#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i50 n VAL 6 N 0.00 0.00 -3.56 0.52 3.14 -1.26 -4.46 118.33 112.71 2i50 n VAL 6 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 2i50 n VAL 6 Cb 0.00 -0.25 -0.10 0.00 -1.06 0.00 0.00 33.84 32.44 2i50 n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2i50 n ARG 8 N 4.99 2.88 -0.25 0.00 3.00 -1.26 -4.37 116.66 121.65 2i50 n ARG 8 Ca -0.11 -3.02 0.09 0.00 -0.00 0.00 0.00 57.85 54.81 2i50 n ARG 8 Cb 0.43 -1.96 0.24 0.00 0.00 0.00 0.00 32.46 31.17 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 -0.57 0.66 -0.14 -0.14 8.25 -1.26 -4.21 115.22 117.80 2i50 n HIS 9 Ca 0.31 -0.33 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 2i50 n HIS 9 Cb 1.10 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.21 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 3.10 1.27 -0.02 1.59 2.04 -1.95 0.51 117.51 124.06 2i50 h ILE 10 Ca 0.00 -1.45 -0.08 0.00 1.00 0.00 0.00 64.86 64.34 2i50 h ILE 10 Cb 0.71 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2i50 h ILE 10 CO 0.00 0.49 -0.35 0.03 0.00 0.00 0.00 178.15 178.33 2i50 h ARG 11 N 0.82 0.03 0.00 2.37 3.08 -1.82 0.13 114.38 118.99 2i50 h ARG 11 Ca 0.09 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 2i50 h ARG 11 Cb 0.86 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2i50 h ARG 11 CO 0.08 0.38 -1.31 0.87 -1.07 0.00 0.00 179.97 178.92 2i50 h LYS 12 N 0.03 0.00 -0.01 0.04 1.57 -1.66 -3.37 116.57 113.17 2i50 h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i50 h LYS 12 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2i50 h LYS 12 CO 0.05 0.24 -0.68 0.41 -0.57 0.00 0.00 179.45 178.89 2i50 n GLY 13 N 1.35 -0.43 2.86 3.86 0.00 0.17 -4.42 105.19 108.58 2i50 n GLY 13 Ca -0.07 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.63 1.05 -0.45 0.99 0.20 0.02 -1.46 118.68 116.40 2i50 s LEU 14 Ca 0.11 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.81 2i50 s LEU 14 Cb 0.15 -0.52 0.13 0.00 -0.43 0.00 0.00 46.19 45.52 2i50 s LEU 14 CO 0.66 -0.11 0.23 -0.70 -0.29 0.00 0.00 176.35 176.13 2i50 s GLU 15 N 1.41 1.42 0.42 1.98 -6.30 -1.03 -4.63 118.70 111.97 2i50 s GLU 15 Ca -0.03 -2.09 0.15 0.00 -2.50 0.00 0.00 54.97 50.51 2i50 s GLU 15 Cb -0.13 -2.57 1.03 0.00 0.00 0.00 0.00 34.13 32.46 2i50 s GLU 15 CO -0.03 -1.13 1.90 1.96 0.02 0.00 0.00 175.26 177.98 2i50 h GLN 16 N 6.79 0.43 -0.02 4.30 4.20 -1.87 -2.71 115.11 126.22 2i50 h GLN 16 Ca -0.03 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2i50 h GLN 16 Cb 0.93 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2i50 h GLN 16 CO 0.53 0.29 -0.03 0.78 -0.67 0.00 0.00 178.83 179.73 2i50 h GLY 17 N 0.44 -0.01 1.89 3.46 0.00 -1.94 -2.38 103.07 104.53 2i50 h GLY 17 Ca 0.41 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2i50 h GLY 17 CO -0.14 -0.03 -0.09 3.45 0.00 0.00 0.00 176.54 179.72 2i50 h ASN 18 N -0.04 0.00 0.14 0.19 -0.00 -1.81 -3.32 115.58 110.74 2i50 h ASN 18 Ca 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 56.30 56.31 2i50 h ASN 18 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.37 2i50 h ASN 18 CO -0.05 0.01 -0.16 -0.07 -0.00 0.00 0.00 177.43 177.16 2i50 h LEU 19 N 0.00 -0.43 -1.14 6.14 -0.00 -1.17 -1.08 115.31 117.62 2i50 h LEU 19 Ca 0.00 0.05 0.12 0.00 -0.00 0.00 0.00 57.88 58.04 2i50 h LEU 19 Cb 0.87 0.16 -0.07 0.00 -0.00 0.00 0.00 40.66 41.61 2i50 h LEU 19 CO 0.00 -0.24 0.60 0.11 -0.00 0.00 0.00 178.44 178.91 2i50 h LYS 20 N -0.34 0.86 -0.05 1.13 6.56 -1.63 -0.89 116.57 122.22 2i50 h LYS 20 Ca 0.01 -0.05 -0.18 0.00 -1.06 0.00 0.00 60.65 59.37 2i50 h LYS 20 Cb 0.33 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 2i50 h LYS 20 CO -0.06 0.57 -0.74 0.87 -2.06 0.00 0.00 179.45 178.03 2i50 h LYS 21 N 0.89 0.31 0.18 3.15 1.79 -1.52 -2.68 116.57 118.69 2i50 h LYS 21 Ca 0.46 -0.26 -0.30 0.00 -2.18 0.00 0.00 60.65 58.36 2i50 h LYS 21 Cb 0.51 0.06 0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2i50 h LYS 21 CO -0.22 0.92 -1.34 0.00 -1.08 0.00 0.00 179.45 177.73 2i50 h ALA 22 N 1.01 -0.02 0.00 3.86 0.00 -0.41 -3.23 119.26 120.46 2i50 h ALA 22 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2i50 h ALA 22 Cb 1.