#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 0.00 -0.15 0.52 0.11 -1.26 -5.13 120.40 114.49 2i50 s VAL 6 Ca 0.00 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 58.81 2i50 s VAL 6 Cb 0.00 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 2i50 s VAL 6 CO 0.00 0.00 0.43 0.00 -3.33 0.00 0.00 175.10 172.20 2i50 n ARG 8 N 3.95 2.86 -0.05 0.00 5.12 -1.26 -4.43 116.66 122.85 2i50 n ARG 8 Ca -0.08 -2.16 0.12 0.00 -1.93 0.00 0.00 57.85 53.80 2i50 n ARG 8 Cb 0.51 -1.33 0.41 0.00 -1.16 0.00 0.00 32.46 30.89 2i50 n ARG 8 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2i50 n HIS 9 N 0.68 0.13 -0.29 -1.55 8.25 -1.26 -3.74 115.22 117.43 2i50 n HIS 9 Ca 0.14 -0.06 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 2i50 n HIS 9 Cb 0.47 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.85 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 2.63 1.02 -0.60 1.59 2.04 -1.92 0.38 117.51 122.65 2i50 h ILE 10 Ca 0.00 -0.33 0.12 0.00 1.00 0.00 0.00 64.86 65.65 2i50 h ILE 10 Cb 0.57 -0.01 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 2i50 h ILE 10 CO 0.00 0.17 0.10 0.03 0.00 0.00 0.00 178.15 178.45 2i50 h ARG 11 N 0.95 0.21 -0.25 2.37 3.08 -1.87 0.17 114.38 119.05 2i50 h ARG 11 Ca 0.40 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2i50 h ARG 11 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2i50 h ARG 11 CO -0.16 0.14 0.00 1.63 -1.07 0.00 0.00 179.97 180.51 2i50 n LYS 12 N -5.17 2.03 0.00 0.04 5.02 -0.52 -4.38 118.16 115.17 2i50 n LYS 12 Ca 0.09 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 2i50 n LYS 12 Cb 0.33 -1.38 -0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2i50 n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2i50 n GLY 13 N 1.05 0.21 2.82 0.72 0.00 0.12 -4.26 105.19 105.86 2i50 n GLY 13 Ca 0.14 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2i50 n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2i50 s LEU 14 N -1.44 0.84 -0.46 0.99 0.20 0.01 -1.55 118.68 117.27 2i50 s LEU 14 Ca 0.01 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.66 2i50 s LEU 14 Cb 0.01 -0.61 0.13 0.00 -0.43 0.00 0.00 46.19 45.30 2i50 s LEU 14 CO 0.03 -0.17 0.25 -0.70 -0.29 0.00 0.00 176.35 175.47 2i50 s GLU 15 N 1.86 1.47 0.37 1.98 -6.30 -1.12 -4.79 118.70 112.18 2i50 s GLU 15 Ca 0.05 -2.18 0.10 0.00 -2.50 0.00 0.00 54.97 50.44 2i50 s GLU 15 Cb -0.12 -2.60 0.86 0.00 0.00 0.00 0.00 34.13 32.27 2i50 s GLU 15 CO -0.06 -1.15 1.89 1.96 0.02 0.00 0.00 175.26 177.92 2i50 h GLN 16 N 6.66 0.62 0.19 4.30 7.50 -1.86 -2.51 115.11 130.01 2i50 h GLN 16 Ca -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.08 2i50 h GLN 16 Cb 0.92 -0.14 -0.00 0.00 0.05 0.00 0.00 27.48 28.31 2i50 h GLN 16 CO 0.54 0.41 -0.10 0.78 -1.50 0.00 0.00 178.83 178.95 2i50 h GLY 17 N 0.64 -0.28 2.00 3.46 0.00 -1.94 -2.62 103.07 104.32 2i50 h GLY 17 Ca 0.42 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2i50 h GLY 17 CO -0.17 -0.11 0.00 3.45 0.00 0.00 0.00 176.54 179.71 2i50 h ASN 18 N -0.28 0.00 0.15 0.19 -0.00 -1.82 -3.27 115.58 110.55 2i50 h ASN 18 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 56.30 56.29 2i50 h ASN 18 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.51 2i50 h ASN 18 CO 0.03 0.00 -0.24 -0.07 -0.00 0.00 0.00 177.43 177.14 2i50 h LEU 19 N 0.00 -0.68 -1.13 6.14 -0.00 -1.08 -1.09 115.31 117.48 2i50 h LEU 19 Ca 0.00 0.08 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 2i50 h LEU 19 Cb 0.88 0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 41.73 2i50 h LEU 19 CO 0.00 -0.34 0.60 0.11 -0.00 0.00 0.00 178.44 178.81 2i50 h LYS 20 N -0.46 0.90 -0.14 1.13 6.56 -1.58 -0.82 116.57 122.16 2i50 h LYS 20 Ca 0.02 -0.05 -0.18 0.00 -1.06 0.00 0.00 60.65 59.38 2i50 h LYS 20 Cb 0.47 -0.20 