#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5h n GLN 2 N 0.00 -1.27 -1.51 -1.46 3.00 -1.26 -5.14 117.38 109.75 3i5h n GLN 2 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 3i5h n GLN 2 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 30.24 30.38 3i5h n GLN 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3i5h n LEU 3 N 0.00 0.00 -4.75 1.08 4.77 -1.26 -5.09 117.00 111.75 3i5h n LEU 3 Ca 0.00 -1.15 -0.23 0.00 -0.03 0.00 0.00 56.01 54.60 3i5h n LEU 3 Cb 0.00 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.31 3i5h n LEU 3 CO 0.00 -1.16 -0.17 0.42 -1.33 0.00 0.00 177.39 175.15 3i5h s THR 4 N -3.04 2.90 0.10 -5.08 -4.23 -1.26 -4.99 115.64 100.05 3i5h s THR 4 Ca 0.55 -1.65 -0.33 0.00 -1.18 0.00 0.00 61.69 59.08 3i5h s THR 4 Cb -0.02 -2.99 -0.13 0.00 1.34 0.00 0.00 72.50 70.70 3i5h s THR 4 CO 0.38 -0.14 1.57 0.11 -0.54 0.00 0.00 174.62 176.01 3i5h h LYS 5 N 1.47 -0.73 -0.55 3.99 1.57 -1.99 0.06 116.57 120.39 3i5h h LYS 5 Ca -0.43 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.49 3i5h h LYS 5 Cb 1.25 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.66 3i5h h LYS 5 CO 0.63 -0.48 0.15 -0.44 -0.57 0.00 0.00 179.45 178.74 3i5h h ASP 6 N -0.75 0.08 -0.96 0.86 3.32 -1.99 0.33 116.42 117.30 3i5h h ASP 6 Ca -0.00 0.09 0.22 0.00 0.02 0.00 0.00 57.03 57.36 3i5h h ASP 6 Cb 0.74 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 3i5h h ASP 6 CO -0.22 0.06 0.63 -0.33 -1.72 0.00 0.00 179.24 177.66 3i5h h GLU 7 N 0.30 0.41 0.10 3.56 5.08 -1.74 -0.27 114.58 122.02 3i5h h GLU 7 Ca 0.28 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3i5h h GLU 7 Cb 0.36 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3i5h h GLU 7 CO -0.32 0.27 -0.05 0.82 -1.00 0.00 0.00 179.01 178.73 3i5h h ILE 8 N 0.42 1.12 -0.92 3.13 2.04 0.15 -1.56 117.51 121.90 3i5h h ILE 8 Ca 0.52 -1.17 0.25 0.00 1.00 0.00 0.00 64.86 65.45 3i5h h ILE 8 Cb 1.28 1.83 -0.14 0.00 -0.74 0.00 0.00 36.82 39.05 3i5h h ILE 8 CO -0.22 0.27 0.38 -0.08 0.00 0.00 0.00 178.15 178.49 3i5h h GLU 9 N -0.71 0.31 0.34 2.37 4.57 -0.06 0.68 114.58 122.07 3i5h h GLU 9 Ca -0.01 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3i5h h GLU 9 Cb 0.55 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3i5h h GLU 9 CO 0.02 0.20 -0.16 1.49 -1.18 0.00 0.00 179.01 179.38 3i5h h GLU 10 N 0.31 -0.44 -0.59 1.92 4.81 -0.98 0.25 114.58 119.86 3i5h h GLU 10 Ca 0.60 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.97 3i5h h GLU 10 Cb 1.22 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.59 3i5h h GLU 10 CO -0.59 -0.14 -0.16 0.28 -0.73 0.00 0.00 179.01 177.67 3i5h h VAL 11 N -0.75 0.40 0.00 0.32 2.07 0.10 -2.78 116.25 115.61 3i5h h VAL 11 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3i5h h VAL 11 Cb 0.51 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3i5h h VAL 11 CO 0.08 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.53 3i5h n ARG 12 N -5.41 0.00 -0.19 1.57 0.63 0.22 -0.62 116.66 112.85 3i5h n ARG 12 Ca 0.06 0.38 0.09 0.00 -0.92 0.00 0.00 57.85 57.47 3i5h n ARG 12 Cb 0.31 -1.09 0.18 0.00 0.45 0.00 0.00 32.46 32.31 3i5h n ARG 12 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3i5h n GLU 13 N -1.12 -0.04 0.01 -0.14 2.13 0.83 0.40 120.64 122.71 3i5h n GLU 13 Ca 0.00 0.84 -0.13 0.00 0.66 0.00 0.00 57.16 58.53 3i5h n GLU 13 Cb 0.00 -1.35 -0.09 0.00 0.27 0.00 0.00 31.44 30.27 3i5h n GLU 13 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i5h h VAL 14 N 0.00 1.24 -0.70 6.31 2.07 -1.23 -2.77 116.25 121.18 3i5h h VAL 14 Ca 0.35 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 67.24 3i5h h VAL 14 Cb 0.75 1.77 -0.13 0.00 -1.52 0.00 0.00 31.29 32.15 3i5h h VAL 14 CO -0.52 0.20 -0.23 0.15 0.02 0.00 0.00 177.57 177.19 3i5h h PHE 15 N -0.34 -0.54 -0.55 1.57 3.57 1.01 0.11 116.94 121.77 3i5h h PHE 15 Ca -0.00 0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3i5h h PHE 15 Cb 0.34 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.36 3i5h h PHE 15 CO 0.04 -0.33 0.20 -0.44 -2.23 0.00 0.00 178.31 175.54 3i5h h ASP 16 N -0.04 0.20 -0.19 0.41 3.32 -0.83 -0.29 116.42 118.99 3i5h h ASP 16 Ca 0.32 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.49 3i5h h ASP 16 Cb 0.54 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 3i5h h ASP 16 CO -0.74 0.13 -0.42 0.25 -1.72 0.00 0.00 179.24 176.74 3i5h h LEU 17 N 0.38 -1.34 -0.40 1.55 5.85 -0.51 0.47 115.31 121.30 3i5h h LEU 17 Ca 0.27 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 3i5h h LEU 17 Cb 0.31 0.55 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3i5h h LEU 17 CO -0.27 -0.41 0.25 -0.26 -0.34 0.00 0.00 178.44 177.40 3i5h h PHE 18 N -0.46 0.53 -0.15 1.25 -1.00 -0.67 -2.16 116.94 114.29 3i5h h PHE 18 Ca 0.09 -0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.79 3i5h h PHE 18 Cb 0.62 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 3i5h h PHE 18 CO -0.51 0.38 -0.24 0.38 -1.61 0.00 0.00 178.31 176.70 3i5h h ASP 19 N 0.53 0.26 0.00 2.17 2.03 -0.63 -3.09 116.42 117.70 3i5h h ASP 19 Ca 0.15 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 3i5h h ASP 19 Cb -0.00 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 3i5h h ASP 19 CO -0.03 0.52 0.00 0.33 -1.03 0.00 0.00 179.24 179.03 3i5h n PHE 20 N -4.16 0.00 0.09 4.15 7.35 0.16 -1.43 117.46 123.62 3i5h n PHE 20 Ca -0.01 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.71 3i5h n PHE 20 Cb 0.36 -0.46 0.14 0.00 0.35 0.00 0.00 39.48 39.86 3i5h n PHE 20 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 3i5h n TRP 21 N -2.21 0.17 -0.94 -5.13 7.02 -0.87 0.58 117.44 116.06 3i5h n TRP 21 Ca 0.00 0.09 0.09 0.00 -1.02 0.00 0.00 57.50 56.66 3i5h n TRP 21 Cb 0.00 -0.34 0.13 0.00 -2.42 0.00 0.00 31.31 28.68 3i5h n TRP 21 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3i5h n ASP 22 N -1.62 2.40 0.00 -0.99 5.68 -0.63 -5.00 116.55 116.38 3i5h n ASP 22 Ca -0.00 -2.96 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 3i5h n ASP 22 Cb 0.39 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3i5h n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i5h n GLY 23 N -1.27 0.76 0.76 6.12 0.00 0.20 -4.92 105.19 106.84 3i5h n GLY 23 Ca 0.14 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 3i5h n GLY 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i5h n ARG 24 N 0.00 0.00 -0.60 1.61 0.63 -0.99 -4.63 116.66 112.68 3i5h n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i5h n ARG 24 Cb 0.00 -0.22 0.00 0.00 0.45 0.00 0.00 32.46 32.69 3i5h n ARG 24 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 3i5h n ASP 25 N 1.22 0.06 0.00 6.15 5.75 -1.26 -4.99 116.55 123.47 3i5h n ASP 25 Ca 0.15 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 3i5h n ASP 25 Cb 0.03 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 3i5h n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i5h n GLY 26 N 0.04 0.62 3.16 6.12 0.00 -1.26 -4.99 105.19 108.89 3i5h n GLY 26 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3i5h n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5h s ASP 27 N -2.50 2.24 -0.06 1.61 1.01 -1.26 -4.26 116.67 113.45 3i5h s ASP 27 Ca 0.00 -0.36 0.04 0.00 0.71 0.00 0.00 52.55 52.94 3i5h s ASP 27 Cb 0.00 -0.48 -0.02 0.00 1.01 0.00 0.00 42.92 43.43 3i5h s ASP 27 CO 0.00 0.19 -0.17 -0.69 0.21 0.00 0.00 175.17 174.70 3i5h s VAL 28 N -0.16 2.76 0.51 -1.27 1.01 -0.60 -4.47 120.40 118.18 3i5h s VAL 28 Ca 0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 3i5h s VAL 28 Cb -0.10 -2.07 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 3i5h s VAL 28 CO 0.01 0.58 1.17 -0.62 0.00 0.00 0.00 175.10 176.24 3i5h s ASP 29 N -0.45 5.85 0.18 3.32 -1.08 -1.26 -0.85 116.67 122.37 3i5h s ASP 29 Ca 0.05 2.30 -0.11 0.00 -0.52 0.00 0.00 52.55 54.28 3i5h s ASP 29 Cb -0.12 -2.60 0.08 0.00 -1.46 0.00 0.00 42.92 38.82 3i5h s ASP 29 CO 0.02 -1.13 1.69 0.00 0.52 0.00 0.00 175.17 176.26 3i5h h ALA 30 N 1.59 0.81 0.00 3.66 0.00 -1.14 -2.61 119.26 121.57 3i5h h ALA 30 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3i5h h ALA 30 Cb 1.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i5h h ALA 30 CO 0.58 0.51 0.30 0.00 0.00 0.00 0.00 179.25 180.64 3i5h n ALA 31 N -2.42 0.34 -0.01 0.00 0.00 -1.25 0.12 120.51 117.29 3i5h n ALA 31 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 3i5h n ALA 31 Cb 0.23 -0.32 0.02 0.00 0.00 0.00 0.00 19.45 19.38 3i5h n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i5h n LYS 32 N -1.10 2.51 -0.15 0.00 4.76 -0.98 -4.69 118.16 118.51 3i5h n LYS 32 Ca 0.00 -1.45 0.05 0.00 -2.87 0.00 0.00 58.31 54.04 3i5h n LYS 32 Cb 0.30 -1.03 0.34 0.00 -1.84 0.00 0.00 35.03 32.80 3i5h n LYS 32 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i5h h VAL 33 N 0.26 1.08 0.00 -0.18 2.07 0.74 0.21 116.25 120.44 3i5h h VAL 33 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3i5h h VAL 33 Cb 0.47 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3i5h h VAL 33 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.34 3i5h n GLY 34 N -1.45 -2.43 0.33 2.17 0.00 -1.26 -1.45 105.19 101.10 3i5h n GLY 34 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3i5h n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i5h h ASP 35 N 0.00 -0.55 -0.03 1.61 3.32 -1.82 0.19 116.42 119.14 3i5h h ASP 35 Ca 0.00 0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.32 3i5h h ASP 35 Cb 0.00 0.48 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3i5h h ASP 35 CO 0.00 -0.30 -0.12 0.25 -1.72 0.00 0.00 179.24 177.35 3i5h h LEU 36 N 0.03 -0.39 -0.92 1.55 5.85 -0.50 -0.22 115.31 120.72 3i5h h LEU 36 Ca 0.52 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.55 3i5h h LEU 36 Cb 0.97 0.15 -0.16 0.00 0.37 0.00 0.00 40.66 42.00 3i5h h LEU 36 CO -0.87 -0.11 0.20 -0.07 -0.34 0.00 0.00 178.44 177.25 3i5h h LEU 37 N -0.13 -0.12 -0.66 2.25 3.38 0.15 0.24 115.31 120.41 3i5h h LEU 37 Ca 0.01 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3i5h h LEU 37 Cb 0.15 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3i5h h LEU 37 CO -0.10 -0.24 0.36 0.03 0.09 0.00 0.00 178.44 178.58 3i5h h ARG 38 N 0.13 0.93 0.00 1.13 3.08 -0.21 0.20 114.38 119.63 3i5h h ARG 38 Ca 0.59 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.53 3i5h h ARG 38 Cb 1.25 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3i5h h ARG 38 CO -0.75 0.70 0.00 0.00 -1.07 0.00 0.00 179.97 178.86 3i5h n LEU 40 N -1.82 0.63 0.00 0.00 4.77 0.65 -4.94 117.00 116.29 3i5h n LEU 40 Ca 0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3i5h n LEU 40 Cb 0.07 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3i5h