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2i50 h ALA 22 CO 0.12 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.48 2i50 n LEU 23 N -3.64 0.00 0.26 0.00 4.77 -0.42 -2.74 117.00 115.24 2i50 n LEU 23 Ca -0.12 0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 2i50 n LEU 23 Cb 1.05 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.76 2i50 n LEU 23 CO 0.57 -0.04 0.65 0.58 -1.33 0.00 0.00 177.39 177.82 2i50 h VAL 24 N 0.00 0.53 -0.43 4.08 2.07 -1.50 -3.30 116.25 117.70 2i50 h VAL 24 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2i50 h VAL 24 Cb 0.26 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2i50 h VAL 24 CO 0.00 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.21 2i50 n ASN 25 N -5.32 4.04 -4.81 0.57 3.02 -1.17 -4.97 115.26 106.63 2i50 n ASN 25 Ca -0.11 -2.55 -0.34 0.00 -0.03 0.00 0.00 54.58 51.55 2i50 n ASN 25 Cb 0.28 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.92 2i50 n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i50 s VAL 26 N -2.00 4.06 -0.40 2.41 0.11 -1.11 -5.01 120.40 118.47 2i50 s VAL 26 Ca 0.41 1.32 -0.12 0.00 -2.93 0.00 0.00 61.98 60.66 2i50 s VAL 26 Cb 0.28 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 31.62 2i50 s VAL 26 CO 0.16 -0.24 0.26 -0.70 -3.33 0.00 0.00 175.10 171.26 2i50 s GLU 27 N -3.10 2.83 0.07 1.54 2.56 -1.26 -5.03 118.70 116.31 2i50 s GLU 27 Ca 0.64 -1.17 -0.31 0.00 0.00 0.00 0.00 54.97 54.13 2i50 s GLU 27 Cb -0.14 -3.85 -0.07 0.00 2.00 0.00 0.00 34.13 32.08 2i50 s GLU 27 CO 0.18 -0.80 1.40 -1.58 -0.56 0.00 0.00 175.26 173.89 2i50 s TRP 28 N 1.57 3.08 -1.35 5.30 0.52 -1.26 -2.01 118.94 124.80 2i50 s TRP 28 Ca 0.03 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.04 2i50 s TRP 28 Cb -0.20 -3.68 0.00 0.00 -1.15 0.00 0.00 33.47 28.44 2i50 s TRP 28 CO 0.07 -2.42 0.00 -1.71 0.02 0.00 0.00 176.95 172.90 2i50 n ASN 29 N 4.49 -4.49 -3.85 2.95 2.85 -1.26 -4.97 115.26 110.99 2i50 n ASN 29 Ca 0.12 0.23 -0.30 0.00 -0.11 0.00 0.00 54.58 54.52 2i50 n ASN 29 Cb 0.43 -3.33 -0.15 0.00 1.24 0.00 0.00 39.78 37.97 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 -2.55 1.24 -0.59 -1.44 1.01 -0.85 -4.92 121.20 113.08 2i50 s ILE 30 Ca 0.00 -1.31 -0.34 0.00 0.00 0.00 0.00 60.65 59.00 2i50 s ILE 30 Cb 0.00 -1.74 -0.15 0.00 0.01 0.00 0.00 42.46 40.58 2i50 s ILE 30 CO 0.00 -0.37 2.37 0.00 0.00 0.00 0.00 174.94 176.94 2i50 h GLN 32 N 12.91 0.00 0.00 0.00 3.07 -1.24 0.10 115.11 129.95 2i50 h GLN 32 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.57 2i50 h GLN 32 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.89 2i50 h GLN 32 CO 1.17 0.02 0.00 0.22 0.09 0.00 0.00 178.83 180.32 2i50 h ASP 33 N 0.00 0.00 0.14 0.06 3.58 -1.82 -0.51 116.42 117.87 2i50 h ASP 33 Ca -0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 2i50 h ASP 33 Cb 0.04 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.12 2i50 h ASP 33 CO 0.00 0.00 -0.91 0.00 -2.88 0.00 0.00 179.24 175.45 2i50 h LYS 35 N -0.22 0.11 -0.63 0.00 2.10 -1.32 -2.70 116.57 113.92 2i50 h LYS 35 Ca -0.15 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2i50 h LYS 35 Cb 1.70 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 2i50 h LYS 35 CO 0.17 1.