#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 -1.70 -3.29 0.52 3.14 -1.26 -4.96 118.33 110.77 2i50 n VAL 6 Ca 0.00 1.08 -0.33 0.00 -2.96 0.00 0.00 64.34 62.12 2i50 n VAL 6 Cb 0.00 -1.72 -0.06 0.00 -1.06 0.00 0.00 33.84 31.00 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 0.16 3.04 -0.75 0.00 3.00 -1.26 -4.35 116.66 116.49 2i50 n ARG 8 Ca -0.01 -2.45 -0.03 0.00 -0.01 0.00 0.00 57.85 55.36 2i50 n ARG 8 Cb 0.52 -1.55 0.21 0.00 0.00 0.00 0.00 32.46 31.64 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 0.41 1.18 0.41 -1.55 8.25 -1.26 -4.70 115.22 117.97 2i50 n HIS 9 Ca 0.17 -1.46 -0.19 0.00 -0.26 0.00 0.00 57.72 55.99 2i50 n HIS 9 Cb 0.65 -0.48 -0.09 0.00 1.12 0.00 0.00 29.99 31.18 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 1.17 0.18 0.00 1.59 1.08 -1.96 -1.31 117.51 118.26 2i50 h ILE 10 Ca 0.20 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.62 2i50 h ILE 10 Cb 1.69 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2i50 h ILE 10 CO 0.40 0.00 -0.23 0.03 -0.69 0.00 0.00 178.15 177.66 2i50 h ARG 11 N -1.07 0.00 0.00 2.37 3.08 -1.84 0.53 114.38 117.45 2i50 h ARG 11 Ca -0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 2i50 h ARG 11 Cb 0.84 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 2i50 h ARG 11 CO 0.14 0.23 -0.61 0.87 -1.07 0.00 0.00 179.97 179.53 2i50 h LYS 12 N 0.00 0.00 -0.04 0.04 1.57 -1.81 -3.27 116.57 113.06 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2i50 h LYS 12 CO 0.03 0.61 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 2i50 n GLY 13 N 0.26 -0.04 2.78 3.86 0.00 -0.52 -3.79 105.19 107.73 2i50 n GLY 13 Ca -0.01 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.52 1.27 -0.45 0.99 0.20 0.18 -0.66 118.68 119.68 2i50 s LEU 14 Ca 0.06 -0.74 0.02 0.00 0.69 0.00 0.00 54.13 54.17 2i50 s LEU 14 Cb 0.04 -0.66 0.14 0.00 -0.43 0.00 0.00 46.19 45.27 2i50 s LEU 14 CO 0.06 -0.27 0.25 -0.70 -0.29 0.00 0.00 176.35 175.40 2i50 s GLU 15 N 1.81 1.35 0.49 1.98 2.56 -1.11 -4.42 118.70 121.36 2i50 s GLU 15 Ca -0.00 -2.09 0.26 0.00 0.00 0.00 0.00 54.97 53.14 2i50 s GLU 15 Cb -0.16 -2.38 1.34 0.00 2.00 0.00 0.00 34.13 34.92 2i50 s GLU 15 CO -0.07 -1.17 1.88 1.96 -0.56 0.00 0.00 175.26 177.29 2i50 h GLN 16 N 6.62 0.14 -0.26 4.30 4.20 -1.85 -1.35 115.11 126.92 2i50 h GLN 16 Ca 0.01 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2i50 h GLN 16 Cb 0.92 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 2i50 h GLN 16 CO 0.50 0.10 0.07 0.78 -0.67 0.00 0.00 178.83 179.60 2i50 h GLY 17 N 0.15 0.30 1.37 3.46 0.00 -1.94 -2.46 103.07 103.95 2i50 h GLY 17 Ca 0.44 -0.04 -0.14 0.00 0.00 0.00 0.00 47.33 47.60 2i50 h GLY 17 CO -0.08 0.01 -0.36 3.43 0.00 0.00 0.00 176.54 179.54 2i50 h ASN 18 N 0.18 0.74 -0.30 0.19 2.35 -1.51 -3.27 115.58 113.95 2i50 h ASN 18 Ca 0.12 -0.32 0.07 0.00 -0.55 0.00 0.00 56.30 55.62 2i50 h ASN 18 Cb 0.10 -0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.18 2i50 h ASN 18 CO -0.14 1.03 -0.30 -0.07 -1.65 0.00 0.00 177.43 176.31 2i50 h LEU 19 N 0.58 -0.97 -0.89 1.61 -0.00 -1.30 0.68 115.31 115.03 2i50 h LEU 19 Ca 0.06 0.17 0.05 0.00 -0.00 0.00 0.00 57.88 58.15 2i50 h LEU 19 Cb 0.89 0.45 -0.06 0.00 -0.00 0.00 0.00 40.66 41.94 2i50 h LEU 19 CO 0.08 -0.31 0.56 0.11 -0.00 0.00 0.00 178.44 178.88 2i50 h LYS 20 N -0.28 1.03 0.06 1.13 1.79 -1.54 -0.67 116.57 118.09 2i50 h LYS 20 Ca 0.15 -0.06 -0.27 0.00 -2.18 0.00 0.00 60.65 58.29 2i50 h LYS 20 Cb 0.52 -0.23 0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2i50 h LYS 20 CO -0.46 0.68 -1.11 0.87 -1.08 0.00 0.00 179.45 178.35 2i50 h LYS 21 N 1.06 0.51 0.01 3.15 1.79 -0.96 -2.99 116.57 119.14 2i50 h LYS 21 Ca 0.37 -0.63 -0.23 0.00 -2.18 0.00 0.00 60.65 57.98 2i50 h LYS 21 Cb 0.09 0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2i50 h LYS 21 CO -0.15 1.25 -1.13 0.00 -1.08 0.00 0.00 179.45 178.35 2i50 h ALA 22 N 0.51 0.38 0.00 3.86 0.00 0.42 -3.11 119.26 121.32 2i50 h ALA 22 Ca -0.13 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2i50 h ALA 22 Cb 1.