n LEU 40 CO 0.08 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3i5h n GLY 41 N 1.38 0.68 3.91 -0.72 0.00 0.58 -5.10 105.19 105.92 3i5h n GLY 41 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3i5h n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i5h s MET 42 N -0.60 2.85 -0.51 1.61 -1.94 -1.09 -4.97 119.30 114.64 3i5h s MET 42 Ca 0.00 0.05 0.04 0.00 -1.71 0.00 0.00 55.69 54.07 3i5h s MET 42 Cb 0.00 -2.22 0.17 0.00 2.01 0.00 0.00 34.83 34.78 3i5h s MET 42 CO 0.00 -0.80 0.38 -0.80 -0.01 0.00 0.00 175.02 173.79 3i5h s ASN 43 N -4.33 2.73 0.50 3.03 0.01 -1.26 -3.93 114.94 111.68 3i5h s ASN 43 Ca 0.55 -3.26 -0.18 0.00 -0.71 0.00 0.00 52.86 49.26 3i5h s ASN 43 Cb -0.11 -0.86 -0.08 0.00 0.41 0.00 0.00 41.25 40.61 3i5h s ASN 43 CO 0.46 -0.15 1.00 -2.16 -1.51 0.00 0.00 177.10 174.73 3i5h s PRO 44 N -0.37 3.89 0.27 -0.60 0.04 -1.26 -5.03 135.00 131.95 3i5h s PRO 44 Ca 0.29 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 3i5h s PRO 44 Cb -0.02 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 3i5h s PRO 44 CO -0.17 -0.32 0.51 0.95 0.04 0.00 0.00 177.00 178.01 3i5h s THR 45 N -2.39 5.09 0.16 1.26 -4.23 -1.26 -4.91 115.64 109.36 3i5h s THR 45 Ca 0.62 -0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 60.80 3i5h s THR 45 Cb -0.12 -3.75 0.08 0.00 1.34 0.00 0.00 72.50 70.05 3i5h s THR 45 CO 0.26 -0.32 1.66 -0.33 -0.54 0.00 0.00 174.62 175.35 3i5h h GLU 46 N 1.62 -0.05 -0.97 3.99 5.08 -1.99 0.59 114.58 122.84 3i5h h GLU 46 Ca -0.48 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.03 3i5h h GLU 46 Cb 1.19 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.37 3i5h h GLU 46 CO 0.66 -0.04 0.61 0.00 -1.00 0.00 0.00 179.01 179.25 3i5h h ALA 47 N 1.27 1.65 -0.22 3.43 0.00 -2.00 0.34 119.26 123.73 3i5h h ALA 47 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i5h h ALA 47 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i5h h ALA 47 CO -0.41 0.07 0.09 1.96 0.00 0.00 0.00 179.25 180.96 3i5h h GLN 48 N 0.85 0.30 -0.01 0.00 4.20 -0.27 -1.22 115.11 118.97 3i5h h GLN 48 Ca 0.50 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 3i5h h GLN 48 Cb 0.65 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3i5h h GLN 48 CO -0.27 0.25 -0.11 0.28 -0.67 0.00 0.00 178.83 178.31 3i5h h VAL 49 N 0.30 1.57 -0.37 -0.54 2.07 0.13 -3.18 116.25 116.23 3i5h h VAL 49 Ca 0.08 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3i5h h VAL 49 Cb 0.06 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3i5h h VAL 49 CO -0.01 0.49 0.19 0.45 0.02 0.00 0.00 177.57 178.71 3i5h h HIS 50 N -0.62 0.53 0.00 1.57 3.86 -1.20 -0.27 115.15 119.02 3i5h h HIS 50 Ca -0.01 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3i5h h HIS 50 Cb 0.85 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3i5h h HIS 50 CO 0.18 0.43 0.00 1.04 0.86 0.00 0.00 177.93 180.44 3i5h n GLN 51 N -4.73 0.18 -0.78 2.45 6.02 -0.47 -1.67 117.38 118.37 3i5h n GLN 51 Ca -0.00 0.01 0.05 0.00 -0.01 0.00 0.00 57.00 57.05 3i5h n GLN 51 Cb 0.10 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 29.97 3i5h n GLN 51 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3i5h n HIS 52 N -1.02 0.00 0.00 1.08 8.25 -0.26 -4.99 115.22 118.28 3i5h n HIS 52 Ca 0.04 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 3i5h n HIS 52 Cb 0.02 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3i5h n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i5h n GLY 53 N -0.53 2.35 3.68 -1.41 0.00 -0.67 -5.01 105.19 103.59 3i5h n GLY 53 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3i5h n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5h n GLY 54 N -0.30 0.36 3.38 -0.02 0.00 -0.34 -4.95 105.19 103.31 3i5h n GLY 54 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3i5h n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i5h s THR 55 N -1.19 1.95 -0.10 2.61 -4.23 -1.26 -4.39 115.64 109.03 3i5h s THR 55 Ca 0.60 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.83 3i5h s THR 55 Cb -0.54 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 3i5h s THR 55 CO 0.59 -0.52 -0.06 0.50 -0.54 0.00 0.00 174.62 174.58 3i5h h LYS 56 N 2.53 0.00 -7.13 3.99 1.63 -1.94 -3.32 116.57 112.33 3i5h h LYS 56 Ca -0.39 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 58.91 3i5h h LYS 56 Cb 1.23 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 32.94 3i5h h LYS 56 CO 0.61 0.00 0.41 -1.59 -3.45 0.00 0.00 179.45 175.42 3i5h s LYS 57 N -1.71 3.22 0.38 1.90 -2.85 -1.26 -4.73 119.74 114.68 3i5h s LYS 57 Ca -0.05 1.49 0.09 0.00 -1.00 0.00 0.00 55.97 56.49 3i5h s LYS 57 Cb 0.01 -2.00 0.75 0.00 -2.06 0.00 0.00 37.83 34.53 3i5h s LYS 57 CO 0.08 -0.93 1.91 0.52 0.10 0.00 0.00 175.35 177.02 3i5h h MET 58 N 0.81 0.29 -0.92 1.78 2.86 -1.96 -3.35 114.93 114.44 3i5h h MET 58 Ca -0.49 -0.06 -0.40 0.00 -2.06 0.00 0.00 59.70 56.68 3i5h h MET 58 Cb 1.25 -0.04 -0.24 0.00 0.06 0.00 0.00 31.60 32.63 3i5h h MET 58 CO 0.56 0.41 0.51 0.41 1.06 0.00 0.00 176.91 179.86 3i5h n GLY 59 N -0.88 4.12 0.09 8.32 0.00 -1.26 -4.66 105.19 110.91 3i5h n GLY 59 Ca -0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3i5h n GLY 59 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i5h h GLU 60 N 1.50 0.00 -3.49 1.61 5.08 -1.99 -3.49 114.58 113.80 3i5h h GLU 60 Ca 0.50 