#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 4.45 -0.19 0.52 0.11 -1.26 -4.66 120.40 119.36 2i50 s VAL 6 Ca 0.00 1.52 -0.07 0.00 -2.93 0.00 0.00 61.98 60.50 2i50 s VAL 6 Cb 0.00 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2i50 s VAL 6 CO 0.00 0.32 0.05 0.00 -3.33 0.00 0.00 175.10 172.14 2i50 n ARG 8 N 3.76 2.96 -0.99 0.00 3.00 -1.26 -4.45 116.66 119.68 2i50 n ARG 8 Ca -0.17 -2.34 -0.08 0.00 -0.01 0.00 0.00 57.85 55.25 2i50 n ARG 8 Cb 0.52 -1.47 0.26 0.00 0.00 0.00 0.00 32.46 31.78 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 0.44 2.29 0.23 -1.55 8.25 -1.26 -4.66 115.22 118.95 2i50 n HIS 9 Ca 0.16 -1.36 -0.15 0.00 -0.26 0.00 0.00 57.72 56.10 2i50 n HIS 9 Cb 0.58 -0.69 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 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 2.04 0.61 0.00 1.59 1.08 -1.95 0.11 117.51 121.00 2i50 h ILE 10 Ca 0.32 -0.11 -0.06 0.00 -0.39 0.00 0.00 64.86 64.62 2i50 h ILE 10 Cb 2.29 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 2i50 h ILE 10 CO 0.73 0.02 -0.29 0.03 -0.69 0.00 0.00 178.15 177.95 2i50 h ARG 11 N -0.59 0.00 -0.01 2.37 3.08 -1.83 0.43 114.38 117.82 2i50 h ARG 11 Ca -0.05 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.77 2i50 h ARG 11 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2i50 h ARG 11 CO 0.09 0.29 -0.93 0.87 -1.07 0.00 0.00 179.97 179.22 2i50 h LYS 12 N 0.00 0.47 -0.01 0.04 1.57 -1.73 -3.33 116.57 113.58 2i50 h LYS 12 Ca -0.00 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2i50 h LYS 12 Cb 0.69 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2i50 h LYS 12 CO 0.04 1.13 -0.12 0.41 -0.57 0.00 0.00 179.45 180.34 2i50 n GLY 13 N 0.92 -0.17 2.87 3.86 0.00 -0.03 -4.48 105.19 108.17 2i50 n GLY 13 Ca -0.07 -0.35 -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 -1.37 1.31 -0.56 0.99 0.20 0.13 -1.00 118.68 118.38 2i50 s LEU 14 Ca 0.12 -0.47 0.04 0.00 0.69 0.00 0.00 54.13 54.52 2i50 s LEU 14 Cb 0.10 -0.82 0.14 0.00 -0.43 0.00 0.00 46.19 45.18 2i50 s LEU 14 CO 0.22 -0.17 0.31 -0.70 -0.29 0.00 0.00 176.35 175.73 2i50 s GLU 15 N 1.71 2.08 0.18 1.98 2.56 -0.52 -4.33 118.70 122.35 2i50 s GLU 15 Ca 0.03 -2.78 -0.18 0.00 0.00 0.00 0.00 54.97 52.03 2i50 s GLU 15 Cb -0.14 -3.33 0.12 0.00 2.00 0.00 0.00 34.13 32.77 2i50 s GLU 15 CO -0.08 -1.15 1.63 1.96 -0.56 0.00 0.00 175.26 177.07 2i50 h GLN 16 N 6.26 -0.11 -0.18 4.30 4.20 -1.89 -1.75 115.11 125.93 2i50 h GLN 16 Ca -0.03 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2i50 h GLN 16 Cb 0.86 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2i50 h GLN 16 CO 0.69 -0.07 -0.20 0.78 -0.67 0.00 0.00 178.83 179.36 2i50 h GLY 17 N -0.11 0.34 1.78 3.46 0.00 -1.97 -1.92 103.07 104.66 2i50 h GLY 17 Ca 0.21 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 2i50 h GLY 17 CO -0.51 0.23 -0.79 -0.57 0.00 0.00 0.00 176.54 174.89 2i50 h ASN 18 N 0.29 0.25 -0.49 0.19 -1.24 -1.70 -3.29 115.58 109.60 2i50 h ASN 18 Ca 0.05 -0.19 0.03 0.00 0.71 0.00 0.00 56.30 56.91 2i50 h ASN 18 Cb 0.52 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.46 2i50 h ASN 18 CO 0.03 0.94 0.26 -0.07 -1.29 0.00 0.00 177.43 177.31 2i50 h LEU 19 N 0.12 0.40 -1.34 0.34 -0.00 -0.52 -1.99 115.31 112.34 2i50 h LEU 19 Ca -0.03 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.93 2i50 h LEU 19 Cb 1.39 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.93 2i50 h LEU 19 CO 0.12 0.28 0.50 0.11 -0.00 0.00 0.00 178.44 179.45 2i50 h LYS 20 N 0.52 0.78 0.01 1.13 6.56 -1.61 -0.57 116.57 123.39 2i50 h LYS 20 Ca 0.21 -0.05 -0.19 0.00 -1.06 0.00 0.00 60.65 59.56 2i50 h LYS 20 Cb 0.08 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.54 2i50 h LYS 20 CO -0.12 0.52 -0.89 0.87 -2.06 0.00 0.00 179.45 177.76 2i50 h LYS 21 N 0.80 0.05 0.17 3.15 1.79 -1.53 -2.96 116.57 118.05 2i50 h LYS 21 Ca 0.33 -0.07 -0.30 0.00 -2.18 0.00 0.00 60.65 58.44 2i50 h LYS 21 Cb 0.25 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2i50 h LYS 21 CO -0.11 0.91 -1.33 0.00 -1.08 0.00 0.00 179.45 177.83 2i50 h ALA 22 N 1.07 0.03 0.00 3.86 0.00 -0.69 -3.17 119.26 120.36 2i50 h ALA 22 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2i50 h ALA 22 Cb 1.