#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 0.33 -0.34 0.52 1.01 -1.26 -5.10 120.40 115.56 2i50 s VAL 6 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.86 2i50 s VAL 6 Cb 0.00 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 2i50 s VAL 6 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 175.10 175.32 2i50 n ARG 8 N 5.07 3.80 -0.84 0.00 3.00 -1.26 -4.25 116.66 122.18 2i50 n ARG 8 Ca -0.13 -2.90 0.02 0.00 -0.01 0.00 0.00 57.85 54.83 2i50 n ARG 8 Cb 0.49 -1.95 0.32 0.00 0.00 0.00 0.00 32.46 31.32 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 0.40 1.92 -0.15 -1.55 8.25 -1.26 -4.53 115.22 118.30 2i50 n HIS 9 Ca 0.24 -1.00 -0.09 0.00 -0.26 0.00 0.00 57.72 56.61 2i50 n HIS 9 Cb 0.95 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 2.80 1.20 -0.80 1.59 1.08 -1.96 -0.78 117.51 120.64 2i50 h ILE 10 Ca 0.12 -0.63 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 2i50 h ILE 10 Cb 1.99 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 36.52 2i50 h ILE 10 CO 0.53 0.23 0.38 0.03 -0.69 0.00 0.00 178.15 178.63 2i50 h ARG 11 N 0.55 1.15 -0.02 2.37 3.08 -1.79 0.04 114.38 119.75 2i50 h ARG 11 Ca 0.14 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 2i50 h ARG 11 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2i50 h ARG 11 CO -0.01 0.89 -0.35 0.87 -1.07 0.00 0.00 179.97 180.30 2i50 h LYS 12 N 1.13 0.03 -0.04 0.04 1.79 -1.61 -3.22 116.57 114.70 2i50 h LYS 12 Ca 0.27 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2i50 h LYS 12 Cb 0.12 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2i50 h LYS 12 CO -0.03 0.38 0.00 0.41 -1.08 0.00 0.00 179.45 179.13 2i50 n GLY 13 N -0.50 0.96 2.81 3.86 0.00 -0.40 -4.32 105.19 107.60 2i50 n GLY 13 Ca -0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.62 1.07 -0.48 0.99 0.20 -0.01 -0.74 118.68 119.08 2i50 s LEU 14 Ca 0.04 -0.45 0.03 0.00 0.69 0.00 0.00 54.13 54.44 2i50 s LEU 14 Cb 0.02 -0.65 0.14 0.00 -0.43 0.00 0.00 46.19 45.27 2i50 s LEU 14 CO 0.03 -0.21 0.27 -0.70 -0.29 0.00 0.00 176.35 175.45 2i50 s GLU 15 N 1.83 1.50 0.21 1.98 2.56 -0.95 -4.49 118.70 121.34 2i50 s GLU 15 Ca 0.02 -2.24 -0.09 0.00 0.00 0.00 0.00 54.97 52.66 2i50 s GLU 15 Cb -0.14 -2.57 0.31 0.00 2.00 0.00 0.00 34.13 33.73 2i50 s GLU 15 CO -0.07 -1.17 1.71 1.96 -0.56 0.00 0.00 175.26 177.13 2i50 h GLN 16 N 6.51 0.29 -0.01 4.30 4.20 -1.88 -1.85 115.11 126.66 2i50 h GLN 16 Ca 0.01 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 2i50 h GLN 16 Cb 0.90 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2i50 h GLN 16 CO 0.54 0.19 -0.38 0.78 -0.67 0.00 0.00 178.83 179.28 2i50 h GLY 17 N 0.30 0.02 1.66 3.46 0.00 -1.96 -1.51 103.07 105.04 2i50 h GLY 17 Ca 0.33 -0.02 -0.20 0.00 0.00 0.00 0.00 47.33 47.44 2i50 h GLY 17 CO -0.39 0.02 -0.87 -0.57 0.00 0.00 0.00 176.54 174.72 2i50 h ASN 18 N 0.02 0.40 0.02 0.19 -1.24 -1.68 -3.31 115.58 109.96 2i50 h ASN 18 Ca -0.00 -0.31 0.02 0.00 0.71 0.00 0.00 56.30 56.72 2i50 h ASN 18 Cb 0.68 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.59 2i50 h ASN 18 CO 0.05 1.09 -0.11 -0.07 -1.29 0.00 0.00 177.43 177.10 2i50 h LEU 19 N 0.18 -0.32 -1.22 0.34 -0.00 -0.69 -2.79 115.31 110.81 2i50 h LEU 19 Ca -0.05 0.05 0.16 0.00 -0.00 0.00 0.00 57.88 58.03 2i50 h LEU 19 Cb 1.48 0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 42.20 2i50 h LEU 19 CO 0.14 -0.16 0.60 0.11 -0.00 0.00 0.00 178.44 179.12 2i50 h LYS 20 N -0.20 0.69 -0.00 1.13 6.56 -1.61 0.74 116.57 123.89 2i50 h LYS 20 Ca 0.04 -0.04 -0.17 0.00 -1.06 0.00 0.00 60.65 59.41 2i50 h LYS 20 Cb 0.24 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 2i50 h LYS 20 CO -0.10 0.46 -0.79 0.87 -2.06 0.00 0.00 179.45 177.82 2i50 h LYS 21 N 0.71 0.04 0.18 3.15 1.79 -1.65 -2.73 116.57 118.07 2i50 h LYS 21 Ca 0.49 -0.04 -0.30 0.00 -2.18 0.00 0.00 60.65 58.61 2i50 h LYS 21 Cb 0.79 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.47 2i50 h LYS 21 CO -0.25 0.81 -1.34 0.00 -1.08 0.00 0.00 179.45 177.59 2i50 h ALA 22 N 1.18 -0.02 0.00 3.86 0.00 -0.74 -3.12 119.26 120.43 2i50 h ALA 22 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2i50 h ALA 22 Cb 1.40 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2i50 h ALA 22 CO 0.11 0.85 0.00 1.28 0.00 0.00 0.00 179.25 181.48 2i50 n LEU 23 N -3.62 0.23 -0.04 0.00 4.77 -0.01 -1.19 117.00 117.15 2i50 n LEU 23 Ca -0.12 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2i50 n LEU 23 Cb 1.06 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2i50 n LEU 23 CO 0.57 -0.32 0.70 0.58 -1.33 0.00 0.00 177.39 177.59 2i50 h VAL 24 N 0.00 1.29 -0.47 4.08 2.07 -1.42 -3.30 116.25 118.51 2i50 h VAL 24 Ca 0.00 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2i50 h VAL 24 Cb 0.32 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2i50 h VAL 24 CO 0.00 0.27 0.00 0.59 0.02 0.00 0.00 177.57 178.45 2i50 n ASN 25 N -4.75 4.07 -4.87 0.57 3.02 -0.75 -4.98 115.26 107.57 2i50 n ASN 25 Ca -0.06 -2.49 -0.30 0.00 -0.03 0.00 0.00 54.58 51.70 2i50 n ASN 25 Cb 0.24 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.90 3.75 -0.28 2.41 0.11 -0.33 -5.04 120.40 119.12 2i50 s VAL 26 Ca 0.41 0.57 0.01 0.00 -2.93 0.00 0.00 61.98 60.04 2i50 s VAL 26 Cb 0.28 -3.52 0.08 0.00 -1.53 0.00 0.00 36.38 31.70 2i50 s VAL 26 CO 0.18 -0.74 0.02 -0.70 -3.33 0.00 0.00 175.10 170.53 2i50 s GLU 27 N -5.27 1.29 0.01 1.54 2.56 -1.26 -5.02 118.70 112.54 2i50 s GLU 27 Ca 0.58 -1.22 -0.30 0.00 0.00 0.00 0.00 54.97 54.03 2i50 s GLU 27 Cb -0.12 -2.55 -0.05 0.00 2.00 0.00 0.00 34.13 33.41 2i50 s GLU 27 CO 0.53 -0.80 1.36 -1.58 -0.56 0.00 0.00 175.26 174.21 2i50 s TRP 28 N 1.35 2.98 -0.75 5.30 0.52 -1.26 -2.26 118.94 124.82 2i50 s TRP 28 Ca 0.03 0.92 0.00 0.00 0.02 0.00 0.00 56.10 57.07 2i50 s TRP 28 Cb -0.18 -3.61 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 2i50 s TRP 28 CO -0.12 -2.20 0.00 0.09 0.02 0.00 0.00 176.95 174.73 2i50 n ASN 29 N 5.10 -3.97 -3.78 2.95 4.13 -1.26 -4.98 115.26 113.46 2i50 n ASN 29 Ca 0.12 0.18 -0.27 0.00 1.68 0.00 0.00 54.58 56.29 2i50 n ASN 29 Cb 0.44 -2.10 -0.17 0.00 -1.54 0.00 0.00 39.78 36.42 2i50 n ASN 29 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2i50 s ILE 30 N -2.22 0.65 -0.34 2.41 1.01 -0.96 -4.95 121.20 116.80 2i50 s ILE 30 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 60.65 59.81 2i50 s ILE 30 Cb 0.00 -1.05 -0.09 0.00 0.01 0.00 0.00 42.46 41.33 2i50 s ILE 30 CO 0.00 -0.09 2.25 0.00 0.00 0.00 0.00 174.94 177.10 2i50 h GLN 32 N 14.29 0.70 0.00 0.00 4.20 -1.41 0.19 115.11 133.08 2i50 h GLN 32 Ca -0.31 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2i50 h GLN 32 Cb 1.28 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2i50 h GLN 32 CO 1.03 0.46 0.00 -3.47 -0.67 0.00 0.00 178.83 176.18 2i50 n ASP 33 N -4.47 0.63 0.07 1.46 2.03 -1.15 -0.69 116.55 114.42 2i50 n ASP 33 Ca 0.09 0.67 -0.20 0.00 0.52 0.00 0.00 54.79 55.87 2i50 n ASP 33 Cb 0.19 -0.80 -0.15 0.00 -0.72 0.00 0.00 41.12 39.65 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 0.09 0.01 -0.35 0.00 2.10 -0.94 -2.75 116.57 114.73 2i50 h LYS 35 Ca -0.29 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2i50 h LYS 35 Cb 2.07 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.41 2i50 h LYS 35 CO 0.18 0.95 0.00 0.25 -2.00 0.00 0.00 179.45 178.83 2i50 n THR 36 N -3.32 0.46 -2.69 0.07 -2.24 0.13 -4.67 114.28 102.02 2i50 n THR 36 Ca -0.02 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 2i50 n THR 36 Cb 0.96 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.36 6.46 0.00 3.42 2.15 -1.04 -4.88 116.67 121.42 2i50 s ASP 37 Ca 0.35 -1.44 0.00 0.00 0.43 0.00 0.00 52.55 51.89 2i50 s ASP 37 Cb 0.19 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 2i50 s ASP 37 CO 0.27 -1.42 0.00 0.59 -0.17 0.00 0.00 175.17 174.44 2i50 n ASN 38 N 8.20 0.00 0.00 -0.34 3.02 -1.26 -4.59 115.26 120.28 2i50 n ASN 38 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 2i50 n ASN 38 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.00 0.00 -2.47 3.52 5.02 -1.26 -4.48 118.16 118.48 2i50 n LYS 39 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2i50 n LYS 39 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 2i50 n LYS 39 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2i50 n VAL 40 N 0.00 0.00 0.22 -0.18 0.24 -1.26 -5.04 118.33 112.30 2i50 n VAL 40 Ca 0.00 -1.26 0.05 0.00 -2.04 0.00 0.00 64.34 61.09 2i50 n VAL 40 Cb 0.00 -0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 31.76 2i50 n VAL 40 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2i50 n LYS 41 N -1.63 1.68 -0.19 7.34 5.02 -1.26 -4.71 118.16 124.40 2i50 n LYS 41 Ca 0.06 -0.06 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 2i50 n LYS 41 Cb 0.38 -1.15 0.05 0.00 -0.02 0.00 0.00 35.03 34.28 2i50 n LYS 41 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2i50 h ASP 42 N 0.00 -0.66 -0.47 4.39 3.32 -1.93 0.44 116.42 121.51 2i50 h ASP 42 Ca 0.00 0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 2i50 h ASP 42 Cb 0.40 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 2i50 h ASP 42 CO 0.00 -0.22 0.13 0.11 -1.72 0.00 0.00 179.24 177.53 2i50 h LYS 43 N -0.04 0.75 -0.04 3.56 1.79 -1.84 0.11 116.57 120.85 2i50 h LYS 43 Ca 0.27 -0.17 -0.11 0.00 -2.18 0.00 0.00 60.65 58.45 2i50 h LYS 43 Cb 0.46 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 2i50 h LYS 43 CO -0.62 0.73 -0.50 0.00 -1.08 0.00 0.00 179.45 177.98 2i50 h ALA 44 N 0.99 1.08 -0.39 3.86 0.00 -1.64 -2.43 119.26 120.74 2i50 h ALA 44 Ca 0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2i50 h ALA 44 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2i50 h ALA 44 CO -0.00 0.65 0.03 0.39 0.00 0.00 0.00 179.25 180.31 2i50 n GLU 45 N -3.94 3.41 -3.23 0.00 1.02 0.15 -4.94 120.64 113.11 2i50 n GLU 45 Ca -0.02 -2.02 -0.22 0.00 -0.02 0.00 0.00 57.16 54.88 2i50 n GLU 45 Cb 0.53 -1.98 0.02 0.00 -0.02 0.00 0.00 31.44 29.99 2i50 n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2i50 n GLU 46 N 0.34 -1.95 -0.23 3.49 0.28 -0.60 -4.91 120.64 117.06 2i50 n GLU 46 Ca 0.19 1.63 -0.06 0.00 -0.16 0.00 0.00 57.16 58.76 2i50 n GLU 46 Cb 0.89 -3.14 0.08 0.00 1.43 0.00 0.00 31.44 30.69 2i50 n GLU 46 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 2i50 h GLU 47 N 2.35 1.09 -4.75 3.44 4.81 -1.21 -3.49 114.58 116.83 2i50 h GLU 47 Ca -0.29 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2i50 h GLU 47 Cb 1.14 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2i50 h GLU 47 CO 0.18 0.96 -0.67 2.41 -0.73 0.00 0.00 179.01 181.15 2i50 n THR 48 N -4.24 -9.87 -2.59 0.32 -1.04 -1.26 -5.03 114.28 90.57 2i50 n THR 48 Ca 0.05 1.25 -0.30 0.00 -2.04 0.00 0.00 64.05 63.01 2i50 n THR 48 Cb 0.25 -6.47 -0.02 0.00 -1.82 0.00 0.00 70.33 62.28 2i50 n THR 48 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2i50 s GLU 49 N -1.63 3.72 0.18 -2.82 1.03 -1.26 -4.99 118.70 112.94 2i50 s GLU 49 Ca 0.06 0.52 -0.32 0.00 0.03 0.00 0.00 54.97 55.27 2i50 s GLU 49 Cb -0.02 -2.30 -0.11 0.00 -0.80 0.00 0.00 34.13 30.90 2i50 s GLU 49 CO 0.63 -0.19 1.70 -1.21 -1.33 0.00 0.00 175.26 174.86 2i50 s GLU 50 N -4.28 4.15 -0.91 -4.83 2.02 -1.26 -4.72 118.70 108.87 2i50 s GLU 50 Ca 0.52 2.54 -0.29 0.00 0.02 0.00 0.00 54.97 57.76 2i50 s GLU 50 Cb -0.10 -3.17 -0.20 0.00 0.10 0.00 0.00 34.13 30.76 2i50 s GLU 50 CO 0.38 -0.73 2.63 1.63 0.02 0.00 0.00 175.26 179.19 2i50 n LYS 51 N 4.22 0.18 -3.27 