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.69 3i5h h GLU 60 Cb 2.64 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 31.65 3i5h h GLU 60 CO 0.95 0.55 -0.54 0.21 -1.00 0.00 0.00 179.01 179.18 3i5h s LYS 61 N -2.28 0.31 0.24 2.33 2.20 -1.26 -5.08 119.74 116.19 3i5h s LYS 61 Ca -0.22 -0.12 0.10 0.00 -0.36 0.00 0.00 55.97 55.37 3i5h s LYS 61 Cb 0.04 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.45 3i5h s LYS 61 CO 0.42 -0.06 -0.06 0.00 -0.36 0.00 0.00 175.35 175.28 3i5h s ALA 62 N -0.67 3.03 0.01 3.13 0.00 -1.26 -0.56 121.76 125.44 3i5h s ALA 62 Ca -0.08 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 50.28 3i5h s ALA 62 Cb -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 3i5h s ALA 62 CO 0.01 0.33 -0.09 0.71 0.00 0.00 0.00 175.76 176.72 3i5h s TYR 63 N -2.16 0.81 0.49 0.00 4.12 -0.03 -4.88 117.35 115.70 3i5h s TYR 63 Ca 0.29 -0.23 0.01 0.00 0.02 0.00 0.00 57.07 57.16 3i5h s TYR 63 Cb -0.07 -0.50 0.01 0.00 -1.52 0.00 0.00 41.96 39.88 3i5h s TYR 63 CO 0.18 -0.01 0.70 0.15 0.02 0.00 0.00 175.55 176.59 3i5h s LYS 64 N -0.59 2.83 0.41 -0.62 1.02 -1.26 -1.56 119.74 119.98 3i5h s LYS 64 Ca 0.01 -0.67 0.08 0.00 0.02 0.00 0.00 55.97 55.40 3i5h s LYS 64 Cb -0.05 -2.55 0.88 0.00 -0.52 0.00 0.00 37.83 35.59 3i5h s LYS 64 CO 0.00 -0.45 2.05 1.25 -0.92 0.00 0.00 175.35 177.28 3i5h h LEU 65 N 0.29 0.41 -1.43 3.17 5.85 -2.01 -0.55 115.31 121.04 3i5h h LEU 65 Ca -0.44 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3i5h h LEU 65 Cb 1.27 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3i5h h LEU 65 CO 0.54 0.33 0.00 -0.33 -0.34 0.00 0.00 178.44 178.64 3i5h h GLU 66 N 0.48 0.00 0.03 1.25 3.07 -1.95 -3.06 114.58 114.40 3i5h h GLU 66 Ca 0.13 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.67 3i5h h GLU 66 Cb -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3i5h h GLU 66 CO -0.02 0.00 -1.83 0.39 -1.40 0.00 0.00 179.01 176.15 3i5h n GLU 67 N -2.87 0.66 -0.06 2.33 1.02 -0.25 -4.36 120.64 117.12 3i5h n GLU 67 Ca 0.01 0.27 -0.13 0.00 -0.02 0.00 0.00 57.16 57.28 3i5h n GLU 67 Cb 0.26 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 3i5h n GLU 67 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3i5h h ILE 68 N 0.01 1.34 -0.31 -3.67 2.04 -1.40 -3.27 117.51 112.26 3i5h h ILE 68 Ca -0.34 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.20 3i5h h ILE 68 Cb 2.03 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 39.94 3i5h h ILE 68 CO 0.07 0.40 -0.19 -0.07 0.00 0.00 0.00 178.15 178.36 3i5h h LEU 69 N 0.03 -0.70 -1.18 1.44 3.38 -1.73 1.02 115.31 117.57 3i5h h LEU 69 Ca 0.02 0.10 0.24 0.00 0.09 0.00 0.00 57.88 58.34 3i5h h LEU 69 Cb 0.71 0.31 -0.11 0.00 0.09 0.00 0.00 40.66 41.66 3i5h h LEU 69 CO 0.04 -0.08 0.63 1.55 0.09 0.00 0.00 178.44 180.67 3i5h h PRO 70 N -0.01 0.51 0.71 1.13 0.13 -1.78 0.61 132.00 133.30 3i5h h PRO 70 Ca 0.05 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 3i5h h PRO 70 Cb 0.14 -0.11 0.01 0.00 0.13 0.00 0.00 31.00 31.16 3i5h h PRO 70 CO -0.29 0.34 -0.34 0.82 -0.23 0.00 0.00 178.00 178.29 3i5h h ILE 71 N 0.52 0.18 -0.60 -3.56 2.04 0.29 0.52 117.51 116.91 3i5h h ILE 71 Ca 0.61 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 66.38 3i5h h ILE 71 Cb 1.29 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 37.48 3i5h h ILE 71 CO -0.37 0.02 -0.26 0.22 0.00 0.00 0.00 178.15 177.76 3i5h h TYR 72 N -1.12 -0.67 0.19 1.37 3.20 0.19 0.13 116.97 120.26 3i5h h TYR 72 Ca -0.10 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3i5h h TYR 72 Cb 0.76 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 3i5h h TYR 72 CO -0.00 -0.34 -0.36 1.49 -1.64 0.00 0.00 178.16 177.31 3i5h h GLU 73 N -0.10 -0.57 -0.20 1.82 4.81 0.63 -1.89 114.58 119.08 3i5h h GLU 73 Ca 0.27 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 3i5h h GLU 73 Cb 0.52 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 3i5h h GLU 73 CO -0.67 -0.38 -0.33 0.93 -0.73 0.00 0.00 179.01 177.83 3i5h h GLU 74 N -0.59 -0.26 -1.43 1.92 4.39 0.41 0.35 114.58 119.37 3i5h h GLU 74 Ca -0.02 0.02 0.43 0.00 0.34 0.00 0.00 59.36 60.13 3i5h h GLU 74 Cb 0.55 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 3i5h h GLU 74 CO -0.13 -0.18 1.01 -0.12 -1.16 0.00 0.00 179.01 178.43 3i5h n MET 75 N -4.31 -0.01 0.02 2.33 1.56 0.41 0.35 117.12 117.47 3i5h n MET 75 Ca -0.03 0.88 0.14 0.00 -0.27 0.00 0.00 57.70 58.42 3i5h n MET 75 Cb 0.21 -1.95 0.53 0.00 2.15 0.00 0.00 33.22 34.16 3i5h n MET 75 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 3i5h n SER 76 N -3.70 0.22 0.00 6.12 7.64 0.12 -3.75 113.62 120.28 3i5h n SER 76 Ca 0.34 0.42 -0.01 0.00 1.01 0.00 0.00 58.87 60.63 3i5h n SER 76 Cb 1.49 -0.45 0.26 0.00 -1.01 0.00 0.00 64.21 64.51 3i5h n SER 76 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3i5h h SER 77 N 0.00 0.49 -4.08 6.43 0.02 0.62 -3.43 113.55 113.60 3i5h h SER 77 Ca 0.00 -0.11 -0.53 0.00 -0.84 0.00 0.00 61.79 60.30 3i5h h SER 77 Cb 0.55 -0.13 0.12 0.00 0.14 0.00 0.00 62.40 63.07 3i5h h SER 77 CO 0.00 0.62 0.50 -0.75 -1.14 0.00 0.00 176.83 176.05 3i5h s LYS 78 N -4.82 3.04 0.00 3.45 2.47 -1.25 -4.95 119.74 117.68 3i5h s LYS 78 Ca -0.07 1.90 0.00 0.00 -1.56 0.00 0.00 55.97 56.24 3i5h s LYS 78 Cb 0.15 -2.01 0.00 0.00 -1.46 0.00 0.00 37.83 34.51 3i5h s LYS 78 CO 