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.87 2i50 n THR 36 N -3.51 0.97 -2.31 0.07 -2.24 -0.23 -4.77 114.28 102.27 2i50 n THR 36 Ca -0.03 -0.86 -0.37 0.00 -2.27 0.00 0.00 64.05 60.52 2i50 n THR 36 Cb 0.90 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.97 5.79 0.00 3.42 -1.08 -1.02 -4.79 116.67 118.03 2i50 s ASP 37 Ca 0.42 -0.54 0.19 0.00 -0.52 0.00 0.00 52.55 52.09 2i50 s ASP 37 Cb 0.23 -2.55 0.89 0.00 -1.46 0.00 0.00 42.92 40.02 2i50 s ASP 37 CO 0.27 -2.10 1.59 0.59 0.52 0.00 0.00 175.17 176.04 2i50 n ASN 38 N 11.14 0.00 -0.00 -0.34 3.02 -1.26 -3.38 115.26 124.43 2i50 n ASN 38 Ca 0.23 0.21 -0.17 0.00 -0.03 0.00 0.00 54.58 54.82 2i50 n ASN 38 Cb 0.50 -0.37 -0.14 0.00 -0.61 0.00 0.00 39.78 39.16 2i50 n ASN 38 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2i50 n LYS 39 N -1.37 0.72 -2.83 3.52 4.01 -1.26 -4.84 118.16 116.10 2i50 n LYS 39 Ca 0.07 0.27 -0.33 0.00 -0.51 0.00 0.00 58.31 57.81 2i50 n LYS 39 Cb 0.18 -1.74 -0.07 0.00 -0.51 0.00 0.00 35.03 32.89 2i50 n LYS 39 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2i50 s VAL 40 N -2.57 4.39 -0.22 -0.18 1.01 -1.22 -5.00 120.40 116.61 2i50 s VAL 40 Ca -0.16 1.50 0.05 0.00 0.00 0.00 0.00 61.98 63.36 2i50 s VAL 40 Cb 0.07 -3.63 -0.20 0.00 0.00 0.00 0.00 36.38 32.62 2i50 s VAL 40 CO 0.79 -0.28 -0.06 0.29 0.00 0.00 0.00 175.10 175.83 2i50 n LYS 41 N -0.55 0.67 0.06 2.72 4.76 -1.26 -4.63 118.16 119.93 2i50 n LYS 41 Ca 0.07 0.14 -0.02 0.00 -2.87 0.00 0.00 58.31 55.62 2i50 n LYS 41 Cb 0.54 -1.55 -0.01 0.00 -1.84 0.00 0.00 35.03 32.16 2i50 n LYS 41 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2i50 h ASP 42 N 0.01 -0.14 -0.22 4.39 3.58 -1.94 -3.47 116.42 118.64 2i50 h ASP 42 Ca -0.54 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 56.82 2i50 h ASP 42 Cb 1.99 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 43.04 2i50 h ASP 42 CO -0.04 -0.09 -0.08 0.29 -2.88 0.00 0.00 179.24 176.44 2i50 n LYS 43 N -2.49 -1.18 0.00 0.28 5.02 -1.26 -4.67 118.16 113.86 2i50 n LYS 43 Ca -0.02 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2i50 n LYS 43 Cb 0.06 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 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 1.08 2.47 -2.60 7.82 0.00 -1.26 -3.83 120.51 124.19 2i50 n ALA 44 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 2i50 n ALA 44 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.34 -3.47 0.16 0.00 1.02 -1.26 -4.95 120.64 109.80 2i50 n GLU 45 Ca 0.00 2.76 0.08 0.00 -0.02 0.00 0.00 57.16 59.99 2i50 n GLU 45 Cb 0.00 -5.00 0.07 0.00 -0.02 0.00 0.00 31.44 26.50 2i50 n GLU 45 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2i50 h GLU 46 N 3.02 0.00 -0.34 3.49 4.11 -1.99 -3.31 114.58 119.57 2i50 h GLU 46 Ca -0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.22 2i50 h GLU 46 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2i50 h GLU 46 CO 0.07 0.16 -0.17 1.05 0.07 0.00 0.00 179.01 180.19 2i50 h GLU 47 N 0.00 0.71 -5.83 1.06 4.11 -2.00 -3.47 114.58 109.16 2i50 h GLU 47 Ca -0.02 -0.31 -0.41 0.00 0.07 0.00 0.00 59.36 58.69 2i50 h GLU 47 Cb 1.15 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.27 2i50 h GLU 47 CO 0.02 0.92 -0.62 0.25 0.07 0.00 0.00 179.01 179.65 2i50 n THR 48 N -4.33 -0.95 0.77 -1.06 -2.24 -1.25 -4.84 114.28 100.38 2i50 n THR 48 Ca -0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 2i50 n THR 48 Cb 0.40 -1.69 0.24 0.00 -2.10 0.00 0.00 70.33 67.18 2i50 n THR 48 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2i50 n GLU 49 N -3.87 0.16 -4.49 -0.78 1.02 -1.26 -4.63 120.64 106.80 2i50 n GLU 49 Ca 0.02 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 2i50 n GLU 49 Cb 0.52 -1.60 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2i50 s GLU 50 N -3.09 2.90 -0.45 3.49 2.02 -1.26 -5.07 118.70 117.23 2i50 s GLU 50 Ca 0.09 -0.47 0.04 0.00 0.02 0.00 0.00 54.97 54.64 2i50 s GLU 50 Cb 0.15 -2.71 0.12 0.00 0.10 0.00 0.00 34.13 31.80 2i50 s GLU 50 CO 