 0.00 0.00 0.00 0.00 173.10 171.45 2i50 n GLY 66 N 2.40 -2.64 0.00 0.00 0.00 0.15 -1.63 105.19 103.46 2i50 n GLY 66 Ca -0.19 -1.40 0.07 0.00 0.00 0.00 0.00 46.02 44.50 2i50 n GLY 66 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2i50 n ARG 67 N -1.44 0.09 -0.21 1.61 1.85 -1.26 -2.16 116.66 115.14 2i50 n ARG 67 Ca 0.00 0.21 0.11 0.00 -1.00 0.00 0.00 57.85 57.16 2i50 n ARG 67 Cb 0.00 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 30.18 2i50 n ARG 67 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2i50 n ASN 68 N -1.41 2.94 -4.19 2.89 6.94 -1.26 -4.89 115.26 116.29 2i50 n ASN 68 Ca 0.05 -1.94 -0.21 0.00 -0.02 0.00 0.00 54.58 52.46 2i50 n ASN 68 Cb 0.15 -0.27 0.11 0.00 -2.36 0.00 0.00 39.78 37.41 2i50 n ASN 68 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2i50 n SER 69 N 1.13 1.07 0.03 0.53 3.41 -0.92 -4.65 113.62 114.22 2i50 n SER 69 Ca 0.19 -1.94 -0.19 0.00 -0.26 0.00 0.00 58.87 56.67 2i50 n SER 69 Cb 0.50 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.70 2i50 n SER 69 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2i50 h GLN 70 N 0.00 0.30 0.00 4.33 4.15 -1.90 -3.39 115.11 118.61 2i50 h GLN 70 Ca -0.30 -0.45 -0.14 0.00 0.77 0.00 0.00 58.65 58.52 2i50 h GLN 70 Cb 1.08 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.90 2i50 h GLN 70 CO 0.31 1.18 -2.13 0.39 -1.93 0.00 0.00 178.83 176.65 2i50 n GLU 71 N -4.19 0.67 -3.50 1.69 -0.58 -1.26 -5.02 120.64 108.45 2i50 n GLU 71 Ca -0.13 -0.12 -0.23 0.00 -0.42 0.00 0.00 57.16 56.27 2i50 n GLU 71 Cb 0.76 -1.53 0.05 0.00 -0.57 0.00 0.00 31.44 30.16 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 -2.46 -2.41 0.25 3.49 6.02 -1.26 -4.74 117.38 116.27 2i50 n GLN 72 Ca -0.15 0.66 0.11 0.00 -0.01 0.00 0.00 57.00 57.61 2i50 n GLN 72 Cb 0.80 -5.05 0.72 0.00 1.02 0.00 0.00 30.24 27.73 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 -1.56 0.00 -0.34 1.08 3.86 -1.78 -0.29 115.15 116.12 2i50 h HIS 73 Ca -0.63 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.50 2i50 h HIS 73 Cb 1.34 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.79 2i50 h HIS 73 CO 0.35 0.00 -0.14 0.00 0.86 0.00 0.00 177.93 179.00 2i50 h ALA 74 N 1.97 1.14 0.06 2.45 0.00 -1.59 0.18 119.26 123.47 2i50 h ALA 74 Ca 0.02 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 2i50 h ALA 74 Cb 0.09 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.75 2i50 h ALA 74 CO -0.00 0.54 -0.94 -0.07 0.00 0.00 0.00 179.25 178.78 2i50 h LEU 75 N 0.54 0.73 -1.76 0.00 4.07 -1.32 -0.78 115.31 116.80 2i50 h LEU 75 Ca 0.09 -0.80 0.07 0.00 0.08 0.00 0.00 57.88 57.33 2i50 h LEU 75 Cb 0.55 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2i50 h LEU 75 CO 0.03 1.44 0.31 0.11 -1.08 0.00 0.00 178.44 179.26 2i50 h LYS 76 N 0.10 0.28 -0.05 1.13 1.57 -1.01 0.24 116.57 118.84 2i50 h LYS 76 Ca -0.13 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.49 2i50 h LYS 76 Cb 1.64 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.87 2i50 h LYS 76 CO 0.18 0.19 -0.60 1.25 -0.57 0.00 0.00 179.45 179.89 2i50 h HIS 77 N 0.29 0.21 -0.16 -1.35 2.76 -0.32 0.20 115.15 116.78 2i50 h HIS 77 Ca 0.20 -0.08 -0.18 0.00 -2.20 