0.77 -1.17 0.13 -0.25 0.16 0.00 0.00 175.35 174.99 3i5h n ASP 79 N -1.43 0.26 -2.90 1.43 8.00 -1.26 -4.71 116.55 115.93 3i5h n ASP 79 Ca 0.13 -0.60 -0.32 0.00 0.71 0.00 0.00 54.79 54.71 3i5h n ASP 79 Cb 0.49 0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.87 3i5h n ASP 79 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3i5h n THR 80 N -0.32 4.15 0.19 -3.53 5.66 -1.26 -4.28 114.28 114.88 3i5h n THR 80 Ca 0.00 -3.44 0.08 0.00 -3.05 0.00 0.00 64.05 57.63 3i5h n THR 80 Cb 0.05 -1.86 0.30 0.00 -1.55 0.00 0.00 70.33 67.27 3i5h n THR 80 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 3i5h h GLY 81 N 4.80 0.00 0.00 1.09 0.00 -1.96 -3.49 103.07 103.51 3i5h h GLY 81 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3i5h h GLY 81 CO 1.12 0.00 0.00 2.41 0.00 0.00 0.00 176.54 180.07 3i5h n THR 82 N -3.33 0.00 -4.02 4.70 -1.04 -1.26 -4.99 114.28 104.33 3i5h n THR 82 Ca 0.01 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 3i5h n THR 82 Cb 0.53 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 3i5h n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5h s ALA 83 N 0.00 3.79 0.39 2.41 0.00 -1.26 -4.96 121.76 122.12 3i5h s ALA 83 Ca 0.00 -1.27 0.17 0.00 0.00 0.00 0.00 51.96 50.87 3i5h s ALA 83 Cb 0.00 -1.57 1.07 0.00 0.00 0.00 0.00 23.12 22.63 3i5h s ALA 83 CO 0.00 0.30 1.76 0.00 0.00 0.00 0.00 175.76 177.83 3i5h h ALA 84 N 1.50 2.17 -0.06 0.00 0.00 -2.00 -0.58 119.26 120.29 3i5h h ALA 84 Ca -0.50 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3i5h h ALA 84 Cb 1.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3i5h h ALA 84 CO 0.62 -0.59 -0.10 -0.44 0.00 0.00 0.00 179.25 178.74 3i5h h ASP 85 N 0.42 -0.33 -1.00 0.00 3.45 -2.00 -1.02 116.42 115.94 3i5h h ASP 85 Ca 0.61 0.04 0.21 0.00 0.43 0.00 0.00 57.03 58.32 3i5h h ASP 85 Cb 1.48 0.13 -0.10 0.00 -0.56 0.00 0.00 39.33 40.28 3i5h h ASP 85 CO -0.33 -0.08 0.62 -0.33 -1.57 0.00 0.00 179.24 177.55 3i5h h GLU 86 N -0.08 0.59 -0.05 3.56 5.08 -1.50 -0.66 114.58 121.52 3i5h h GLU 86 Ca 0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3i5h h GLU 86 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3i5h h GLU 86 CO -0.10 0.39 -0.43 0.74 -1.00 0.00 0.00 179.01 178.62 3i5h h PHE 87 N 0.61 0.12 0.00 4.33 0.05 -0.96 -2.25 116.94 118.84 3i5h h PHE 87 Ca 0.57 -0.03 0.00 0.00 3.82 0.00 0.00 57.97 62.33 3i5h h PHE 87 Cb 1.11 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 39.03 3i5h h PHE 87 CO -0.00 0.52 0.00 -0.12 -0.18 0.00 0.00 178.31 178.52 3i5h n MET 88 N -4.02 0.00 -0.34 1.51 1.56 -0.30 -0.87 117.12 114.66 3i5h n MET 88 Ca -0.02 0.44 0.13 0.00 -0.27 0.00 0.00 57.70 57.99 3i5h n MET 88 Cb 0.47 -1.20 0.26 0.00 2.15 0.00 0.00 33.22 34.90 3i5h n MET 88 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3i5h n GLU 89 N -1.83 -0.08 0.16 2.12 -0.58 -0.94 0.15 120.64 119.63 3i5h n GLU 89 Ca 0.00 1.48 -0.14 0.00 -0.42 0.00 0.00 57.16 58.08 3i5h n GLU 89 Cb 0.00 -2.33 -0.07 0.00 -0.57 0.00 0.00 31.44 28.47 3i5h n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i5h h ALA 90 N 1.96 -0.70 -0.15 0.62 0.00 -1.44 -2.50 119.26 117.06 3i5h h ALA 90 Ca 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3i5h h ALA 90 Cb 1.13 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3i5h h ALA 90 CO -0.94 -0.95 0.10 0.74 0.00 0.00 0.00 179.25 178.20 3i5h h PHE 91 N -0.66 0.19 -1.20 0.00 0.05 0.33 -2.54 116.94 113.12 3i5h h PHE 91 Ca 0.01 0.00 0.41 0.00 3.82 0.00 0.00 57.97 62.21 3i5h h PHE 91 Cb 0.65 -0.06 -0.14 0.00 2.00 0.00 0.00 35.95 38.39 3i5h h PHE 91 CO -0.28 0.14 0.74 0.87 -0.18 0.00 0.00 178.31 179.61 3i5h h LYS 92 N 0.19 0.11 -0.65 1.51 1.79 0.27 0.72 116.57 120.51 3i5h h LYS 92 Ca 0.05 -0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.71 3i5h h LYS 92 Cb -0.00 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 3i5h h LYS 92 CO -0.01 0.07 0.75 0.00 -1.08 0.00 0.00 179.45 179.18 3i5h h THR 93 N 0.11 0.21 -0.01 -0.16 1.03 -1.02 0.56 112.91 113.63 3i5h h THR 93 Ca 0.81 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 67.21 3i5h h THR 93 Cb 2.35 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.82 3i5h h THR 93 CO -0.51 0.00 -0.35 0.49 -0.01 0.00 0.00 175.52 175.14 3i5h n PHE 94 N -3.50 0.00 -2.13 0.00 3.01 0.25 -4.88 117.46 110.21 3i5h n PHE 94 Ca 0.13 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.30 3i5h n PHE 94 Cb 0.98 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.40 3i5h n PHE 94 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i5h s ASP 95 N -2.00 5.33 0.35 4.37 -1.08 0.20 -4.85 116.67 119.00 3i5h s ASP 95 Ca 0.15 -1.10 0.12 0.00 -0.52 0.00 0.00 52.55 51.19 3i5h s ASP 95 Cb 0.14 -2.57 0.91 0.00 -1.46 0.00 0.00 42.92 39.94 3i5h s ASP 95 CO 0.43 -2.63 1.79 0.03 0.52 0.00 0.00 175.17 175.30 3i5h h ARG 96 N 10.55 0.57 -0.03 4.34 3.08 -1.85 -2.85 114.38 128.19 3i5h h ARG 96 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3i5h h ARG 96 Cb 0.98 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3i5h h ARG 96 CO 1.25 0.38 0.00 0.39 -1.07 0.00 0.00 179.97 180.92 3i5h n GLU 97 N -4.69 2.38 -3.66 0.04 1.02 -1.26 -5.02 120.64 109.45 3i5h n GLU 97 Ca 0.23 -1.97 -0.27 0.00 -0.02 0.00 0.00 57.16 55.13 3i5h n GLU 97 Cb 0.69 -1.23 0.03 0.00 -0.02 0.00 0.00 31.44 30.91 3i5h