0.70 0.67 0.19 0.15 0.02 0.00 0.00 175.26 176.99 2i50 s LYS 51 N -0.81 1.77 0.29 1.61 3.01 -1.26 -5.08 119.74 119.28 2i50 s LYS 51 Ca 0.12 -2.34 -0.29 0.00 -1.01 0.00 0.00 55.97 52.46 2i50 s LYS 51 Cb -0.11 -3.23 -0.10 0.00 -1.01 0.00 0.00 37.83 33.38 2i50 s LYS 51 CO 0.02 -1.05 1.10 -1.25 0.51 0.00 0.00 175.35 174.68 2i50 s PRO 52 N 0.15 4.59 0.52 -1.68 0.04 -1.26 -4.75 135.00 132.61 2i50 s PRO 52 Ca 0.15 1.79 -0.19 0.00 0.04 0.00 0.00 61.00 62.79 2i50 s PRO 52 Cb -0.23 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 2i50 s PRO 52 CO -0.03 0.17 1.07 -1.54 0.04 0.00 0.00 177.00 176.71 2i50 s SER 53 N -0.93 6.03 -0.27 6.66 1.04 -1.26 -4.83 113.70 120.14 2i50 s SER 53 Ca 0.46 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.89 2i50 s SER 53 Cb -0.31 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.29 2i50 s SER 53 CO 0.40 -1.00 -0.07 -0.69 0.98 0.00 0.00 173.24 172.87 2i50 s VAL 54 N -1.97 2.59 -0.21 5.02 1.01 -1.26 0.22 120.40 125.81 2i50 s VAL 54 Ca 0.69 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2i50 s VAL 54 Cb -0.19 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2i50 s VAL 54 CO 0.25 0.01 0.05 0.26 0.00 0.00 0.00 175.10 175.67 2i50 s TRP 55 N 1.21 3.13 -0.24 5.22 0.52 0.99 -0.15 118.94 129.62 2i50 s TRP 55 Ca -0.05 -0.21 -0.08 0.00 0.02 0.00 0.00 56.10 55.78 2i50 s TRP 55 Cb -0.19 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.97 2i50 s TRP 55 CO -0.04 -0.11 0.08 -1.17 0.02 0.00 0.00 176.95 175.73 2i50 s LEU 56 N 0.94 3.55 -0.17 2.99 2.96 0.60 -0.69 118.68 128.86 2i50 s LEU 56 Ca 0.03 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.51 2i50 s LEU 56 Cb -0.14 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 2i50 s LEU 56 CO 0.03 -0.01 2.18 0.00 -1.32 0.00 0.00 176.35 177.22 2i50 n LEU 58 N 10.95 0.00 -0.01 0.00 4.77 0.16 0.14 117.00 133.01 2i50 n LEU 58 Ca 0.28 0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 56.44 2i50 n LEU 58 Cb 0.44 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 2i50 n LEU 58 CO 0.66 -0.18 -0.52 0.50 -1.33 0.00 0.00 177.39 176.52 2i50 h LYS 59 N 0.00 0.21 0.00 3.23 1.63 -1.36 -2.73 116.57 117.54 2i50 h LYS 59 Ca 0.00 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2i50 h LYS 59 Cb 0.21 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2i50 h LYS 59 CO 0.00 1.17 0.00 0.00 -3.45 0.00 0.00 179.45 177.17 2i50 n GLY 61 N 0.36 0.61 3.73 0.00 0.00 0.12 -4.61 105.19 105.40 2i50 n GLY 61 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 3.06 -0.24 1.61 5.04 -1.25 -4.77 115.29 116.75 2i50 s HIS 62 Ca 0.00 0.84 -0.01 0.00 -1.54 0.00 0.00 55.06 54.34 2i50 s HIS 62 Cb 0.00 -3.86 0.03 0.00 0.04 0.00 0.00 32.58 28.79 2i50 s HIS 62 CO 0.00 -2.98 -0.08 -1.14 -2.34 0.00 0.00 174.74 168.20 2i50 s GLN 63 N 0.47 2.85 0.29 2.88 0.74 -1.26 0.34 119.66 125.96 2i50 s GLN 63 Ca 0.65 -0.96 0.04 0.00 0.05 0.00 0.00 55.36 55.13 2i50 s GLN 63 Cb -0.42 -2.94 -0.06 0.00 1.10 0.00 0.00 33.01 30.69 2i50 s GLN 63 CO 0.36 -0.38 0.03 0.20 -0.55 0.00 0.00 175.29 174.96 2i50 s GLY 64 N 1.32 1.89 -0.07 2.59 0.00 0.13 -0.76 107.32 112.42 2i50 s GLY 64 Ca 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 44.72 42.73 2i50 s GLY 64 CO -0.05 -1.76 0.12 0.00 0.00 0.00 0.00 173.10 171.41 2i50 n GLY 66 N 1.63 1.37 0.31 0.00 0.00 0.13 -1.82 105.19 106.82 2i50 n GLY 66 Ca -0.16 -1.64 0.01 0.00 0.00 0.00 0.00 46.02 44.23 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 0.87 -0.01 1.61 9.65 -1.96 -2.53 114.38 122.01 2i50 h ARG 67 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2i50 h ARG 67 Cb 0.00 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 2i50 h ARG 67 CO 0.00 0.57 0.00 0.09 2.80 0.00 0.00 179.97 183.43 2i50 n ASN 68 N -4.67 0.01 -5.01 -3.80 3.02 -1.26 -4.74 115.26 98.81 