#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 -3.06 0.52 3.14 -1.26 -5.14 118.33 112.54 2i50 n VAL 6 Ca 0.00 -0.54 -0.39 0.00 -2.96 0.00 0.00 64.34 60.45 2i50 n VAL 6 Cb 0.00 0.73 -0.06 0.00 -1.06 0.00 0.00 33.84 33.45 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 1.61 2.90 -0.83 0.00 3.00 -1.26 -4.31 116.66 117.76 2i50 n ARG 8 Ca -0.07 -2.19 0.07 0.00 -0.01 0.00 0.00 57.85 55.65 2i50 n ARG 8 Cb 0.49 -1.37 0.39 0.00 0.00 0.00 0.00 32.46 31.97 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 0.39 1.94 0.33 -1.55 8.25 -1.26 -4.59 115.22 118.73 2i50 n HIS 9 Ca 0.13 -0.68 -0.19 0.00 -0.26 0.00 0.00 57.72 56.73 2i50 n HIS 9 Cb 0.51 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 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 3.90 0.04 0.00 1.59 1.08 -1.96 0.93 117.51 123.09 2i50 h ILE 10 Ca 0.00 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 2i50 h ILE 10 Cb 1.86 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 2i50 h ILE 10 CO 0.44 0.00 -0.31 0.03 -0.69 0.00 0.00 178.15 177.62 2i50 h ARG 11 N -1.04 0.00 0.00 2.37 3.08 -1.81 0.54 114.38 117.52 2i50 h ARG 11 Ca -0.07 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 2i50 h ARG 11 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2i50 h ARG 11 CO -0.02 0.31 -0.36 0.87 -1.07 0.00 0.00 179.97 179.71 2i50 h LYS 12 N 0.00 0.00 -0.01 0.04 6.56 -1.70 -3.16 116.57 118.29 2i50 h LYS 12 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2i50 h LYS 12 Cb 0.59 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 2i50 h LYS 12 CO 0.04 0.36 0.00 0.41 -2.06 0.00 0.00 179.45 178.20 2i50 n GLY 13 N -0.08 -0.90 2.81 3.86 0.00 0.27 -3.69 105.19 107.45 2i50 n GLY 13 Ca -0.01 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.29 0.80 -0.42 0.99 0.20 0.18 -0.76 118.68 119.39 2i50 s LEU 14 Ca 0.03 -0.12 0.02 0.00 0.69 0.00 0.00 54.13 54.75 2i50 s LEU 14 Cb 0.02 -0.50 0.12 0.00 -0.43 0.00 0.00 46.19 45.41 2i50 s LEU 14 CO 0.04 -0.16 0.20 -0.70 -0.29 0.00 0.00 176.35 175.43 2i50 s GLU 15 N 1.75 1.28 0.31 1.98 -6.30 -1.00 -4.34 118.70 112.39 2i50 s GLU 15 Ca 0.02 -1.89 0.06 0.00 -2.50 0.00 0.00 54.97 50.66 2i50 s GLU 15 Cb -0.13 -2.47 0.71 0.00 0.00 0.00 0.00 34.13 32.25 2i50 s GLU 15 CO -0.05 -1.10 1.82 1.96 0.02 0.00 0.00 175.26 177.91 2i50 h GLN 16 N 7.04 0.79 0.20 4.30 4.20 -1.87 -2.45 115.11 127.32 2i50 h GLN 16 Ca -0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2i50 h GLN 16 Cb 0.95 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 2i50 h GLN 16 CO 0.51 0.52 -0.15 0.78 -0.67 0.00 0.00 178.83 179.82 2i50 h GLY 17 N 0.81 -0.36 2.00 3.46 0.00 -1.94 -2.14 103.07 104.90 2i50 h GLY 17 Ca 0.51 0.17 0.00 0.00 0.00 0.00 0.00 47.33 48.02 2i50 h GLY 17 CO -0.29 -0.16 0.00 3.45 0.00 0.00 0.00 176.54 179.55 2i50 h ASN 18 N -0.36 0.00 -0.11 0.19 -0.00 -1.83 -3.13 115.58 110.33 2i50 h ASN 18 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.28 2i50 h ASN 18 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.64 2i50 h ASN 18 CO -0.01 0.00 0.04 -0.07 -0.00 0.00 0.00 177.43 177.39 2i50 h LEU 19 N 0.00 0.16 -0.65 6.14 -0.00 -0.93 -1.99 115.31 118.05 2i50 h LEU 19 Ca 0.00 -0.19 0.08 0.00 -0.00 0.00 0.00 57.88 57.77 2i50 h LEU 19 Cb 0.73 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 41.29 2i50 h LEU 19 CO 0.00 0.31 0.31 0.11 -0.00 0.00 0.00 178.44 179.17 2i50 h LYS 20 N 0.01 0.53 0.00 1.13 1.79 -1.36 -0.56 116.57 118.11 2i50 h LYS 20 Ca 0.04 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 2i50 h LYS 20 Cb 0.21 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2i50 h LYS 20 CO -0.00 0.35 -0.51 0.87 -1.08 0.00 0.00 179.45 179.08 2i50 h LYS 21 N 0.55 0.00 0.17 3.15 1.57 -1.60 -2.74 116.57 117.67 2i50 h LYS 21 Ca 0.31 