1.61 4.01 -1.26 -4.88 118.16 118.78 2i50 n LYS 51 Ca 0.16 -0.01 -0.23 0.00 -0.51 0.00 0.00 58.31 57.71 2i50 n LYS 51 Cb 0.36 -1.84 -0.01 0.00 -0.51 0.00 0.00 35.03 33.04 2i50 n LYS 51 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2i50 s PRO 52 N 8.81 3.37 0.13 1.97 0.04 -1.26 -5.02 135.00 143.04 2i50 s PRO 52 Ca 1.29 -0.39 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2i50 s PRO 52 Cb -1.05 -2.64 -0.07 0.00 0.04 0.00 0.00 34.50 30.79 2i50 s PRO 52 CO 0.45 0.03 1.17 -1.54 0.04 0.00 0.00 177.00 177.15 2i50 s SER 53 N -4.09 7.13 -0.37 6.66 1.04 -1.26 -4.90 113.70 117.92 2i50 s SER 53 Ca 0.42 2.11 -0.07 0.00 0.48 0.00 0.00 55.95 58.89 2i50 s SER 53 Cb -0.10 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.48 2i50 s SER 53 CO 0.36 -0.37 0.16 -0.69 0.98 0.00 0.00 173.24 173.69 2i50 s VAL 54 N 0.33 3.92 -0.24 5.02 1.01 -1.26 0.32 120.40 129.50 2i50 s VAL 54 Ca 0.54 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2i50 s VAL 54 Cb -0.30 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2i50 s VAL 54 CO 0.33 -0.32 0.16 0.26 0.00 0.00 0.00 175.10 175.54 2i50 s TRP 55 N 1.40 3.30 -0.23 5.22 0.52 0.10 -0.11 118.94 129.14 2i50 s TRP 55 Ca 0.01 0.20 -0.14 0.00 0.02 0.00 0.00 56.10 56.19 2i50 s TRP 55 Cb -0.21 -2.28 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 2i50 s TRP 55 CO 0.02 0.03 0.32 -1.17 0.02 0.00 0.00 176.95 176.18 2i50 s LEU 56 N 1.14 4.11 -0.22 2.99 2.96 0.10 -0.50 118.68 129.26 2i50 s LEU 56 Ca 0.07 0.34 -0.28 0.00 -0.22 0.00 0.00 54.13 54.03 2i50 s LEU 56 Cb -0.14 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2i50 s LEU 56 CO 0.05 -0.07 2.03 0.00 -1.32 0.00 0.00 176.35 177.05 2i50 n LEU 58 N 10.63 0.00 -0.04 0.00 4.77 0.20 0.40 117.00 132.96 2i50 n LEU 58 Ca 0.26 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.41 2i50 n LEU 58 Cb 0.45 -0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 2i50 n LEU 58 CO 0.67 -0.15 -0.42 0.50 -1.33 0.00 0.00 177.39 176.66 2i50 h LYS 59 N 0.00 0.13 0.00 3.23 1.63 -1.03 -2.52 116.57 118.01 2i50 h LYS 59 Ca 0.00 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2i50 h LYS 59 Cb 0.23 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 2i50 h LYS 59 CO 0.00 1.11 0.00 0.00 -3.45 0.00 0.00 179.45 177.11 2i50 n GLY 61 N -0.13 0.49 3.64 0.00 0.00 0.16 -4.68 105.19 104.67 2i50 n GLY 61 Ca 0.00 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2i50 n GLY 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2i50 s HIS 62 N -2.33 3.32 -0.07 1.61 5.04 -1.25 -4.68 115.29 116.93 2i50 s HIS 62 Ca 0.00 0.64 -0.22 0.00 -1.54 0.00 0.00 55.06 53.94 2i50 s HIS 62 Cb 0.00 -2.63 -0.04 0.00 0.04 0.00 0.00 32.58 29.95 2i50 s HIS 62 CO 0.00 -0.15 0.62 -0.65 -2.34 0.00 0.00 174.74 172.22 2i50 s GLN 63 N 1.82 4.39 0.05 2.88 1.11 -1.26 -0.13 119.66 128.53 2i50 s GLN 63 Ca 0.20 0.74 0.04 0.00 0.01 0.00 0.00 55.36 56.35 2i50 s GLN 63 Cb -0.15 -3.42 -0.03 0.00 -1.01 0.00 0.00 33.01 28.40 2i50 s GLN 63 CO 0.09 0.15 -0.11 0.20 0.01 0.00 0.00 175.29 175.63 2i50 s GLY 64 N 0.55 0.67 0.02 3.09 0.00 0.34 -1.13 107.32 110.85 2i50 s GLY 64 Ca 0.33 -0.87 -0.23 0.00 0.00 0.00 0.00 44.72 43.96 2i50 s GLY 64 CO 0.16 -0.90 0.69 0.00 0.00 0.00 0.00 173.10 173.05 2i50 n GLY 66 N 2.44 0.29 0.18 0.00 0.00 0.15 -1.56 105.19 106.69 2i50 n GLY 66 Ca -0.04 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.70 2i50 n GLY 66 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2i50 h ARG 67 N 0.00 0.00 -0.74 1.61 3.08 -1.94 -2.78 114.38 113.61 2i50 h ARG 67 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2i50 h ARG 67 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2i50 h ARG 67 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 2i50 n ASN 68 N -2.55 3.59 -4.59 7.04 3.02 -1.26 -4.86 115.26 