2i50 n ASN 68 Ca 0.12 -1.15 -0.17 0.00 -0.03 0.00 0.00 54.58 53.35 2i50 n ASN 68 Cb 0.21 -0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.38 2i50 n ASN 68 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2i50 s SER 69 N -1.41 5.62 -0.02 6.41 1.04 -0.95 -4.23 113.70 120.16 2i50 s SER 69 Ca 0.00 -0.45 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 2i50 s SER 69 Cb 0.00 -0.60 -0.33 0.00 0.10 0.00 0.00 66.02 65.19 2i50 s SER 69 CO 0.00 -0.80 0.84 -0.61 0.98 0.00 0.00 173.24 173.65 2i50 h GLN 70 N 0.61 0.43 0.06 4.02 4.15 -1.87 -3.38 115.11 119.14 2i50 h GLN 70 Ca -0.39 -0.73 -0.31 0.00 0.77 0.00 0.00 58.65 57.99 2i50 h GLN 70 Cb 1.28 0.27 -0.03 0.00 0.21 0.00 0.00 27.48 29.22 2i50 h GLN 70 CO 0.45 1.35 -1.66 0.93 -1.93 0.00 0.00 178.83 177.97 2i50 h GLU 71 N -0.01 0.14 -5.90 1.69 3.07 -1.95 -3.49 114.58 108.14 2i50 h GLU 71 Ca -0.27 -0.23 -0.37 0.00 -0.50 0.00 0.00 59.36 57.99 2i50 h GLU 71 Cb 2.02 0.09 0.12 0.00 -0.84 0.00 0.00 28.75 30.13 2i50 h GLU 71 CO 0.20 0.89 -0.86 1.04 -1.40 0.00 0.00 179.01 178.88 2i50 n GLN 72 N -3.29 -3.39 0.01 2.33 6.02 -1.26 -4.72 117.38 113.09 2i50 n GLN 72 Ca -0.19 0.67 0.10 0.00 -0.01 0.00 0.00 57.00 57.57 2i50 n GLN 72 Cb 1.04 -5.16 0.52 0.00 1.02 0.00 0.00 30.24 27.66 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 -1.66 0.33 -0.33 1.08 3.86 -1.81 0.79 115.15 117.43 2i50 h HIS 73 Ca -0.62 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 58.50 2i50 h HIS 73 Cb 1.34 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 2i50 h HIS 73 CO 0.38 0.18 -0.21 0.00 0.86 0.00 0.00 177.93 179.14 2i50 h ALA 74 N 1.77 1.02 -0.08 2.45 0.00 -1.63 0.28 119.26 123.06 2i50 h ALA 74 Ca 0.18 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2i50 h ALA 74 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2i50 h ALA 74 CO -0.04 0.59 -0.23 -0.07 0.00 0.00 0.00 179.25 179.49 2i50 h LEU 75 N 0.55 0.35 -1.71 0.00 -0.00 -1.32 -0.57 115.31 112.61 2i50 h LEU 75 Ca 0.08 -0.60 0.07 0.00 -0.00 0.00 0.00 57.88 57.44 2i50 h LEU 75 Cb 0.67 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 2i50 h LEU 75 CO 0.05 0.88 0.32 0.11 -0.00 0.00 0.00 178.44 179.81 2i50 h LYS 76 N -0.17 0.34 -0.17 1.13 1.57 -0.73 0.30 116.57 118.82 2i50 h LYS 76 Ca -0.01 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2i50 h LYS 76 Cb 0.85 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2i50 h LYS 76 CO 0.05 0.22 -0.49 1.25 -0.57 0.00 0.00 179.45 179.91 2i50 h HIS 77 N 0.35 0.57 -0.21 -1.35 2.76 0.09 0.31 115.15 117.66 2i50 h HIS 77 Ca 0.21 -0.19 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 2i50 h HIS 77 Cb 0.40 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 2i50 h HIS 77 CO -0.00 0.87 -0.45 -0.92 -1.30 0.00 0.00 177.93 176.13 2i50 h TYR 78 N 0.37 0.65 -0.00 5.26 3.20 0.10 -2.89 116.97 123.65 2i50 h TYR 78 Ca 0.02 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.69 2i50 h TYR 78 Cb 1.00 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.13 2i50 h TYR 78 CO 0.03 0.89 -0.02 1.28 -1.64 0.00 0.00 178.16 178.71 2i50 n LEU 79 N -4.00 0.21 -4.67 2.82 4.77 -0.02 -4.80 117.00 111.29 2i50 n LEU 79 Ca -0.02 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 2i50 n LEU 79 Cb 0.54 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 2i50 n LEU 79 CO 0.45 0.04 1.34 -0.89 -1.33 0.00 0.00 177.39 177.00 2i50 s THR 80 N -2.23 3.36 -0.05 -5.08 2.01 0.10 -4.96 115.64 108.79 2i50 s THR 80 Ca 0.39 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 2i50 s THR 80 Cb 0.21 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2i50 s THR 80 CO 0.41 -0.03 1.35 -2.16 -0.69 0.00 0.00 174.62 173.50 2i50 s PRO 81 N 3.37 4.28 0.33 4.92 0.04 -1.26 -4.96 135.00 141.71 2i50 s PRO 81 Ca 0.73 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 