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.80 2i50 h LYS 21 Cb 0.31 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.65 2i50 h LYS 21 CO -0.25 0.51 -1.25 0.00 -0.57 0.00 0.00 179.45 177.88 2i50 h ALA 22 N 1.49 -0.08 -0.00 3.86 0.00 -0.50 -3.30 119.26 120.73 2i50 h ALA 22 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2i50 h ALA 22 Cb 1.07 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2i50 h ALA 22 CO 0.07 0.63 -0.11 1.28 0.00 0.00 0.00 179.25 181.12 2i50 n LEU 23 N -3.83 0.31 0.07 0.00 4.77 -0.32 -3.44 117.00 114.57 2i50 n LEU 23 Ca -0.15 0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2i50 n LEU 23 Cb 1.00 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.76 2i50 n LEU 23 CO 0.58 0.06 0.51 0.58 -1.33 0.00 0.00 177.39 177.79 2i50 h VAL 24 N 0.32 0.00 0.00 4.08 2.07 -1.57 -3.26 116.25 117.89 2i50 h VAL 24 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2i50 h VAL 24 Cb 0.37 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2i50 h VAL 24 CO 0.00 0.00 -0.32 0.59 0.02 0.00 0.00 177.57 177.86 2i50 n ASN 25 N -4.64 1.87 -4.69 0.57 3.02 -1.26 -5.04 115.26 105.10 2i50 n ASN 25 Ca -0.06 -3.42 -0.30 0.00 -0.03 0.00 0.00 54.58 50.77 2i50 n ASN 25 Cb 0.30 -0.47 0.15 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.82 2.58 -0.10 2.41 0.11 -1.22 -5.01 120.40 116.34 2i50 s VAL 26 Ca 0.34 0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 59.46 2i50 s VAL 26 Cb 0.32 -2.49 -0.05 0.00 -1.53 0.00 0.00 36.38 32.64 2i50 s VAL 26 CO -0.03 -0.25 0.28 -1.83 -3.33 0.00 0.00 175.10 169.95 2i50 s GLU 27 N -4.79 3.93 -0.16 1.54 1.03 -1.26 -5.05 118.70 113.94 2i50 s GLU 27 Ca 0.64 0.13 -0.06 0.00 0.03 0.00 0.00 54.97 55.71 2i50 s GLU 27 Cb -0.20 -3.30 -0.04 0.00 -0.80 0.00 0.00 34.13 29.80 2i50 s GLU 27 CO 0.58 0.53 0.03 -1.58 -1.33 0.00 0.00 175.26 173.49 2i50 s TRP 28 N -0.43 3.19 -1.34 4.83 0.52 -1.26 -4.26 118.94 120.19 2i50 s TRP 28 Ca 0.18 0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.32 2i50 s TRP 28 Cb -0.14 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.18 2i50 s TRP 28 CO 0.07 0.18 0.00 -1.71 0.02 0.00 0.00 176.95 175.51 2i50 n ASN 29 N 3.26 -4.53 -3.91 2.95 2.85 -1.26 -4.97 115.26 109.65 2i50 n ASN 29 Ca -0.17 0.11 -0.30 0.00 -0.11 0.00 0.00 54.58 54.11 2i50 n ASN 29 Cb 0.53 -3.55 -0.15 0.00 1.24 0.00 0.00 39.78 37.84 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 -2.66 1.61 -0.52 -1.44 1.01 -1.26 -4.95 121.20 112.99 2i50 s ILE 30 Ca 0.00 -1.66 -0.29 0.00 0.00 0.00 0.00 60.65 58.70 2i50 s ILE 30 Cb 0.00 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.30 2i50 s ILE 30 CO 0.00 -0.43 2.41 0.00 0.00 0.00 0.00 174.94 176.91 2i50 h GLN 32 N 16.66 0.00 0.00 0.00 3.07 -1.55 -0.14 115.11 133.15 2i50 h GLN 32 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.50 2i50 h GLN 32 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 2i50 h GLN 32 CO 1.15 0.05 0.00 0.22 0.09 0.00 0.00 178.83 180.34 2i50 h ASP 33 N 0.00 0.00 0.05 0.06 3.58 -1.84 0.18 116.42 118.45 2i50 h ASP 33 Ca -0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 2i50 h ASP 33 Cb 0.09 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.15 2i50 h ASP 33 CO 0.01 0.00 -0.85 0.00 -2.88 0.00 0.00 179.24 175.52 2i50 h LYS 35 N 0.40 0.20 -0.12 0.00 1.79 -1.10 -3.05 116.57 114.69 2i50 h LYS 35 Ca -0.07 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2i50 h LYS 35 Cb 1.47 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 2i50 h LYS 35 CO 0.16 1.14 0.00 0.25 -1.08 0.00 0.00 179.45 179.92 2i50 n THR 36 N -3.47 0.16 -2.35 -0.16 -2.24 0.50 -4.43 114.28 102.29 2i50 n THR 36 Ca -0.08 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 2i50 n THR 36 Cb 1.01 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2i50 