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2i50 h ALA 22 CO 0.20 1.27 0.00 -0.07 0.00 0.00 0.00 179.25 180.65 2i50 h LEU 23 N 0.01 0.00 -0.85 0.00 3.38 -1.13 -1.89 115.31 114.83 2i50 h LEU 23 Ca -0.06 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.02 2i50 h LEU 23 Cb 1.83 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.50 2i50 h LEU 23 CO 0.13 0.00 0.48 0.58 0.09 0.00 0.00 178.44 179.72 2i50 h VAL 24 N 0.00 0.86 -0.26 1.22 2.07 -1.45 -3.05 116.25 115.64 2i50 h VAL 24 Ca 0.00 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2i50 h VAL 24 Cb 0.51 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 2i50 h VAL 24 CO 0.00 0.14 -0.00 0.59 0.02 0.00 0.00 177.57 178.32 2i50 n ASN 25 N -4.76 3.62 -4.86 0.57 3.02 -0.72 -5.01 115.26 107.12 2i50 n ASN 25 Ca 0.15 -3.13 -0.32 0.00 -0.03 0.00 0.00 54.58 51.26 2i50 n ASN 25 Cb 0.33 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 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 -2.89 4.72 -0.47 2.41 -7.23 -1.12 -5.02 120.40 110.80 2i50 s VAL 26 Ca 0.42 0.83 -0.05 0.00 -1.81 0.00 0.00 61.98 61.37 2i50 s VAL 26 Cb 0.35 -3.65 0.12 0.00 0.56 0.00 0.00 36.38 33.76 2i50 s VAL 26 CO 0.07 -0.30 0.29 -1.83 -0.31 0.00 0.00 175.10 173.03 2i50 s GLU 27 N -3.27 2.26 0.15 4.82 1.03 -1.26 -5.06 118.70 117.36 2i50 s GLU 27 Ca 0.53 -1.91 -0.31 0.00 0.03 0.00 0.00 54.97 53.30 2i50 s GLU 27 Cb -0.10 -3.73 -0.11 0.00 -0.80 0.00 0.00 34.13 29.39 2i50 s GLU 27 CO 0.22 -1.13 1.79 -1.58 -1.33 0.00 0.00 175.26 173.22 2i50 s TRP 28 N 1.03 2.42 -0.34 4.83 0.52 -1.26 -2.04 118.94 124.09 2i50 s TRP 28 Ca 0.09 0.12 0.00 0.00 0.02 0.00 0.00 56.10 56.33 2i50 s TRP 28 Cb -0.23 -4.16 0.00 0.00 -1.15 0.00 0.00 33.47 27.93 2i50 s TRP 28 CO -0.03 -4.63 0.00 -1.71 0.02 0.00 0.00 176.95 170.60 2i50 n ASN 29 N 5.10 -3.84 -3.96 2.95 2.85 -1.26 -4.96 115.26 112.13 2i50 n ASN 29 Ca 0.17 0.08 -0.31 0.00 -0.11 0.00 0.00 54.58 54.41 2i50 n ASN 29 Cb 0.37 -1.63 -0.15 0.00 1.24 0.00 0.00 39.78 39.61 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 -1.97 1.68 -0.51 -1.44 1.01 -0.87 -4.94 121.20 114.16 2i50 s ILE 30 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 60.65 58.91 2i50 s ILE 30 Cb 0.00 -1.97 -0.12 0.00 0.01 0.00 0.00 42.46 40.39 2i50 s ILE 30 CO 0.00 -0.18 2.37 0.00 0.00 0.00 0.00 174.94 177.13 2i50 n GLN 32 N 8.55 0.14 0.10 0.00 10.64 -0.02 -0.35 117.38 136.44 2i50 n GLN 32 Ca 0.44 0.40 0.13 0.00 -1.83 0.00 0.00 57.00 56.14 2i50 n GLN 32 Cb 0.30 -1.78 0.37 0.00 -0.86 0.00 0.00 30.24 28.28 2i50 n GLN 32 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2i50 n ASP 33 N -2.04 0.80 0.12 2.61 2.03 -1.02 -3.16 116.55 115.90 2i50 n ASP 33 Ca 0.02 0.51 -0.20 0.00 0.52 0.00 0.00 54.79 55.65 2i50 n ASP 33 Cb 0.20 -0.66 -0.15 0.00 -0.72 0.00 0.00 41.12 39.79 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 0.10 0.25 -0.58 0.00 2.10 -1.49 0.40 116.57 117.36 2i50 h LYS 35 Ca -0.19 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2i50 h LYS 35 Cb 2.06 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 2i50 h LYS 35 CO 0.23 0.54 0.00 0.25 -2.00 0.00 0.00 179.45 178.47 2i50 n THR 36 N -4.11 1.06 -2.28 0.07 -2.24 -1.25 -4.77 114.28 100.76 2i50 n THR 36 Ca -0.01 -0.80 -0.34 0.00 -2.27 0.00 0.00 64.05 60.63 2i50 n THR 36 Cb 0.40 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.89 5.77 -0.15 3.42 -1.08 0.13 -4.70 116.67 119.16 2i50 s ASP 37 