63.54 2i50 s PRO 81 Cb -0.36 -3.65 0.04 0.00 0.04 0.00 0.00 34.50 30.57 2i50 s PRO 81 CO 0.31 -0.60 0.59 2.89 0.04 0.00 0.00 177.00 180.23 2i50 n ARG 82 N 5.76 0.85 -0.05 4.56 1.85 -1.26 -5.07 116.66 123.30 2i50 n ARG 82 Ca 0.13 -2.06 -0.14 0.00 -1.00 0.00 0.00 57.85 54.78 2i50 n ARG 82 Cb 0.44 2.35 -0.14 0.00 -1.05 0.00 0.00 32.46 34.06 2i50 n ARG 82 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2i50 n SER 83 N -1.53 1.21 -4.93 2.89 7.64 -1.26 -4.94 113.62 112.71 2i50 n SER 83 Ca -0.05 0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.75 2i50 n SER 83 Cb 0.50 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2i50 n SER 83 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2i50 s GLU 84 N -2.55 3.36 -0.05 1.43 2.02 -1.26 -5.05 118.70 116.60 2i50 s GLU 84 Ca -0.16 -0.10 -0.21 0.00 0.02 0.00 0.00 54.97 54.52 2i50 s GLU 84 Cb 0.07 -2.48 -0.16 0.00 0.10 0.00 0.00 34.13 31.67 2i50 s GLU 84 CO 0.77 -0.18 0.89 -1.00 0.02 0.00 0.00 175.26 175.77 2i50 h PRO 85 N 0.36 -0.20 -6.28 0.39 0.13 -1.92 -3.48 132.00 120.99 2i50 h PRO 85 Ca -0.47 0.01 -0.47 0.00 -0.87 0.00 0.00 66.00 64.20 2i50 h PRO 85 Cb 1.22 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2i50 h PRO 85 CO 0.61 0.23 -0.80 0.72 -0.23 0.00 0.00 178.00 178.53 2i50 n HIS 86 N -4.92 -2.09 -0.69 1.56 8.25 -1.26 -4.88 115.22 111.18 2i50 n HIS 86 Ca -0.08 0.86 0.09 0.00 -0.26 0.00 0.00 57.72 58.33 2i50 n HIS 86 Cb 0.27 -4.02 0.33 0.00 1.12 0.00 0.00 29.99 27.68 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 -2.09 2.41 0.02 0.00 1.43 -1.26 -0.60 118.68 118.59 2i50 s LEU 88 Ca 0.48 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 2i50 s LEU 88 Cb 0.33 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2i50 s LEU 88 CO 0.20 0.08 -0.05 0.68 0.23 0.00 0.00 176.35 177.49 2i50 s VAL 89 N 0.81 0.32 0.17 -1.59 -7.23 -0.66 0.36 120.40 112.58 2i50 s VAL 89 Ca -0.06 -0.59 0.07 0.00 -1.81 0.00 0.00 61.98 59.59 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 -0.00 -0.19 0.03 -1.48 -0.31 0.00 0.00 175.10 173.15 2i50 s LEU 90 N -0.83 3.42 -0.11 1.32 0.05 0.68 0.15 118.68 123.35 2i50 s LEU 90 Ca -0.06 -0.34 -0.14 0.00 0.05 0.00 0.00 54.13 53.65 2i50 s LEU 90 Cb -0.06 -2.06 -0.05 0.00 -2.05 0.00 0.00 46.19 41.97 2i50 s LEU 90 CO -0.00 0.09 0.32 -0.94 -0.55 0.00 0.00 176.35 175.26 2i50 s SER 91 N -2.97 6.55 -0.04 1.48 1.04 0.68 -0.29 113.70 120.16 2i50 s SER 91 Ca 0.28 0.64 0.10 0.00 0.48 0.00 0.00 55.95 57.46 2i50 s SER 91 Cb -0.09 -2.19 0.35 0.00 0.10 0.00 0.00 66.02 64.19 2i50 s SER 91 CO 0.20 0.19 1.22 0.18 0.98 0.00 0.00 173.24 176.01 2i50 n LEU 92 N 2.93 2.42 -0.02 2.42 4.77 0.79 -2.18 117.00 128.14 2i50 n LEU 92 Ca -0.13 -1.22 -0.05 0.00 -0.03 0.00 0.00 56.01 54.58 2i50 n LEU 92 Cb 0.52 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2i50 n LEU 92 CO 0.38 0.48 -0.40 0.47 -1.33 0.00 0.00 177.39 176.99 2i50 n ASP 93 N 0.50 1.37 -0.15 -1.43 9.92 -1.26 -4.76 116.55 120.73 2i50 n ASP 93 Ca 0.13 0.21 0.07 0.00 -0.53 0.00 0.00 54.79 54.67 2i50 n ASP 93 Cb 0.44 -0.49 -0.05 0.00 -0.64 0.00 0.00 41.12 40.39 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 -3.86 1.10 -3.55 -2.24 5.15 -1.26 -4.99 115.26 105.61 2i50 n ASN 94 Ca -0.09 -1.05 -0.20 0.00 -0.60 0.00 0.00 54.58 52.64 2i50 n ASN 94 Cb 0.30 0.77 0.05 0.00 -0.53 0.00 0.00 39.78 40.38 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 -0.83 -2.08 -4.24 1.20 7.02 -0.92 -5.03 117.44 112.56 2i50 n TRP 95 Ca 0.04 0.82 -0.28 0.00 -1.02 0.00 0.00 57.50 57.07 2i50 n TRP 95 Cb 0.28 -4.40 -0.05 0.00 -2.42 0.00 0.00 31.31 24.72 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 -4.08 4.40 -0.01 -0.99 0.01 -1.25 -4.88 113.70 106.90 2i50 s SER 96 Ca 0.14 -1.30 0.05 0.00 1.31 0.00 0.00 55.95 56.15 2i50 s SER 