0.00 0.00 60.37 58.11 2i50 h HIS 77 Cb 0.43 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.35 2i50 h HIS 77 CO -0.00 0.73 -0.64 -0.92 -1.30 0.00 0.00 177.93 175.79 2i50 h TYR 78 N 0.12 0.76 -0.00 5.26 3.20 0.51 -3.06 116.97 123.77 2i50 h TYR 78 Ca -0.01 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2i50 h TYR 78 Cb 1.09 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2i50 h TYR 78 CO 0.01 1.07 -0.01 1.28 -1.64 0.00 0.00 178.16 178.87 2i50 n LEU 79 N -3.93 0.20 -4.66 2.82 4.77 0.65 -4.76 117.00 112.10 2i50 n LEU 79 Ca -0.04 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 2i50 n LEU 79 Cb 0.66 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2i50 n LEU 79 CO 0.49 0.03 1.48 -0.89 -1.33 0.00 0.00 177.39 177.17 2i50 s THR 80 N -2.13 3.36 -0.06 -5.08 2.01 0.64 -4.95 115.64 109.44 2i50 s THR 80 Ca 0.42 0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 2i50 s THR 80 Cb 0.21 -3.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2i50 s THR 80 CO 0.39 -0.05 1.07 -2.16 -0.69 0.00 0.00 174.62 173.18 2i50 s PRO 81 N 4.33 4.43 0.22 4.92 0.04 -1.26 -4.98 135.00 142.70 2i50 s PRO 81 Ca 0.80 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 63.29 2i50 s PRO 81 Cb -0.36 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 30.69 2i50 s PRO 81 CO 0.34 -0.29 0.39 2.89 0.04 0.00 0.00 177.00 180.38 2i50 n ARG 82 N 4.73 0.57 -0.03 4.56 1.85 -1.26 -5.06 116.66 122.02 2i50 n ARG 82 Ca 0.09 -1.39 -0.10 0.00 -1.00 0.00 0.00 57.85 55.45 2i50 n ARG 82 Cb 0.48 1.58 -0.14 0.00 -1.05 0.00 0.00 32.46 33.33 2i50 n ARG 82 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2i50 n SER 83 N -1.48 0.89 -4.95 2.89 2.88 -1.26 -4.92 113.62 107.67 2i50 n SER 83 Ca -0.03 0.36 -0.23 0.00 -1.33 0.00 0.00 58.87 57.63 2i50 n SER 83 Cb 0.34 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 63.79 2i50 n SER 83 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2i50 s GLU 84 N -2.58 3.11 -0.08 -1.46 2.02 -1.26 -5.06 118.70 113.39 2i50 s GLU 84 Ca -0.07 -0.42 -0.22 0.00 0.02 0.00 0.00 54.97 54.28 2i50 s GLU 84 Cb 0.08 -2.54 -0.18 0.00 0.10 0.00 0.00 34.13 31.58 2i50 s GLU 84 CO 0.82 -0.26 0.82 -1.00 0.02 0.00 0.00 175.26 175.66 2i50 h PRO 85 N 0.39 -0.09 -6.37 0.39 0.13 -1.91 -3.48 132.00 121.06 2i50 h PRO 85 Ca -0.46 0.01 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2i50 h PRO 85 Cb 1.25 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 2i50 h PRO 85 CO 0.58 0.49 -0.85 0.72 -0.23 0.00 0.00 178.00 178.71 2i50 n HIS 86 N -4.80 -1.80 -0.55 1.56 8.25 -1.26 -4.89 115.22 111.73 2i50 n HIS 86 Ca -0.08 0.80 0.08 0.00 -0.26 0.00 0.00 57.72 58.26 2i50 n HIS 86 Cb 0.30 -3.91 0.27 0.00 1.12 0.00 0.00 29.99 27.77 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 -1.74 2.52 0.02 0.00 1.43 -1.26 -0.68 118.68 118.96 2i50 s LEU 88 Ca 0.40 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2i50 s LEU 88 Cb 0.26 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 2i50 s LEU 88 CO 0.19 0.07 -0.05 0.68 0.23 0.00 0.00 176.35 177.47 2i50 s VAL 89 N 0.91 0.32 0.14 -1.59 -7.23 -0.67 0.31 120.40 112.60 2i50 s VAL 89 Ca -0.03 -0.59 0.07 0.00 -1.81 0.00 