n THR 36 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2i50 n ASP 37 N -0.14 4.83 0.11 3.42 2.03 -1.15 -4.77 116.55 120.88 2i50 n ASP 37 Ca 0.11 -3.00 0.08 0.00 0.52 0.00 0.00 54.79 52.50 2i50 n ASP 37 Cb 0.17 -1.57 0.41 0.00 -0.72 0.00 0.00 41.12 39.42 2i50 n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2i50 n ASN 38 N 5.21 0.40 -0.14 1.67 4.13 -1.26 -2.98 115.26 122.29 2i50 n ASN 38 Ca 0.43 0.68 -0.04 0.00 1.68 0.00 0.00 54.58 57.33 2i50 n ASN 38 Cb 0.39 -0.73 0.03 0.00 -1.54 0.00 0.00 39.78 37.93 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 2i50 h LYS 39 N 0.00 0.03 -6.19 3.52 1.57 -1.97 -3.43 116.57 110.11 2i50 h LYS 39 Ca 0.00 -0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2i50 h LYS 39 Cb 0.03 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2i50 h LYS 39 CO 0.00 0.02 -0.52 0.14 -0.57 0.00 0.00 179.45 178.52 2i50 s VAL 40 N -6.20 4.58 0.06 0.50 -7.23 -1.16 -5.03 120.40 105.91 2i50 s VAL 40 Ca -0.14 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 2i50 s VAL 40 Cb 0.15 -3.44 -0.30 0.00 0.56 0.00 0.00 36.38 33.35 2i50 s VAL 40 CO 0.71 -0.29 1.10 0.07 -0.31 0.00 0.00 175.10 176.39 2i50 h LYS 41 N 1.68 0.52 0.00 4.82 2.10 -1.87 -3.41 116.57 120.41 2i50 h LYS 41 Ca -0.49 -0.76 0.00 0.00 -2.00 0.00 0.00 60.65 57.40 2i50 h LYS 41 Cb 1.23 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.82 2i50 h LYS 41 CO 0.62 1.35 0.00 -0.25 -2.00 0.00 0.00 179.45 179.16 2i50 n ASP 42 N -3.72 0.00 -0.02 7.07 8.00 -1.26 -4.89 116.55 121.73 2i50 n ASP 42 Ca -0.13 0.41 -0.00 0.00 0.71 0.00 0.00 54.79 55.78 2i50 n ASP 42 Cb 1.02 -0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 -1.41 -1.25 0.00 -1.24 5.02 -1.26 -4.76 118.16 113.25 2i50 n LYS 43 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2i50 n LYS 43 Cb 0.00 -4.27 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 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 1.00 0.00 -2.85 7.82 0.00 -1.26 -4.66 120.51 120.56 2i50 n ALA 44 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2i50 n ALA 44 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.74 2i50 n ALA 44 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2i50 s GLU 45 N 0.00 3.50 0.44 0.00 2.02 -1.26 -4.86 118.70 118.53 2i50 s GLU 45 Ca 0.00 -1.46 0.24 0.00 0.02 0.00 0.00 54.97 53.77 2i50 s GLU 45 Cb 0.00 -4.85 1.24 0.00 0.10 0.00 0.00 34.13 30.63 2i50 s GLU 45 CO 0.00 -1.86 1.77 1.49 0.02 0.00 0.00 175.26 176.69 2i50 h GLU 46 N 9.15 0.26 -0.20 1.61 4.81 -1.97 0.12 114.58 128.36 2i50 h GLU 46 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2i50 h GLU 46 Cb 1.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2i50 h GLU 46 CO 1.18 0.17 0.14 1.05 -0.73 0.00 0.00 179.01 180.82 2i50 h GLU 47 N 0.27 0.15 0.00 1.92 4.11 -2.05 -2.59 114.58 116.39 2i50 h GLU 47 Ca 0.60 -0.01 -0.32 0.00 0.07 0.00 0.00 59.36 59.70 2i50 h GLU 47 Cb 1.76 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.91 2i50 h GLU 47 CO -0.23 0.10 -2.23 2.41 0.07 0.00 0.00 179.01 179.14 2i50 n THR 48 N -4.50 1.19 -3.38 -1.06 -1.04 0.14 -5.05 114.28 100.57 2i50 n THR 48 Ca 0.01 -0.75 -0.24 0.00 -2.04 0.00 0.00 64.05 61.02 2i50 n THR 48 Cb 0.17 -0.49 0.02 0.00 -1.82 0.00 0.00 70.33 68.20 2i50 n THR 48 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2i50 n GLU 49 N -2.65 -1.87 -3.39 -2.82 0.28 0.19 -4.94 120.64 105.44 2i50 n GLU 49 Ca -0.28 1.43 -0.38 0.00 -0.16 0.00 0.00 57.16 57.76 2i50 n GLU 49 Cb 1.06 -3.33 -0.06 0.00 1.43 0.00 0.00 31.44 30.55 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2i50 s GLU 50 N -3.15 4.04 -0.47 3.44 1.03 -1.26 -5.04 118.70 117.28 2i50 s GLU 50 Ca 0.22 0.55 0.03 0.00 0.03 0.00 0.00 54.97 55.80 2i50 s GLU 50 Cb -0.03 -3.19 0.16 0.00 -0.80 