Ca 0.37 -1.54 0.11 0.00 -0.52 0.00 0.00 52.55 50.97 2i50 s ASP 37 Cb 0.22 -2.58 0.60 0.00 -1.46 0.00 0.00 42.92 39.70 2i50 s ASP 37 CO 0.21 -2.24 1.43 0.59 0.52 0.00 0.00 175.17 175.68 2i50 n ASN 38 N 11.81 4.34 0.03 -0.34 5.03 -1.26 -3.91 115.26 130.96 2i50 n ASN 38 Ca 0.42 -2.60 -0.10 0.00 0.87 0.00 0.00 54.58 53.16 2i50 n ASN 38 Cb 0.47 -0.60 -0.08 0.00 -1.02 0.00 0.00 39.78 38.55 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 2i50 h LYS 39 N 3.03 -0.17 -7.10 3.52 1.57 -1.98 -3.44 116.57 111.99 2i50 h LYS 39 Ca 0.00 0.01 -0.47 0.00 -1.87 0.00 0.00 60.65 58.32 2i50 h LYS 39 Cb 1.50 0.04 0.03 0.00 0.08 0.00 0.00 32.23 33.88 2i50 h LYS 39 CO 0.32 0.30 0.38 0.14 -0.57 0.00 0.00 179.45 180.02 2i50 s VAL 40 N -3.18 3.83 -0.21 0.50 -7.23 -1.25 -4.99 120.40 107.87 2i50 s VAL 40 Ca -0.12 1.07 0.05 0.00 -1.81 0.00 0.00 61.98 61.17 2i50 s VAL 40 Cb 0.00 -3.45 -0.16 0.00 0.56 0.00 0.00 36.38 33.33 2i50 s VAL 40 CO 0.47 -0.31 -0.13 0.29 -0.31 0.00 0.00 175.10 175.11 2i50 n LYS 41 N -1.19 0.71 0.00 4.82 4.76 -1.26 -4.82 118.16 121.17 2i50 n LYS 41 Ca 0.09 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 2i50 n LYS 41 Cb 0.53 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2i50 n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2i50 n ASP 42 N -3.02 0.00 -1.27 4.39 8.00 -1.26 -4.90 116.55 118.50 2i50 n ASP 42 Ca -0.36 0.74 -0.16 0.00 0.71 0.00 0.00 54.79 55.72 2i50 n ASP 42 Cb 0.95 -0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 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 -1.48 -1.12 0.03 -1.24 5.02 -1.26 -4.88 118.16 113.23 2i50 n LYS 43 Ca 0.00 1.05 -0.19 0.00 -2.02 0.00 0.00 58.31 57.14 2i50 n LYS 43 Cb 0.00 -5.24 -0.11 0.00 -0.02 0.00 0.00 35.03 29.66 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2i50 h ALA 44 N 0.05 0.07 0.00 7.82 0.00 -2.02 -3.16 119.26 122.03 2i50 h ALA 44 Ca -0.33 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2i50 h ALA 44 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2i50 h ALA 44 CO 0.48 0.51 0.00 0.93 0.00 0.00 0.00 179.25 181.17 2i50 h GLU 45 N 0.10 0.00 -2.36 0.00 5.08 -1.99 -3.36 114.58 112.06 2i50 h GLU 45 Ca -0.11 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 2i50 h GLU 45 Cb 1.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.75 2i50 h GLU 45 CO 0.17 0.00 0.31 -1.91 -1.00 0.00 0.00 179.01 176.58 2i50 n GLU 46 N -2.95 1.79 0.04 2.33 2.13 -1.19 -2.05 120.64 120.73 2i50 n GLU 46 Ca 0.04 -0.95 0.00 0.00 0.66 0.00 0.00 57.16 56.91 2i50 n GLU 46 Cb 0.48 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.19 2i50 n GLU 46 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2i50 n GLU 47 N 2.79 0.00 0.00 5.31 0.28 -1.26 -5.00 120.64 122.76 2i50 n GLU 47 Ca 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2i50 n GLU 47 Cb 0.65 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.52 2i50 n GLU 47 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2i50 n THR 48 N -2.70 0.00 1.39 3.84 5.66 -1.17 -4.89 114.28 116.41 2i50 n THR 48 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 2i50 n THR 48 Cb 0.00 0.43 0.39 0.00 -1.55 0.00 0.00 70.33 69.61 2i50 n THR 48 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2i50 n GLU 49 N 0.00 1.56 -3.61 1.09 1.02 -0.87 -4.65 120.64 115.18 2i50 n GLU 49 Ca 0.00 -0.84 -0.15 0.00 -0.02 0.00 0.00 57.16 56.15 2i50 n GLU 49 Cb 0.44 -1.36 -0.07 0.00 -0.02 0.00 0.00 31.44 30.44 2i50 n GLU 49 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2i50 s GLU 50 N -1.82 0.87 -0.49 3.49 -1.05 -1.26 -5.06 118.70 113.37 2i50 s GLU 50 Ca 0.30 0.81 0.04 0.00 -0.15 0.00 0.00 54.97 55.97 2i50 s GLU 50 Cb 0.16 0.42 0.13 0.00 -0.44 0.00 0.00 34.13 34.39 2i50 s GLU 50 CO 0.24 -0.15 0.24 -1.59 0.95 0.00 0.00 175.26 174.95 2i50 s LYS 51 N 0.02 1.84 0.64 -4.83 0.00 -1.26 -4.85 119.74 111.30 2i50 s LYS 51 Ca -0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 55.97 53.44 2i50 s LYS 51 Cb -0.04 -3.17 0.05 0.00 0.00 0.00 0.00 37.83 34.68 2i50 s LYS 51 CO 0.03 -1.10 0.91 -1.25 0.00 0.00 0.00 175.35 173.94 2i50 s PRO 52 N -0.11 2.31 0.26 1.78 0.04 -1.26 -4.93 135.00 133.09 2i50 s PRO 52 Ca 0.17 -0.52 -0.27 0.00 0.04 0.00 0.00 61.00 60.42 2i50 s PRO 52 Cb -0.25 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 2i50 s PRO 52 CO -0.01 -1.03 0.90 -1.54 0.04 0.00 0.00 177.00 175.35 2i50 s SER 53 N -4.49 7.43 -0.35 6.66 1.04 -1.26 -4.91 113.70 117.82 2i50 s SER 53 Ca 0.59 1.81 -0.02 0.00 0.48 0.00 0.00 55.95 58.80 2i50 s SER 53 Cb -0.10 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.53 2i50 s SER 53 CO 0.42 0.07 0.09 -0.69 0.98 0.00 0.00 173.24 174.10 2i50 s VAL 54 N -1.38 3.15 -0.23 5.02 1.01 -1.26 -0.24 120.40 126.47 2i50 s VAL 54 Ca 0.44 -1.64 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 2i50 s VAL 54 Cb -0.22 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2i50 s VAL 54 CO 0.27 -0.35 0.27 0.26 0.00 0.00 0.00 175.10 175.55 2i50 s TRP 55 N 1.21 3.32 -0.27 5.22 0.52 0.14 0.25 118.94 129.33 2i50 s TRP 55 Ca 0.01 0.38 -0.12 0.00 0.02 0.00 0.00 56.10 56.38 2i50 s TRP 55 Cb -0.21 -2.41 -0.05 0.00 -1.15 0.00 0.00 33.47 29.66 2i50 s TRP 55 CO -0.02 -0.01 0.25 -1.17 0.02 0.00 0.00 176.95 176.01 2i50 s LEU 56 N 1.33 4.04 -0.31 2.99 2.96 0.78 -0.66 118.68 129.80 2i50 s LEU 56 Ca 0.12 0.10 -0.28 0.00 -0.22 0.00 0.00 54.13 53.85 2i50 s LEU 56 Cb -0.14 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2i50 s LEU 56 CO 0.07 -0.08 1.83 0.00 -1.32 0.00 0.00 176.35 176.85 2i50 n LEU 58 N 10.35 0.00 0.04 0.00 4.77 0.19 0.59 117.00 132.94 2i50 n LEU 58 Ca 0.23 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 2i50 n LEU 58 Cb 0.46 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 2i50 n LEU 58 CO 0.68 -0.06 -0.56 0.50 -1.33 0.00 0.00 177.39 176.63 2i50 h LYS 59 N 0.00 0.28 0.00 3.23 1.63 -1.01 -2.94 116.57 117.75 2i50 h LYS 59 Ca 0.00 -0.47 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2i50 h LYS 59 Cb 0.11 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2i50 h LYS 59 CO 0.00 1.15 -0.85 0.00 -3.45 0.00 0.00 179.45 176.29 2i50 n GLY 61 N 2.94 1.91 3.75 0.00 0.00 0.20 -3.23 105.19 110.76 2i50 n GLY 61 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.93 -0.20 1.61 5.04 -1.24 -4.71 115.29 117.72 2i50 s HIS 62 Ca 0.00 1.85 -0.05 0.00 -1.54 0.00 0.00 55.06 55.31 2i50 s HIS 62 Cb 0.00 -2.97 -0.03 0.00 0.04 0.00 0.00 32.58 29.62 2i50 s HIS 62 CO 0.00 0.39 0.01 -0.65 -2.34 0.00 0.00 174.74 172.15 2i50 s GLN 63 N -0.84 3.66 0.09 2.88 1.11 -1.26 0.19 119.66 125.49 2i50 s GLN 63 Ca 0.42 -0.50 0.05 0.00 0.01 0.00 0.00 55.36 55.34 2i50 s GLN 63 Cb -0.25 -3.10 -0.03 0.00 -1.01 0.00 0.00 33.01 28.62 2i50 s GLN 63 CO 0.31 0.05 -0.12 0.20 0.01 0.00 0.00 175.29 175.73 2i50 s GLY 64 N 0.92 0.89 -0.07 3.09 0.00 0.17 -0.84 107.32 111.48 2i50 s GLY 64 Ca 0.01 -1.12 -0.14 0.00 0.00 0.00 0.00 44.72 43.48 2i50 s GLY 64 CO 0.02 -1.17 0.36 0.00 0.00 0.00 0.00 173.10 172.31 2i50 n GLY 66 N 2.39 -1.56 0.28 0.00 0.00 0.67 -1.53 105.19 105.44 2i50 n GLY 66 Ca -0.13 -1.43 0.18 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.71 1.61 3.08 -1.91 -2.68 114.38 113.77 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 -3.08 2.55 -4.81 7.04 3.02 -1.26 -4.80 115.26 113.93 2i50 n ASN 68 Ca 0.00 -2.28 -0.26 0.00 -0.03 0.00 0.00 54.58 52.01 2i50 n ASN 68 Cb 0.27 -0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.47 4.48 0.21 6.41 1.04 -1.01 -4.09 113.70 