0.00 61.98 59.62 2i50 s VAL 89 Cb -0.15 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 2i50 s VAL 89 CO -0.01 -0.18 -0.03 -1.48 -0.31 0.00 0.00 175.10 173.08 2i50 s LEU 90 N -0.82 3.24 -0.07 1.32 0.05 0.87 0.03 118.68 123.31 2i50 s LEU 90 Ca -0.06 -0.37 -0.14 0.00 0.05 0.00 0.00 54.13 53.62 2i50 s LEU 90 Cb -0.06 -1.95 -0.05 0.00 -2.05 0.00 0.00 46.19 42.08 2i50 s LEU 90 CO -0.00 0.13 0.35 -0.94 -0.55 0.00 0.00 176.35 175.34 2i50 s SER 91 N -2.64 6.65 -0.03 1.48 1.04 0.11 -0.05 113.70 120.26 2i50 s SER 91 Ca 0.25 0.77 0.10 0.00 0.48 0.00 0.00 55.95 57.55 2i50 s SER 91 Cb -0.10 -2.21 0.33 0.00 0.10 0.00 0.00 66.02 64.13 2i50 s SER 91 CO 0.17 0.25 1.21 0.18 0.98 0.00 0.00 173.24 176.03 2i50 n LEU 92 N 2.47 2.23 -0.04 2.42 4.77 0.71 -1.89 117.00 127.68 2i50 n LEU 92 Ca -0.13 -1.12 -0.05 0.00 -0.03 0.00 0.00 56.01 54.67 2i50 n LEU 92 Cb 0.52 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 2i50 n LEU 92 CO 0.38 0.46 -0.38 0.47 -1.33 0.00 0.00 177.39 176.98 2i50 n ASP 93 N 0.46 1.27 -0.10 -1.43 9.92 -1.26 -4.75 116.55 120.65 2i50 n ASP 93 Ca 0.12 0.21 0.05 0.00 -0.53 0.00 0.00 54.79 54.63 2i50 n ASP 93 Cb 0.40 -0.58 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 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 -3.76 0.77 -2.90 -2.24 2.85 -1.26 -4.99 115.26 103.72 2i50 n ASN 94 Ca -0.08 -0.88 -0.11 0.00 -0.11 0.00 0.00 54.58 53.40 2i50 n ASN 94 Cb 0.29 0.77 0.05 0.00 1.24 0.00 0.00 39.78 42.14 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 2i50 n TRP 95 N -0.81 -2.04 -4.16 1.20 7.02 -0.79 -5.03 117.44 112.83 2i50 n TRP 95 Ca 0.03 0.72 -0.24 0.00 -1.02 0.00 0.00 57.50 56.98 2i50 n TRP 95 Cb 0.17 -3.80 -0.07 0.00 -2.42 0.00 0.00 31.31 25.19 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 -3.27 4.43 -0.00 -0.99 0.01 -1.25 -4.85 113.70 107.79 2i50 s SER 96 Ca 0.34 -1.00 0.07 0.00 1.31 0.00 0.00 55.95 56.66 2i50 s SER 96 Cb -0.04 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2i50 s SER 96 CO 0.60 -0.44 -0.21 -0.69 0.41 0.00 0.00 173.24 172.91 2i50 s VAL 97 N -2.55 2.55 -0.05 3.43 1.01 -1.25 0.08 120.40 123.63 2i50 s VAL 97 Ca 0.39 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2i50 s VAL 97 Cb 0.02 -1.99 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 2i50 s VAL 97 CO 0.22 0.49 -0.18 0.86 0.00 0.00 0.00 175.10 176.49 2i50 s TRP 98 N -0.75 1.81 -0.25 5.22 -0.11 0.10 -0.13 118.94 124.83 2i50 s TRP 98 Ca 0.12 -0.53 -0.01 0.00 1.22 0.00 0.00 56.10 56.90 2i50 s TRP 98 Cb -0.10 -1.21 0.03 0.00 -1.50 0.00 0.00 33.47 30.68 2i50 s TRP 98 CO 0.01 -0.18 -0.08 0.00 -4.62 0.00 0.00 176.95 172.08 2i50 h TYR 100 N 7.98 0.00 0.00 0.00 0.05 -1.20 0.66 116.97 124.46 2i50 h TYR 100 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 2i50 h TYR 100 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 2i50 h TYR 100 CO 0.58 0.41 -0.51 -0.24 -1.05 0.00 0.00 178.16 177.35 2i50 h VAL 101 N 0.00 0.00 0.04 -2.88 3.04 -1.95 -3.05 116.25 111.45 2i50 h VAL 101 Ca -0.00 -0.70 -0.33 0.00 -1.01 0.00 0.00 66.70 64.66 2i50 h VAL 101 Cb 0.77 1.40 -0.05 0.00 -2.01 0.00 0.00 31.29 31.40 2i50 h VAL 101 CO 0.05 0.00 -1.97 0.00 -1.01 0.00 0.00 177.57 174.65 2i50 n ASP 103 N -3.15 -6.52 -3.00 0.00 2.03 0.23 -5.03 116.55 101.11 2i50 n ASP 103 Ca -0.26 -0.65 -0.08 0.00 0.52 0.00 0.00 54.79 54.32 2i50 n ASP 103 Cb 1.06 -4.60 0.02 0.00 -0.72 0.00 0.00 41.12 36.88 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 -3.29 -0.01 -0.05 1.67 4.22 -1.18 -5.02 114.94 111.28 2i50 s ASN 104 Ca 0.33 -1.09 -0.21 0.00 -2.14 0.00 0.00 52.86 49.75 2i50 s ASN 104 Cb -0.07 0.82 -0.04 0.00 1.28 0.00 0.00 41.25 43.24 2i50 s ASN 104 CO 0.78 -1.62 0.61 -0.70 -2.04 0.00 0.00 177.10 174.13 2i50 s GLU 105 N -2.37 4.37 0.16 3.55 2.12 -1.26 -1.70 118.70 123.57 2i50 s GLU 105 Ca 0.16 0.73 -0.05 0.00 0.36 0.00 0.00 54.97 56.17 2i50 s GLU 105 Cb -0.05 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 2i50 s GLU 105 CO 0.11 0.20 0.41 0.08 -0.54 0.00 0.00 175.26 175.51 2i50 s VAL 106 N 0.39 5.13 -0.12 3.70 1.01 0.82 -4.96 120.40 126.36 2i50 s VAL 106 Ca 0.33 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2i50 s VAL 106 Cb -0.17 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2i50 s VAL 106 CO 0.16 0.01 -0.20 0.00 0.00 0.00 0.00 175.10 175.07 2i50 s GLN 107 N -2.70 3.13 0.12 2.72 0.00 -1.26 -3.79 119.66 117.87 2i50 s GLN 107 Ca 0.42 -0.82 0.02 0.00 -0.00 0.00 0.00 55.36 54.98 2i50 s GLN 107 Cb -0.12 -2.44 -0.04 0.00 0.00 0.00 0.00 33.01 30.41 2i50 s GLN 107 CO 0.24 0.11 -0.05 1.52 0.00 0.00 0.00 175.29 177.11 2i50 s TYR 108 N 0.54 1.01 0.24 9.60 -0.85 -1.26 -4.95 117.35 121.69 2i50 s TYR 108 Ca -0.12 -0.93 0.03 0.00 -0.52 0.00 0.00 57.07 55.53 2i50 s TYR 108 Cb -0.17 -0.57 -0.05 0.00 0.38 0.00 0.00 41.96 41.55 2i50 s TYR 108 CO 0.04 -0.15 0.01 0.00 -1.52 0.00 0.00 175.55 173.93 2i50 h SER 110 N 2.43 0.00 0.23 0.00 0.02 -1.98 -0.50 113.55 113.76 2i50 h SER 110 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2i50 h SER 110 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2i50 h SER 110 CO 0.65 0.00 -0.13 -1.54 -1.14 0.00 0.00 176.83 174.67 2i50 n SER 111 N -2.67 0.79 -4.76 3.07 3.41 -1.26 -4.17 113.62 108.03 2i50 n SER 111 Ca 0.01 -0.86 -0.33 0.00 -0.26 0.00 0.00 58.87 57.43 2i50 n SER 111 Cb 0.26 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 2i50 n SER 111 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2i50 s ASN 112 N -2.37 5.56 0.41 4.04 3.84 -0.20 -4.99 114.94 121.23 2i50 s ASN 112 Ca 0.30 0.10 0.10 0.00 0.21 0.00 0.00 52.86 53.58 2i50 s ASN 112 Cb 0.20 -1.56 0.91 0.00 -0.55 0.00 0.00 41.25 40.24 2i50 s ASN 112 CO 0.46 0.27 1.99 -0.61 -2.79 0.00 0.00 177.10 176.41 2i50 h GLN 113 N 4.08 0.53 -0.51 0.43 4.15 -1.87 0.16 115.11 122.08 2i50 h GLN 113 Ca -0.49 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 58.80 2i50 h GLN 113 Cb 1.18 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2i50 h GLN 113 CO 0.62 0.35 -0.07 1.25 -1.93 0.00 0.00 178.83 179.04 2i50 h LEU 114 N 0.55 0.94 -0.44 -2.39 5.85 -1.95 0.60 115.31 118.47 2i50 h LEU 114 Ca 0.27 -0.34 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 2i50 h LEU 114 Cb 0.34 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2i50 h LEU 114 CO -0.08 1.06 -0.24 1.23 -0.34 0.00 0.00 178.44 180.07 2i50 h GLY 