115.65 2i50 n ASN 68 Ca 0.02 -2.49 -0.26 0.00 -0.03 0.00 0.00 54.58 51.82 2i50 n ASN 68 Cb 0.29 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 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 -0.48 3.89 0.11 6.41 1.04 -1.05 -4.55 113.70 119.08 2i50 s SER 69 Ca 0.31 -1.22 -0.11 0.00 0.48 0.00 0.00 55.95 55.41 2i50 s SER 69 Cb 0.23 -0.40 -0.12 0.00 0.10 0.00 0.00 66.02 65.82 2i50 s SER 69 CO 0.10 -0.31 1.32 -0.61 0.98 0.00 0.00 173.24 174.72 2i50 h GLN 70 N 1.87 0.75 0.08 4.02 4.15 -1.89 -3.35 115.11 120.74 2i50 h GLN 70 Ca -0.43 -0.61 -0.31 0.00 0.77 0.00 0.00 58.65 58.08 2i50 h GLN 70 Cb 1.25 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 2i50 h GLN 70 CO 0.73 1.22 -1.62 0.93 -1.93 0.00 0.00 178.83 178.16 2i50 h GLU 71 N 0.51 0.18 -6.14 1.69 4.39 -1.94 -3.48 114.58 109.79 2i50 h GLU 71 Ca -0.05 -0.30 -0.43 0.00 0.34 0.00 0.00 59.36 58.92 2i50 h GLU 71 Cb 1.40 0.11 0.04 0.00 -0.10 0.00 0.00 28.75 30.20 2i50 h GLU 71 CO 0.16 0.98 -0.83 1.04 -1.16 0.00 0.00 179.01 179.19 2i50 n GLN 72 N -3.35 -4.75 0.05 2.33 6.02 -1.26 -4.81 117.38 111.61 2i50 n GLN 72 Ca -0.18 0.59 0.04 0.00 -0.01 0.00 0.00 57.00 57.45 2i50 n GLN 72 Cb 1.04 -5.11 0.46 0.00 1.02 0.00 0.00 30.24 27.64 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 -1.87 0.43 -0.51 1.08 3.86 -1.73 -0.45 115.15 115.96 2i50 h HIS 73 Ca -0.61 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 58.54 2i50 h HIS 73 Cb 1.36 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.67 2i50 h HIS 73 CO 0.47 0.28 0.04 0.00 0.86 0.00 0.00 177.93 179.58 2i50 h ALA 74 N 1.78 1.12 -0.07 2.45 0.00 -1.52 0.46 119.26 123.48 2i50 h ALA 74 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2i50 h ALA 74 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2i50 h ALA 74 CO -0.02 0.57 -0.05 -0.07 0.00 0.00 0.00 179.25 179.67 2i50 h LEU 75 N 0.78 0.17 -1.28 0.00 -0.00 -1.37 -1.14 115.31 112.47 2i50 h LEU 75 Ca 0.16 -0.46 0.14 0.00 -0.00 0.00 0.00 57.88 57.72 2i50 h LEU 75 Cb 0.41 -0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 40.95 2i50 h LEU 75 CO 0.01 0.59 0.57 0.11 -0.00 0.00 0.00 178.44 179.73 2i50 h LYS 76 N -0.25 0.69 -0.31 1.13 1.57 -0.93 0.12 116.57 118.59 2i50 h LYS 76 Ca 0.01 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2i50 h LYS 76 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2i50 h LYS 76 CO 0.01 0.45 -0.31 1.25 -0.57 0.00 0.00 179.45 180.29 2i50 h HIS 77 N 0.71 0.77 -0.05 -1.35 2.76 -0.37 0.30 115.15 117.93 2i50 h HIS 77 Ca 0.44 -0.20 -0.17 0.00 -2.20 0.00 0.00 60.37 58.25 2i50 h HIS 77 Cb 0.69 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2i50 h HIS 77 CO -0.00 0.90 -0.71 -0.92 -1.30 0.00 0.00 177.93 175.90 2i50 h TYR 78 N 0.57 0.33 -0.00 5.26 3.20 -0.28 -2.90 116.97 123.14 2i50 h TYR 78 Ca 0.07 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2i50 h TYR 78 Cb 0.81 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2i50 h TYR 78 CO 0.04 0.87 -0.02 1.28 -1.64 0.00 0.00 178.16 178.69 2i50 n LEU 79 N -3.80 0.35 -4.65 2.82 4.77 0.32 -4.75 117.00 112.06 2i50 n LEU 79 Ca -0.03 -0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 2i50 n LEU 79 Cb 0.69 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2i50 n LEU 79 CO 0.46 0.06 1.38 -0.89 -1.33 0.00 0.00 177.39 177.06 2i50 s THR 80 N -2.13 3.63 -0.18 -5.08 2.01 0.99 -4.94 115.64 109.94 2i50 s THR 80 Ca 0.41 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 2i50 s THR 80 Cb 0.21 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 2i50 s THR 80 CO 0.39 -0.13 1.32 -2.16 -0.69 0.00 0.00 174.62 173.35 2i50 s PRO 81 N 4.29 4.15 0.34 4.92 0.04 -1.26 -4.95 135.00 142.53 2i50 s PRO 81 Ca 0.73 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 2i50 s PRO 81 Cb -0.30 -3.82 0.03 0.00 0.04 0.00 