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2i50 h LYS 20 CO -0.12 0.59 -0.65 0.87 -2.06 0.00 0.00 179.45 178.08 2i50 h LYS 21 N 0.92 0.53 0.11 3.15 1.79 -1.51 -2.83 116.57 118.74 2i50 h LYS 21 Ca 0.45 -0.39 -0.28 0.00 -2.18 0.00 0.00 60.65 58.26 2i50 h LYS 21 Cb 0.46 0.07 0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2i50 h LYS 21 CO -0.21 1.01 -1.20 0.00 -1.08 0.00 0.00 179.45 177.97 2i50 h ALA 22 N 0.89 0.10 0.00 3.86 0.00 -0.25 -3.17 119.26 120.70 2i50 h ALA 22 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2i50 h ALA 22 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2i50 h ALA 22 CO 0.12 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.47 2i50 n LEU 23 N -3.68 0.01 -0.02 0.00 4.77 -0.41 -1.64 117.00 116.04 2i50 n LEU 23 Ca -0.10 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 2i50 n LEU 23 Cb 0.98 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2i50 n LEU 23 CO 0.55 -0.15 0.67 0.58 -1.33 0.00 0.00 177.39 177.71 2i50 h VAL 24 N 0.00 1.32 -0.57 4.08 2.07 -1.47 -3.31 116.25 118.37 2i50 h VAL 24 Ca 0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 2i50 h VAL 24 Cb 0.35 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 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 -4.83 3.74 -4.84 0.57 3.02 -0.85 -4.95 115.26 107.12 2i50 n ASN 25 Ca -0.08 -2.00 -0.31 0.00 -0.03 0.00 0.00 54.58 52.17 2i50 n ASN 25 Cb 0.23 -0.38 0.05 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.23 3.97 -0.38 2.41 0.11 -0.65 -5.02 120.40 119.61 2i50 s VAL 26 Ca 0.44 0.64 -0.00 0.00 -2.93 0.00 0.00 61.98 60.13 2i50 s VAL 26 Cb 0.24 -3.48 0.11 0.00 -1.53 0.00 0.00 36.38 31.71 2i50 s VAL 26 CO 0.33 -0.84 0.15 -0.70 -3.33 0.00 0.00 175.10 170.70 2i50 s GLU 27 N -5.14 1.82 0.15 1.54 2.56 -1.26 -5.03 118.70 113.34 2i50 s GLU 27 Ca 0.58 -1.83 -0.31 0.00 0.00 0.00 0.00 54.97 53.40 2i50 s GLU 27 Cb -0.13 -3.44 -0.10 0.00 2.00 0.00 0.00 34.13 32.46 2i50 s GLU 27 CO 0.54 -1.02 1.57 -1.58 -0.56 0.00 0.00 175.26 174.21 2i50 s TRP 28 N 1.06 3.00 -1.04 5.30 0.52 -1.26 -2.03 118.94 124.49 2i50 s TRP 28 Ca 0.09 0.61 0.00 0.00 0.02 0.00 0.00 56.10 56.82 2i50 s TRP 28 Cb -0.21 -3.92 0.00 0.00 -1.15 0.00 0.00 33.47 28.19 2i50 s TRP 28 CO -0.06 -3.42 0.00 -1.71 0.02 0.00 0.00 176.95 171.78 2i50 n ASN 29 N 4.14 -4.32 -3.89 2.95 4.05 -1.26 -4.95 115.26 111.97 2i50 n ASN 29 Ca 0.14 0.24 -0.29 0.00 0.45 0.00 0.00 54.58 55.12 2i50 n ASN 29 Cb 0.39 -2.68 -0.16 0.00 1.23 0.00 0.00 39.78 38.55 2i50 n ASN 29 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2i50 s ILE 30 N -2.32 1.21 -0.38 -1.44 1.01 -0.86 -4.93 121.20 113.49 2i50 s ILE 30 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 2i50 s ILE 30 Cb 0.00 -1.48 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 2i50 s ILE 30 CO 0.00 -0.02 2.32 0.00 0.00 0.00 0.00 174.94 177.24 2i50 h GLN 32 N 16.09 0.67 0.00 0.00 4.20 -1.62 0.15 115.11 134.61 2i50 h GLN 32 Ca -0.30 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2i50 h GLN 32 Cb 1.27 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2i50 h GLN 32 CO 1.07 0.45 0.00 0.22 -0.67 0.00 0.00 178.83 179.89 2i50 h ASP 33 N 0.69 0.00 0.57 1.46 3.58 -1.85 0.35 116.42 121.23 2i50 h ASP 33 Ca 0.23 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.40 2i50 h ASP 33 Cb 0.