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2i50 h ALA 22 CO 0.12 0.90 0.00 1.28 0.00 0.00 0.00 179.25 181.55 2i50 n LEU 23 N -3.58 0.00 -0.22 0.00 4.77 -0.32 -0.79 117.00 116.87 2i50 n LEU 23 Ca -0.11 0.36 -0.06 0.00 -0.03 0.00 0.00 56.01 56.17 2i50 n LEU 23 Cb 1.05 -0.36 0.09 0.00 -2.33 0.00 0.00 43.42 41.86 2i50 n LEU 23 CO 0.56 -0.04 0.94 0.58 -1.33 0.00 0.00 177.39 178.09 2i50 h VAL 24 N 0.00 1.26 -0.49 4.08 2.07 -1.48 -3.27 116.25 118.40 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 0.32 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2i50 h VAL 24 CO 0.00 0.36 0.00 0.59 0.02 0.00 0.00 177.57 178.54 2i50 n ASN 25 N -4.23 4.97 -4.84 0.57 3.02 0.03 -4.97 115.26 109.81 2i50 n ASN 25 Ca 0.05 -2.84 -0.36 0.00 -0.03 0.00 0.00 54.58 51.39 2i50 n ASN 25 Cb 0.26 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 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 -2.56 4.90 -0.62 2.41 -7.23 -1.10 -5.01 120.40 111.20 2i50 s VAL 26 Ca 0.50 0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 61.37 2i50 s VAL 26 Cb 0.37 -3.74 0.16 0.00 0.56 0.00 0.00 36.38 33.73 2i50 s VAL 26 CO 0.16 0.36 0.54 -0.70 -0.31 0.00 0.00 175.10 175.14 2i50 s GLU 27 N -1.67 3.01 0.12 4.82 2.56 -1.26 -5.04 118.70 121.24 2i50 s GLU 27 Ca 0.33 -2.02 -0.34 0.00 0.00 0.00 0.00 54.97 52.95 2i50 s GLU 27 Cb -0.16 -4.20 -0.13 0.00 2.00 0.00 0.00 34.13 31.64 2i50 s GLU 27 CO 0.18 -1.27 1.67 0.91 -0.56 0.00 0.00 175.26 176.19 2i50 n TRP 28 N 4.63 2.35 -1.89 5.30 5.03 -1.26 -1.47 117.44 130.14 2i50 n TRP 28 Ca -0.02 0.16 -0.13 0.00 3.03 0.00 0.00 57.50 60.54 2i50 n TRP 28 Cb 0.42 -2.59 -0.03 0.00 -1.03 0.00 0.00 31.31 28.08 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 4.25 -4.20 -3.71 -0.99 2.85 -1.26 -4.98 115.26 107.23 2i50 n ASN 29 Ca 0.18 0.12 -0.26 0.00 -0.11 0.00 0.00 54.58 54.51 2i50 n ASN 29 Cb 0.30 -3.16 -0.17 0.00 1.24 0.00 0.00 39.78 38.00 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 -2.56 0.32 -0.43 -1.44 1.01 -0.54 -4.97 121.20 112.58 2i50 s ILE 30 Ca 0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 60.65 60.01 2i50 s ILE 30 Cb 0.00 -0.80 -0.12 0.00 0.01 0.00 0.00 42.46 41.56 2i50 s ILE 30 CO 0.00 -0.13 2.28 0.00 0.00 0.00 0.00 174.94 177.09 2i50 h GLN 32 N 13.50 0.00 0.00 0.00 3.07 -1.36 0.20 115.11 130.52 2i50 h GLN 32 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.49 2i50 h GLN 32 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 2i50 h GLN 32 CO 1.08 0.00 0.00 -3.47 0.09 0.00 0.00 178.83 176.53 2i50 n ASP 33 N -4.09 0.61 0.07 0.06 2.03 -1.16 -0.13 116.55 113.94 2i50 n ASP 33 Ca -0.02 0.59 -0.22 0.00 0.52 0.00 0.00 54.79 55.66 2i50 n ASP 33 Cb 0.12 -0.74 -0.15 0.00 -0.72 0.00 0.00 41.12 39.62 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 -0.14 0.39 -0.66 0.00 2.10 -1.23 -3.28 116.57 113.74 2i50 h LYS 35 Ca -0.24 -0.66 -0.17 0.00 -2.00 0.00 0.00 60.65 57.58 2i50 h LYS 35 Cb 1.88 0.25 -0.10 0.00 -0.90 0.00 0.00 32.23 33.36 2i50 h LYS 35 CO 0.17 1.32 0.20 0.25 -2.00 0.00 0.00 179.45 179.39 2i50 n THR 36 N -3.93 2.85 0.22 0.07 -2.24 0.81 -4.56 114.28 107.51 2i50 n THR 36 Ca -0.17 -1.70 -0.15 0.00 -2.27 0.00 0.00 64.05 59.76 2i50 n THR 36 Cb 0.95 -0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 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 2.68 -0.60 0.00 