0.00 34.50 30.44 2i50 s PRO 81 CO 0.29 -0.83 0.64 -0.98 0.04 0.00 0.00 177.00 176.16 2i50 s ARG 82 N 3.73 1.97 0.05 4.56 1.70 -1.26 -5.07 118.95 124.64 2i50 s ARG 82 Ca 0.58 -1.44 -0.09 0.00 -0.47 0.00 0.00 55.73 54.30 2i50 s ARG 82 Cb -0.22 0.55 -0.32 0.00 -0.57 0.00 0.00 34.95 34.39 2i50 s ARG 82 CO 0.18 -0.88 1.05 0.77 -1.08 0.00 0.00 175.30 175.34 2i50 h SER 83 N 2.07 0.61 -3.87 -2.89 0.02 -2.05 -3.45 113.55 103.99 2i50 h SER 83 Ca -0.28 -0.67 -0.49 0.00 -0.84 0.00 0.00 61.79 59.51 2i50 h SER 83 Cb 1.25 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.60 2i50 h SER 83 CO 0.37 1.53 0.21 -1.61 -1.14 0.00 0.00 176.83 176.18 2i50 s GLU 84 N -2.63 3.82 -0.10 3.45 2.02 -1.26 -5.03 118.70 118.98 2i50 s GLU 84 Ca -0.07 0.63 -0.28 0.00 0.02 0.00 0.00 54.97 55.27 2i50 s GLU 84 Cb 0.06 -2.30 -0.24 0.00 0.10 0.00 0.00 34.13 31.74 2i50 s GLU 84 CO 0.91 -0.13 0.93 -1.00 0.02 0.00 0.00 175.26 175.99 2i50 h PRO 85 N 1.08 0.02 -6.01 0.39 0.13 -1.88 -3.48 132.00 122.25 2i50 h PRO 85 Ca -0.47 -0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.21 2i50 h PRO 85 Cb 1.19 0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.40 2i50 h PRO 85 CO 0.63 0.86 -0.73 0.72 -0.23 0.00 0.00 178.00 179.25 2i50 n HIS 86 N -4.66 -2.54 -0.05 1.56 8.25 -1.26 -4.87 115.22 111.64 2i50 n HIS 86 Ca -0.10 0.96 0.10 0.00 -0.26 0.00 0.00 57.72 58.42 2i50 n HIS 86 Cb 0.43 -4.62 0.28 0.00 1.12 0.00 0.00 29.99 27.20 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 -1.14 2.37 0.01 0.00 1.43 -1.26 -0.84 118.68 119.25 2i50 s LEU 88 Ca 0.42 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2i50 s LEU 88 Cb 0.23 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 2i50 s LEU 88 CO 0.27 -0.01 -0.07 0.68 0.23 0.00 0.00 176.35 177.45 2i50 s VAL 89 N 1.35 0.54 0.09 -1.59 -7.23 -0.67 0.61 120.40 113.50 2i50 s VAL 89 Ca 0.05 -0.46 0.05 0.00 -1.81 0.00 0.00 61.98 59.81 2i50 s VAL 89 Cb -0.13 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 2i50 s VAL 89 CO -0.10 0.04 -0.01 -1.48 -0.31 0.00 0.00 175.10 173.24 2i50 s LEU 90 N -0.47 3.43 -0.09 1.32 0.05 0.77 0.16 118.68 123.84 2i50 s LEU 90 Ca 0.00 -0.20 -0.19 0.00 0.05 0.00 0.00 54.13 53.79 2i50 s LEU 90 Cb -0.04 -2.17 -0.04 0.00 -2.05 0.00 0.00 46.19 41.89 2i50 s LEU 90 CO -0.00 0.17 0.52 -0.94 -0.55 0.00 0.00 176.35 175.55 2i50 s SER 91 N -2.31 6.76 -0.15 1.48 1.04 0.14 0.02 113.70 120.69 2i50 s SER 91 Ca 0.25 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.63 2i50 s SER 91 Cb -0.12 -2.31 0.31 0.00 0.10 0.00 0.00 66.02 64.01 2i50 s SER 91 CO 0.18 0.01 1.22 0.18 0.98 0.00 0.00 173.24 175.81 2i50 n LEU 92 N 3.48 3.83 0.01 2.42 4.77 0.84 -1.63 117.00 130.72 2i50 n LEU 92 Ca -0.07 -1.97 -0.02 0.00 -0.03 0.00 0.00 56.01 53.92 2i50 n LEU 92 Cb 0.52 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.99 2i50 n LEU 92 CO 0.43 0.58 -0.12 -0.67 -1.33 0.00 0.00 177.39 176.29 2i50 n ASP 93 N 0.02 0.85 -0.12 -1.43 2.03 -1.26 -4.81 116.55 111.83 2i50 n ASP 93 Ca 0.19 0.12 0.04 0.00 0.52 0.00 0.00 54.79 55.66 2i50 n ASP 93 Cb 0.83 -0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 2i50 n ASP 93 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2i50 n ASN 94 N -3.29 0.83 -2.82 1.67 2.85 -1.26 -5.00 115.26 108.24 2i50 n ASN 94 Ca -0.02 -0.92 -0.12 0.00 -0.11 0.00 0.00 54.58 53.41 2i50 n ASN 94 Cb 0.09 0.66 0.06 0.00 1.24 0.00 0.00 39.78 41.83 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 -0.61 -1.76 -3.53 1.20 7.02 -0.65 -5.03 117.44 114.09 2i50 n TRP 95 Ca 0.03 0.67 -0.21 0.00 -1.02 0.00 0.00 57.50 56.97 2i50 n TRP 95 Cb 0.15 -4.00 -0.02 0.00 -2.42 0.00 0.00 31.31 25.02 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 -3.63 5.04 -0.00 -0.99 0.01 -1.24 -4.83 113.70 108.05 2i50 s SER 96 Ca 0.18 -0.80 0.07 0.00 1.31 