n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i5h n GLY 98 N -0.77 -0.51 0.07 0.62 0.00 -1.08 -4.87 105.19 98.65 3i5h n GLY 98 Ca 0.07 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 3i5h n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5h n GLN 99 N -4.51 1.25 0.00 1.61 1.13 -1.26 -4.97 117.38 110.63 3i5h n GLN 99 Ca 0.01 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3i5h n GLN 99 Cb 0.54 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.49 3i5h n GLN 99 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5h n GLY 100 N 1.94 1.38 3.49 1.08 0.00 -1.26 -5.09 105.19 106.72 3i5h n GLY 100 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3i5h n GLY 100 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i5h s LEU 101 N 0.00 3.10 -0.03 0.99 1.43 -1.26 -2.40 118.68 120.52 3i5h s LEU 101 Ca 0.00 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3i5h s LEU 101 Cb 0.00 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 3i5h s LEU 101 CO 0.00 0.22 -0.16 -0.63 0.23 0.00 0.00 176.35 176.01 3i5h s ILE 102 N 0.05 1.33 0.10 -0.59 1.01 -1.06 -4.64 121.20 117.40 3i5h s ILE 102 Ca -0.01 -0.69 -0.32 0.00 0.00 0.00 0.00 60.65 59.63 3i5h s ILE 102 Cb -0.14 -1.13 -0.11 0.00 0.01 0.00 0.00 42.46 41.10 3i5h s ILE 102 CO 0.03 0.38 1.84 -0.24 0.00 0.00 0.00 174.94 176.96 3i5h n SER 103 N 2.91 3.96 -0.34 3.58 2.88 -1.26 -2.90 113.62 122.45 3i5h n SER 103 Ca -0.16 0.98 0.23 0.00 -1.33 0.00 0.00 58.87 58.59 3i5h n SER 103 Cb 0.54 -1.52 0.49 0.00 -0.75 0.00 0.00 64.21 62.97 3i5h n SER 103 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3i5h h SER 104 N 8.66 0.48 -0.49 -3.46 4.64 -1.94 0.34 113.55 121.78 3i5h h SER 104 Ca -0.47 0.10 0.10 0.00 -0.47 0.00 0.00 61.79 61.05 3i5h h SER 104 Cb 1.23 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 63.25 3i5h h SER 104 CO 0.94 0.07 -0.18 0.00 -0.87 0.00 0.00 176.83 176.79 3i5h h ALA 105 N 1.65 0.21 0.54 5.18 0.00 -2.00 -2.29 119.26 122.55 3i5h h ALA 105 Ca 0.62 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.68 3i5h h ALA 105 Cb 1.53 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.80 3i5h h ALA 105 CO -0.35 -0.51 -0.26 0.93 0.00 0.00 0.00 179.25 179.06 3i5h h GLU 106 N -0.07 -0.70 -0.59 0.00 5.08 -0.68 -0.85 114.58 116.77 3i5h h GLU 106 Ca 0.23 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.72 3i5h h GLU 106 Cb 0.43 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 3i5h h GLU 106 CO -0.54 -0.40 -0.45 0.82 -1.00 0.00 0.00 179.01 177.44 3i5h h ILE 107 N -0.99 0.07 -0.21 3.13 2.04 -1.40 0.94 117.51 121.09 3i5h h ILE 107 Ca -0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3i5h h ILE 107 Cb 0.63 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 3i5h h ILE 107 CO 0.12 0.00 -0.22 0.03 0.00 0.00 0.00 178.15 178.08 3i5h h ARG 108 N -0.23 -0.23 -0.82 2.37 3.08 -1.44 0.25 114.38 117.35 3i5h h ARG 108 Ca 0.17 0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.38 3i5h h ARG 108 Cb 0.56 0.05 -0.15 0.00 0.08 0.00 0.00 29.97 30.51 3i5h h ARG 108 CO -0.70 -0.16 -0.29 -0.97 -1.07 0.00 0.00 179.97 176.78 3i5h h ASN 109 N -0.24 -1.07 0.00 7.04 -0.73 0.11 0.94 115.58 121.64 3i5h h ASN 109 Ca 0.13 0.26 0.00 0.00 1.87 0.00 0.00 56.30 58.56 3i5h h ASN 109 Cb 0.44 0.60 0.00 0.00 0.27 0.00 0.00 38.32 39.63 3i5h h ASN 109 CO -0.36 -0.29 0.00 0.52 -0.37 0.00 0.00 177.43 176.93 3i5h n VAL 110 N -5.50 0.00 -0.33 2.57 0.31 0.29 0.39 118.33 116.06 3i5h n VAL 110 Ca 0.10 1.34 0.36 0.00 -0.01 0.00 0.00 64.34 66.13 3i5h n VAL 110 Cb 0.40 -2.16 0.69 0.00 -0.91 0.00 0.00 33.84 31.87 3i5h n VAL 110 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i5h h LEU 111 N 0.00 0.00 0.00 7.52 3.38 0.10 0.42 115.31 126.73 3i5h h LEU 111 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i5h h LEU 111 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i5h h LEU 111 CO 0.00 0.00 -0.23 0.29 0.09 0.00 0.00 178.44 178.59 3i5h n LYS 112 N -3.81 0.16 0.27 1.13 5.02 0.31 -2.18 118.16 119.05 3i5h n LYS 112 Ca 0.27 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 3i5h n LYS 112 Cb 1.43 -0.96 0.74 0.00 -0.02 0.00 0.00 35.03 36.22 3i5h n LYS 112 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3i5h h MET 113 N -0.32 0.00 0.00 1.97 2.86 0.09 -3.29 114.93 116.24 3i5h h MET 113 Ca 0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 3i5h h MET 113 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3i5h h MET 113 CO 0.00 0.10 -0.13 1.28 1.06 0.00 0.00 176.91 179.22 3i5h n LEU 114 N -3.81 0.00 0.00 1.22 4.77 0.14 -4.90 117.00 114.42 3i5h n LEU 114 Ca -0.02 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 3i5h n LEU 114 Cb 0.20 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3i5h n LEU 114 CO 0.30 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 3i5h n GLY 115 N 0.54 0.60 3.55 -0.72 0.00 -1.26 -2.53 105.19 105.38 3i5h n GLY 115 Ca 0.03 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3i5h n GLY 115 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i5h s GLU 116 N 0.00 2.53 0.65 1.61 2.02 -1.26 -4.88 118.70 119.36 3i5h s GLU 116 Ca 0.00 0.43 -0.11 0.00 0.02 0.00 0.00 54.97 55.31 3i5h s GLU 116 Cb 0.00 -4.60 -0.10 0.00 0.10 0.00 0.00 34.13 29.53 3i5h s GLU 116 CO 0.00 -3.01 -0.54 0.54 0.02 0.00 0.00 175.26 172.27 3i5h n ARG 117 N 9.07 0.00 -4.24 1.61 5.12 -1.05 -5.01 116.66 122.17 3i5h n ARG 117 Ca 0.28 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 56.03 3i5h n ARG 117 Cb 0.51 -0.65 -0.11 0.00 -1.16 0.00 0.00 32.46 31.05 3i5h n ARG 117 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i5h s ILE 118 N -1.29 1.29 0.59 0.55 1.01 -0.93 -5.01 121.20 117.41 3i5h s ILE 118 Ca 0.26 -1.