120.28 2i50 s SER 69 Ca 0.21 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.43 2i50 s SER 69 Cb 0.15 -0.03 0.18 0.00 0.10 0.00 0.00 66.02 66.42 2i50 s SER 69 CO 0.08 -0.79 1.54 -0.61 0.98 0.00 0.00 173.24 174.44 2i50 h GLN 70 N 1.17 0.43 0.00 4.02 5.75 -1.87 -3.37 115.11 121.23 2i50 h GLN 70 Ca -0.41 -0.27 -0.35 0.00 -0.15 0.00 0.00 58.65 57.47 2i50 h GLN 70 Cb 1.28 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.80 2i50 h GLN 70 CO 0.66 0.87 -2.31 0.39 -2.65 0.00 0.00 178.83 175.79 2i50 n GLU 71 N -3.93 0.82 -3.49 1.69 -0.58 -1.26 -5.02 120.64 108.87 2i50 n GLU 71 Ca -0.03 0.05 -0.19 0.00 -0.42 0.00 0.00 57.16 56.57 2i50 n GLU 71 Cb 0.60 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 30.07 2i50 n GLU 71 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2i50 n GLN 72 N -2.88 -6.57 0.13 3.49 7.27 -1.25 -4.90 117.38 112.67 2i50 n GLN 72 Ca -0.35 0.82 0.09 0.00 0.07 0.00 0.00 57.00 57.62 2i50 n GLN 72 Cb 1.05 -5.78 0.57 0.00 2.41 0.00 0.00 30.24 28.48 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 -1.99 0.19 -0.78 3.69 3.86 -1.72 -1.55 115.15 116.85 2i50 h HIS 73 Ca -0.59 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.63 2i50 h HIS 73 Cb 1.35 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.72 2i50 h HIS 73 CO 0.45 0.11 0.49 0.00 0.86 0.00 0.00 177.93 179.84 2i50 h ALA 74 N 1.87 1.40 0.06 2.45 0.00 -1.53 0.57 119.26 124.08 2i50 h ALA 74 Ca 0.10 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 2i50 h ALA 74 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2i50 h ALA 74 CO -0.02 0.54 -1.20 -0.07 0.00 0.00 0.00 179.25 178.50 2i50 h LEU 75 N 1.06 0.20 -1.43 0.00 4.07 -1.52 -0.94 115.31 116.75 2i50 h LEU 75 Ca 0.28 -0.23 0.04 0.00 0.08 0.00 0.00 57.88 58.05 2i50 h LEU 75 Cb -0.08 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 2i50 h LEU 75 CO -0.06 1.18 0.43 0.11 -1.08 0.00 0.00 178.44 179.02 2i50 h LYS 76 N 0.03 0.71 -0.03 1.13 1.57 -1.11 0.20 116.57 119.08 2i50 h LYS 76 Ca -0.10 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.51 2i50 h LYS 76 Cb 1.89 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 2i50 h LYS 76 CO 0.16 0.47 -0.56 1.25 -0.57 0.00 0.00 179.45 180.20 2i50 h HIS 77 N 0.74 0.13 -0.22 -1.35 2.76 -0.51 0.20 115.15 116.90 2i50 h HIS 77 Ca 0.26 -0.05 -0.19 0.00 -2.20 0.00 0.00 60.37 58.20 2i50 h HIS 77 Cb 0.12 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2i50 h HIS 77 CO -0.00 0.64 -0.61 -0.92 -1.30 0.00 0.00 177.93 175.74 2i50 h TYR 78 N 0.08 0.95 -0.00 5.26 3.20 -0.08 -3.15 116.97 123.23 2i50 h TYR 78 Ca -0.00 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.51 2i50 h TYR 78 Cb 1.02 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2i50 h TYR 78 CO 0.01 1.16 -0.01 1.28 -1.64 0.00 0.00 178.16 178.96 2i50 n LEU 79 N -3.96 0.09 -4.67 2.82 4.77 0.61 -4.81 117.00 111.85 2i50 n LEU 79 Ca -0.05 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 2i50 n LEU 79 Cb 0.65 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2i50 n LEU 79 CO 0.50 0.02 1.58 0.41 -1.33 0.00 0.00 177.39 178.57 2i50 n THR 80 N -1.05 0.73 -2.41 -5.08 -1.04 0.63 -4.92 114.28 101.14 2i50 n THR 80 Ca 0.20 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 2i50 n THR 80 Cb 0.17 -2.23 -0.02 0.00 -1.82 0.00 0.00 70.33 66.43 2i50 n THR 80 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2i50 s PRO 81 N 4.34 4.08 0.24 -2.82 0.04 -1.26 -4.94 135.00 134.68 2i50 s PRO 81 Ca 0.90 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 63.35 2i50 s PRO 81 Cb -0.49 -3.82 0.03 0.00 0.04 0.00 0.00 34.50 30.26 2i50 s PRO 81 CO 0.44 -0.91 0.44 2.89 0.04 0.00 0.00 177.00 179.90 2i50 n ARG 82 N 6.95 0.63 -0.02 4.56 1.85 -1.26 -5.06 116.66 