3.42 3.58 -1.62 -3.46 116.42 120.42 2i50 h ASP 37 Ca 0.21 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2i50 h ASP 37 Cb 2.19 0.18 0.00 0.00 1.72 0.00 0.00 39.33 43.42 2i50 h ASP 37 CO 0.65 -0.37 0.00 -3.20 -2.88 0.00 0.00 179.24 173.44 2i50 n ASN 38 N -5.37 0.00 0.26 2.28 4.05 -1.26 -4.63 115.26 110.59 2i50 n ASN 38 Ca -0.10 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 54.77 2i50 n ASN 38 Cb 0.27 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 41.20 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 2i50 h LYS 39 N 0.00 -0.75 -5.92 1.20 1.57 -1.97 -3.38 116.57 107.31 2i50 h LYS 39 Ca 0.00 0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 58.22 2i50 h LYS 39 Cb 0.00 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 2i50 h LYS 39 CO 0.00 -0.50 -0.22 0.08 -0.57 0.00 0.00 179.45 178.24 2i50 s VAL 40 N -6.01 5.09 -0.05 0.50 1.01 -1.26 -5.03 120.40 114.66 2i50 s VAL 40 Ca -0.17 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 62.61 2i50 s VAL 40 Cb 0.05 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 2i50 s VAL 40 CO 0.63 0.54 -0.00 0.11 0.00 0.00 0.00 175.10 176.37 2i50 h LYS 41 N 5.11 0.00 0.00 2.72 1.57 -1.99 -3.44 116.57 120.54 2i50 h LYS 41 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2i50 h LYS 41 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2i50 h LYS 41 CO 0.64 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.27 2i50 n ASP 42 N -3.25 0.00 -1.10 0.86 8.00 -1.26 -4.91 116.55 114.89 2i50 n ASP 42 Ca -0.00 0.41 -0.14 0.00 0.71 0.00 0.00 54.79 55.76 2i50 n ASP 42 Cb 0.01 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.12 40.71 2i50 n ASP 42 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2i50 n LYS 43 N -1.51 -1.24 0.00 -1.24 5.02 -1.26 -4.90 118.16 113.02 2i50 n LYS 43 Ca 0.00 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 2i50 n LYS 43 Cb 0.00 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 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 1.27 0.00 0.23 7.82 0.00 -1.26 -4.21 120.51 124.36 2i50 n ALA 44 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2i50 n ALA 44 Cb 0.53 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.46 2i50 n ALA 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2i50 h GLU 45 N 0.00 0.00 -0.00 0.00 4.39 -2.00 -2.25 114.58 114.72 2i50 h GLU 45 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2i50 h GLU 45 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2i50 h GLU 45 CO 0.00 0.15 -0.28 -0.85 -1.16 0.00 0.00 179.01 176.87 2i50 n GLU 46 N -3.27 0.24 -3.51 2.33 0.00 -1.26 -4.13 120.64 111.04 2i50 n GLU 46 Ca 0.01 -0.11 -0.27 0.00 0.00 0.00 0.00 57.16 56.79 2i50 n GLU 46 Cb 0.42 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.26 2i50 n GLU 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2i50 n GLU 47 N -1.28 0.88 -3.55 3.44 2.13 -0.85 -4.97 120.64 116.44 2i50 n GLU 47 Ca 0.08 -3.65 -0.28 0.00 0.66 0.00 0.00 57.16 53.97 2i50 n GLU 47 Cb 0.33 -1.82 -0.11 0.00 0.27 0.00 0.00 31.44 30.10 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 -0.71 0.99 0.72 6.31 2.01 -1.23 -4.62 115.64 119.11 2i50 s THR 48 Ca 0.32 -2.88 -0.05 0.00 0.31 0.00 0.00 61.69 59.38 2i50 s THR 48 Cb 0.04 -1.68 0.09 0.00 0.01 0.00 0.00 72.50 70.96 2i50 s THR 48 CO -0.17 -1.12 1.02 -1.61 -0.69 0.00 0.00 174.62 172.05 2i50 s GLU 49 N -0.11 1.91 -0.01 4.92 0.41 -1.26 -5.05 118.70 119.51 2i50 s GLU 49 Ca 0.28 -0.55 -0.04 0.00 -0.41 0.00 0.00 54.97 54.24 2i50 s GLU 49 Cb -0.05 -2.21 -0.02 0.00 -1.78 0.00 0.00 34.13 30.07 2i50 s GLU 49 CO -0.14 -1.37 0.52 0.93 -0.49 0.00 0.00 175.26 174.71 2i50 h GLU 50 N -0.63 -0.15 -2.77 1.61 5.08 -1.99 -3.42 114.58 112.32 2i50 h GLU 50 Ca -0.42 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.35 