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2i50 h ASP 33 CO -0.06 0.00 -1.47 0.00 -2.88 0.00 0.00 179.24 174.83 2i50 h LYS 35 N 0.04 0.61 -0.46 0.00 3.64 -0.74 -2.74 116.57 116.91 2i50 h LYS 35 Ca -0.21 -0.52 -0.10 0.00 -1.27 0.00 0.00 60.65 58.56 2i50 h LYS 35 Cb 1.96 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.84 2i50 h LYS 35 CO 0.14 1.14 0.08 0.25 -2.27 0.00 0.00 179.45 178.78 2i50 n THR 36 N -4.12 2.59 -2.27 1.00 -2.24 -0.05 -4.89 114.28 104.30 2i50 n THR 36 Ca -0.08 -1.90 -0.38 0.00 -2.27 0.00 0.00 64.05 59.42 2i50 n THR 36 Cb 0.67 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.64 5.70 0.00 3.42 -1.08 -1.04 -4.67 116.67 117.37 2i50 s ASP 37 Ca 0.48 -0.33 0.22 0.00 -0.52 0.00 0.00 52.55 52.41 2i50 s ASP 37 Cb 0.39 -2.55 0.31 0.00 -1.46 0.00 0.00 42.92 39.62 2i50 s ASP 37 CO 0.10 -2.15 1.31 -3.20 0.52 0.00 0.00 175.17 171.74 2i50 n ASN 38 N 11.36 3.18 -0.02 -0.34 4.05 -1.26 -4.49 115.26 127.74 2i50 n ASN 38 Ca 0.20 -1.96 -0.17 0.00 0.45 0.00 0.00 54.58 53.11 2i50 n ASN 38 Cb 0.50 -0.14 -0.14 0.00 1.23 0.00 0.00 39.78 41.23 2i50 n ASN 38 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 2i50 h LYS 39 N 4.32 0.13 -7.33 1.20 1.57 -1.96 -3.46 116.57 111.05 2i50 h LYS 39 Ca 0.00 -0.23 -0.50 0.00 -1.87 0.00 0.00 60.65 58.05 2i50 h LYS 39 Cb 0.95 0.09 0.14 0.00 0.08 0.00 0.00 32.23 33.48 2i50 h LYS 39 CO 0.00 1.11 0.28 0.14 -0.57 0.00 0.00 179.45 180.41 2i50 s VAL 40 N -2.32 2.96 -0.09 0.50 -7.23 -1.26 -4.99 120.40 107.97 2i50 s VAL 40 Ca -0.17 0.31 -0.21 0.00 -1.81 0.00 0.00 61.98 60.10 2i50 s VAL 40 Cb -0.01 -2.79 -0.18 0.00 0.56 0.00 0.00 36.38 33.95 2i50 s VAL 40 CO 0.75 -0.41 0.73 0.11 -0.31 0.00 0.00 175.10 175.98 2i50 h LYS 41 N -1.36 -0.07 -5.97 4.82 1.57 -1.94 -3.45 116.57 110.17 2i50 h LYS 41 Ca -0.47 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.65 2i50 h LYS 41 Cb 1.26 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 2i50 h LYS 41 CO 0.53 0.53 -0.59 -0.51 -0.57 0.00 0.00 179.45 178.84 2i50 s ASP 42 N -5.81 5.56 -0.00 0.86 1.01 -1.26 -4.93 116.67 112.10 2i50 s ASP 42 Ca -0.14 0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.30 2i50 s ASP 42 Cb -0.01 -1.60 0.01 0.00 1.01 0.00 0.00 42.92 42.33 2i50 s ASP 42 CO 0.51 0.32 0.71 0.29 0.21 0.00 0.00 175.17 177.21 2i50 n LYS 43 N 1.58 0.21 0.24 8.23 4.76 -1.26 -4.76 118.16 127.15 2i50 n LYS 43 Ca -0.16 -0.78 0.11 0.00 -2.87 0.00 0.00 58.31 54.61 2i50 n LYS 43 Cb 0.53 -0.56 0.59 0.00 -1.84 0.00 0.00 35.03 33.76 2i50 n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i50 h ALA 44 N 0.00 1.13 -4.69 7.82 0.00 -2.01 -3.47 119.26 118.04 2i50 h ALA 44 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2i50 h ALA 44 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2i50 h ALA 44 CO 0.00 0.22 -0.33 0.39 0.00 0.00 0.00 179.25 179.53 2i50 n GLU 45 N -3.49 -1.67 0.03 0.00 1.02 -1.26 -4.88 120.64 110.39 2i50 n GLU 45 Ca -0.01 1.65 0.14 0.00 -0.02 0.00 0.00 57.16 58.92 2i50 n GLU 45 Cb 0.34 -4.59 0.61 0.00 -0.02 0.00 0.00 31.44 27.77 2i50 n GLU 45 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2i50 h GLU 46 N 1.35 0.14 -3.09 3.49 4.81 -1.97 -2.68 114.58 116.63 2i50 h GLU 46 Ca 0.00 -0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.60 2i50 h GLU 46 Cb 0.77 -0.03 -0.42 0.00 0.63 0.00 0.00 28.75 29.70 2i50 h GLU 46 CO 0.16 0.09 -0.55 -2.00 -0.73 0.00 0.00 179.01 175.98 2i50 s GLU 47 N -5.16 2.50 0.42 1.92 2.12 -1.26 -4.87 118.70 114.37 2i50 s GLU 47 Ca -0.06 -3.36 0.30 0.00 0.36 0.00 0.00 54.97 52.21 2i50 s GLU 47 Cb 0.19 -3.45 1.39 0.00 0.26 0.00 0.00 34.13 32.53 2i50 s GLU 47 CO 0.72 -1.29 1.89 0.00 -0.54 0.00 0.00 175.26 176.05 2i50 h THR 48 N 4.37 0.00 -0.90 -1.70 1.03 -1.82 -2.59 112.91 111.31 2i50 h THR 48 Ca 0.15 -0.21 -0.52 0.00 -0.01 0.00 0.00 66.41 65.83 2i50 h THR 48 Cb 0.75 0.99 -0.27 0.00 -1.07 0.00 0.00 68.15 68.56 2i50 h THR 48 CO 0.72 0.00 0.66 -0.62 -0.01 0.00 0.00 175.52 176.27 2i50 n GLU 49 N -2.61 2.26 -2.72 0.00 1.02 -1.26 -4.88 120.64 112.44 2i50 n GLU 49 Ca -0.00 -2.79 -0.43 0.00 -0.02 0.00 0.00 57.16 53.92 2i50 n GLU 49 Cb 0.17 -2.09 -0.03 0.00 -0.02 0.00 0.00 31.44 29.47 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 -3.13 4.15 -0.63 3.49 -1.05 -0.98 -4.97 118.70 115.58 