0.00 0.00 34.13 30.26 2i50 s GLU 50 CO 0.84 0.65 0.32 -1.59 -1.33 0.00 0.00 175.26 174.15 2i50 s LYS 51 N -1.21 1.28 0.97 -4.83 0.00 -1.26 -5.01 119.74 109.68 2i50 s LYS 51 Ca 0.28 -2.22 -0.15 0.00 0.00 0.00 0.00 55.97 53.88 2i50 s LYS 51 Cb -0.18 -2.07 0.18 0.00 0.00 0.00 0.00 37.83 35.76 2i50 s LYS 51 CO 0.16 -1.28 1.20 -1.25 0.00 0.00 0.00 175.35 174.18 2i50 s PRO 52 N -0.02 0.63 0.38 1.78 0.04 -1.26 -5.02 135.00 131.53 2i50 s PRO 52 Ca 0.25 -0.02 -0.26 0.00 0.04 0.00 0.00 61.00 61.01 2i50 s PRO 52 Cb -0.10 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 2i50 s PRO 52 CO -0.11 -2.48 1.16 -1.54 0.04 0.00 0.00 177.00 174.07 2i50 s SER 53 N -4.34 6.63 -0.19 6.66 1.04 -1.26 -4.91 113.70 117.34 2i50 s SER 53 Ca 0.68 2.33 0.01 0.00 0.48 0.00 0.00 55.95 59.45 2i50 s SER 53 Cb -0.10 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.44 2i50 s SER 53 CO 0.53 -0.60 -0.12 -0.69 0.98 0.00 0.00 173.24 173.35 2i50 s VAL 54 N -1.40 1.68 -0.18 5.02 1.01 -1.26 -0.10 120.40 125.17 2i50 s VAL 54 Ca 0.55 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2i50 s VAL 54 Cb -0.30 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2i50 s VAL 54 CO 0.38 0.26 -0.03 0.26 0.00 0.00 0.00 175.10 175.97 2i50 s TRP 55 N 1.39 2.99 -0.23 5.22 0.52 0.13 -0.08 118.94 128.89 2i50 s TRP 55 Ca 0.00 -0.53 -0.09 0.00 0.02 0.00 0.00 56.10 55.50 2i50 s TRP 55 Cb -0.15 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2i50 s TRP 55 CO -0.09 -0.25 0.11 -1.17 0.02 0.00 0.00 176.95 175.57 2i50 s LEU 56 N 0.86 3.84 -0.20 2.99 2.96 0.64 -0.57 118.68 129.21 2i50 s LEU 56 Ca -0.01 0.01 -0.28 0.00 -0.22 0.00 0.00 54.13 53.63 2i50 s LEU 56 Cb -0.14 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2i50 s LEU 56 CO 0.02 0.07 2.10 0.00 -1.32 0.00 0.00 176.35 177.21 2i50 n LEU 58 N 10.75 0.00 -0.01 0.00 4.77 0.18 0.22 117.00 132.90 2i50 n LEU 58 Ca 0.27 0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 56.39 2i50 n LEU 58 Cb 0.45 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 2i50 n LEU 58 CO 0.67 -0.13 -0.46 0.50 -1.33 0.00 0.00 177.39 176.64 2i50 h LYS 59 N 0.00 0.20 0.00 3.23 1.63 -1.06 -2.65 116.57 117.92 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 0.22 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 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 0.22 0.58 3.69 0.00 0.00 0.13 -4.65 105.19 105.16 2i50 n GLY 61 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 3.09 -0.20 1.61 5.04 -1.25 -4.76 115.29 116.82 2i50 s HIS 62 Ca 0.00 1.11 -0.07 0.00 -1.54 0.00 0.00 55.06 54.56 2i50 s HIS 62 Cb 0.00 -3.48 -0.03 0.00 0.04 0.00 0.00 32.58 29.10 2i50 s HIS 62 CO 0.00 -1.59 0.05 -1.14 -2.34 0.00 0.00 174.74 169.71 2i50 s GLN 63 N 2.35 3.81 0.16 2.88 0.74 -1.26 -0.16 119.66 128.19 2i50 s GLN 63 Ca 0.58 -0.42 0.04 0.00 0.05 0.00 0.00 55.36 55.60 2i50 s GLN 63 Cb -0.26 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 2i50 s GLN 63 CO 0.22 0.12 -0.06 0.20 -0.55 0.00 0.00 175.29 175.22 2i50 s GLY 64 N 0.78 1.17 -0.02 2.59 0.00 0.26 -1.28 107.32 110.83 2i50 s GLY 64 Ca 0.03 -1.55 -0.14 0.00 0.00 0.00 0.00 44.72 43.05 2i50 s GLY 64 CO 0.02 -1.59 0.38 0.00 0.00 0.00 0.00 173.10 171.92 2i50 n GLY 66 N 1.93 1.52 0.40 0.00 0.00 0.85 -1.71 105.19 108.19 2i50 n GLY 66 Ca -0.14 -1.72 0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 -0.75 1.61 9.65 -1.92 -2.20 114.38 120.77 2i50 h ARG 67 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2i50 h ARG 67 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2i50 h ARG 67 CO 0.00 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.86 2i50 n ASN 68 N -4.15 2.11 -4.56 -3.80 3.02 -1.26 -4.77 115.26 101.85 2i50 n ASN 68 Ca 0.10 -2.21 -0.26 0.00 -0.03 0.00 0.00 54.58 52.18 2i50 n