115 N 0.81 1.03 0.60 3.75 0.00 -1.14 0.03 103.07 108.14 2i50 h GLY 115 Ca 0.14 -0.94 0.07 0.00 0.00 0.00 0.00 47.33 46.59 2i50 h GLY 115 CO 0.04 0.86 0.31 1.46 0.00 0.00 0.00 176.54 179.20 2i50 h GLN 116 N 0.78 0.54 0.02 4.80 4.20 -0.39 0.12 115.11 125.18 2i50 h GLN 116 Ca 0.10 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 2i50 h GLN 116 Cb 0.82 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.49 2i50 h GLN 116 CO 0.07 0.36 -0.56 0.28 -0.67 0.00 0.00 178.83 178.31 2i50 h VAL 117 N 0.56 1.47 -0.96 -0.54 2.07 -0.67 -0.05 116.25 118.12 2i50 h VAL 117 Ca 0.29 -2.13 0.12 0.00 0.82 0.00 0.00 66.70 65.80 2i50 h VAL 117 Cb 0.24 2.72 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 2i50 h VAL 117 CO -0.22 0.61 0.61 0.58 0.02 0.00 0.00 177.57 179.17 2i50 h VAL 118 N -0.22 0.92 -0.38 2.57 2.07 -0.85 0.41 116.25 120.76 2i50 h VAL 118 Ca -0.08 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 66.97 2i50 h VAL 118 Cb 1.30 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2i50 h VAL 118 CO 0.11 0.17 -0.38 -0.78 0.02 0.00 0.00 177.57 176.71 2i50 h ASP 119 N 0.92 0.97 0.19 0.57 3.58 -0.63 0.36 116.42 122.38 2i50 h ASP 119 Ca 0.47 -0.44 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2i50 h ASP 119 Cb 0.51 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2i50 h ASP 119 CO -0.23 1.23 -0.09 0.22 -2.88 0.00 0.00 179.24 177.49 2i50 h TYR 120 N 0.75 -0.23 0.00 0.28 3.20 0.17 -1.18 116.97 119.96 2i50 h TYR 120 Ca 0.06 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 2i50 h TYR 120 Cb 0.96 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2i50 h TYR 120 CO 0.06 -0.03 -0.48 0.28 -1.64 0.00 0.00 178.16 176.34 2i50 h VAL 121 N -0.40 1.35 -0.19 1.81 2.07 -0.06 0.99 116.25 121.82 2i50 h VAL 121 Ca -0.03 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 65.73 2i50 h VAL 121 Cb 0.31 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2i50 h VAL 121 CO 0.04 0.48 -0.31 -0.09 0.02 0.00 0.00 177.57 177.70 2i50 h ARG 122 N 0.00 0.37 0.00 1.57 2.43 -0.10 0.23 114.38 118.88 2i50 h ARG 122 Ca -0.00 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2i50 h ARG 122 Cb 0.86 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2i50 h ARG 122 CO 0.06 0.65 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.74 2i50 h LYS 123 N 0.33 0.00 0.04 0.20 3.64 0.12 0.33 116.57 121.23 2i50 h LYS 123 Ca 0.04 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2i50 h LYS 123 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2i50 h LYS 123 CO 0.05 0.21 -0.02 1.96 -2.27 0.00 0.00 179.45 179.39 2i50 h GLN 124 N 0.00 -0.05 0.08 1.90 1.08 0.77 -3.33 115.11 115.55 2i50 h GLN 124 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2i50 h GLN 124 Cb 1.04 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2i50 h GLN 124 CO 0.03 0.57 -0.04 0.00 -0.95 0.00 0.00 178.83 178.44 2i50 h ALA 125 N 0.12 -0.10 0.00 3.87 0.00 -0.70 -3.51 119.26 118.94 2i50 h ALA 125 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2i50 h ALA 125 Cb 0.65 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2i50 h ALA 125 CO 0.01 -0.31 0.00 0.45 0.00 0.00 0.00 179.25 179.40