2i50 s GLU 50 Ca 0.54 1.10 0.05 0.00 -0.15 0.00 0.00 54.97 56.51 2i50 s GLU 50 Cb 0.44 -3.68 0.16 0.00 -0.44 0.00 0.00 34.13 30.60 2i50 s GLU 50 CO 0.06 -0.71 0.41 -1.59 0.95 0.00 0.00 175.26 174.39 2i50 s LYS 51 N 3.27 2.23 0.79 -4.83 0.00 -1.26 -5.08 119.74 114.85 2i50 s LYS 51 Ca 0.42 -3.05 -0.11 0.00 0.00 0.00 0.00 55.97 53.23 2i50 s LYS 51 Cb -0.14 -3.28 0.09 0.00 0.00 0.00 0.00 37.83 34.49 2i50 s LYS 51 CO 0.10 -1.24 1.14 -1.25 0.00 0.00 0.00 175.35 174.11 2i50 s PRO 52 N -1.01 1.90 0.14 1.78 0.04 -1.26 -5.02 135.00 131.57 2i50 s PRO 52 Ca 0.23 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 60.90 2i50 s PRO 52 Cb -0.11 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2i50 s PRO 52 CO -0.11 -1.57 1.05 -1.54 0.04 0.00 0.00 177.00 174.87 2i50 s SER 53 N -4.59 7.34 -0.32 6.66 1.04 -1.26 -4.93 113.70 117.64 2i50 s SER 53 Ca 0.63 1.97 -0.07 0.00 0.48 0.00 0.00 55.95 58.96 2i50 s SER 53 Cb -0.10 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2i50 s SER 53 CO 0.48 -0.18 0.09 -0.69 0.98 0.00 0.00 173.24 173.92 2i50 s VAL 54 N -0.03 3.89 -0.20 5.02 1.01 -1.26 -0.20 120.40 128.62 2i50 s VAL 54 Ca 0.49 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2i50 s VAL 54 Cb -0.27 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2i50 s VAL 54 CO 0.32 -0.04 0.03 0.26 0.00 0.00 0.00 175.10 175.67 2i50 s TRP 55 N 1.46 3.09 -0.24 5.22 0.52 0.12 -0.52 118.94 128.59 2i50 s TRP 55 Ca 0.01 -0.31 -0.10 0.00 0.02 0.00 0.00 56.10 55.71 2i50 s TRP 55 Cb -0.18 -2.10 -0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2i50 s TRP 55 CO 0.03 -0.15 0.16 -1.17 0.02 0.00 0.00 176.95 175.83 2i50 s LEU 56 N 0.92 4.09 -0.11 2.99 2.96 0.56 -0.97 118.68 129.12 2i50 s LEU 56 Ca 0.02 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2i50 s LEU 56 Cb -0.14 -2.10 -0.07 0.00 0.50 0.00 0.00 46.19 44.38 2i50 s LEU 56 CO 0.02 0.06 2.08 0.00 -1.32 0.00 0.00 176.35 177.20 2i50 n LEU 58 N 9.80 0.00 -0.01 0.00 4.77 0.16 0.20 117.00 131.91 2i50 n LEU 58 Ca 0.25 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 56.37 2i50 n LEU 58 Cb 0.43 -0.36 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 2i50 n LEU 58 CO 0.67 -0.11 -0.61 0.50 -1.33 0.00 0.00 177.39 176.51 2i50 h LYS 59 N 0.00 0.21 0.00 3.23 1.63 -1.40 -2.96 116.57 117.28 2i50 h LYS 59 Ca 0.00 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 2i50 h LYS 59 Cb 0.25 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 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 0.34 0.55 3.67 0.00 0.00 0.13 -4.54 105.19 105.34 2i50 n GLY 61 Ca 0.00 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.25 1.61 5.04 -1.26 -4.74 115.29 116.76 2i50 s HIS 62 Ca 0.00 1.15 -0.09 0.00 -1.54 0.00 0.00 55.06 54.59 2i50 s HIS 62 Cb 0.00 -3.44 -0.04 0.00 0.04 0.00 0.00 32.58 29.14 2i50 s HIS 62 CO 0.00 -1.38 0.11 -1.14 -2.34 0.00 0.00 174.74 169.98 2i50 s GLN 63 N 2.85 3.80 0.12 2.88 0.74 -1.26 -0.27 119.66 128.53 2i50 s GLN 63 Ca 0.54 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.56 2i50 s GLN 63 Cb -0.22 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 2i50 s GLN 63 CO 0.17 -0.11 -0.02 0.20 -0.55 0.00 0.00 175.29 174.98 2i50 s GLY 64 N 1.47 0.93 -0.06 2.59 0.00 -0.14 -1.70 107.32 110.40 2i50 s GLY 64 Ca 0.06 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.21 2i50 s GLY 64 CO 0.05 -1.45 0.33 0.00 0.00 0.00 0.00 173.10 172.04 2i50 n GLY 66 N 2.20 1.30 0.37 0.00 0.00 0.72 -0.80 105.19 108.98 2i50 n GLY 66 Ca -0.15 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.44 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 0.61 -0.93 1.61 2.43 -1.92 -2.58 114.38 113.59 2i50 h ARG 67 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2i50 h ARG 67 Cb 0.