0.00 0.00 55.95 56.72 2i50 s SER 96 Cb -0.02 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 2i50 s SER 96 CO 0.55 -0.77 -0.23 -0.69 0.41 0.00 0.00 173.24 172.51 2i50 s VAL 97 N -2.52 1.85 -0.05 3.43 1.01 -1.24 0.27 120.40 123.14 2i50 s VAL 97 Ca 0.48 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.45 2i50 s VAL 97 Cb -0.04 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 2i50 s VAL 97 CO 0.28 0.47 -0.19 0.86 0.00 0.00 0.00 175.10 176.52 2i50 s TRP 98 N -0.60 1.90 -0.24 5.22 -0.11 0.12 0.01 118.94 125.25 2i50 s TRP 98 Ca 0.09 -0.58 0.02 0.00 1.22 0.00 0.00 56.10 56.85 2i50 s TRP 98 Cb -0.09 -1.28 0.05 0.00 -1.50 0.00 0.00 33.47 30.65 2i50 s TRP 98 CO -0.00 -0.20 -0.12 0.00 -4.62 0.00 0.00 176.95 172.00 2i50 h TYR 100 N 7.85 0.00 0.00 0.00 0.05 -1.27 0.55 116.97 124.15 2i50 h TYR 100 Ca -0.27 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.47 2i50 h TYR 100 Cb 1.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2i50 h TYR 100 CO 0.59 0.33 -0.62 -0.24 -1.05 0.00 0.00 178.16 177.17 2i50 h VAL 101 N 0.00 0.21 0.10 -2.88 3.04 -1.94 -3.04 116.25 111.73 2i50 h VAL 101 Ca -0.00 -1.33 -0.29 0.00 -1.01 0.00 0.00 66.70 64.07 2i50 h VAL 101 Cb 0.61 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2i50 h VAL 101 CO 0.04 0.12 -1.44 0.00 -1.01 0.00 0.00 177.57 175.28 2i50 n ASP 103 N -3.42 -4.47 -2.70 0.00 2.03 0.19 -5.02 116.55 103.15 2i50 n ASP 103 Ca -0.13 -0.32 -0.11 0.00 0.52 0.00 0.00 54.79 54.74 2i50 n ASP 103 Cb 1.03 -3.20 -0.01 0.00 -0.72 0.00 0.00 41.12 38.22 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 -1.24 -1.44 -4.69 1.67 6.94 -1.18 -5.02 115.26 110.30 2i50 n ASN 104 Ca -0.00 -2.59 -0.38 0.00 -0.02 0.00 0.00 54.58 51.58 2i50 n ASN 104 Cb 0.54 2.57 -0.06 0.00 -2.36 0.00 0.00 39.78 40.47 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 -2.52 4.27 0.26 -3.83 2.12 -1.26 -1.66 118.70 116.08 2i50 s GLU 105 Ca 0.22 0.40 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 2i50 s GLU 105 Cb -0.02 -3.49 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 2i50 s GLU 105 CO 0.16 0.03 0.56 0.08 -0.54 0.00 0.00 175.26 175.55 2i50 s VAL 106 N 1.06 4.96 -0.03 3.70 1.01 0.10 -4.95 120.40 126.25 2i50 s VAL 106 Ca 0.24 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.61 2i50 s VAL 106 Cb -0.15 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2i50 s VAL 106 CO 0.10 -0.18 -0.19 0.00 0.00 0.00 0.00 175.10 174.83 2i50 s GLN 107 N -3.12 1.70 0.11 2.72 0.00 -1.26 -3.72 119.66 116.09 2i50 s GLN 107 Ca 0.46 -0.67 0.06 0.00 -0.00 0.00 0.00 55.36 55.21 2i50 s GLN 107 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 33.01 31.30 2i50 s GLN 107 CO 0.25 0.35 -0.15 1.52 0.00 0.00 0.00 175.29 177.26 2i50 s TYR 108 N -0.27 1.45 -0.04 9.60 1.13 -1.26 -4.97 117.35 123.00 2i50 s TYR 108 Ca 0.03 -0.51 -0.29 0.00 -1.41 0.00 0.00 57.07 54.88 2i50 s TYR 108 Cb -0.09 -0.77 0.11 0.00 -1.10 0.00 0.00 41.96 40.11 2i50 s TYR 108 CO 0.01 0.15 0.91 0.00 -2.51 0.00 0.00 175.55 174.11 2i50 n SER 110 N -0.05 0.00 -1.04 0.00 7.64 -1.26 -2.79 113.62 116.12 2i50 n SER 110 Ca -0.09 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.78 2i50 n SER 110 Cb 0.61 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 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 -2.44 3.02 -4.74 6.43 7.64 -1.26 -4.62 113.62 117.66 2i50 n SER 111 Ca 0.00 -2.05 -0.41 0.00 1.01 0.00 0.00 58.87 57.42 2i50 n SER 111 Cb 0.00 -0.51 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 2i50 n SER 111 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2i50 s ASN 112 N 0.93 7.19 0.40 6.43 3.84 -1.12 -4.89 114.94 127.72 2i50 s ASN 112 Ca 0.02 2.13 0.13 0.00 0.21 0.00 0.00 52.86 55.34 2i50 s ASN 112 Cb 0.01 -2.60 0.95 0.00 -0.55 0.00 0.00 41.25 39.06 2i50 s ASN 