124.32 2i50 n ARG 82 Ca 0.14 -1.49 -0.07 0.00 -1.00 0.00 0.00 57.85 55.43 2i50 n ARG 82 Cb 0.46 1.72 -0.13 0.00 -1.05 0.00 0.00 32.46 33.45 2i50 n ARG 82 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2i50 n SER 83 N -1.46 0.78 -4.85 2.89 3.41 -1.26 -4.89 113.62 108.23 2i50 n SER 83 Ca -0.04 0.37 -0.32 0.00 -0.26 0.00 0.00 58.87 58.62 2i50 n SER 83 Cb 0.37 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 2i50 n SER 83 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2i50 s GLU 84 N -2.64 3.98 -0.01 4.33 2.02 -1.26 -5.02 118.70 120.10 2i50 s GLU 84 Ca -0.05 0.78 -0.14 0.00 0.02 0.00 0.00 54.97 55.58 2i50 s GLU 84 Cb 0.08 -2.30 -0.34 0.00 0.10 0.00 0.00 34.13 31.68 2i50 s GLU 84 CO 0.82 -0.04 0.85 -1.00 0.02 0.00 0.00 175.26 175.92 2i50 h PRO 85 N 1.58 0.48 -6.35 0.39 0.13 -1.90 -3.49 132.00 122.84 2i50 h PRO 85 Ca -0.48 -0.82 -0.43 0.00 -0.87 0.00 0.00 66.00 63.41 2i50 h PRO 85 Cb 1.18 0.31 0.05 0.00 0.13 0.00 0.00 31.00 32.66 2i50 h PRO 85 CO 0.63 1.39 -0.88 0.72 -0.23 0.00 0.00 178.00 179.63 2i50 n HIS 86 N -3.68 -1.96 -0.26 1.56 8.25 -1.25 -4.89 115.22 112.99 2i50 n HIS 86 Ca -0.20 0.52 0.07 0.00 -0.26 0.00 0.00 57.72 57.84 2i50 n HIS 86 Cb 1.09 -3.28 0.19 0.00 1.12 0.00 0.00 29.99 29.11 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 -1.13 2.52 0.01 0.00 1.43 -1.26 -0.51 118.68 119.74 2i50 s LEU 88 Ca 0.29 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2i50 s LEU 88 Cb 0.16 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2i50 s LEU 88 CO 0.18 0.10 -0.01 0.68 0.23 0.00 0.00 176.35 177.53 2i50 s VAL 89 N 0.72 0.05 0.09 -1.59 -7.23 -0.60 0.55 120.40 112.40 2i50 s VAL 89 Ca -0.07 -0.43 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 2i50 s VAL 89 Cb -0.15 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 2i50 s VAL 89 CO 0.01 -0.23 -0.04 -1.48 -0.31 0.00 0.00 175.10 173.05 2i50 s LEU 90 N -0.68 3.29 -0.04 1.32 0.05 0.54 0.15 118.68 123.31 2i50 s LEU 90 Ca -0.07 -0.26 -0.22 0.00 0.05 0.00 0.00 54.13 53.62 2i50 s LEU 90 Cb -0.05 -2.04 -0.04 0.00 -2.05 0.00 0.00 46.19 42.01 2i50 s LEU 90 CO -0.00 0.18 0.66 -0.94 -0.55 0.00 0.00 176.35 175.69 2i50 s SER 91 N -2.25 6.98 -0.01 1.48 1.04 0.66 -0.15 113.70 121.45 2i50 s SER 91 Ca 0.24 1.17 0.09 0.00 0.48 0.00 0.00 55.95 57.93 2i50 s SER 91 Cb -0.11 -2.39 0.26 0.00 0.10 0.00 0.00 66.02 63.87 2i50 s SER 91 CO 0.16 -0.04 1.20 0.18 0.98 0.00 0.00 173.24 175.72 2i50 n LEU 92 N 3.42 1.67 -0.01 2.42 4.77 0.14 -1.37 117.00 128.03 2i50 n LEU 92 Ca -0.03 -0.84 -0.01 0.00 -0.03 0.00 0.00 56.01 55.10 2i50 n LEU 92 Cb 0.51 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2i50 n LEU 92 CO 0.46 0.39 -0.11 -0.90 -1.33 0.00 0.00 177.39 175.90 2i50 n ASP 93 N 0.35 0.39 -0.52 -1.43 5.75 -1.26 -4.71 116.55 115.12 2i50 n ASP 93 Ca 0.10 0.06 0.13 0.00 -0.01 0.00 0.00 54.79 55.07 2i50 n ASP 93 Cb 0.28 -0.40 0.27 0.00 -1.03 0.00 0.00 41.12 40.24 2i50 n ASP 93 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2i50 n ASN 94 N -2.89 1.80 -3.03 -1.12 3.02 -1.26 -4.93 115.26 106.85 2i50 n ASN 94 Ca -0.02 -1.43 -0.22 0.00 -0.03 0.00 0.00 54.58 52.88 2i50 n ASN 94 Cb 0.08 0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.42 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 0.14 -1.83 -2.76 3.10 7.02 -0.47 -4.98 117.44 117.65 2i50 n TRP 95 Ca 0.14 0.45 -0.22 0.00 -1.02 0.00 0.00 57.50 56.85 2i50 n TRP 95 Cb 0.43 -3.99 0.03 0.00 -2.42 0.00 0.00 31.31 25.36 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 -2.63 5.47 -0.03 -0.99 0.01 -1.25 -4.76 113.70 109.52 2i50 s SER 96 Ca 0.29 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.66 2i50 s SER 96 Cb -0.14 -1.09 -0.03 0.00 0.21 0.00 0.00 66.02 64.97 2i50 s SER 