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2i50 h ARG 67 CO 0.00 0.40 0.02 0.09 -1.51 0.00 0.00 179.97 178.97 2i50 n ASN 68 N -4.68 2.10 -4.68 -3.80 3.02 -1.26 -4.78 115.26 101.18 2i50 n ASN 68 Ca 0.23 -2.20 -0.27 0.00 -0.03 0.00 0.00 54.58 52.31 2i50 n ASN 68 Cb 0.65 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.03 4.10 0.10 6.41 1.04 -0.97 -4.33 113.70 120.02 2i50 s SER 69 Ca 0.10 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2i50 s SER 69 Cb 0.08 -0.32 -0.23 0.00 0.10 0.00 0.00 66.02 65.66 2i50 s SER 69 CO 0.03 -0.53 1.21 0.06 0.98 0.00 0.00 173.24 174.99 2i50 h GLN 70 N 1.59 0.17 0.02 4.02 3.07 -1.87 -3.36 115.11 118.76 2i50 h GLN 70 Ca -0.43 -0.28 -0.35 0.00 0.09 0.00 0.00 58.65 57.67 2i50 h GLN 70 Cb 1.25 0.10 -0.05 0.00 0.08 0.00 0.00 27.48 28.86 2i50 h GLN 70 CO 0.76 1.12 -2.12 0.39 0.09 0.00 0.00 178.83 179.07 2i50 n GLU 71 N -3.49 0.68 -3.36 0.06 -0.58 -1.26 -5.01 120.64 107.69 2i50 n GLU 71 Ca -0.05 0.17 -0.16 0.00 -0.42 0.00 0.00 57.16 56.70 2i50 n GLU 71 Cb 0.97 -1.64 0.08 0.00 -0.57 0.00 0.00 31.44 30.28 2i50 n GLU 71 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2i50 n GLN 72 N -3.08 -5.31 0.07 3.49 6.02 -1.26 -4.75 117.38 112.56 2i50 n GLN 72 Ca -0.30 0.84 0.10 0.00 -0.01 0.00 0.00 57.00 57.63 2i50 n GLN 72 Cb 1.07 -5.80 0.57 0.00 1.02 0.00 0.00 30.24 27.10 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 -1.64 0.21 -0.22 1.08 3.86 -1.61 0.74 115.15 117.57 2i50 h HIS 73 Ca -0.59 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 58.53 2i50 h HIS 73 Cb 1.33 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 2i50 h HIS 73 CO 0.39 0.12 -0.29 0.00 0.86 0.00 0.00 177.93 179.01 2i50 h ALA 74 N 1.82 1.08 0.20 2.45 0.00 -1.22 0.11 119.26 123.71 2i50 h ALA 74 Ca 0.15 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 2i50 h ALA 74 Cb 0.31 -0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.02 2i50 h ALA 74 CO -0.03 0.57 -1.38 -0.07 0.00 0.00 0.00 179.25 178.34 2i50 h LEU 75 N 0.39 0.87 -1.55 0.00 4.07 -1.15 -0.89 115.31 117.05 2i50 h LEU 75 Ca 0.05 -0.88 0.08 0.00 0.08 0.00 0.00 57.88 57.21 2i50 h LEU 75 Cb 0.71 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.13 2i50 h LEU 75 CO 0.05 1.68 0.41 0.11 -1.08 0.00 0.00 178.44 179.61 2i50 h LYS 76 N 0.21 0.51 -0.17 1.13 1.57 -0.90 0.53 116.57 119.44 2i50 h LYS 76 Ca -0.23 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 2i50 h LYS 76 Cb 2.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.25 2i50 h LYS 76 CO 0.26 0.34 -0.40 1.25 -0.57 0.00 0.00 179.45 180.33 2i50 h HIS 77 N 0.53 0.47 -0.24 -1.35 2.76 -0.50 0.18 115.15 117.00 2i50 h HIS 77 Ca 0.28 -0.13 -0.12 0.00 -2.20 0.00 0.00 60.37 58.20 2i50 h HIS 77 Cb 0.41 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2i50 h HIS 77 CO -0.00 0.74 -0.35 -0.92 -1.30 0.00 0.00 177.93 176.10 2i50 h TYR 78 N 0.33 0.60 -0.02 5.26 3.20 0.27 -2.62 116.97 123.98 2i50 h TYR 78 Ca 0.03 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2i50 h TYR 78 Cb 0.85 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.99 2i50 h TYR 78 CO 0.02 0.80 0.00 1.28 -1.64 0.00 0.00 178.16 178.63 2i50 n LEU 79 N -4.06 0.46 -4.60 2.82 4.77 0.04 -4.68 117.00 111.76 2i50 n LEU 79 Ca -0.01 -0.17 -0.43 0.00 -0.03 0.00 0.00 56.01 55.37 2i50 n LEU 79 Cb 0.48 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2i50 n LEU 79 CO 0.44 0.08 1.13 -0.89 -1.33 0.00 0.00 177.39 176.82 2i50 s THR 80 N -1.98 4.05 -0.14 -5.08 2.01 0.52 -4.91 115.64 110.11 2i50 s THR 80 Ca 0.39 1.06 -0.03 0.00 0.31 0.00 0.00 61.69 63.41 2i50 s THR 80 Cb 0.19 -4.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2i50 s THR 80 CO 0.31 -0.94 2.75 -0.81 -0.69 0.00 0.00 174.62 175.23 2i50 n PRO 81 N 8.02 1.78 -2.80 4.92 -0.04 -1.26 -4.86 135.00 140.75 2i50 n PRO 81 Ca 0.14 -1.