2i50 h GLU 50 Cb 1.29 0.03 -0.39 0.00 0.50 0.00 0.00 28.75 30.18 2i50 h GLU 50 CO 0.51 -0.10 -0.80 -1.59 -1.00 0.00 0.00 179.01 176.04 2i50 s LYS 51 N -2.32 0.96 0.20 2.33 0.00 -1.26 -5.10 119.74 114.55 2i50 s LYS 51 Ca -0.02 -1.75 -0.30 0.00 0.00 0.00 0.00 55.97 53.90 2i50 s LYS 51 Cb 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 37.83 35.91 2i50 s LYS 51 CO 0.07 -1.20 1.17 -1.25 0.00 0.00 0.00 175.35 174.14 2i50 s PRO 52 N 0.61 4.52 0.54 1.78 0.04 -1.26 -4.99 135.00 136.23 2i50 s PRO 52 Ca 0.19 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 2i50 s PRO 52 Cb -0.21 -3.23 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 2i50 s PRO 52 CO -0.01 -0.02 1.09 -1.54 0.04 0.00 0.00 177.00 176.56 2i50 s SER 53 N -0.08 5.88 -0.23 6.66 1.04 -1.26 -4.84 113.70 120.86 2i50 s SER 53 Ca 0.51 2.04 0.02 0.00 0.48 0.00 0.00 55.95 59.00 2i50 s SER 53 Cb -0.32 -2.57 0.05 0.00 0.10 0.00 0.00 66.02 63.28 2i50 s SER 53 CO 0.38 -1.10 -0.11 -0.69 0.98 0.00 0.00 173.24 172.70 2i50 s VAL 54 N -1.96 1.93 -0.20 5.02 1.01 -1.26 0.52 120.40 125.45 2i50 s VAL 54 Ca 0.70 -1.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 2i50 s VAL 54 Cb -0.20 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2i50 s VAL 54 CO 0.27 0.06 0.01 0.26 0.00 0.00 0.00 175.10 175.69 2i50 s TRP 55 N 1.24 3.04 -0.25 5.22 0.52 0.14 -0.11 118.94 128.75 2i50 s TRP 55 Ca -0.05 -0.46 -0.11 0.00 0.02 0.00 0.00 56.10 55.50 2i50 s TRP 55 Cb -0.18 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2i50 s TRP 55 CO -0.07 -0.25 0.17 -1.17 0.02 0.00 0.00 176.95 175.65 2i50 s LEU 56 N 1.05 4.09 -0.22 2.99 2.96 0.82 -0.42 118.68 129.96 2i50 s LEU 56 Ca 0.02 0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 2i50 s LEU 56 Cb -0.14 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 2i50 s LEU 56 CO 0.02 0.03 2.05 0.00 -1.32 0.00 0.00 176.35 177.13 2i50 n LEU 58 N 10.72 0.00 -0.01 0.00 4.77 0.21 0.39 117.00 133.08 2i50 n LEU 58 Ca 0.26 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.39 2i50 n LEU 58 Cb 0.45 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 2i50 n LEU 58 CO 0.67 -0.16 -0.52 0.50 -1.33 0.00 0.00 177.39 176.55 2i50 h LYS 59 N 0.00 0.22 0.00 3.23 1.63 -1.16 -1.39 116.57 119.09 2i50 h LYS 59 Ca 0.00 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 2i50 h LYS 59 Cb 0.20 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2i50 h LYS 59 CO 0.00 1.18 0.00 0.00 -3.45 0.00 0.00 179.45 177.18 2i50 n GLY 61 N -0.07 0.65 3.65 0.00 0.00 0.16 -4.69 105.19 104.90 2i50 n GLY 61 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.02 2.67 -0.26 1.61 5.04 -1.24 -4.75 115.29 116.34 2i50 s HIS 62 Ca 0.00 0.87 -0.13 0.00 -1.54 0.00 0.00 55.06 54.25 2i50 s HIS 62 Cb 0.00 -3.70 -0.04 0.00 0.04 0.00 0.00 32.58 28.88 2i50 s HIS 62 CO 0.00 -1.97 0.30 -1.14 -2.34 0.00 0.00 174.74 169.59 2i50 s GLN 63 N 3.84 4.02 0.20 2.88 0.74 -1.26 -0.03 119.66 130.05 2i50 s GLN 63 Ca 0.58 -0.08 0.04 0.00 0.05 0.00 0.00 55.36 55.96 2i50 s GLN 63 Cb -0.21 -3.63 -0.05 0.00 1.10 0.00 0.00 33.01 30.22 2i50 s GLN 63 CO 0.19 -0.18 -0.05 0.20 -0.55 0.00 0.00 175.29 174.90 2i50 s GLY 64 N 1.54 1.39 -0.00 2.59 0.00 0.44 -1.01 107.32 112.26 2i50 s GLY 64 Ca 0.12 -1.