96 CO 0.36 -0.99 -0.06 -0.69 0.41 0.00 0.00 173.24 172.27 2i50 s VAL 97 N -2.69 3.72 -0.03 3.43 1.01 -1.24 -0.24 120.40 124.35 2i50 s VAL 97 Ca 0.54 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2i50 s VAL 97 Cb -0.10 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2i50 s VAL 97 CO 0.38 0.49 -0.15 0.86 0.00 0.00 0.00 175.10 176.69 2i50 s TRP 98 N -0.91 1.46 -0.19 5.22 -0.11 0.12 -0.20 118.94 124.33 2i50 s TRP 98 Ca 0.15 -0.37 0.01 0.00 1.22 0.00 0.00 56.10 57.11 2i50 s TRP 98 Cb -0.11 -0.98 0.03 0.00 -1.50 0.00 0.00 33.47 30.91 2i50 s TRP 98 CO 0.05 -0.11 -0.16 0.00 -4.62 0.00 0.00 176.95 172.10 2i50 h TYR 100 N 7.93 0.03 0.00 0.00 0.05 -1.08 0.43 116.97 124.33 2i50 h TYR 100 Ca -0.37 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.35 2i50 h TYR 100 Cb 1.12 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 2i50 h TYR 100 CO 0.51 0.36 -0.77 -0.24 -1.05 0.00 0.00 178.16 176.96 2i50 h VAL 101 N 0.02 0.22 0.00 -2.88 3.04 -1.95 -2.87 116.25 111.83 2i50 h VAL 101 Ca 0.00 -1.36 -0.19 0.00 -1.01 0.00 0.00 66.70 64.14 2i50 h VAL 101 Cb 0.61 1.85 -0.03 0.00 -2.01 0.00 0.00 31.29 31.71 2i50 h VAL 101 CO 0.04 0.12 -0.90 0.00 -1.01 0.00 0.00 177.57 175.83 2i50 n ASP 103 N -3.32 -4.47 -2.90 0.00 2.03 0.15 -4.95 116.55 103.09 2i50 n ASP 103 Ca 0.00 -0.66 -0.13 0.00 0.52 0.00 0.00 54.79 54.53 2i50 n ASP 103 Cb 0.90 -4.59 -0.01 0.00 -0.72 0.00 0.00 41.12 36.69 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 -2.99 -1.60 -4.76 1.67 2.04 -1.13 -5.02 115.26 103.46 2i50 n ASN 104 Ca -0.08 -2.77 -0.38 0.00 -0.44 0.00 0.00 54.58 50.92 2i50 n ASN 104 Cb 0.59 2.86 -0.06 0.00 -2.53 0.00 0.00 39.78 40.64 2i50 n ASN 104 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 2i50 s GLU 105 N -2.58 4.19 -0.13 -3.83 2.12 -1.26 -1.70 118.70 115.51 2i50 s GLU 105 Ca 0.25 0.35 -0.05 0.00 0.36 0.00 0.00 54.97 55.88 2i50 s GLU 105 Cb -0.02 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2i50 s GLU 105 CO 0.18 0.34 0.05 0.08 -0.54 0.00 0.00 175.26 175.37 2i50 s VAL 106 N 0.05 4.69 -0.67 3.70 1.01 0.72 -4.95 120.40 124.95 2i50 s VAL 106 Ca 0.23 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2i50 s VAL 106 Cb -0.15 -3.04 0.18 0.00 0.00 0.00 0.00 36.38 33.37 2i50 s VAL 106 CO 0.10 0.56 0.54 -1.10 0.00 0.00 0.00 175.10 175.19 2i50 s GLN 107 N -0.46 2.90 0.00 2.72 1.11 -1.26 -3.70 119.66 120.96 2i50 s GLN 107 Ca 0.09 -2.42 0.00 0.00 0.01 0.00 0.00 55.36 53.05 2i50 s GLN 107 Cb -0.12 -3.99 0.00 0.00 -1.01 0.00 0.00 33.01 27.89 2i50 s GLN 107 CO 0.02 -1.22 0.09 2.48 0.01 0.00 0.00 175.29 176.68 2i50 n TYR 108 N 3.82 0.00 0.00 0.91 4.11 -1.26 -4.64 117.16 120.11 2i50 n TYR 108 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2i50 n TYR 108 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 2i50 n TYR 108 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2i50 s SER 110 N -4.00 2.91 0.00 0.00 0.01 -1.26 -4.79 113.70 106.57 2i50 s SER 110 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2i50 s SER 110 Cb 0.00 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2i50 s SER 110 CO 0.00 0.20 0.00 -1.54 0.41 0.00 0.00 173.24 172.31 2i50 n SER 111 N 1.60 0.00 -4.73 2.44 3.41 -1.26 -4.89 113.62 110.18 2i50 n SER 111 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.02 2i50 n SER 111 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2i50 n SER 111 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2i50 s ASN 112 N 0.00 6.58 0.56 4.04 0.01 -1.26 -4.87 114.94 120.00 2i50 s ASN 112 Ca 0.00 2.70 0.27 0.00 -0.71 0.00 0.00 52.86 55.12 2i50 s ASN 112 Cb 0.00 -2.61 1.48 0.00 0.41 0.00 0.00 41.25 40.53 2i50 s ASN 112 CO 0.00 -0.79 1.98 -0.61 -1.51 0.00 0.00 177.10 176.17 2i50 h GLN 113 N 5.71 0.00 -0.52 -0.60 4.15 -1.98 -0.19 115.11 121.69 2i50 h GLN 113 Ca -0.45 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.92 2i50 h GLN 113 Cb 1.21 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 2i50 h GLN 113 CO 0.84 0.00 0.14 1.25 -1.93 0.00 0.00 178.83 179.13 2i50 h LEU 114 N 0.00 0.78 -0.47 -2.39 5.85 -1.96 0.35 115.31 117.47 2i50 h LEU 114 Ca 0.22 -0.22 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 2i50 h LEU 114 Cb 1.