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.07 2i50 n PRO 81 Cb 0.49 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 2i50 n PRO 81 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2i50 s ARG 82 N -0.29 3.37 0.15 0.54 1.04 -1.26 -4.86 118.95 117.64 2i50 s ARG 82 Ca 0.41 -1.16 0.00 0.00 -1.04 0.00 0.00 55.73 53.94 2i50 s ARG 82 Cb 0.23 -4.66 0.00 0.00 -2.04 0.00 0.00 34.95 28.48 2i50 s ARG 82 CO -0.04 -1.90 0.00 0.43 -0.04 0.00 0.00 175.30 173.75 2i50 n SER 83 N 7.64 0.00 -4.86 -2.89 7.64 -1.26 -4.50 113.62 115.38 2i50 n SER 83 Ca 0.13 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.70 2i50 n SER 83 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.00 3.88 0.22 1.43 0.41 -1.26 -5.01 118.70 118.37 2i50 s GLU 84 Ca 0.00 0.51 0.11 0.00 -0.41 0.00 0.00 54.97 55.18 2i50 s GLU 84 Cb 0.00 -2.46 0.08 0.00 -1.78 0.00 0.00 34.13 29.97 2i50 s GLU 84 CO 0.00 0.12 1.44 -1.00 -0.49 0.00 0.00 175.26 175.33 2i50 h PRO 85 N 1.93 0.00 -5.93 0.39 0.13 -1.81 -3.47 132.00 123.24 2i50 h PRO 85 Ca -0.47 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.27 2i50 h PRO 85 Cb 1.18 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.41 2i50 h PRO 85 CO 0.65 0.72 -0.79 0.72 -0.23 0.00 0.00 178.00 179.07 2i50 n HIS 86 N -3.41 -2.10 0.14 1.56 8.25 -1.26 -4.69 115.22 113.70 2i50 n HIS 86 Ca 0.00 0.89 0.07 0.00 -0.26 0.00 0.00 57.72 58.42 2i50 n HIS 86 Cb 0.77 -4.67 0.24 0.00 1.12 0.00 0.00 29.99 27.46 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 -1.33 2.20 0.02 0.00 1.43 -1.26 -1.38 118.68 118.36 2i50 s LEU 88 Ca 0.35 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2i50 s LEU 88 Cb 0.22 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 2i50 s LEU 88 CO 0.18 0.07 -0.05 0.68 0.23 0.00 0.00 176.35 177.46 2i50 s VAL 89 N 0.87 0.36 0.18 -1.59 -7.23 -0.68 0.36 120.40 112.68 2i50 s VAL 89 Ca -0.05 -0.74 0.08 0.00 -1.81 0.00 0.00 61.98 59.45 2i50 s VAL 89 Cb -0.15 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 2i50 s VAL 89 CO -0.03 -0.26 -0.00 -1.48 -0.31 0.00 0.00 175.10 173.02 2i50 s LEU 90 N -1.07 3.29 -0.04 1.32 0.05 0.58 0.07 118.68 122.88 2i50 s LEU 90 Ca -0.08 -0.43 -0.14 0.00 0.05 0.00 0.00 54.13 53.53 2i50 s LEU 90 Cb -0.07 -1.93 -0.05 0.00 -2.05 0.00 0.00 46.19 42.09 2i50 s LEU 90 CO -0.00 0.08 0.38 -0.94 -0.55 0.00 0.00 176.35 175.33 2i50 s SER 91 N -3.00 6.73 -0.05 1.48 1.04 0.98 -0.32 113.70 120.55 2i50 s SER 91 Ca 0.28 0.86 0.12 0.00 0.48 0.00 0.00 55.95 57.69 2i50 s SER 91 Cb -0.09 -2.23 0.44 0.00 0.10 0.00 0.00 66.02 64.24 2i50 s SER 91 CO 0.18 0.27 1.32 0.18 0.98 0.00 0.00 173.24 176.17 2i50 n LEU 92 N 2.23 2.96 -0.11 2.42 4.77 0.32 -1.86 117.00 127.74 2i50 n LEU 92 Ca -0.13 -1.49 -0.17 0.00 -0.03 0.00 0.00 56.01 54.19 2i50 n LEU 92 Cb 0.52 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2i50 n LEU 92 CO 0.38 0.57 -0.96 0.47 -1.33 0.00 0.00 177.39 176.52 2i50 n ASP 93 N 0.70 1.93 0.00 -1.43 9.92 -1.26 -4.73 116.55 121.67 2i50 n ASP 93 Ca 0.16 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.75 2i50 n ASP 93 Cb 0.54 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 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 -4.36 0.84 -3.14 -2.24 5.15 -1.26 -5.02 115.26 105.22 2i50 n ASN 94 Ca -0.29 -1.15 -0.11 0.00 -0.60 0.00 0.00 54.58 52.43 2i50 n ASN 94 Cb 0.65 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.95 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 -0.08 -2.51 -4.16 1.20 7.02 -0.78 -5.02 117.44 113.12 2i50 n TRP 95 Ca 0.00 0.90 -0.26 0.00 -1.02 0.00 0.00 57.50 57.12 2i50 n TRP 95 Cb 0.13 -4.06 -0.06 0.00 -2.42 0.00 0.00 31.31 24.90 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 -3.27 4.42 -0.04 -0.99 0.01 -1.25 -4.85 113.70 107.73 2i50 s SER 96 Ca 0.33 -1.16 0.05 0.00 