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.07 2i50 s GLY 64 CO 0.09 -1.66 0.32 0.00 0.00 0.00 0.00 173.10 171.85 2i50 n GLY 66 N 1.45 -2.58 0.00 0.00 0.00 0.18 -2.02 105.19 102.22 2i50 n GLY 66 Ca -0.13 -1.46 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 -2.78 0.18 -0.82 1.61 1.85 -1.26 -2.31 116.66 113.13 2i50 n ARG 67 Ca 0.06 0.16 0.04 0.00 -1.00 0.00 0.00 57.85 57.10 2i50 n ARG 67 Cb 0.22 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.47 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 -1.32 4.91 -2.88 2.89 6.94 -1.26 -4.91 115.26 119.63 2i50 n ASN 68 Ca 0.07 -3.07 -0.07 0.00 -0.02 0.00 0.00 54.58 51.48 2i50 n ASN 68 Cb 0.13 -0.67 0.01 0.00 -2.36 0.00 0.00 39.78 36.89 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 0.05 1.09 -0.00 0.53 3.41 -0.98 -4.68 113.62 113.04 2i50 n SER 69 Ca 0.30 -1.53 -0.19 0.00 -0.26 0.00 0.00 58.87 57.19 2i50 n SER 69 Cb 1.17 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.19 0.05 4.33 4.15 -1.91 -3.39 115.11 118.54 2i50 h GLN 70 Ca -0.09 -0.33 -0.31 0.00 0.77 0.00 0.00 58.65 58.69 2i50 h GLN 70 Cb 0.39 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 2i50 h GLN 70 CO 0.14 1.16 -1.72 0.93 -1.93 0.00 0.00 178.83 177.41 2i50 h GLU 71 N -0.56 0.11 -5.74 1.69 4.39 -1.96 -3.49 114.58 109.02 2i50 h GLU 71 Ca -0.16 -0.19 -0.33 0.00 0.34 0.00 0.00 59.36 59.02 2i50 h GLU 71 Cb 1.48 0.07 0.15 0.00 -0.10 0.00 0.00 28.75 30.35 2i50 h GLU 71 CO 0.07 0.82 -0.86 1.04 -1.16 0.00 0.00 179.01 178.92 2i50 n GLN 72 N -3.25 -3.24 -0.05 2.33 6.02 -1.26 -4.68 117.38 113.24 2i50 n GLN 72 Ca -0.20 0.74 0.11 0.00 -0.01 0.00 0.00 57.00 57.64 2i50 n GLN 72 Cb 1.04 -5.39 0.50 0.00 1.02 0.00 0.00 30.24 27.41 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 -1.51 0.41 -0.32 1.08 3.86 -1.76 0.53 115.15 117.44 2i50 h HIS 73 Ca -0.62 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 58.51 2i50 h HIS 73 Cb 1.33 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 2i50 h HIS 73 CO 0.36 0.21 -0.20 0.00 0.86 0.00 0.00 177.93 179.16 2i50 h ALA 74 N 1.72 1.06 0.07 2.45 0.00 -1.68 0.11 119.26 122.99 2i50 h ALA 74 Ca 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2i50 h ALA 74 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2i50 h ALA 74 CO -0.06 0.57 -0.03 -0.07 0.00 0.00 0.00 179.25 179.65 2i50 h LEU 75 N 0.53 -0.08 -1.81 0.00 -0.00 -1.18 -1.25 115.31 111.52 2i50 h LEU 75 Ca 0.08 -0.43 0.08 0.00 -0.00 0.00 0.00 57.88 57.61 2i50 h LEU 75 Cb 0.64 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 2i50 h LEU 75 CO 0.05 0.42 0.30 0.11 -0.00 0.00 0.00 178.44 179.31 2i50 h LYS 76 N -0.61 0.22 -0.08 1.13 1.57 -0.99 0.13 116.57 117.95 2i50 h LYS 76 Ca -0.01 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2i50 h LYS 76 Cb 0.51 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2i50 h LYS 76 CO 0.02 0.14 -0.56 1.25 -0.57 0.00 0.00 179.45 179.73 2i50 h HIS 77 N 0.22 0.29 -0.01 -1.35 2.76 -0.39 0.27 115.15 116.94 2i50 h HIS 77 Ca 0.20 -0.10 -0.23 0.00 -2.20 0.00 0.00 60.37 58.03 2i50 h HIS 77 Cb 0.49 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 29.41 2i50 h HIS 77 CO -0.00 0.73 -0.96 -0.92 -1.30 0.00 0.00 177.93 175.49 2i50 h TYR 78 N 0.18 0.73 0.00 5.26 3.20 -0.11 -3.14 116.97 123.09 2i50 h TYR 78 Ca 0.00 -0.39 0.00 0.00 3.14 0.00 0.00 58.73 61.48 2i50 h TYR 78 Cb 1.03 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2i50 h TYR 78 CO 0.02 1.22 0.00 1.28 -1.64 0.00 0.00 178.16 179.04 2i50 n LEU 79 N -3.78 0.00 -4.68 2.82 4.77 0.36 -4.70 117.00 111.79 2i50 n LEU 79 Ca -0.08 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 2i50 n LEU 79 Cb 0.84 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2i50 n LEU 79 CO 0.52 -0.00 1.39 -0.89 -1.33 0.00 0.00 177.39 177.08 2i50 s THR 80 N -2.20 3.13 -1.18 -5.08 2.01 0.89 -4.87 115.64 108.34 2i50 s THR 80 Ca 0.40 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.61 2i50 s THR 80 Cb 0.21 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 2i50 s THR 80 CO 0.39 -0.02 1.85 -2.16 -0.69 0.00 0.00 174.62 173.99 2i50 s PRO 81 N 3.28 3.00 0.13 4.92 0.04 -1.26 -4.89 135.00 140.22 2i50 s PRO 81 Ca 0.77 -1.33 0.07 0.00 0.04 0.00 0.00 61.00 60.55 2i50 s PRO 81 Cb -0.39 -5.32 -0.04 0.00 0.04 0.00 0.00 34.50 28.79 2i50 