96 Cb -0.03 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2i50 s SER 96 CO 0.78 -0.81 -0.16 -0.69 0.41 0.00 0.00 173.24 172.78 2i50 s VAL 97 N -2.74 2.96 -0.06 3.43 1.01 -1.25 -0.23 120.40 123.53 2i50 s VAL 97 Ca 0.29 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2i50 s VAL 97 Cb 0.01 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 2i50 s VAL 97 CO 0.17 0.47 -0.20 0.86 0.00 0.00 0.00 175.10 176.40 2i50 s TRP 98 N -0.83 2.06 -0.25 5.22 -0.11 0.12 -0.13 118.94 125.03 2i50 s TRP 98 Ca 0.13 -0.68 -0.02 0.00 1.22 0.00 0.00 56.10 56.75 2i50 s TRP 98 Cb -0.11 -1.39 0.02 0.00 -1.50 0.00 0.00 33.47 30.50 2i50 s TRP 98 CO 0.03 -0.25 -0.05 0.00 -4.62 0.00 0.00 176.95 172.06 2i50 h TYR 100 N 8.03 0.02 0.00 0.00 0.05 -1.15 0.70 116.97 124.62 2i50 h TYR 100 Ca -0.33 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.41 2i50 h TYR 100 Cb 1.11 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.84 2i50 h TYR 100 CO 0.58 0.47 -0.41 -0.24 -1.05 0.00 0.00 178.16 177.51 2i50 h VAL 101 N 0.01 0.18 0.01 -2.88 3.04 -1.94 -2.98 116.25 111.69 2i50 h VAL 101 Ca -0.00 -1.28 -0.31 0.00 -1.01 0.00 0.00 66.70 64.10 2i50 h VAL 101 Cb 0.81 1.96 -0.05 0.00 -2.01 0.00 0.00 31.29 32.00 2i50 h VAL 101 CO 0.06 0.10 -1.86 0.00 -1.01 0.00 0.00 177.57 174.87 2i50 n ASP 103 N -3.03 -6.19 -3.25 0.00 2.03 0.24 -5.02 116.55 101.33 2i50 n ASP 103 Ca -0.21 -0.76 -0.10 0.00 0.52 0.00 0.00 54.79 54.24 2i50 n ASP 103 Cb 1.07 -4.30 -0.00 0.00 -0.72 0.00 0.00 41.12 37.17 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 -3.35 0.13 -0.09 1.67 4.22 -1.15 -5.01 114.94 111.37 2i50 s ASN 104 Ca 0.38 -1.10 -0.22 0.00 -2.14 0.00 0.00 52.86 49.78 2i50 s ASN 104 Cb -0.09 0.77 -0.04 0.00 1.28 0.00 0.00 41.25 43.17 2i50 s ASN 104 CO 0.80 -1.50 0.63 -0.70 -2.04 0.00 0.00 177.10 174.29 2i50 s GLU 105 N -2.90 4.40 -0.03 3.55 2.12 -1.26 -1.69 118.70 122.89 2i50 s GLU 105 Ca 0.18 0.75 -0.16 0.00 0.36 0.00 0.00 54.97 56.10 2i50 s GLU 105 Cb -0.04 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 2i50 s GLU 105 CO 0.12 0.07 0.44 0.08 -0.54 0.00 0.00 175.26 175.43 2i50 s VAL 106 N 0.81 5.05 -0.04 3.70 1.01 0.81 -4.96 120.40 126.79 2i50 s VAL 106 Ca 0.34 0.90 -0.21 0.00 0.00 0.00 0.00 61.98 63.00 2i50 s VAL 106 Cb -0.17 -3.76 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2i50 s VAL 106 CO 0.15 0.50 0.92 1.56 0.00 0.00 0.00 175.10 178.23 2i50 h GLN 107 N 5.32 -0.26 0.00 2.72 7.50 -1.97 -3.32 115.11 125.11 2i50 h GLN 107 Ca -0.48 0.02 0.11 0.00 0.50 0.00 0.00 58.65 58.79 2i50 h GLN 107 Cb 1.21 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.77 2i50 h GLN 107 CO 0.66 0.14 -0.14 2.48 -1.50 0.00 0.00 178.83 180.47 2i50 n TYR 108 N -4.97 -2.26 -3.83 2.96 4.11 -1.26 -4.96 117.16 106.94 2i50 n TYR 108 Ca -0.08 0.48 -0.07 0.00 -0.00 0.00 0.00 57.90 58.24 2i50 n TYR 108 Cb 0.26 -0.86 0.02 0.00 -0.00 0.00 0.00 39.34 38.76 2i50 n TYR 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i50 h SER 110 N 2.00 0.00 -2.09 0.00 0.02 -1.97 -3.25 113.55 108.26 2i50 h SER 110 Ca -0.30 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.16 2i50 h SER 110 Cb 1.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 2i50 h SER 110 CO 0.38 0.00 -0.47 -0.94 -1.14 0.00 0.00 176.83 174.67 2i50 s SER 111 N -5.34 5.73 0.15 3.07 1.04 -1.26 -4.33 113.70 112.75 2i50 s SER 111 Ca -0.03 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2i50 s SER 111 Cb 0.12 -1.43 0.00 0.00 0.10 0.00 0.00 66.02 64.81 2i50 s SER 111 CO 0.45 -0.14 0.00 -3.20 0.98 0.00 0.00 173.24 171.33 2i50 n ASN 112 N -1.32 -3.17 -0.44 7.02 5.15 -1.26 -4.38 115.26 116.86 2i50 n ASN 112 Ca -0.06 0.35 0.36 0.00 -0.60 0.00 0.00 54.58 54.63 2i50 n ASN 112 Cb 0.58 -0.63 0.64 0.00 -0.53 0.00 0.00 39.78 39.84 2i50 n ASN 112 