ASN 68 Cb 0.67 -0.47 -0.11 0.00 -0.61 0.00 0.00 39.78 39.26 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 -0.37 3.69 0.12 6.41 1.04 -0.82 -4.49 113.70 119.28 2i50 s SER 69 Ca 0.15 -1.25 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 2i50 s SER 69 Cb 0.11 -0.35 -0.10 0.00 0.10 0.00 0.00 66.02 65.78 2i50 s SER 69 CO 0.05 -0.28 1.34 -0.61 0.98 0.00 0.00 173.24 174.72 2i50 h GLN 70 N 1.97 0.70 0.11 4.02 4.15 -1.86 -3.34 115.11 120.86 2i50 h GLN 70 Ca -0.42 -0.57 -0.31 0.00 0.77 0.00 0.00 58.65 58.11 2i50 h GLN 70 Cb 1.25 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 2i50 h GLN 70 CO 0.73 1.19 -1.58 0.93 -1.93 0.00 0.00 178.83 178.16 2i50 h GLU 71 N 0.48 0.23 -6.28 1.69 4.39 -1.94 -3.48 114.58 109.68 2i50 h GLU 71 Ca -0.05 -0.39 -0.46 0.00 0.34 0.00 0.00 59.36 58.81 2i50 h GLU 71 Cb 1.38 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 30.18 2i50 h GLU 71 CO 0.15 1.07 -0.86 0.94 -1.16 0.00 0.00 179.01 179.15 2i50 n GLN 72 N -3.42 -4.14 0.02 2.33 7.27 -1.25 -4.75 117.38 113.43 2i50 n GLN 72 Ca -0.18 0.52 0.20 0.00 0.07 0.00 0.00 57.00 57.61 2i50 n GLN 72 Cb 1.04 -4.87 0.69 0.00 2.41 0.00 0.00 30.24 29.51 2i50 n GLN 72 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2i50 h HIS 73 N -1.85 0.00 -0.90 3.69 3.86 -1.65 0.51 115.15 118.80 2i50 h HIS 73 Ca -0.62 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.59 2i50 h HIS 73 Cb 1.37 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.79 2i50 h HIS 73 CO 0.47 0.00 0.55 0.00 0.86 0.00 0.00 177.93 179.81 2i50 h ALA 74 N 1.74 1.26 0.11 2.45 0.00 -1.60 0.71 119.26 123.94 2i50 h ALA 74 Ca 0.24 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.76 2i50 h ALA 74 Cb 0.96 -0.36 0.03 0.00 0.00 0.00 0.00 17.79 18.41 2i50 h ALA 74 CO -0.00 0.63 -1.22 -0.07 0.00 0.00 0.00 179.25 178.59 2i50 h LEU 75 N 1.24 0.82 -1.47 0.00 4.07 -1.15 -1.49 115.31 117.34 2i50 h LEU 75 Ca 0.32 -0.75 0.13 0.00 0.08 0.00 0.00 57.88 57.67 2i50 h LEU 75 Cb -0.06 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.37 2i50 h LEU 75 CO -0.06 1.56 0.52 0.11 -1.08 0.00 0.00 178.44 179.49 2i50 h LYS 76 N 0.26 0.53 -0.18 1.13 1.57 -1.10 0.41 116.57 119.18 2i50 h LYS 76 Ca -0.17 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 2i50 h LYS 76 Cb 1.89 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 2i50 h LYS 76 CO 0.23 0.35 -0.48 1.25 -0.57 0.00 0.00 179.45 180.23 2i50 h HIS 77 N 0.54 0.59 -0.21 -1.35 2.76 -0.54 0.20 115.15 117.14 2i50 h HIS 77 Ca 0.38 -0.19 -0.19 0.00 -2.20 0.00 0.00 60.37 58.17 2i50 h HIS 77 Cb 0.72 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.57 2i50 h HIS 77 CO -0.00 0.87 -0.64 -0.92 -1.30 0.00 0.00 177.93 175.94 2i50 h TYR 78 N 0.38 0.97 0.00 5.26 3.20 -0.08 -3.03 116.97 123.67 2i50 h TYR 78 Ca 0.02 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2i50 h TYR 78 Cb 0.98 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.08 2i50 h TYR 78 CO 0.03 1.19 0.00 1.28 -1.64 0.00 0.00 178.16 179.02 2i50 n LEU 79 N -3.96 0.00 -4.68 2.82 4.77 0.13 -4.69 117.00 111.38 2i50 n LEU 79 Ca -0.05 0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.82 2i50 n LEU 79 Cb 0.67 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2i50 n LEU 79 CO 0.50 -0.04 1.24 -0.89 -1.33 0.00 0.00 177.39 176.88 2i50 s THR 80 N -2.62 3.43 -0.11 -5.08 2.01 0.66 -4.94 115.64 108.99 2i50 s THR 80 Ca 0.23 0.80 -0.29 0.00 0.31 0.00 0.00 61.69 62.73 2i50 s THR 80 Cb 0.18 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 2i50 s THR 80 CO 0.41 -0.01 1.43 -2.16 -0.69 0.00 0.00 174.62 173.59 2i50 s PRO 81 N 2.77 4.21 0.13 4.92 0.04 -1.26 -4.96 135.00 140.85 2i50 s PRO 81 Ca 0.69 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.44 2i50 s PRO 81 Cb -0.35 -3.85 0.04 0.00 0.04 