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2i50 h LEU 114 CO -0.00 0.80 -0.56 1.23 -0.34 0.00 0.00 178.44 179.57 2i50 h GLY 115 N 0.72 0.66 0.99 3.75 0.00 -1.34 -1.56 103.07 106.29 2i50 h GLY 115 Ca 0.17 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2i50 h GLY 115 CO -0.00 0.70 0.30 1.46 0.00 0.00 0.00 176.54 179.00 2i50 h GLN 116 N 0.46 0.65 -0.15 4.80 1.08 -1.14 0.20 115.11 121.02 2i50 h GLN 116 Ca 0.01 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 2i50 h GLN 116 Cb 1.12 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2i50 h GLN 116 CO 0.11 0.47 -0.37 0.28 -0.95 0.00 0.00 178.83 178.36 2i50 h VAL 117 N 0.65 1.36 -0.02 -0.54 2.07 -0.81 -0.30 116.25 118.66 2i50 h VAL 117 Ca 0.18 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.01 2i50 h VAL 117 Cb -0.03 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2i50 h VAL 117 CO -0.03 0.50 -0.14 0.58 0.02 0.00 0.00 177.57 178.50 2i50 h VAL 118 N 0.13 1.11 -0.49 2.57 2.07 -1.15 0.42 116.25 120.92 2i50 h VAL 118 Ca -0.01 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 2i50 h VAL 118 Cb 0.99 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2i50 h VAL 118 CO 0.08 0.15 -0.09 -0.78 0.02 0.00 0.00 177.57 176.96 2i50 h ASP 119 N 0.03 0.92 -0.13 0.57 3.58 -0.27 0.33 116.42 121.45 2i50 h ASP 119 Ca 0.01 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.10 2i50 h ASP 119 Cb 0.27 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2i50 h ASP 119 CO 0.02 1.05 0.05 0.22 -2.88 0.00 0.00 179.24 177.70 2i50 h TYR 120 N 0.77 0.20 0.00 0.28 3.20 0.39 -0.93 116.97 120.89 2i50 h TYR 120 Ca 0.13 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 2i50 h TYR 120 Cb 0.63 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2i50 h TYR 120 CO 0.05 0.31 -0.33 -0.39 -1.64 0.00 0.00 178.16 176.15 2i50 h VAL 121 N 0.04 0.74 -0.10 1.81 -1.51 -0.02 0.93 116.25 118.14 2i50 h VAL 121 Ca 0.04 -1.46 -0.15 0.00 -1.23 0.00 0.00 66.70 63.90 2i50 h VAL 121 Cb 0.20 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 2i50 h VAL 121 CO -0.00 0.32 -0.58 -0.09 -1.23 0.00 0.00 177.57 175.99 2i50 h ARG 122 N 0.00 0.34 0.00 5.19 2.43 -0.06 0.34 114.38 122.61 2i50 h ARG 122 Ca -0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2i50 h ARG 122 Cb 0.91 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2i50 h ARG 122 CO 0.04 0.82 0.00 0.87 -1.51 0.00 0.00 179.97 180.20 2i50 h LYS 123 N 0.25 0.00 0.01 0.20 1.57 0.26 0.17 116.57 119.03 2i50 h LYS 123 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2i50 h LYS 123 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2i50 h LYS 123 CO 0.10 0.00 -0.00 1.96 -0.57 0.00 0.00 179.45 180.93 2i50 h GLN 124 N 0.00 -0.01 -0.47 3.15 1.08 0.01 -3.36 115.11 115.51 2i50 h GLN 124 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2i50 h GLN 124 Cb 0.65 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 2i50 h GLN 124 CO 0.00 0.82 0.03 0.00 -0.95 0.00 0.00 178.83 178.73 2i50 h ALA 125 N 0.04 0.63 0.00 3.87 0.00 -0.22 -3.51 119.26 120.07 2i50 h ALA 125 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2i50 h ALA 125 Cb 0.83 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2i50 h ALA 125 CO 0.00 0.40 0.00 0.43 0.00 0.00 0.00 179.25 180.08