112 CO 0.00 -0.29 1.91 -0.61 -2.79 0.00 0.00 177.10 175.32 2i50 h GLN 113 N 5.30 0.52 -0.53 0.43 4.15 -1.91 0.79 115.11 123.86 2i50 h GLN 113 Ca -0.44 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 58.84 2i50 h GLN 113 Cb 1.21 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2i50 h GLN 113 CO 0.74 0.34 -0.08 1.25 -1.93 0.00 0.00 178.83 179.15 2i50 h LEU 114 N 0.53 0.99 -0.31 -2.39 5.85 -1.94 0.24 115.31 118.28 2i50 h LEU 114 Ca 0.38 -0.34 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 2i50 h LEU 114 Cb 0.73 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2i50 h LEU 114 CO -0.14 1.10 -0.36 1.23 -0.34 0.00 0.00 178.44 179.93 2i50 h GLY 115 N 0.86 0.87 0.47 3.75 0.00 -1.38 -1.21 103.07 106.43 2i50 h GLY 115 Ca 0.14 -0.92 0.08 0.00 0.00 0.00 0.00 47.33 46.63 2i50 h GLY 115 CO 0.04 0.83 0.21 1.46 0.00 0.00 0.00 176.54 179.08 2i50 h GLN 116 N 0.57 0.38 0.00 4.80 4.20 -0.55 0.60 115.11 125.11 2i50 h GLN 116 Ca 0.04 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 2i50 h GLN 116 Cb 0.95 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.65 2i50 h GLN 116 CO 0.09 0.25 -0.41 0.28 -0.67 0.00 0.00 178.83 178.37 2i50 h VAL 117 N 0.39 1.50 -0.41 -0.54 2.07 -0.87 0.06 116.25 118.45 2i50 h VAL 117 Ca 0.27 -2.03 0.04 0.00 0.82 0.00 0.00 66.70 65.80 2i50 h VAL 117 Cb 0.31 2.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2i50 h VAL 117 CO -0.27 0.57 0.28 0.58 0.02 0.00 0.00 177.57 178.75 2i50 h VAL 118 N -0.35 1.01 -0.24 2.57 2.07 -1.12 0.47 116.25 120.66 2i50 h VAL 118 Ca -0.05 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2i50 h VAL 118 Cb 1.15 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2i50 h VAL 118 CO 0.08 0.07 -0.13 -0.78 0.02 0.00 0.00 177.57 176.84 2i50 h ASP 119 N 0.41 0.54 -0.02 0.57 3.58 -0.71 0.66 116.42 121.44 2i50 h ASP 119 Ca 0.17 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.20 2i50 h ASP 119 Cb 0.17 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 2i50 h ASP 119 CO -0.04 0.83 0.01 0.22 -2.88 0.00 0.00 179.24 177.38 2i50 h TYR 120 N 0.24 0.02 0.00 0.28 3.20 0.30 -1.13 116.97 119.87 2i50 h TYR 120 Ca 0.05 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 2i50 h TYR 120 Cb 0.64 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2i50 h TYR 120 CO 0.06 0.11 -0.28 -0.39 -1.64 0.00 0.00 178.16 176.02 2i50 h VAL 121 N -0.07 0.70 -0.13 1.81 -1.51 -0.08 0.57 116.25 117.55 2i50 h VAL 121 Ca 0.01 -1.26 -0.14 0.00 -1.23 0.00 0.00 66.70 64.08 2i50 h VAL 121 Cb 0.10 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2i50 h VAL 121 CO -0.00 0.28 -0.52 -0.09 -1.23 0.00 0.00 177.57 176.01 2i50 h ARG 122 N 0.00 0.35 0.00 5.19 2.43 -0.36 0.33 114.38 122.32 2i50 h ARG 122 Ca -0.00 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.91 2i50 h ARG 122 Cb 0.79 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2i50 h ARG 122 CO 0.04 0.78 -0.25 0.87 -1.51 0.00 0.00 179.97 179.90 2i50 h LYS 123 N 0.27 0.00 0.01 0.20 1.57 0.16 0.18 116.57 118.97 2i50 h LYS 123 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2i50 h LYS 123 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2i50 h LYS 123 CO 0.09 0.25 -0.01 1.96 -0.57 0.00 0.00 179.45 181.17 2i50 h GLN 124 N 0.00 -0.02 -0.47 3.15 1.08 -0.18 -3.32 115.11 115.35 2i50 h GLN 124 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 2i50 h GLN 124 Cb 0.90 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2i50 h GLN 124 CO 0.03 0.67 -0.18 0.00 -0.95 0.00 0.00 178.83 178.40 2i50 h ALA 125 N 0.22 0.78 0.00 3.87 0.00 -0.32 -3.51 119.26 120.30 2i50 h ALA 125 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2i50 h ALA 125 Cb 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2i50 h ALA 125 CO 0.00 0.66 0.00 0.45 0.00 0.00 0.00 179.25 180.36