1.31 0.00 0.00 55.95 56.49 2i50 s SER 96 Cb -0.04 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 2i50 s SER 96 CO 0.72 -0.65 -0.20 -0.69 0.41 0.00 0.00 173.24 172.83 2i50 s VAL 97 N -2.65 2.58 -0.06 3.43 1.01 -1.25 -0.01 120.40 123.44 2i50 s VAL 97 Ca 0.37 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2i50 s VAL 97 Cb 0.03 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 2i50 s VAL 97 CO 0.21 0.58 -0.21 0.86 0.00 0.00 0.00 175.10 176.54 2i50 s TRP 98 N -0.60 2.15 -0.28 5.22 -0.11 0.11 -0.17 118.94 125.26 2i50 s TRP 98 Ca 0.09 -0.71 -0.03 0.00 1.22 0.00 0.00 56.10 56.68 2i50 s TRP 98 Cb -0.11 -1.44 0.03 0.00 -1.50 0.00 0.00 33.47 30.46 2i50 s TRP 98 CO 0.00 -0.25 -0.01 0.00 -4.62 0.00 0.00 176.95 172.07 2i50 h TYR 100 N 8.04 1.14 0.00 0.00 0.05 -1.51 0.27 116.97 124.96 2i50 h TYR 100 Ca -0.28 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2i50 h TYR 100 Cb 1.09 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.50 2i50 h TYR 100 CO 0.60 0.91 -0.07 -0.24 -1.05 0.00 0.00 178.16 178.30 2i50 h VAL 101 N 1.05 0.00 0.04 -2.88 3.04 -1.94 -2.58 116.25 112.97 2i50 h VAL 101 Ca 0.23 -0.95 -0.31 0.00 -1.01 0.00 0.00 66.70 64.66 2i50 h VAL 101 Cb 0.32 1.91 -0.04 0.00 -2.01 0.00 0.00 31.29 31.47 2i50 h VAL 101 CO -0.01 0.00 -1.72 0.00 -1.01 0.00 0.00 177.57 174.83 2i50 n ASP 103 N -3.20 -3.50 -3.12 0.00 2.03 0.92 -5.05 116.55 104.63 2i50 n ASP 103 Ca -0.19 -0.46 -0.11 0.00 0.52 0.00 0.00 54.79 54.55 2i50 n ASP 103 Cb 1.04 -3.72 -0.00 0.00 -0.72 0.00 0.00 41.12 37.72 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 -3.63 0.33 -0.16 1.67 4.22 -1.15 -5.03 114.94 111.19 2i50 s ASN 104 Ca 0.15 -1.24 -0.10 0.00 -2.14 0.00 0.00 52.86 49.53 2i50 s ASN 104 Cb -0.02 0.77 -0.05 0.00 1.28 0.00 0.00 41.25 43.23 2i50 s ASN 104 CO 0.51 -1.51 0.17 -0.70 -2.04 0.00 0.00 177.10 173.52 2i50 s GLU 105 N -2.72 4.00 -0.05 3.55 2.12 -1.26 -1.57 118.70 122.76 2i50 s GLU 105 Ca 0.21 -0.12 -0.13 0.00 0.36 0.00 0.00 54.97 55.29 2i50 s GLU 105 Cb -0.03 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 2i50 s GLU 105 CO 0.14 0.43 0.33 0.08 -0.54 0.00 0.00 175.26 175.70 2i50 s VAL 106 N -0.04 5.19 -0.10 3.70 1.01 0.77 -4.97 120.40 125.95 2i50 s VAL 106 Ca 0.12 0.65 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 2i50 s VAL 106 Cb -0.12 -3.62 -0.27 0.00 0.00 0.00 0.00 36.38 32.37 2i50 s VAL 106 CO 0.01 0.56 0.55 1.56 0.00 0.00 0.00 175.10 177.79 2i50 h GLN 107 N 5.04 0.24 -2.24 2.72 7.50 -1.98 -3.30 115.11 123.08 2i50 h GLN 107 Ca -0.51 -0.41 0.22 0.00 0.50 0.00 0.00 58.65 58.46 2i50 h GLN 107 Cb 1.22 0.15 -0.08 0.00 0.05 0.00 0.00 27.48 28.82 2i50 h GLN 107 CO 0.62 1.19 -0.46 2.48 -1.50 0.00 0.00 178.83 181.17 2i50 n TYR 108 N -3.93 -2.20 -4.06 2.96 0.18 -1.26 -5.00 117.16 103.85 2i50 n TYR 108 Ca -0.25 1.13 -0.08 0.00 1.88 0.00 0.00 57.90 60.59 2i50 n TYR 108 Cb 0.89 -2.00 -0.10 0.00 -0.38 0.00 0.00 39.34 37.76 2i50 n TYR 108 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2i50 h SER 110 N 3.55 0.00 0.74 0.00 4.64 -1.95 -1.28 113.55 119.24 2i50 h SER 110 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2i50 h SER 110 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2i50 h SER 110 CO 0.59 0.07 -0.73 -1.54 -0.87 0.00 0.00 176.83 174.35 2i50 n SER 111 N -3.33 0.67 -4.79 4.97 3.41 -1.26 -3.95 113.62 109.33 2i50 n SER 111 Ca -0.01 0.02 -0.39 0.00 -0.26 0.00 0.00 58.87 58.23 2i50 n SER 111 Cb 0.24 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 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 -4.10 7.26 0.39 4.04 3.84 -0.49 -4.88 114.94 121.00 2i50 s ASN 112 Ca 0.06 1.53 0.14 0.00 0.21 0.00 0.00 52.86 54.79 2i50 s ASN 112 Cb 0.14 -2.46 0.97 0.00 -0.55 0.00 0.00 41.25 39.35 2i50 s ASN 112 CO 0.74 0.19 1.84 -0.61 -2.79 0.00 0.00 177.10 176.48 2i50 h GLN 113 N 4.20 0.51 -0.45 0.43 4.15 -1.89 0.36 115.11 122.43 2i50 h GLN 113 Ca -0.48 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 58.81 2i50 h GLN 113 Cb 1.21 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2i50 h GLN 113 CO 0.65 0.34 -0.12 1.25 -1.93 0.00 0.00 178.83 179.02 2i50 h LEU 114 N 0.53 0.88 -0.34 -2.39 5.85 -1.92 0.51 115.31 118.42 2i50 h LEU 114 Ca 0.49 -0.36 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 2i50 h LEU 114 Cb 1.