s PRO 81 CO 0.33 -3.32 -0.08 -0.98 0.04 0.00 0.00 177.00 172.99 2i50 s ARG 82 N 5.78 2.16 0.10 4.56 1.70 -1.26 -5.04 118.95 126.95 2i50 s ARG 82 Ca 0.63 -1.09 -0.14 0.00 -0.47 0.00 0.00 55.73 54.67 2i50 s ARG 82 Cb 0.00 -2.29 -0.14 0.00 -0.57 0.00 0.00 34.95 31.96 2i50 s ARG 82 CO 0.09 0.48 1.32 1.03 -1.08 0.00 0.00 175.30 177.15 2i50 h SER 83 N 3.30 0.89 -4.28 -2.89 0.87 -2.02 -3.44 113.55 105.98 2i50 h SER 83 Ca -0.48 -0.60 -0.51 0.00 -1.23 0.00 0.00 61.79 58.97 2i50 h SER 83 Cb 1.18 -0.26 0.11 0.00 -0.44 0.00 0.00 62.40 62.99 2i50 h SER 83 CO 0.54 1.33 0.34 -1.61 -0.53 0.00 0.00 176.83 176.90 2i50 s GLU 84 N -3.88 2.57 -0.07 2.24 0.41 -1.26 -5.02 118.70 113.69 2i50 s GLU 84 Ca -0.11 1.19 -0.09 0.00 -0.41 0.00 0.00 54.97 55.55 2i50 s GLU 84 Cb 0.08 -1.93 -0.06 0.00 -1.78 0.00 0.00 34.13 30.44 2i50 s GLU 84 CO 0.88 -1.41 0.36 -1.00 -0.49 0.00 0.00 175.26 173.61 2i50 h PRO 85 N -0.67 -0.24 -5.33 0.39 0.13 -1.86 -3.48 132.00 120.94 2i50 h PRO 85 Ca -0.45 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.29 2i50 h PRO 85 Cb 1.23 0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.43 2i50 h PRO 85 CO 0.53 -0.10 -0.64 0.72 -0.23 0.00 0.00 178.00 178.28 2i50 n HIS 86 N -4.94 -2.15 -0.30 1.56 8.25 -1.26 -4.86 115.22 111.52 2i50 n HIS 86 Ca -0.04 0.67 0.09 0.00 -0.26 0.00 0.00 57.72 58.19 2i50 n HIS 86 Cb 0.13 -4.10 0.32 0.00 1.12 0.00 0.00 29.99 27.45 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 -1.45 2.21 0.00 0.00 1.43 -1.26 -0.78 118.68 118.83 2i50 s LEU 88 Ca 0.46 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2i50 s LEU 88 Cb 0.28 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2i50 s LEU 88 CO 0.25 0.02 -0.05 0.68 0.23 0.00 0.00 176.35 177.48 2i50 s VAL 89 N 1.18 0.41 0.08 -1.59 -7.23 -0.65 0.65 120.40 113.24 2i50 s VAL 89 Ca 0.02 -0.32 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 2i50 s VAL 89 Cb -0.14 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 2i50 s VAL 89 CO -0.09 0.05 -0.00 -1.48 -0.31 0.00 0.00 175.10 173.26 2i50 s LEU 90 N -0.30 3.45 0.03 1.32 0.05 0.66 0.11 118.68 124.00 2i50 s LEU 90 Ca 0.00 -0.16 -0.19 0.00 0.05 0.00 0.00 54.13 53.83 2i50 s LEU 90 Cb -0.03 -2.16 -0.06 0.00 -2.05 0.00 0.00 46.19 41.89 2i50 s LEU 90 CO -0.00 0.19 0.56 -0.94 -0.55 0.00 0.00 176.35 175.61 2i50 s SER 91 N -2.20 7.00 -0.05 1.48 1.04 0.96 -0.12 113.70 121.80 2i50 s SER 91 Ca 0.25 1.18 0.10 0.00 0.48 0.00 0.00 55.95 57.96 2i50 s SER 91 Cb -0.12 -2.35 0.38 0.00 0.10 0.00 0.00 66.02 64.04 2i50 s SER 91 CO 0.17 0.21 1.24 0.18 0.98 0.00 0.00 173.24 176.02 2i50 n LEU 92 N 2.16 2.63 -0.02 2.42 4.77 0.85 -2.14 117.00 127.66 2i50 n LEU 92 Ca -0.09 -1.32 -0.04 0.00 -0.03 0.00 0.00 56.01 54.53 2i50 n LEU 92 Cb 0.51 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2i50 n LEU 92 CO 0.42 0.50 -0.29 0.47 -1.33 0.00 0.00 177.39 177.15 2i50 n ASP 93 N 0.53 1.23 -0.55 -1.43 9.92 -1.26 -4.74 116.55 120.25 2i50 n ASP 93 Ca 0.14 0.19 0.09 0.00 -0.53 0.00 0.00 54.79 54.68 2i50 n ASP 93 Cb 0.49 -0.50 0.04 0.00 -0.64 0.00 0.00 41.12 40.51 2i50 n ASP 93 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2i50 n ASN 94 N -3.70 2.09 -3.38 -2.24 3.02 -1.26 -4.96 115.26 104.84 2i50 n ASN 94 Ca -0.06 -1.55 -0.24 0.00 -0.03 0.00 0.00 54.58 52.70 2i50 n ASN 94 Cb 0.22 0.24 0.05 0.00 -0.61 0.00 0.00 39.78 39.68 2i50 n ASN 94 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2i50 n TRP 95 N 0.45 -2.37 -2.82 3.10 7.02 -0.91 -5.00 117.44 116.91 2i50 n TRP 95 Ca 0.09 0.76 -0.21 0.00 -1.02 0.00 0.00 57.50 57.13 2i50 n TRP 95 Cb 0.40 -4.56 0.06 0.00 -2.42 0.00 0.00 31.31 24.80 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 -3.02 5.01 0.06 -0.99 0.01 -1.25 -4.78 113.70 108.74 2i50 s SER 96 Ca 0.47 -0.47 0.09 0.00 