0.00 0.00 34.50 30.39 2i50 s PRO 81 CO 0.29 -0.76 0.45 -0.98 0.04 0.00 0.00 177.00 176.04 2i50 s ARG 82 N 3.68 1.11 0.05 4.56 1.70 -1.26 -5.08 118.95 123.71 2i50 s ARG 82 Ca 0.63 -0.63 -0.22 0.00 -0.47 0.00 0.00 55.73 55.04 2i50 s ARG 82 Cb -0.27 0.50 -0.14 0.00 -0.57 0.00 0.00 34.95 34.47 2i50 s ARG 82 CO 0.21 -0.45 1.46 0.77 -1.08 0.00 0.00 175.30 176.22 2i50 h SER 83 N 2.30 0.22 -3.59 -2.89 0.02 -2.04 -3.42 113.55 104.16 2i50 h SER 83 Ca -0.34 -0.33 -0.51 0.00 -0.84 0.00 0.00 61.79 59.77 2i50 h SER 83 Cb 1.27 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 2i50 h SER 83 CO 0.45 0.50 0.03 -1.61 -1.14 0.00 0.00 176.83 175.05 2i50 s GLU 84 N -4.90 3.99 0.10 3.45 0.41 -1.26 -5.00 118.70 115.49 2i50 s GLU 84 Ca -0.14 0.59 -0.14 0.00 -0.41 0.00 0.00 54.97 54.87 2i50 s GLU 84 Cb 0.05 -2.61 -0.12 0.00 -1.78 0.00 0.00 34.13 29.67 2i50 s GLU 84 CO 0.71 0.27 1.35 -1.00 -0.49 0.00 0.00 175.26 176.10 2i50 h PRO 85 N 2.65 0.77 -6.01 0.39 0.13 -1.83 -3.47 132.00 124.63 2i50 h PRO 85 Ca -0.48 -0.52 -0.42 0.00 -0.87 0.00 0.00 66.00 63.71 2i50 h PRO 85 Cb 1.18 0.08 0.07 0.00 0.13 0.00 0.00 31.00 32.46 2i50 h PRO 85 CO 0.66 1.15 -0.73 0.72 -0.23 0.00 0.00 178.00 179.57 2i50 n HIS 86 N -4.08 -2.53 -0.35 1.56 8.25 -1.24 -4.83 115.22 111.99 2i50 n HIS 86 Ca -0.06 0.96 0.08 0.00 -0.26 0.00 0.00 57.72 58.44 2i50 n HIS 86 Cb 0.62 -4.62 0.32 0.00 1.12 0.00 0.00 29.99 27.43 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 -1.67 2.11 0.01 0.00 1.43 -1.26 -0.95 118.68 118.35 2i50 s LEU 88 Ca 0.46 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2i50 s LEU 88 Cb 0.29 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2i50 s LEU 88 CO 0.22 0.01 -0.08 0.68 0.23 0.00 0.00 176.35 177.41 2i50 s VAL 89 N 1.23 0.62 0.09 -1.59 -7.23 -0.68 0.49 120.40 113.33 2i50 s VAL 89 Ca 0.03 -0.58 0.06 0.00 -1.81 0.00 0.00 61.98 59.68 2i50 s VAL 89 Cb -0.13 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 2i50 s VAL 89 CO -0.11 0.01 -0.05 -1.48 -0.31 0.00 0.00 175.10 173.16 2i50 s LEU 90 N -0.63 3.26 -0.02 1.32 0.05 0.34 0.04 118.68 123.05 2i50 s LEU 90 Ca -0.00 -0.27 -0.20 0.00 0.05 0.00 0.00 54.13 53.70 2i50 s LEU 90 Cb -0.05 -2.01 -0.05 0.00 -2.05 0.00 0.00 46.19 42.03 2i50 s LEU 90 CO 0.00 0.18 0.59 -0.94 -0.55 0.00 0.00 176.35 175.63 2i50 s SER 91 N -2.21 6.95 -0.08 1.48 1.04 0.86 -0.26 113.70 121.47 2i50 s SER 91 Ca 0.23 1.13 0.08 0.00 0.48 0.00 0.00 55.95 57.87 2i50 s SER 91 Cb -0.11 -2.36 0.38 0.00 0.10 0.00 0.00 66.02 64.02 2i50 s SER 91 CO 0.16 0.09 1.15 0.18 0.98 0.00 0.00 173.24 175.79 2i50 n LEU 92 N 2.84 2.93 -0.01 2.42 4.77 0.89 -1.90 117.00 128.94 2i50 n LEU 92 Ca -0.07 -1.48 -0.03 0.00 -0.03 0.00 0.00 56.01 54.40 2i50 n LEU 92 Cb 0.51 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2i50 n LEU 92 CO 0.44 0.44 -0.23 0.47 -1.33 0.00 0.00 177.39 177.18 2i50 n ASP 93 N 0.37 1.12 -0.30 -1.43 9.92 -1.26 -4.79 116.55 120.18 2i50 n ASP 93 Ca 0.13 0.17 0.06 0.00 -0.53 0.00 0.00 54.79 54.63 2i50 n ASP 93 Cb 0.60 -0.45 -0.00 0.00 -0.64 0.00 0.00 41.12 40.63 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 -3.58 1.42 -3.34 -2.24 5.15 -1.26 -4.99 115.26 106.43 2i50 n ASN 94 Ca -0.05 -1.21 -0.19 0.00 -0.60 0.00 0.00 54.58 52.53 2i50 n ASN 94 Cb 0.18 0.47 0.08 0.00 -0.53 0.00 0.00 39.78 39.98 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 -0.19 -2.36 -3.01 1.20 7.02 -0.80 -5.03 117.44 114.27 2i50 n TRP 95 Ca 0.05 0.92 -0.17 0.00 -1.02 0.00 0.00 57.50 57.28 2i50 n TRP 95 Cb 0.28 -4.85 0.01 0.00 -2.42 0.00 0.00 31.31 24.33 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 -3.81 5.63 0.01 -0.99 0.01 -1.25 -4.82 113.70 108.47 2i50 s SER 96 Ca 0.26 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.15 2i50 s SER 96 Cb -0.11 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 2i50 s SER 96 CO 0.68 -0.80 -0.20 -0.69 0.41 0.00 0.00 173.24 172.64 2i50 s VAL 97 N -2.37 2.57 -0.07 3.43 1.01 -1.25 -0.10 120.40 123.64 2i50 s VAL 97 Ca 0.55 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2i50 s VAL 97 Cb -0.10 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2i50 s VAL 97 CO 0.33 0.45 -0.19 0.86 0.00 0.00 0.00 175.10 176.55 2i50 s TRP 98 N -0.79 1.98 -0.28 5.22 -0.11 0.11 -0.09 118.94 124.97 2i50 s TRP 98 Ca 0.12 -0.68 0.00 0.00 1.22 0.00 0.00 56.10 56.76 2i50 s TRP 98 Cb -0.10 -1.35 0.05 0.00 -1.50 0.00 0.00 33.47 30.57 2i50 s TRP 98 CO 0.02 -0.27 -0.05 0.00 -4.62 0.00 0.00 176.95 172.04 2i50 h TYR 100 N 7.90 0.00 0.00 0.00 0.05 -1.32 0.58 116.97 124.18 2i50 h TYR 100 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.58 2i50 h TYR 100 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 2i50 h TYR 100 CO 0.63 0.28 -0.60 -0.24 -1.05 0.00 0.00 178.16 177.18 2i50 h VAL 101 N 0.00 0.00 0.00 -2.88 3.04 -1.94 -2.93 116.25 111.55 2i50 h VAL 101 Ca -0.00 -0.99 -0.26 0.00 -1.01 0.00 0.00 66.70 64.43 2i50 h VAL 101 Cb 0.55 1.69 -0.04 0.00 -2.01 0.00 0.00 31.29 31.48 2i50 h VAL 101 CO 0.04 0.00 -1.43 0.00 -1.01 0.00 0.00 177.57 175.17 2i50 n ASP 103 N -3.18 -2.54 -2.85 0.00 2.03 0.20 -5.01 116.55 105.20 2i50 n ASP 103 Ca -0.10 -0.59 -0.08 0.00 0.52 0.00 0.00 54.79 54.53 2i50 n ASP 103 Cb 1.01 -4.86 0.03 0.00 -0.72 0.00 0.00 41.12 36.57 2i50 n ASP 103 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2i50 n ASN 104 N -3.02 -2.25 -4.72 1.67 6.94 -1.17 -5.04 115.26 107.67 2i50 n ASN 104 Ca -0.25 -2.52 -0.38 0.00 -0.02 0.00 0.00 54.58 51.41 2i50 n ASN 104 Cb 0.65 3.74 -0.06 0.00 -2.36 0.00 0.00 39.78 41.76 2i50 n ASN 104 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2i50 s GLU 105 N -2.09 4.36 0.12 -3.83 2.12 -1.26 -1.72 118.70 116.40 2i50 s GLU 105 Ca 0.17 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 55.98 2i50 s GLU 105 Cb -0.05 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 2i50 s GLU 105 CO 0.11 0.14 0.34 0.08 -0.54 0.00 0.00 175.26 175.39 2i50 s VAL 106 N 0.65 5.21 0.16 3.70 1.01 0.87 -4.95 120.40 127.05 2i50 s VAL 106 Ca 0.28 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.34 2i50 s VAL 106 Cb -0.16 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2i50 s VAL 106 CO 0.12 0.08 -0.25 0.00 0.00 0.00 0.00 175.10 175.04 2i50 s GLN 107 N -2.56 1.44 0.20 2.72 0.00 -1.26 -3.76 119.66 116.43 2i50 s GLN 107 Ca 0.39 -1.42 -0.10 0.00 -0.00 0.00 0.00 55.36 54.23 2i50 s GLN 107 Cb -0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 33.01 31.03 2i50 s GLN 107 CO 0.25 0.42 0.35 1.52 0.00 0.00 0.00 175.29 177.82 2i50 s TYR 108 N -1.35 0.48 0.28 9.60 -0.85 -1.26 -4.82 117.35 119.44 2i50 s TYR 108 Ca 0.17 -0.82 0.04 0.00 -0.52 0.00 0.00 57.07 55.93 2i50 s TYR 108 Cb -0.09 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.22 2i50 s TYR 108 CO 0.08 -0.82 0.15 0.00 -1.52 0.00 0.00 175.55 173.43 2i50 h SER 110 N 1.31 0.00 0.08 0.00 4.64 -2.01 -2.76 113.55 114.81 2i50 h SER 110 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2i50 h SER 110 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2i50 h SER 110 CO 0.33 0.25 -0.56 -1.54 -0.87 0.00 0.00 176.83 174.44 2i50 n SER 111 N -3.54 1.48 -4.74 4.97 3.41 -1.26 -4.63 113.62 109.31 2i50 n SER 111 Ca -0.01 -1.17 -0.38 0.00 -0.26 0.00 0.00 58.87 57.05 2i50 n SER 111 Cb 0.40 0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 64.81 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 -2.65 6.78 0.47 4.04 3.84 -1.04 -4.96 114.94 121.43 2i50 s ASN 112 Ca 0.17 0.93 0.17 0.00 0.21 0.00 0.00 52.86 54.33 2i50 s ASN 112 Cb 0.18 -2.31 1.15 0.00 -0.55 0.00 0.00 41.25 39.72 