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.01 3i5h s ILE 118 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3i5h s ILE 118 CO 0.53 -0.46 1.03 -0.89 0.00 0.00 0.00 174.94 175.15 3i5h s THR 119 N -2.28 4.17 0.17 2.92 2.01 -1.26 -4.60 115.64 116.76 3i5h s THR 119 Ca 0.10 0.95 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 3i5h s THR 119 Cb -0.04 -3.54 0.06 0.00 0.01 0.00 0.00 72.50 68.99 3i5h s THR 119 CO 0.03 -0.68 1.79 -0.08 -0.69 0.00 0.00 174.62 174.98 3i5h h GLU 120 N 0.34 0.47 0.11 4.92 4.57 -1.98 -1.18 114.58 121.82 3i5h h GLU 120 Ca -0.46 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3i5h h GLU 120 Cb 1.20 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 3i5h h GLU 120 CO 0.59 0.31 -0.16 0.22 -1.18 0.00 0.00 179.01 178.79 3i5h h ASP 121 N 0.48 -0.47 -1.40 1.04 1.82 -2.00 -2.44 116.42 113.45 3i5h h ASP 121 Ca 0.21 0.04 0.48 0.00 -0.39 0.00 0.00 57.03 57.37 3i5h h ASP 121 Cb 0.11 0.16 -0.14 0.00 0.68 0.00 0.00 39.33 40.15 3i5h h ASP 121 CO -0.14 -0.20 0.91 1.56 -1.61 0.00 0.00 179.24 179.75 3i5h h GLN 122 N -0.29 0.02 0.22 0.28 4.20 -1.83 0.15 115.11 117.87 3i5h h GLN 122 Ca -0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3i5h h GLN 122 Cb 0.26 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3i5h h GLN 122 CO -0.05 0.01 -0.11 0.00 -0.67 0.00 0.00 178.83 178.02 3i5h h ASN 124 N -0.73 -1.61 -0.37 0.00 2.35 -0.38 -1.94 115.58 112.90 3i5h h ASN 124 Ca -0.03 0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 3i5h h ASN 124 Cb 0.49 0.60 -0.08 0.00 0.05 0.00 0.00 38.32 39.38 3i5h h ASN 124 CO 0.05 -0.55 -0.54 0.44 -1.65 0.00 0.00 177.43 175.18 3i5h h ASP 125 N -0.73 -1.80 -0.78 5.81 3.32 -1.42 0.32 116.42 121.15 3i5h h ASP 125 Ca -0.00 0.24 0.15 0.00 0.02 0.00 0.00 57.03 57.43 3i5h h ASP 125 Cb 0.75 0.74 -0.10 0.00 0.22 0.00 0.00 39.33 40.94 3i5h h ASP 125 CO -0.31 -0.41 0.33 -0.29 -1.72 0.00 0.00 179.24 176.84 3i5h h ILE 126 N -0.42 0.66 -0.71 0.35 6.09 -1.27 0.35 117.51 122.56 3i5h h ILE 126 Ca 0.08 -0.16 -0.06 0.00 -1.37 0.00 0.00 64.86 63.34 3i5h h ILE 126 Cb 0.61 0.15 -0.03 0.00 0.47 0.00 0.00 36.82 38.02 3i5h h ILE 126 CO -0.57 0.09 0.19 -0.26 -3.07 0.00 0.00 178.15 174.53 3i5h h PHE 127 N 0.47 1.17 -0.42 2.19 -1.00 -0.23 -1.37 116.94 117.76 3i5h h PHE 127 Ca 0.43 -0.13 -0.13 0.00 2.81 0.00 0.00 57.97 60.95 3i5h h PHE 127 Cb 0.65 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 3i5h h PHE 127 CO -0.15 0.94 -0.26 1.15 -1.61 0.00 0.00 178.31 178.38 3i5h h THR 128 N 1.07 1.27 -0.57 -1.55 2.02 0.12 -2.80 112.91 112.48 3i5h h THR 128 Ca 0.23 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 3i5h h THR 128 Cb 0.34 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3i5h h THR 128 CO -0.00 0.48 0.11 -0.26 0.37 0.00 0.00 175.52 176.22 3i5h h PHE 129 N 0.75 0.99 -0.39 3.16 0.05 -0.03 -2.70 116.94 118.77 3i5h h PHE 129 Ca 0.09 -0.13 0.00 0.00 3.82 0.00 0.00 57.97 61.75 3i5h h PHE 129 Cb 0.82 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.50 3i5h h PHE 129 CO 0.05 0.86 0.00 0.00 -0.18 0.00 0.00 178.31 179.04 3i5h n ASP 131 N 0.54 -4.63 -4.14 0.00 2.03 -1.02 -4.93 116.55 104.40 3i5h n ASP 131 Ca 0.17 -1.09 -0.34 0.00 0.52 0.00 0.00 54.79 54.05 3i5h n ASP 131 Cb 0.70 -1.75 -0.14 0.00 -0.72 0.00 0.00 41.12 39.21 3i5h n ASP 131 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3i5h s ILE 132 N -3.20 2.79 0.56 5.18 1.01 -1.06 -5.08 121.20 121.39 3i5h s ILE 132 Ca 0.20 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.29 3i5h s ILE 132 Cb -0.11 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.73 3i5h s ILE 132 CO 0.92 -0.17 0.80 -0.13 0.00 0.00 0.00 174.94 176.36 3i5h s ARG 133 N 1.19 2.56 -0.07 2.79 1.81 -1.26 -4.88 118.95 121.09 3i5h s ARG 133 Ca -0.04 -0.67 0.03 0.00 -1.72 0.00 0.00 55.73 53.33 3i5h s ARG 133 Cb -0.20 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.85 3i5h s ARG 133 CO -0.03 -0.73 -0.18 -1.83 -0.68 0.00 0.00 175.30 171.85 3i5h s GLU 134 N -4.81 2.24 0.50 3.54 -1.05 -1.26 -4.35 118.70 113.51 3i5h s GLU 134 Ca 0.57 -0.64 -0.02 0.00 -0.15 0.00 0.00 54.97 54.72 3i5h s GLU 134 Cb -0.10 -1.79 -0.00 0.00 -0.44 0.00 0.00 34.13 31.79 3i5h s GLU 134 CO 0.39 0.14 0.76 0.34 0.95 0.00 0.00 175.26 177.84 3i5h s ASP 135 N 0.38 5.77 0.00 0.83 -1.08 0.41 -4.89 116.67 118.10 3i5h s ASP 135 Ca -0.13 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.37 3i5h s ASP 135 Cb -0.16 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 3i5h s ASP 135 CO 0.05 -0.82 0.00 -0.38 0.52 0.00 0.00 175.17 174.54 3i5h n ILE 136 N -2.27 0.00 -2.75 4.11 5.41 -1.26 -1.45 119.36 121.16 3i5h n ILE 136 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.74 3i5h n ILE 136 Cb 0.57 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.57 3i5h n ILE 136 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3i5h n ASP 137 N -0.30 0.81 -3.07 4.38 4.64 -1.26 -4.78 116.55 116.96 