1.31 0.00 0.00 55.95 57.34 2i50 s SER 96 Cb -0.21 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 2i50 s SER 96 CO 0.58 -1.36 -0.24 -0.69 0.41 0.00 0.00 173.24 171.94 2i50 s VAL 97 N -2.77 1.93 -0.05 3.43 1.01 -1.20 -0.03 120.40 122.71 2i50 s VAL 97 Ca 0.61 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2i50 s VAL 97 Cb -0.07 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.64 2i50 s VAL 97 CO 0.39 0.23 -0.16 0.86 0.00 0.00 0.00 175.10 176.43 2i50 s TRP 98 N -0.86 1.66 -0.23 5.22 -0.11 0.12 -0.11 118.94 124.62 2i50 s TRP 98 Ca 0.10 -0.54 0.01 0.00 1.22 0.00 0.00 56.10 56.88 2i50 s TRP 98 Cb -0.10 -1.15 0.03 0.00 -1.50 0.00 0.00 33.47 30.76 2i50 s TRP 98 CO 0.03 -0.22 -0.12 0.00 -4.62 0.00 0.00 176.95 172.01 2i50 h TYR 100 N 7.91 0.00 0.00 0.00 0.05 -1.24 0.43 116.97 124.12 2i50 h TYR 100 Ca -0.33 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.36 2i50 h TYR 100 Cb 1.10 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.82 2i50 h TYR 100 CO 0.56 0.41 -0.89 -0.24 -1.05 0.00 0.00 178.16 176.95 2i50 h VAL 101 N 0.00 0.41 0.02 -2.88 3.04 -1.95 -3.02 116.25 111.87 2i50 h VAL 101 Ca -0.00 -1.68 -0.24 0.00 -1.01 0.00 0.00 66.70 63.77 2i50 h VAL 101 Cb 0.72 2.00 -0.03 0.00 -2.01 0.00 0.00 31.29 31.98 2i50 h VAL 101 CO 0.05 0.23 -1.16 0.00 -1.01 0.00 0.00 177.57 175.69 2i50 n ASP 103 N -3.34 -3.27 -2.88 0.00 2.03 0.15 -4.92 116.55 104.32 2i50 n ASP 103 Ca -0.04 -0.45 -0.10 0.00 0.52 0.00 0.00 54.79 54.71 2i50 n ASP 103 Cb 0.97 -3.99 0.01 0.00 -0.72 0.00 0.00 41.12 37.40 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 -3.74 0.27 -0.18 1.67 4.22 -1.16 -5.03 114.94 111.00 2i50 s ASN 104 Ca 0.17 -1.29 -0.21 0.00 -2.14 0.00 0.00 52.86 49.38 2i50 s ASN 104 Cb -0.07 0.83 -0.03 0.00 1.28 0.00 0.00 41.25 43.26 2i50 s ASN 104 CO 0.55 -1.65 0.66 -0.70 -2.04 0.00 0.00 177.10 173.92 2i50 s GLU 105 N -2.28 4.25 0.06 3.55 2.12 -1.26 -1.72 118.70 123.42 2i50 s GLU 105 Ca 0.19 0.69 -0.12 0.00 0.36 0.00 0.00 54.97 56.08 2i50 s GLU 105 Cb -0.04 -3.56 -0.06 0.00 0.26 0.00 0.00 34.13 30.73 2i50 s GLU 105 CO 0.14 -0.20 0.43 0.08 -0.54 0.00 0.00 175.26 175.17 2i50 s VAL 106 N 1.77 5.03 -0.26 3.70 1.01 0.85 -4.94 120.40 127.55 2i50 s VAL 106 Ca 0.31 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.97 2i50 s VAL 106 Cb -0.16 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2i50 s VAL 106 CO 0.11 0.39 -0.09 0.00 0.00 0.00 0.00 175.10 175.51 2i50 s GLN 107 N -1.60 2.32 0.28 2.72 0.00 -1.26 -3.25 119.66 118.87 2i50 s GLN 107 Ca 0.30 -1.31 -0.13 0.00 -0.00 0.00 0.00 55.36 54.22 2i50 s GLN 107 Cb -0.15 -2.93 -0.08 0.00 0.00 0.00 0.00 33.01 29.85 2i50 s GLN 107 CO 0.16 -0.56 0.66 1.52 0.00 0.00 0.00 175.29 177.08 2i50 s TYR 108 N 1.14 3.41 -0.36 9.60 -0.85 -1.26 -4.98 117.35 124.06 2i50 s TYR 108 Ca -0.08 1.10 -0.00 0.00 -0.52 0.00 0.00 57.07 57.57 2i50 s TYR 108 Cb -0.20 -2.44 0.13 0.00 0.38 0.00 0.00 41.96 39.84 2i50 s TYR 108 CO -0.05 0.18 0.20 0.00 -1.52 0.00 0.00 175.55 174.36 2i50 n SER 110 N 4.18 0.00 0.00 0.00 7.64 -1.26 -4.60 113.62 119.58 2i50 n SER 110 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2i50 n SER 110 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2i50 n SER 110 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2i50 n SER 111 N 0.36 0.00 -0.56 6.43 7.64 -1.26 -4.90 113.62 121.33 2i50 n SER 111 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2i50 n SER 111 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2i50 n SER 111 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2i50 n ASN 112 N 0.00 -3.79 -0.34 6.43 2.85 -1.26 -3.85 115.26 115.30 2i50 n ASN 112 Ca 0.00 0.43 0.28 0.00 -0.11 0.00 0.00 54.58 55.18 2i50 n ASN 112 Cb 0.00 -0.97 0.59 0.00 1.24 0.00 0.00 39.78 40.64 2i50 n