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2i50 h LEU 114 CO -0.22 1.04 -0.33 1.23 -0.34 0.00 0.00 178.44 179.82 2i50 h GLY 115 N 0.70 0.90 0.52 3.75 0.00 -0.91 -1.04 103.07 107.00 2i50 h GLY 115 Ca 0.11 -0.92 0.09 0.00 0.00 0.00 0.00 47.33 46.62 2i50 h GLY 115 CO 0.05 0.83 0.46 1.46 0.00 0.00 0.00 176.54 179.33 2i50 h GLN 116 N 0.61 0.74 0.00 4.80 4.20 -0.08 0.10 115.11 125.48 2i50 h GLN 116 Ca 0.05 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 2i50 h GLN 116 Cb 0.92 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 28.54 2i50 h GLN 116 CO 0.08 0.49 -0.40 0.28 -0.67 0.00 0.00 178.83 178.62 2i50 h VAL 117 N 0.76 1.50 -0.94 -0.54 2.07 -0.77 -0.69 116.25 117.64 2i50 h VAL 117 Ca 0.39 -2.01 0.13 0.00 0.82 0.00 0.00 66.70 66.03 2i50 h VAL 117 Cb 0.36 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 32.77 2i50 h VAL 117 CO -0.25 0.57 0.60 0.58 0.02 0.00 0.00 177.57 179.08 2i50 h VAL 118 N -0.35 0.88 -0.26 2.57 2.07 -0.89 0.52 116.25 120.79 2i50 h VAL 118 Ca -0.05 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2i50 h VAL 118 Cb 1.14 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2i50 h VAL 118 CO 0.08 0.15 0.03 -0.78 0.02 0.00 0.00 177.57 177.07 2i50 h ASP 119 N 0.83 0.43 -0.15 0.57 1.82 -0.72 0.13 116.42 119.33 2i50 h ASP 119 Ca 0.47 -0.28 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 2i50 h ASP 119 Cb 0.60 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2i50 h ASP 119 CO -0.23 0.61 0.07 0.22 -1.61 0.00 0.00 179.24 178.30 2i50 h TYR 120 N 0.25 0.22 -0.05 0.28 3.20 0.27 -1.07 116.97 120.06 2i50 h TYR 120 Ca 0.08 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 2i50 h TYR 120 Cb 0.37 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2i50 h TYR 120 CO 0.03 0.26 -0.39 0.28 -1.64 0.00 0.00 178.16 176.70 2i50 h VAL 121 N 0.11 1.29 -0.29 1.81 2.07 0.11 0.78 116.25 122.13 2i50 h VAL 121 Ca 0.05 -1.40 -0.10 0.00 0.82 0.00 0.00 66.70 66.07 2i50 h VAL 121 Cb 0.12 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2i50 h VAL 121 CO -0.01 0.41 -0.25 -0.09 0.02 0.00 0.00 177.57 177.65 2i50 h ARG 122 N 0.10 0.57 0.00 1.57 2.43 -0.37 0.75 114.38 119.43 2i50 h ARG 122 Ca 0.01 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 2i50 h ARG 122 Cb 0.73 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2i50 h ARG 122 CO 0.05 0.77 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.87 2i50 h LYS 123 N 0.50 0.00 -0.03 0.20 3.64 0.22 0.53 116.57 121.63 2i50 h LYS 123 Ca 0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2i50 h LYS 123 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2i50 h LYS 123 CO 0.05 0.20 -0.11 1.96 -2.27 0.00 0.00 179.45 179.28 2i50 h GLN 124 N 0.00 0.13 -0.09 1.90 1.08 0.77 -3.29 115.11 115.61 2i50 h GLN 124 Ca -0.00 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 56.96 2i50 h GLN 124 Cb 0.86 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 2i50 h GLN 124 CO 0.03 0.74 -0.55 0.00 -0.95 0.00 0.00 178.83 178.10 2i50 h ALA 125 N 0.39 0.89 0.00 3.87 0.00 -0.89 -3.51 119.26 120.01 2i50 h ALA 125 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2i50 h ALA 125 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2i50 h ALA 125 CO 0.02 0.69 0.00 0.43 0.00 0.00 0.00 179.25 180.40