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 2i50 h GLN 113 N 0.48 0.10 -0.05 1.20 4.15 -1.94 -1.61 115.11 117.43 2i50 h GLN 113 Ca 0.00 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 2i50 h GLN 113 Cb 0.00 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 2i50 h GLN 113 CO 0.00 0.06 -0.08 1.25 -1.93 0.00 0.00 178.83 178.13 2i50 h LEU 114 N 0.10 0.16 -0.79 -2.39 5.85 -1.90 0.33 115.31 116.67 2i50 h LEU 114 Ca 0.81 -0.55 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 2i50 h LEU 114 Cb 2.51 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 43.49 2i50 h LEU 114 CO -0.42 0.68 -0.41 1.23 -0.34 0.00 0.00 178.44 179.18 2i50 h GLY 115 N -0.35 0.46 0.86 3.75 0.00 -1.35 -0.38 103.07 106.05 2i50 h GLY 115 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.92 2i50 h GLY 115 CO 0.02 0.41 0.45 1.46 0.00 0.00 0.00 176.54 178.87 2i50 h GLN 116 N 0.35 0.85 0.07 4.80 1.08 -1.20 0.42 115.11 121.48 2i50 h GLN 116 Ca 0.03 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 56.99 2i50 h GLN 116 Cb 0.87 -0.19 0.02 0.00 -0.05 0.00 0.00 27.48 28.13 2i50 h GLN 116 CO 0.07 0.56 -0.79 0.28 -0.95 0.00 0.00 178.83 178.01 2i50 h VAL 117 N 0.87 1.43 -0.96 -0.54 2.07 -0.57 -0.06 116.25 118.50 2i50 h VAL 117 Ca 0.29 -2.30 0.14 0.00 0.82 0.00 0.00 66.70 65.65 2i50 h VAL 117 Cb 0.03 2.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 2i50 h VAL 117 CO -0.11 0.67 0.61 0.58 0.02 0.00 0.00 177.57 179.33 2i50 h VAL 118 N -0.13 0.87 -0.32 2.57 2.07 -0.97 0.49 116.25 120.83 2i50 h VAL 118 Ca -0.12 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 2i50 h VAL 118 Cb 1.53 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2i50 h VAL 118 CO 0.15 0.16 -0.06 -0.78 0.02 0.00 0.00 177.57 177.06 2i50 h ASP 119 N 0.85 0.60 -0.23 0.57 3.58 -0.78 0.11 116.42 121.12 2i50 h ASP 119 Ca 0.48 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2i50 h ASP 119 Cb 0.62 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2i50 h ASP 119 CO -0.25 0.82 0.07 0.22 -2.88 0.00 0.00 179.24 177.22 2i50 h TYR 120 N 0.38 0.37 0.00 0.28 3.20 0.12 -0.66 116.97 120.66 2i50 h TYR 120 Ca 0.08 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 2i50 h TYR 120 Cb 0.54 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2i50 h TYR 120 CO 0.05 0.43 -0.48 0.28 -1.64 0.00 0.00 178.16 176.80 2i50 h VAL 121 N 0.20 1.20 -0.09 1.81 2.07 0.04 0.88 116.25 122.36 2i50 h VAL 121 Ca 0.07 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.74 2i50 h VAL 121 Cb 0.24 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2i50 h VAL 121 CO -0.00 0.48 -0.41 -0.09 0.02 0.00 0.00 177.57 177.56 2i50 h ARG 122 N 0.00 0.20 0.00 1.57 2.43 -0.33 0.14 114.38 118.40 2i50 h ARG 122 Ca -0.00 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 2i50 h ARG 122 Cb 0.94 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 2i50 h ARG 122 CO 0.06 0.58 -0.51 0.87 -1.51 0.00 0.00 179.97 179.47 2i50 h LYS 123 N 0.17 0.00 0.07 0.20 1.79 0.50 0.11 116.57 119.41 2i50 h LYS 123 Ca 0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2i50 h LYS 123 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2i50 h LYS 123 CO 0.06 0.51 -0.03 1.96 -1.08 0.00 0.00 179.45 180.87 2i50 h GLN 124 N 0.00 -0.09 -0.02 3.15 1.08 0.70 -3.32 115.11 116.62 2i50 h GLN 124 Ca -0.01 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2i50 h GLN 124 Cb 1.02 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2i50 h GLN 124 CO 0.07 0.47 -0.02 0.00 -0.95 0.00 0.00 178.83 178.40 2i50 h ALA 125 N 0.01 0.02 0.00 3.87 0.00 -0.89 -3.51 119.26 118.77 2i50 h ALA 125 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2i50 h ALA 125 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2i50 h ALA 125 CO 0.02 -0.22 0.00 0.45 0.00 0.00 0.00 179.25 179.50