ASN 112 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2i50 h GLN 113 N 0.66 0.24 -0.32 1.20 4.15 -1.99 0.11 115.11 119.17 2i50 h GLN 113 Ca 0.00 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2i50 h GLN 113 Cb 0.00 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 2i50 h GLN 113 CO 0.00 0.16 0.02 1.25 -1.93 0.00 0.00 178.83 178.33 2i50 h LEU 114 N 0.25 0.53 -0.55 -2.39 5.85 -1.93 0.21 115.31 117.28 2i50 h LEU 114 Ca 0.62 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.93 2i50 h LEU 114 Cb 1.87 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2i50 h LEU 114 CO -0.24 0.68 -0.20 1.23 -0.34 0.00 0.00 178.44 179.57 2i50 h GLY 115 N 0.35 1.03 0.89 3.75 0.00 -0.91 -0.01 103.07 108.16 2i50 h GLY 115 Ca 0.09 -0.89 0.02 0.00 0.00 0.00 0.00 47.33 46.55 2i50 h GLY 115 CO 0.01 0.81 0.25 1.46 0.00 0.00 0.00 176.54 179.07 2i50 h GLN 116 N 0.82 0.48 0.00 4.80 1.08 -1.11 0.15 115.11 121.34 2i50 h GLN 116 Ca 0.11 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 2i50 h GLN 116 Cb 0.77 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2i50 h GLN 116 CO 0.06 0.32 -0.48 0.28 -0.95 0.00 0.00 178.83 178.07 2i50 h VAL 117 N 0.50 1.48 -0.68 -0.54 2.07 -0.79 -0.12 116.25 118.17 2i50 h VAL 117 Ca 0.17 -2.05 0.08 0.00 0.82 0.00 0.00 66.70 65.72 2i50 h VAL 117 Cb 0.02 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 2i50 h VAL 117 CO -0.08 0.58 0.45 0.58 0.02 0.00 0.00 177.57 179.12 2i50 h VAL 118 N -0.26 0.98 -0.37 2.57 2.07 -0.93 0.50 116.25 120.80 2i50 h VAL 118 Ca -0.06 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2i50 h VAL 118 Cb 1.21 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2i50 h VAL 118 CO 0.09 0.12 0.05 -0.78 0.02 0.00 0.00 177.57 177.07 2i50 h ASP 119 N 0.63 0.59 -0.17 0.57 3.58 -0.52 0.31 116.42 121.41 2i50 h ASP 119 Ca 0.30 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2i50 h ASP 119 Cb 0.36 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2i50 h ASP 119 CO -0.10 0.70 0.09 0.22 -2.88 0.00 0.00 179.24 177.28 2i50 h TYR 120 N 0.45 0.23 0.00 0.28 3.20 0.61 -0.52 116.97 121.22 2i50 h TYR 120 Ca 0.11 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 2i50 h TYR 120 Cb 0.37 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2i50 h TYR 120 CO 0.03 0.23 -0.53 0.28 -1.64 0.00 0.00 178.16 176.52 2i50 h VAL 121 N 0.17 1.34 -0.35 1.81 2.07 0.13 0.78 116.25 122.21 2i50 h VAL 121 Ca 0.06 -1.86 -0.12 0.00 0.82 0.00 0.00 66.70 65.60 2i50 h VAL 121 Cb 0.07 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2i50 h VAL 121 CO -0.01 0.52 -0.29 -0.09 0.02 0.00 0.00 177.57 177.72 2i50 h ARG 122 N 0.00 0.73 0.00 1.57 2.43 0.00 -0.24 114.38 118.88 2i50 h ARG 122 Ca -0.01 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2i50 h ARG 122 Cb 0.97 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2i50 h ARG 122 CO 0.07 0.93 0.00 0.87 -1.51 0.00 0.00 179.97 180.33 2i50 h LYS 123 N 0.62 0.00 0.12 0.20 1.57 0.38 0.23 116.57 119.70 2i50 h LYS 123 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2i50 h LYS 123 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2i50 h LYS 123 CO 0.07 0.00 -0.06 1.96 -0.57 0.00 0.00 179.45 180.85 2i50 h GLN 124 N 0.00 -0.16 -0.21 3.15 1.08 0.05 -3.35 115.11 115.67 2i50 h GLN 124 Ca 0.00 0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.02 2i50 h GLN 124 Cb 0.56 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2i50 h GLN 124 CO 0.00 0.31 -0.63 0.00 -0.95 0.00 0.00 178.83 177.56 2i50 h ALA 125 N -0.22 0.49 0.00 3.87 0.00 -0.86 -3.51 119.26 119.03 2i50 h ALA 125 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2i50 h ALA 125 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2i50 h ALA 125 CO 0.03 0.69 0.00 0.43 0.00 0.00 0.00 179.25 180.40