3i5h n ASP 137 Ca 0.00 -2.31 -0.26 0.00 -1.38 0.00 0.00 54.79 50.84 3i5h n ASP 137 Cb 0.00 -0.20 -0.05 0.00 -1.04 0.00 0.00 41.12 39.83 3i5h n ASP 137 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3i5h n GLY 138 N -0.55 5.23 0.00 0.27 0.00 -0.53 -5.06 105.19 104.55 3i5h n GLY 138 Ca 0.03 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.37 3i5h n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i5h n ASN 139 N 0.08 0.00 -4.58 1.61 3.02 -1.23 -0.45 115.26 113.71 3i5h n ASN 139 Ca 0.30 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.50 3i5h n ASN 139 Cb 0.42 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.48 3i5h n ASN 139 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i5h s ILE 140 N 0.00 4.66 -0.62 2.41 1.01 -1.14 -3.13 121.20 124.38 3i5h s ILE 140 Ca 0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 60.65 60.31 3i5h s ILE 140 Cb 0.00 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 3i5h s ILE 140 CO 0.00 0.42 1.62 -0.54 0.00 0.00 0.00 174.94 176.44 3i5h s LYS 141 N 0.78 2.93 0.35 2.79 1.02 -1.26 -2.56 119.74 123.79 3i5h s LYS 141 Ca 0.04 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.46 3i5h s LYS 141 Cb -0.13 -4.28 0.69 0.00 -0.52 0.00 0.00 37.83 33.58 3i5h s LYS 141 CO 0.02 -2.40 1.95 0.10 -0.92 0.00 0.00 175.35 174.11 3i5h h TYR 142 N 12.86 0.83 -0.50 3.18 -0.00 -1.85 0.28 116.97 131.77 3i5h h TYR 142 Ca -0.27 0.02 0.08 0.00 0.00 0.00 0.00 58.73 58.56 3i5h h TYR 142 Cb 1.12 -0.27 -0.06 0.00 0.00 0.00 0.00 36.73 37.51 3i5h h TYR 142 CO 1.06 0.44 0.14 1.49 -0.00 0.00 0.00 178.16 181.29 3i5h h GLU 143 N 0.82 0.28 0.00 0.10 4.81 -1.88 0.34 114.58 119.05 3i5h h GLU 143 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3i5h h GLU 143 Cb 0.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3i5h h GLU 143 CO -0.11 0.19 0.00 -3.47 -0.73 0.00 0.00 179.01 174.89 3i5h n ASP 144 N -5.06 0.00 -0.30 1.04 -0.08 0.05 -0.00 116.55 112.19 3i5h n ASP 144 Ca 0.05 0.80 -0.01 0.00 -1.51 0.00 0.00 54.79 54.12 3i5h n ASP 144 Cb 0.23 -0.30 0.03 0.00 2.34 0.00 0.00 41.12 43.42 3i5h n ASP 144 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3i5h n LEU 145 N -1.93 -0.52 0.03 -2.67 7.94 -0.86 -1.20 117.00 117.79 3i5h n LEU 145 Ca 0.00 1.38 -0.03 0.00 -1.11 0.00 0.00 56.01 56.25 3i5h n LEU 145 Cb 0.00 -0.31 -0.02 0.00 0.53 0.00 0.00 43.42 43.62 3i5h n LEU 145 CO 0.00 -1.24 0.50 -0.03 -1.11 0.00 0.00 177.39 175.52 3i5h h MET 146 N 0.00 -0.15 -0.32 1.96 4.05 0.17 -0.92 114.93 119.72 3i5h h MET 146 Ca 0.27 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 3i5h h MET 146 Cb 0.47 0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.24 3i5h h MET 146 CO -0.78 -0.10 -0.46 0.87 0.23 0.00 0.00 176.91 176.67 3i5h h LYS 147 N -0.16 -0.33 -0.75 0.39 1.57 0.11 -0.43 116.57 116.98 3i5h h LYS 147 Ca -0.00 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 3i5h h LYS 147 Cb 0.15 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.40 3i5h h LYS 147 CO -0.05 -0.22 -0.31 0.87 -0.57 0.00 0.00 179.45 179.18 3i5h h LYS 148 N -0.34 -0.07 0.12 3.15 1.57 -1.17 0.12 116.57 119.95 3i5h h LYS 148 Ca 0.06 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3i5h h LYS 148 Cb 0.49 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 3i5h h LYS 148 CO -0.48 -0.05 -0.47 0.28 -0.57 0.00 0.00 179.45 178.16 3i5h h VAL 149 N -0.08 0.09 0.00 0.50 2.07 0.32 0.37 116.25 119.52 3i5h h VAL 149 Ca 0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 3i5h h VAL 149 Cb 0.57 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3i5h h VAL 149 CO -0.80 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.02 3i5h n MET 150 N -5.48 0.03 0.15 1.57 2.81 -0.23 -2.49 117.12 113.49 3i5h n MET 150 Ca -0.08 0.35 0.09 0.00 -1.81 0.00 0.00 57.70 56.25 3i5h n MET 150 Cb 0.40 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.48 3i5h n MET 150 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i5h h ALA 151 N 2.18 0.76 0.00 3.04 0.00 0.22 -3.51 119.26 121.96 3i5h h ALA 151 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i5h h ALA 151 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i5h h ALA 151 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3i5h n GLY 152 N 1.18 0.39 0.19 0.00 0.00 -1.04 -4.52 105.19 101.39 3i5h n GLY 152 Ca 0.01 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.71 3i5h n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i5h h PRO 153 N 0.00 0.00 -2.61 1.61 0.13 -1.89 -3.23 132.00 126.01 3i5h h PRO 153 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 3i5h h PRO 153 Cb 0.00 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.72 3i5h h PRO 153 CO 0.00 0.00 -0.68 1.19 -0.23 0.00 0.00 178.00 178.28 3i5h n PHE 154 N -2.40 2.47 0.00 1.56 3.72 -1.26 -5.03 117.46 116.51 3i5h n PHE 154 Ca -0.01 -4.06 0.00 0.00 -0.05 0.00 0.00 57.45 53.33 3i5h n PHE 154 Cb 0.06 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 3i5h n PHE 154 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3i5h n PRO 155 N 1.68 0.00 0.00 -1.08 -0.02 -1.22 -5.18 135.00 129.18 3i5h n PRO 155 Ca 0.25 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3i5h n PRO 155 Cb 0.40 -0.41 0.12 0.00 -0.02 0.00 0.00 33.50 33.60 3i5h n PRO 155 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23