2i50 s ASN 112 CO 0.64 0.04 2.01 -0.61 -2.79 0.00 0.00 177.10 176.38 2i50 h GLN 113 N 6.35 0.24 -0.60 0.43 4.15 -1.89 -0.47 115.11 123.32 2i50 h GLN 113 Ca -0.43 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 58.88 2i50 h GLN 113 Cb 1.19 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 2i50 h GLN 113 CO 0.73 0.16 0.00 1.25 -1.93 0.00 0.00 178.83 179.05 2i50 h LEU 114 N 0.25 1.04 -0.35 -2.39 5.85 -1.93 0.91 115.31 118.69 2i50 h LEU 114 Ca 0.23 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 2i50 h LEU 114 Cb 0.58 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2i50 h LEU 114 CO -0.05 1.09 -0.14 1.23 -0.34 0.00 0.00 178.44 180.24 2i50 h GLY 115 N 0.95 0.77 0.85 3.75 0.00 -1.23 0.31 103.07 108.47 2i50 h GLY 115 Ca 0.17 -0.67 0.04 0.00 0.00 0.00 0.00 47.33 46.87 2i50 h GLY 115 CO 0.03 0.61 0.54 1.46 0.00 0.00 0.00 176.54 179.18 2i50 h GLN 116 N 0.49 1.01 0.05 4.80 4.20 -0.96 0.69 115.11 125.40 2i50 h GLN 116 Ca 0.08 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.55 2i50 h GLN 116 Cb 0.66 -0.23 0.02 0.00 0.30 0.00 0.00 27.48 28.23 2i50 h GLN 116 CO 0.04 0.67 -0.72 0.28 -0.67 0.00 0.00 178.83 178.43 2i50 h VAL 117 N 1.04 1.44 -1.00 -0.54 2.07 -0.65 -0.57 116.25 118.03 2i50 h VAL 117 Ca 0.34 -2.24 0.14 0.00 0.82 0.00 0.00 66.70 65.76 2i50 h VAL 117 Cb 0.03 2.77 -0.09 0.00 -1.52 0.00 0.00 31.29 32.48 2i50 h VAL 117 CO -0.12 0.65 0.63 0.58 0.02 0.00 0.00 177.57 179.32 2i50 h VAL 118 N -0.14 0.86 -0.42 2.57 2.07 -0.75 0.52 116.25 120.96 2i50 h VAL 118 Ca -0.10 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 2i50 h VAL 118 Cb 1.46 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2i50 h VAL 118 CO 0.14 0.17 0.08 -0.78 0.02 0.00 0.00 177.57 177.20 2i50 h ASP 119 N 0.92 0.66 -0.18 0.57 3.58 -0.71 0.13 116.42 121.40 2i50 h ASP 119 Ca 0.52 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 2i50 h ASP 119 Cb 0.61 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2i50 h ASP 119 CO -0.30 0.74 0.04 0.22 -2.88 0.00 0.00 179.24 177.07 2i50 h TYR 120 N 0.56 0.30 0.00 0.28 3.20 0.45 -0.65 116.97 121.11 2i50 h TYR 120 Ca 0.13 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2i50 h TYR 120 Cb 0.35 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2i50 h TYR 120 CO 0.02 0.41 -0.44 0.28 -1.64 0.00 0.00 178.16 176.80 2i50 h VAL 121 N 0.09 1.27 -0.18 1.81 2.07 0.13 0.77 116.25 122.21 2i50 h VAL 121 Ca 0.06 -1.53 -0.13 0.00 0.82 0.00 0.00 66.70 65.92 2i50 h VAL 121 Cb 0.27 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2i50 h VAL 121 CO 0.00 0.43 -0.45 -0.09 0.02 0.00 0.00 177.57 177.48 2i50 h ARG 122 N 0.00 0.44 0.00 1.57 2.43 -0.48 -0.23 114.38 118.12 2i50 h ARG 122 Ca -0.00 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 2i50 h ARG 122 Cb 0.80 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2i50 h ARG 122 CO 0.06 0.81 -0.24 0.87 -1.51 0.00 0.00 179.97 179.96 2i50 h LYS 123 N 0.36 0.00 -0.00 0.20 1.79 0.61 0.12 116.57 119.64 2i50 h LYS 123 Ca 0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2i50 h LYS 123 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2i50 h LYS 123 CO 0.08 0.24 -0.01 1.96 -1.08 0.00 0.00 179.45 180.64 2i50 h GLN 124 N 0.00 0.01 0.02 3.15 1.08 0.40 -3.32 115.11 116.45 2i50 h GLN 124 Ca -0.00 -0.01 -0.21 0.00 -1.45 0.00 0.00 58.65 56.98 2i50 h GLN 124 Cb 0.60 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2i50 h GLN 124 CO 0.03 0.65 -0.97 0.00 -0.95 0.00 0.00 178.83 177.60 2i50 h ALA 125 N 0.36 0.42 0.00 3.87 0.00 -1.06 -3.51 119.26 119.33 2i50 h ALA 125 Ca -0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2i50 h ALA 125 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2i50 h ALA 125 CO 0.00 1.11 0.00 0.45 0.00 0.00 0.00 179.25 180.82